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Phosphoinositide 3-kinase regulatory subunit 5

AlphaFold DB , UniProt , Accession X6R3K3, Species HUMAN (Homo sapiens, Human), Gene PIK3R5, Length 211 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
1M34.2Very low57.3Low247 Ų247107.4 Ų107.4100%1.21763%0.632SS**  0123.20-72.5161.610000107.1
2Q33.2Very low59.7Low186 Ų186109.8 Ų109.887%0.86962%0.622SS**  trans-82.3127.7-168.6-84.9-93.4-41.700111.9
3P45.3Very low61.9Low124 Ų124101.3 Ų101.381%0.80557%0.574SS**  trans-96.684.5167.533.8-24.1000109.2
4G38.5Very low63.7Low47 Ų4797.5 Ų97.549%0.48555%0.549SS..  trans-141.32-17500000116
5A44.5Very low65.4Low90 Ų9099 Ų9974%0.74455%0.55SS*.SBendtrans-102.1-14.6-173.900000114.5
6T52.9Low66.7Low98 Ų9894 Ų9460%0.60153%0.525SS*.SBendtrans-96.9-24.4-176.3530000114C8 T9 E10T6-C8 PolarHBondContact O-N 2.8Å; T6-T9 PolarHBondContact O-N 3.21Å; T6-E10 WeakPolarHBondContact O-CB 3.31Å; T6-E10 PolarHBondContact O-N 3.24Å
7T60.1Low68Low72 Ų7288.5 Ų88.544%0.44249%0.494SS..Hα-helixtrans-64.7-40.9-175.844.70000112.8T9 E10 D11T7-T9 VanDerWaalsContact C-N 3.31Å; T7-T9 PolarHBondContact O-N 3.44Å; T7-E10 PolarHBondContact O-N 3.01Å; T7-D11 WeakPolarHBondContact O-CB 3.41Å; T7-D11 PolarHBondContact O-N 3.31Å
8C69.3Low69Low84 Ų8486.3 Ų86.357%0.56848%0.479SS*.Hα-helixtrans-59.9-38.6-178.4-176.80000113.4T6 R12T6-C8 PolarHBondContact O-N 2.8Å; C8-R12 VanDerWaalsContact O-CG 3.22Å; C8-R12 WeakPolarHBondContact O-CG 3.28Å; C8-R12 PolarHBondContact O-N 2.83Å
9T81.7Confident69.8Low41 Ų4189.4 Ų89.425%0.25248%0.483SS..Hα-helixtrans-79.8-40.2-180-53.20000111.4T6 T7 D11 R12 I13 H54T6-T9 PolarHBondContact O-N 3.21Å; T7-T9 VanDerWaalsContact C-N 3.31Å; T7-T9 PolarHBondContact O-N 3.44Å; T9-D11 PolarHBondContact O-N 3Å; T9-R12 WeakPolarHBondContact O-CB 3.5Å; T9-R12 PolarHBondContact O-N 3.42Å; T9-I13 HydrophobicContact CG2-CD1 4.16Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 2.94Å; T9-H54 VanDerWaalsContact CG2-NE2 3.34Å; T9-H54 WeakPolarHBondContact CG2-NE2 3.35Å
10E84.5Confident70.3Confident86 Ų8684.9 Ų84.940%0.40246%0.459SS..Hα-helixtrans-59-45.2175.4-174176.1176.600111.8T6 T7 R12 I13 Q14 I57 Q61T6-E10 WeakPolarHBondContact O-CB 3.31Å; T6-E10 PolarHBondContact O-N 3.24Å; T7-E10 PolarHBondContact O-N 3.01Å; E10-R12 VanDerWaalsContact C-N 3.31Å; E10-R12 PolarHBondContact O-N 3.03Å; E10-I13 PolarHBondContact O-N 3.38Å; E10-Q14 WeakPolarHBondContact O-CB 3.44Å; E10-Q14 PolarHBondContact O-N 3.49Å; E10-I57 HydrophobicContact CB-CG2 4.38Å; E10-I57 HydrophobicContact CG-CG2 3.95Å; E10-Q61 PolarHBondContact O-NE2 3.37Å
11D86.1Confident70.7Confident106 Ų10681.2 Ų81.257%0.56744%0.439SS*.Hα-helixtrans-61.6-37.2175.6-84.7-65.2000112.2T7 T9 Q14 H15T7-D11 WeakPolarHBondContact O-CB 3.41Å; T7-D11 PolarHBondContact O-N 3.31Å; T9-D11 PolarHBondContact O-N 3Å; D11-Q14 PolarHBondContact O-N 3.27Å; D11-H15 VanDerWaalsContact O-CB 3.27Å; D11-H15 WeakPolarHBondContact O-CB 3.3Å; D11-H15 PolarHBondContact O-N 2.84Å
12R86.2Confident72.8Confident136 Ų13675.4 Ų75.451%0.51341%0.408SS..Hα-helixtrans-68.6-40.8176.9-74176.968.9-168.71.1112.2C8 T9 E10 A16 L47C8-R12 VanDerWaalsContact O-CG 3.22Å; C8-R12 WeakPolarHBondContact O-CG 3.28Å; C8-R12 PolarHBondContact O-N 2.83Å; T9-R12 WeakPolarHBondContact O-CB 3.5Å; T9-R12 PolarHBondContact O-N 3.42Å; E10-R12 VanDerWaalsContact C-N 3.31Å; E10-R12 PolarHBondContact O-N 3.03Å; R12-A16 WeakPolarHBondContact O-CB 3.4Å; R12-A16 PolarHBondContact O-N 3.42Å; R12-L47 HydrophobicContact CB-CD2 4.39Å
13I87.9Confident74.4Confident0 Ų067.5 Ų67.50%038%0.377CS..Hα-helixtrans-65-44.9175.5-64.6168.2000109.2T9 E10 H15 A16 L17 L44 L47 H54 I57 L58T9-I13 HydrophobicContact CG2-CD1 4.16Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 2.94Å; E10-I13 PolarHBondContact O-N 3.38Å; I13-H15 PolarHBondContact O-N 3.49Å; I13-A16 PolarHBondContact O-N 2.88Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 PolarHBondContact O-N 3.05Å; I13-L44 HydrophobicContact CG2-CD1 4.34Å; I13-L47 HydrophobicContact CG1-CD2 3.79Å; I13-L47 HydrophobicContact CG1-CG 4.37Å; I13-H54 HydrophobicContact CD1-CB 3.86Å; I13-I57 HydrophobicContact CD1-CB 4.32Å; I13-I57 HydrophobicContact CD1-CG2 4.11Å; I13-L58 HydrophobicContact CG2-CB 3.85Å; I13-L58 HydrophobicContact CG2-CD1 3.72Å; I13-L58 HydrophobicContact CG2-CG 4.3Å
14Q88.1Confident75.4Confident48 Ų4863.1 Ų63.122%0.22435%0.346CS..Hα-helixtrans-61.3-46.7178.7-173.171.5-35.900111.2E10 D11 A16 L17 E18 Q61 K65E10-Q14 WeakPolarHBondContact O-CB 3.44Å; E10-Q14 PolarHBondContact O-N 3.49Å; D11-Q14 PolarHBondContact O-N 3.27Å; Q14-A16 VanDerWaalsContact C-N 3.32Å; Q14-A16 PolarHBondContact O-N 3.32Å; Q14-L17 PolarHBondContact O-N 3.19Å; Q14-E18 WeakPolarHBondContact O-CG 3.39Å; Q14-E18 PolarHBondContact O-N 3.36Å; Q14-Q61 VanDerWaalsContact OE1-CD 3.27Å; Q14-Q61 VanDerWaalsContact OE1-OE1 3.12Å; Q14-K65 VanDerWaalsContact NE2-CE 3.35Å
15H88.1Confident76.6Confident120 Ų12062.7 Ų62.756%0.55634%0.336SS*.Hα-helixtrans-61.1-42.1177.7-175.579.5000111.9D11 I13 R19D11-H15 VanDerWaalsContact O-CB 3.27Å; D11-H15 WeakPolarHBondContact O-CB 3.3Å; D11-H15 PolarHBondContact O-N 2.84Å; I13-H15 PolarHBondContact O-N 3.49Å; H15-R19 WeakPolarHBondContact O-CB 3.4Å; H15-R19 PolarHBondContact O-N 3.45Å
16A87.1Confident77.1Confident19 Ų1965.7 Ų65.716%0.15734%0.339CS..Hα-helixtrans-66.7-38.5176.900000112.1R12 I13 Q14 R19 C20 L44R12-A16 WeakPolarHBondContact O-CB 3.4Å; R12-A16 PolarHBondContact O-N 3.42Å; I13-A16 PolarHBondContact O-N 2.88Å; Q14-A16 VanDerWaalsContact C-N 3.32Å; Q14-A16 PolarHBondContact O-N 3.32Å; A16-R19 PolarHBondContact O-N 3.41Å; A16-C20 PolarHBondContact O-N 3.41Å; A16-C20 PolarHBondContact O-SG 3.48Å; A16-L44 HydrophobicContact CB-CD1 3.62Å
17L87.9Confident77Confident0 Ų062.7 Ų62.70%032%0.322CS..Hα-helixtrans-62.4-50.7174.3175.462.4000111.2I13 Q14 R19 C20 L21 L58 Q61 I62 K65 L84I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 PolarHBondContact O-N 3.05Å; Q14-L17 PolarHBondContact O-N 3.19Å; L17-R19 PolarHBondContact O-N 3.5Å; L17-C20 WeakPolarHBondContact O-CA 3.26Å; L17-C20 VanDerWaalsContact O-CB 3.31Å; L17-C20 WeakPolarHBondContact O-CB 3.25Å; L17-C20 PolarHBondContact O-N 3.48Å; L17-L21 HydrophobicContact CD1-CD1 4.32Å; L17-L21 HydrophobicContact CD1-CG 4.35Å; L17-L21 HydrophobicContact CG-CD1 4.17Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.96Å; L17-L58 HydrophobicContact CB-CD1 4.27Å; L17-L58 HydrophobicContact CD1-CD1 4.25Å; L17-L58 HydrophobicContact CD2-CD1 4.22Å; L17-L58 HydrophobicContact CG-CD1 4.48Å; L17-Q61 HydrophobicContact CD2-CB 3.96Å; L17-I62 HydrophobicContact CD1-CG1 3.9Å; L17-I62 HydrophobicContact CD2-CG1 3.94Å; L17-K65 HydrophobicContact CD2-CG 4.28Å; L17-L84 HydrophobicContact CD1-CD1 3.82Å
18E87Confident76.5Confident49 Ų4967 Ų6723%0.22933%0.33CS..Hα-helixtrans-57.7-40.5176.6-73.4-64.3163.300111.2Q14 C20 L21 H22 K65Q14-E18 WeakPolarHBondContact O-CG 3.39Å; Q14-E18 PolarHBondContact O-N 3.36Å; E18-C20 VanDerWaalsContact C-N 3.29Å; E18-C20 PolarHBondContact O-N 3.31Å; E18-L21 PolarHBondContact O-N 3.19Å; E18-H22 WeakPolarHBondContact O-CB 3.46Å; E18-H22 PolarHBondContact O-CD2 2.96Å; E18-H22 PolarHBondContact O-N 2.88Å; E18-K65 WeakPolarHBondContact OE1-CD 3.46Å; E18-K65 WeakPolarHBondContact OE1-CE 3.38Å; E18-K65 IonicContact OE1-NZ 2.71Å; E18-K65 PolarHBondContact OE1-NZ 3.29Å
19R83.1Confident75.2Confident145 Ų14574.6 Ų74.655%0.54735%0.347SS..Hα-helixtrans-63.1-34.3175.9-153.2-174.4-172.2933.3112.7H15 A16 L17 G23H15-R19 WeakPolarHBondContact O-CB 3.4Å; H15-R19 PolarHBondContact O-N 3.45Å; A16-R19 PolarHBondContact O-N 3.41Å; L17-R19 PolarHBondContact O-N 3.5Å; R19-G23 PolarHBondContact O-N 3.36Å
20C80.9Confident73.2Confident0 Ų075.8 Ų75.80%036%0.357CS..Hα-helixtrans-67.6-46.4172.4-63.70000111.1A16 L17 E18 G23 L24 N40 L84A16-C20 PolarHBondContact O-N 3.41Å; A16-C20 PolarHBondContact O-SG 3.48Å; L17-C20 WeakPolarHBondContact O-CA 3.26Å; L17-C20 VanDerWaalsContact O-CB 3.31Å; L17-C20 WeakPolarHBondContact O-CB 3.25Å; L17-C20 PolarHBondContact O-N 3.48Å; E18-C20 VanDerWaalsContact C-N 3.29Å; E18-C20 PolarHBondContact O-N 3.31Å; C20-G23 PolarHBondContact O-N 3.18Å; C20-L24 WeakPolarHBondContact O-CD1 3.39Å; C20-L24 WeakPolarHBondContact O-CG 3.47Å; C20-L24 PolarHBondContact O-N 3.04Å; C20-L24 VanDerWaalsContact O-N 3.11Å; C20-N40 VanDerWaalsContact SG-C 3.57Å; C20-L84 HydrophobicContact CB-CD1 4.49Å
21L79.1Confident71.5Confident8 Ų879.1 Ų79.14%0.04238%0.383CS..Hα-helixtrans-66.2-38.7-179.1-65.2175.2000112.7L17 E18 G23 L24 S25 L77 P80 L81 L84L17-L21 HydrophobicContact CD1-CD1 4.32Å; L17-L21 HydrophobicContact CD1-CG 4.35Å; L17-L21 HydrophobicContact CG-CD1 4.17Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.96Å; E18-L21 PolarHBondContact O-N 3.19Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 3.11Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-L24 VanDerWaalsContact O-N 3.17Å; L21-S25 PolarHBondContact O-N 3.05Å; L21-S25 PolarHBondContact O-OG 3.3Å; L21-L77 HydrophobicContact CB-CD2 4.47Å; L21-P80 HydrophobicContact CD2-CB 4.47Å; L21-L81 HydrophobicContact CD1-CD2 3.93Å; L21-L81 HydrophobicContact CD2-CD2 3.78Å; L21-L81 HydrophobicContact CD2-CG 3.93Å; L21-L81 HydrophobicContact CG-CD2 4.49Å; L21-L84 HydrophobicContact CD2-CD1 3.94Å
22H77.6Confident69.7Low124 Ų12477.5 Ų77.557%0.57438%0.38SS*.Hα-helixtrans-62.6-36.4172.5-78.4-60.6000112.5E18 L24 S25 L26E18-H22 WeakPolarHBondContact O-CB 3.46Å; E18-H22 PolarHBondContact O-CD2 2.96Å; E18-H22 PolarHBondContact O-N 2.88Å; H22-L24 VanDerWaalsContact C-N 3.32Å; H22-S25 PolarHBondContact O-OG 3.43Å; H22-L26 PolarHBondContact O-N 2.87Å
23G67.4Low68.2Low20 Ų2074.7 Ų74.721%0.20637%0.369CS..Hα-helixtrans-66.1-34.5173.300000112.9R19 C20 L21R19-G23 PolarHBondContact O-N 3.36Å; C20-G23 PolarHBondContact O-N 3.18Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 3.11Å
24L65.3Low66.7Low32 Ų3277 Ų7717%0.16839%0.386CS..Hα-helixtrans-76.9-41.1-179.2-71.1155.3000112.4C20 L21 H22 L26 S27 L37 P80 L84C20-L24 WeakPolarHBondContact O-CD1 3.39Å; C20-L24 WeakPolarHBondContact O-CG 3.47Å; C20-L24 PolarHBondContact O-N 3.04Å; C20-L24 VanDerWaalsContact O-N 3.11Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-L24 VanDerWaalsContact O-N 3.17Å; H22-L24 VanDerWaalsContact C-N 3.32Å; L24-L26 VanDerWaalsContact C-N 3.28Å; L24-L26 PolarHBondContact O-N 2.65Å; L24-S27 PolarHBondContact O-N 3.45Å; L24-L37 HydrophobicContact CD1-CD1 3.99Å; L24-L37 HydrophobicContact CD2-CD1 3.89Å; L24-L37 HydrophobicContact CD2-CD2 3.36Å; L24-L37 HydrophobicContact CD2-CG 4.23Å; L24-L37 HydrophobicContact CG-CD1 3.57Å; L24-L37 HydrophobicContact CG-CD2 4.02Å; L24-L37 HydrophobicContact CG-CG 4.43Å; L24-P80 HydrophobicContact CB-CB 3.81Å; L24-P80 HydrophobicContact CB-CG 4.11Å; L24-P80 HydrophobicContact CD1-CB 3.28Å; L24-P80 HydrophobicContact CD1-CG 4.39Å; L24-P80 HydrophobicContact CD2-CB 3.99Å; L24-P80 HydrophobicContact CG-CB 3.83Å; L24-L84 HydrophobicContact CD1-CD1 4.4Å
25S63.6Low65.6Low39 Ų3978.2 Ų78.227%0.27340%0.404SS..Hα-helixtrans-66-30.6-18065.80000113.1L21 H22L21-S25 PolarHBondContact O-N 3.05Å; L21-S25 PolarHBondContact O-OG 3.3Å; H22-S25 PolarHBondContact O-OG 3.43Å
26L55.6Low64.5Low153 Ų15374.2 Ų74.280%0.80140%0.395SS*.Hα-helixtrans-81.4-21.1178.8-145.973.9000113.2H22 L24 R28H22-L26 PolarHBondContact O-N 2.87Å; L24-L26 VanDerWaalsContact C-N 3.28Å; L24-L26 PolarHBondContact O-N 2.65Å; L26-R28 PolarHBondContact O-N 3.46Å; L26-R28 VanDerWaalsContact O-N 3.11Å
27S51.5Low63.6Low34 Ų3473.3 Ų73.324%0.23839%0.388CS..THydrogen-bonded Turntrans-80.116.8-175.8-1550000114.5L24 R29L24-S27 PolarHBondContact O-N 3.45Å; S27-R29 PolarHBondContact O-N 3.05Å
28R48.7Very low62.7Low162 Ų16274.4 Ų74.461%0.61140%0.395SS*.THydrogen-bonded Turntrans-60.4-0.2-179.8-150.2-173.1-63.8-135.7-3.7114.9L26 D76L26-R28 PolarHBondContact O-N 3.46Å; L26-R28 VanDerWaalsContact O-N 3.11Å; R28-D76 IonicContact CZ-OD1 2.65Å; R28-D76 IonicContact CZ-OD2 2.74Å; R28-D76 IonicContact NE-OD1 3.13Å; R28-D76 IonicContact NH1-OD1 2.68Å; R28-D76 PolarHBondContact NH1-OD1 2.94Å; R28-D76 IonicContact NH1-OD2 3.16Å; R28-D76 PolarHBondContact NH1-OD2 3.48Å; R28-D76 IonicContact NH2-OD1 3.46Å; R28-D76 PolarHBondContact NH2-OD1 3.08Å; R28-D76 IonicContact NH2-OD2 2.74Å; R28-D76 PolarHBondContact NH2-OD2 3.28Å
29R42.3Very low62.1Low245 Ų24577.7 Ų77.793%0.92541%0.413SS*.THydrogen-bonded Turntrans-138.45.1-170.3-82.6-175-89.3178.9-7.2116.1S27S27-R29 PolarHBondContact O-N 3.05Å
30S40.2Very low62Low66 Ų6672.7 Ų72.746%0.46240%0.398SS..  trans-136.2122.9176.2-171.40000110.6S32S30-S32 PolarHBondContact O-N 3.39Å; S30-S32 PolarHBondContact OG-N 3.08Å
31T47.8Very low61.8Low156 Ų15673.6 Ų73.696%0.95740%0.403SS*.SBendtrans-64.3-0.1172.448.70000113.1
32S48.9Very low61.6Low71 Ų7178.1 Ų78.150%0.49742%0.42SS..SBendtrans-100112.4171.5109.70000108.9S30 S34S30-S32 PolarHBondContact O-N 3.39Å; S30-S32 PolarHBondContact OG-N 3.08Å; S32-S34 PolarHBondContact O-N 2.91Å
33W53.6Low61.9Low77 Ų7775.7 Ų75.729%0.29242%0.417SS..  trans-49.8114.7159.3-91.228.2000108.6A35 L37 W202 L206W33-A35 PolarHBondContact O-N 3.23Å; W33-L37 HydrophobicContact CD2-CD2 3.98Å; W33-L37 HydrophobicContact CE3-CD2 4.29Å; W33-L37 HydrophobicContact CG-CD2 4.25Å; W33-L37 HydrophobicContact CZ2-CD2 4.26Å; W33-W202 HydrophobicContact CZ3-CB 4.35Å; W33-L206 HydrophobicContact CD2-CD1 4.19Å; W33-L206 HydrophobicContact CE3-CD1 4.05Å; W33-L206 HydrophobicContact CH2-CD1 3Å; W33-L206 HydrophobicContact CH2-CG 4.37Å; W33-L206 HydrophobicContact CZ2-CD1 3.11Å; W33-L206 HydrophobicContact CZ2-CD2 4.28Å; W33-L206 HydrophobicContact CZ2-CG 4.28Å; W33-L206 HydrophobicContact CZ3-CD1 3.47Å; W33-L206 VanDerWaalsContact CZ3-CD1 3.47Å
34S58.1Low62.7Low49 Ų4975 Ų7534%0.34341%0.409SS..  trans-63.1136.7-176.861.80000108.9S32 G36 L37 C38S32-S34 PolarHBondContact O-N 2.91Å; S34-G36 PolarHBondContact O-N 2.93Å; S34-L37 WeakPolarHBondContact O-CB 3.37Å; S34-L37 PolarHBondContact O-N 2.86Å; S34-L37 PolarHBondContact OG-N 3.43Å; S34-C38 PolarHBondContact O-N 3.35Å
35A63.3Low63.4Low74 Ų7475.4 Ų75.461%0.61241%0.41SS*.Hα-helixtrans-51.4-29.9176.200000112.1W33 C38 L39W33-A35 PolarHBondContact O-N 3.23Å; A35-C38 PolarHBondContact O-N 3.17Å; A35-L39 VanDerWaalsContact O-CG 3.24Å; A35-L39 WeakPolarHBondContact O-CG 3.26Å; A35-L39 PolarHBondContact O-N 3.34Å
36G66.5Low64.3Low35 Ų3578 Ų7836%0.36142%0.417SS..Hα-helixtrans-63.4-38.4173.700000114.4S34 L39 N40S34-G36 PolarHBondContact O-N 2.93Å; G36-L39 PolarHBondContact O-N 3.01Å; G36-N40 PolarHBondContact O-N 3.31Å; G36-N40 PolarHBondContact O-ND2 2.89Å
37L68.1Low65.6Low1 Ų171.7 Ų71.71%0.00538%0.384CS..Hα-helixtrans-65.3-46.7174.617665.5000111.3L24 W33 S34 L39 N40 C41L24-L37 HydrophobicContact CD1-CD1 3.99Å; L24-L37 HydrophobicContact CD2-CD1 3.89Å; L24-L37 HydrophobicContact CD2-CD2 3.36Å; L24-L37 HydrophobicContact CD2-CG 4.23Å; L24-L37 HydrophobicContact CG-CD1 3.57Å; L24-L37 HydrophobicContact CG-CD2 4.02Å; L24-L37 HydrophobicContact CG-CG 4.43Å; W33-L37 HydrophobicContact CD2-CD2 3.98Å; W33-L37 HydrophobicContact CE3-CD2 4.29Å; W33-L37 HydrophobicContact CG-CD2 4.25Å; W33-L37 HydrophobicContact CZ2-CD2 4.26Å; S34-L37 WeakPolarHBondContact O-CB 3.37Å; S34-L37 PolarHBondContact O-N 2.86Å; S34-L37 PolarHBondContact OG-N 3.43Å; L37-L39 VanDerWaalsContact C-N 3.27Å; L37-L39 PolarHBondContact O-N 3.28Å; L37-N40 PolarHBondContact O-N 2.81Å; L37-N40 VanDerWaalsContact O-N 3.11Å; L37-C41 PolarHBondContact O-N 2.86Å; L37-C41 PolarHBondContact O-SG 2.84Å
38C68.7Low67.1Low22 Ų2270 Ų7015%0.14937%0.373CS..Hα-helixtrans-58.3-40.6177.3-66.80000111.9S34 A35 W42S34-C38 PolarHBondContact O-N 3.35Å; A35-C38 PolarHBondContact O-N 3.17Å; C38-W42 VanDerWaalsContact O-CB 3.26Å; C38-W42 WeakPolarHBondContact O-CB 3.44Å; C38-W42 PolarHBondContact O-N 2.89Å
39L73.1Confident68.5Low118 Ų11865.3 Ų65.362%0.61837%0.365SS*.Hα-helixtrans-66.7-39.4175.2-71.3169.4000112.4A35 G36 L37 W42 S43A35-L39 VanDerWaalsContact O-CG 3.24Å; A35-L39 WeakPolarHBondContact O-CG 3.26Å; A35-L39 PolarHBondContact O-N 3.34Å; G36-L39 PolarHBondContact O-N 3.01Å; L37-L39 VanDerWaalsContact C-N 3.27Å; L37-L39 PolarHBondContact O-N 3.28Å; L39-W42 PolarHBondContact O-N 3.23Å; L39-S43 VanDerWaalsContact O-CB 3.29Å; L39-S43 WeakPolarHBondContact O-CB 3.4Å; L39-S43 PolarHBondContact O-N 3.25Å
40N82.1Confident70.3Confident41 Ų4162.7 Ų62.722%0.21936%0.355CS..Hα-helixtrans-65.9-46.5177-68.5-27.7000111.3C20 G36 L37 W42 S43 L44C20-N40 VanDerWaalsContact SG-C 3.57Å; G36-N40 PolarHBondContact O-N 3.31Å; G36-N40 PolarHBondContact O-ND2 2.89Å; L37-N40 PolarHBondContact O-N 2.81Å; L37-N40 VanDerWaalsContact O-N 3.11Å; N40-W42 VanDerWaalsContact C-N 3.33Å; N40-W42 PolarHBondContact O-N 2.92Å; N40-S43 PolarHBondContact O-N 2.99Å; N40-L44 WeakPolarHBondContact O-CB 3.5Å; N40-L44 PolarHBondContact O-N 3.28Å
41C76.3Confident72Confident18 Ų1863 Ų6312%0.12235%0.351CS..Hα-helixtrans-62.9-40.6176.1-670000111.7L37 L44 Q45L37-C41 PolarHBondContact O-N 2.86Å; L37-C41 PolarHBondContact O-SG 2.84Å; C41-L44 PolarHBondContact O-N 3.14Å; C41-Q45 WeakPolarHBondContact O-CB 3.27Å; C41-Q45 PolarHBondContact O-N 3.41Å
42W76.1Confident73.1Confident104 Ų10459.4 Ų59.439%0.39433%0.331SS..Hα-helixtrans-61.3-48.3173.8-177.7-77000111.6C38 L39 N40 L44 Q45 E46C38-W42 VanDerWaalsContact O-CB 3.26Å; C38-W42 WeakPolarHBondContact O-CB 3.44Å; C38-W42 PolarHBondContact O-N 2.89Å; L39-W42 PolarHBondContact O-N 3.23Å; N40-W42 VanDerWaalsContact C-N 3.33Å; N40-W42 PolarHBondContact O-N 2.92Å; W42-L44 VanDerWaalsContact C-N 3.32Å; W42-L44 PolarHBondContact O-N 2.88Å; W42-Q45 PolarHBondContact O-N 2.73Å; W42-E46 VanDerWaalsContact NE1-CG 3.29Å; W42-E46 WeakPolarHBondContact O-CB 3.32Å; W42-E46 WeakPolarHBondContact O-CG 3.3Å; W42-E46 PolarHBondContact O-N 2.97Å
43S82Confident74.4Confident73 Ų7357.3 Ų57.351%0.5132%0.32SS..Hα-helixtrans-60.7-41.8179.1-174.70000112L39 N40 E46 L47L39-S43 VanDerWaalsContact O-CB 3.29Å; L39-S43 WeakPolarHBondContact O-CB 3.4Å; L39-S43 PolarHBondContact O-N 3.25Å; N40-S43 PolarHBondContact O-N 2.99Å; S43-E46 PolarHBondContact O-N 3.42Å; S43-L47 WeakPolarHBondContact O-CB 3.28Å; S43-L47 PolarHBondContact O-N 2.94Å
44L84.3Confident75.9Confident6 Ų655.3 Ų55.33%0.03131%0.314CS..Hα-helixtrans-61.4-47.6173.4-178.568.5000110.9I13 A16 N40 C41 W42 E46 L47 V48 L58I13-L44 HydrophobicContact CG2-CD1 4.34Å; A16-L44 HydrophobicContact CB-CD1 3.62Å; N40-L44 WeakPolarHBondContact O-CB 3.5Å; N40-L44 PolarHBondContact O-N 3.28Å; C41-L44 PolarHBondContact O-N 3.14Å; W42-L44 VanDerWaalsContact C-N 3.32Å; W42-L44 PolarHBondContact O-N 2.88Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.09Å; L44-L47 WeakPolarHBondContact O-CB 3.35Å; L44-L47 PolarHBondContact O-N 3.43Å; L44-V48 HydrophobicContact CD1-CG2 4.41Å; L44-V48 WeakPolarHBondContact O-CB 3.44Å; L44-V48 WeakPolarHBondContact O-CG2 3.26Å; L44-V48 PolarHBondContact O-N 3.42Å; L44-L58 HydrophobicContact CD1-CD1 4.13Å; L44-L58 HydrophobicContact CD1-CD2 4.16Å; L44-L58 HydrophobicContact CD2-CD1 4.15Å; L44-L58 HydrophobicContact CD2-CD2 3.9Å; L44-L58 HydrophobicContact CG-CD2 3.91Å
45Q81.1Confident77.1Confident39 Ų3953.5 Ų53.518%0.18230%0.3CS..Hα-helixtrans-62.2-41.6178.6-172.1171.14.100111.8C41 W42 V48 S49 C91C41-Q45 WeakPolarHBondContact O-CB 3.27Å; C41-Q45 PolarHBondContact O-N 3.41Å; W42-Q45 PolarHBondContact O-N 2.73Å; Q45-V48 PolarHBondContact O-N 2.96Å; Q45-S49 VanDerWaalsContact O-CB 3.27Å; Q45-S49 WeakPolarHBondContact O-CB 3.19Å; Q45-S49 PolarHBondContact O-N 3.21Å; Q45-S49 PolarHBondContact O-OG 3.06Å; Q45-C91 PolarHBondContact NE2-SG 3.11Å
46E81.9Confident78Confident94 Ų9452 Ų5244%0.43928%0.281SS..Hα-helixtrans-65-40.7175.7-77.8-63.6123.200112.5W42 S43 L44 V48 S49 R50W42-E46 VanDerWaalsContact NE1-CG 3.29Å; W42-E46 WeakPolarHBondContact O-CB 3.32Å; W42-E46 WeakPolarHBondContact O-CG 3.3Å; W42-E46 PolarHBondContact O-N 2.97Å; S43-E46 PolarHBondContact O-N 3.42Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.09Å; E46-V48 VanDerWaalsContact C-N 3.26Å; E46-V48 PolarHBondContact O-N 3.4Å; E46-S49 PolarHBondContact O-N 3.28Å; E46-R50 WeakPolarHBondContact O-CG 3.27Å
47L82.9Confident79Confident20 Ų2052.8 Ų52.811%0.10528%0.277CS..Hα-helixtrans-59.3-43.2176.4179.966.3000110.9R12 I13 S43 L44R12-L47 HydrophobicContact CB-CD2 4.39Å; I13-L47 HydrophobicContact CG1-CD2 3.79Å; I13-L47 HydrophobicContact CG1-CG 4.37Å; S43-L47 WeakPolarHBondContact O-CB 3.28Å; S43-L47 PolarHBondContact O-N 2.94Å; L44-L47 WeakPolarHBondContact O-CB 3.35Å; L44-L47 PolarHBondContact O-N 3.43Å
48V83.1Confident79.9Confident0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-80.3-31.2-175.3179.70000111.3L44 Q45 E46 R50 D51 H54 F55 L58L44-V48 HydrophobicContact CD1-CG2 4.41Å; L44-V48 WeakPolarHBondContact O-CB 3.44Å; L44-V48 WeakPolarHBondContact O-CG2 3.26Å; L44-V48 PolarHBondContact O-N 3.42Å; Q45-V48 PolarHBondContact O-N 2.96Å; E46-V48 VanDerWaalsContact C-N 3.26Å; E46-V48 PolarHBondContact O-N 3.4Å; V48-R50 PolarHBondContact O-N 3.31Å; V48-R50 VanDerWaalsContact O-N 3.08Å; V48-D51 PolarHBondContact O-N 3.38Å; V48-H54 HydrophobicContact CB-CB 4.29Å; V48-H54 HydrophobicContact CG1-CB 3.91Å; V48-H54 HydrophobicContact CG2-CB 4.45Å; V48-F55 HydrophobicContact CB-CD1 4.39Å; V48-F55 HydrophobicContact CB-CE1 4.21Å; V48-F55 HydrophobicContact CB-CZ 4.35Å; V48-F55 HydrophobicContact CG1-CB 3.9Å; V48-F55 HydrophobicContact CG1-CD1 3.24Å; V48-F55 HydrophobicContact CG1-CD2 3.58Å; V48-F55 HydrophobicContact CG1-CE1 3.47Å; V48-F55 VanDerWaalsContact CG1-CE1 3.47Å; V48-F55 HydrophobicContact CG1-CE2 3.83Å; V48-F55 HydrophobicContact CG1-CG 3.28Å; V48-F55 HydrophobicContact CG1-CZ 3.77Å; V48-F55 VanDerWaalsContact CG1-N 3.31Å; V48-F55 VanDerWaalsContact O-CE2 3.25Å; V48-F55 WeakPolarHBondContact O-CE2 3.49Å; V48-L58 HydrophobicContact CG1-CD2 4.49Å; V48-L58 HydrophobicContact CG2-CB 4.29Å; V48-L58 HydrophobicContact CG2-CD2 3.76Å
49S78.9Confident80.8Confident62 Ų6251.9 Ų51.943%0.43427%0.27SS..Hα-helixtrans-64.1-14.8176.9-62.20000114Q45 E46 D51Q45-S49 VanDerWaalsContact O-CB 3.27Å; Q45-S49 WeakPolarHBondContact O-CB 3.19Å; Q45-S49 PolarHBondContact O-N 3.21Å; Q45-S49 PolarHBondContact O-OG 3.06Å; E46-S49 PolarHBondContact O-N 3.28Å; S49-D51 VanDerWaalsContact C-N 3.33Å
50R78.6Confident81.5Confident190 Ų19050.8 Ų50.872%0.71726%0.262SS*.THydrogen-bonded Turntrans-69.3-29.9177.7-67.2174.7-177.8-155.2-2.9113.4E46 V48E46-R50 WeakPolarHBondContact O-CG 3.27Å; V48-R50 PolarHBondContact O-N 3.31Å; V48-R50 VanDerWaalsContact O-N 3.08Å
51D77.7Confident81.8Confident73 Ų7349.3 Ų49.339%0.3925%0.254SS..  trans-144.4127.1-178.8-166.5-54000109.9V48 S49 G53 H54V48-D51 PolarHBondContact O-N 3.38Å; S49-D51 VanDerWaalsContact C-N 3.33Å; D51-G53 PolarHBondContact O-N 3.31Å; D51-G53 VanDerWaalsContact O-N 3.14Å; D51-G53 WeakPolarHBondContact OD1-CA 3.37Å; D51-G53 PolarHBondContact OD1-N 3.32Å; D51-H54 WeakPolarHBondContact CB-CE1 3.39Å; D51-H54 WeakPolarHBondContact CB-ND1 3.29Å; D51-H54 WeakPolarHBondContact O-CB 3.07Å; D51-H54 PolarHBondContact O-N 2.87Å
52P70.5Confident82.5Confident81 Ų8148.5 Ų48.553%0.52625%0.248SC..Hα-helixtrans-56.7-28.9177.424.5-34.3000113.3H54 F55 P93P52-H54 VanDerWaalsContact C-N 3.35Å; P52-F55 PolarHBondContact O-N 3.21Å; P52-P93 HydrophobicContact CB-CG 4.37Å
53G76.3Confident83Confident27 Ų2743.6 Ų43.628%0.27823%0.23SC..Hα-helixtrans-68.7-28.9176.300000113.7D51 F55 L56 I57D51-G53 PolarHBondContact O-N 3.31Å; D51-G53 VanDerWaalsContact O-N 3.14Å; D51-G53 WeakPolarHBondContact OD1-CA 3.37Å; D51-G53 PolarHBondContact OD1-N 3.32Å; G53-F55 PolarHBondContact O-N 3.4Å; G53-L56 WeakPolarHBondContact O-CB 3.24Å; G53-L56 PolarHBondContact O-N 3.25Å; G53-L56 VanDerWaalsContact O-N 3.16Å; G53-I57 PolarHBondContact O-N 3.03Å
54H85.2Confident83.4Confident34 Ų3444.4 Ų44.416%0.15723%0.226CC..Hα-helixtrans-65.3-27.7177-64156.4000112.3T9 I13 V48 D51 P52 L56 I57 L58T9-H54 VanDerWaalsContact CG2-NE2 3.34Å; T9-H54 WeakPolarHBondContact CG2-NE2 3.35Å; I13-H54 HydrophobicContact CD1-CB 3.86Å; V48-H54 HydrophobicContact CB-CB 4.29Å; V48-H54 HydrophobicContact CG1-CB 3.91Å; V48-H54 HydrophobicContact CG2-CB 4.45Å; D51-H54 WeakPolarHBondContact CB-CE1 3.39Å; D51-H54 WeakPolarHBondContact CB-ND1 3.29Å; D51-H54 WeakPolarHBondContact O-CB 3.07Å; D51-H54 PolarHBondContact O-N 2.87Å; P52-H54 VanDerWaalsContact C-N 3.35Å; H54-L56 VanDerWaalsContact C-N 3.29Å; H54-L56 PolarHBondContact O-N 3.4Å; H54-I57 PolarHBondContact O-N 3.07Å; H54-L58 WeakPolarHBondContact O-CB 3.1Å; H54-L58 PolarHBondContact O-N 3.24Å
55F82.5Confident83.5Confident12 Ų1245.5 Ų45.55%0.05323%0.23CC..Hα-helixtrans-65.1-38.1176.4-73.8-82.5000110.9V48 P52 G53 L58 L59 C91V48-F55 HydrophobicContact CB-CD1 4.39Å; V48-F55 HydrophobicContact CB-CE1 4.21Å; V48-F55 HydrophobicContact CB-CZ 4.35Å; V48-F55 HydrophobicContact CG1-CB 3.9Å; V48-F55 HydrophobicContact CG1-CD1 3.24Å; V48-F55 HydrophobicContact CG1-CD2 3.58Å; V48-F55 HydrophobicContact CG1-CE1 3.47Å; V48-F55 VanDerWaalsContact CG1-CE1 3.47Å; V48-F55 HydrophobicContact CG1-CE2 3.83Å; V48-F55 HydrophobicContact CG1-CG 3.28Å; V48-F55 HydrophobicContact CG1-CZ 3.77Å; V48-F55 VanDerWaalsContact CG1-N 3.31Å; V48-F55 VanDerWaalsContact O-CE2 3.25Å; V48-F55 WeakPolarHBondContact O-CE2 3.49Å; P52-F55 PolarHBondContact O-N 3.21Å; G53-F55 PolarHBondContact O-N 3.4Å; F55-L58 PolarHBondContact O-N 3.45Å; F55-L59 WeakPolarHBondContact O-CB 3.48Å; F55-L59 VanDerWaalsContact O-CG 3.29Å; F55-L59 WeakPolarHBondContact O-CG 3.24Å; F55-L59 PolarHBondContact O-N 3.36Å; F55-C91 HydrophobicContact CD1-CB 4.26Å; F55-C91 HydrophobicContact CE1-CB 3.64Å; F55-C91 HydrophobicContact CZ-CB 4.33Å
56L83Confident83.8Confident42 Ų4243.6 Ų43.622%0.2222%0.221CC..Hα-helixtrans-68-42.8177.4-57.5177.1000111G53 H54 L58 L59 E60 T92 F95 P96 L101G53-L56 WeakPolarHBondContact O-CB 3.24Å; G53-L56 PolarHBondContact O-N 3.25Å; G53-L56 VanDerWaalsContact O-N 3.16Å; H54-L56 VanDerWaalsContact C-N 3.29Å; H54-L56 PolarHBondContact O-N 3.4Å; L56-L58 PolarHBondContact O-N 3.12Å; L56-L59 PolarHBondContact O-N 3.42Å; L56-E60 PolarHBondContact O-N 2.68Å; L56-T92 HydrophobicContact CD2-CG2 4.41Å; L56-F95 HydrophobicContact CD2-CD1 4.17Å; L56-F95 HydrophobicContact CD2-CE1 4.31Å; L56-P96 HydrophobicContact CD1-CG 3.48Å; L56-P96 VanDerWaalsContact CD1-CG 3.48Å; L56-L101 HydrophobicContact CD2-CD2 4.43Å
57I87.1Confident84Confident52 Ų5242.4 Ų42.427%0.26721%0.213SC..Hα-helixtrans-60.4-46.4175-61.4173000110.3E10 I13 G53 H54 L59 E60 Q61E10-I57 HydrophobicContact CB-CG2 4.38Å; E10-I57 HydrophobicContact CG-CG2 3.95Å; I13-I57 HydrophobicContact CD1-CB 4.32Å; I13-I57 HydrophobicContact CD1-CG2 4.11Å; G53-I57 PolarHBondContact O-N 3.03Å; H54-I57 PolarHBondContact O-N 3.07Å; I57-L59 PolarHBondContact O-N 2.74Å; I57-E60 PolarHBondContact O-N 2.99Å; I57-Q61 WeakPolarHBondContact O-CG 3.29Å; I57-Q61 PolarHBondContact O-N 3.34Å
58L87.3Confident84.2Confident3 Ų343.7 Ų43.72%0.01622%0.218CC..Hα-helixtrans-62.6-43.3178.1177.357.3000111.8I13 L17 L44 V48 H54 F55 L56 E60 Q61 I62 T88I13-L58 HydrophobicContact CG2-CB 3.85Å; I13-L58 HydrophobicContact CG2-CD1 3.72Å; I13-L58 HydrophobicContact CG2-CG 4.3Å; L17-L58 HydrophobicContact CB-CD1 4.27Å; L17-L58 HydrophobicContact CD1-CD1 4.25Å; L17-L58 HydrophobicContact CD2-CD1 4.22Å; L17-L58 HydrophobicContact CG-CD1 4.48Å; L44-L58 HydrophobicContact CD1-CD1 4.13Å; L44-L58 HydrophobicContact CD1-CD2 4.16Å; L44-L58 HydrophobicContact CD2-CD1 4.15Å; L44-L58 HydrophobicContact CD2-CD2 3.9Å; L44-L58 HydrophobicContact CG-CD2 3.91Å; V48-L58 HydrophobicContact CG1-CD2 4.49Å; V48-L58 HydrophobicContact CG2-CB 4.29Å; V48-L58 HydrophobicContact CG2-CD2 3.76Å; H54-L58 WeakPolarHBondContact O-CB 3.1Å; H54-L58 PolarHBondContact O-N 3.24Å; F55-L58 PolarHBondContact O-N 3.45Å; L56-L58 PolarHBondContact O-N 3.12Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.49Å; L58-Q61 PolarHBondContact O-N 3.43Å; L58-I62 HydrophobicContact CD1-CD1 3.93Å; L58-I62 HydrophobicContact CD1-CG1 4.07Å; L58-I62 HydrophobicContact CG-CD1 3.82Å; L58-I62 HydrophobicContact CG-CG1 4.41Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.48Å; L58-T88 HydrophobicContact CD2-CG2 3.31Å; L58-T88 HydrophobicContact CG-CG2 3.88Å
59L86.7Confident84.3Confident0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-61.8-42.2176.6-78.4167.5000111.7F55 L56 I57 I62 L63 F85 T88 V89 F95 L101F55-L59 WeakPolarHBondContact O-CB 3.48Å; F55-L59 VanDerWaalsContact O-CG 3.29Å; F55-L59 WeakPolarHBondContact O-CG 3.24Å; F55-L59 PolarHBondContact O-N 3.36Å; L56-L59 PolarHBondContact O-N 3.42Å; I57-L59 PolarHBondContact O-N 2.74Å; L59-I62 PolarHBondContact O-N 2.74Å; L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 3.27Å; L59-F85 HydrophobicContact CD2-CD2 3.59Å; L59-F85 HydrophobicContact CD2-CE2 3.58Å; L59-F85 HydrophobicContact CD2-CG 4.33Å; L59-F85 HydrophobicContact CD2-CZ 4.3Å; L59-T88 WeakPolarHBondContact CD2-OG1 3.19Å; L59-V89 HydrophobicContact CD1-CG2 4.32Å; L59-V89 HydrophobicContact CD2-CG2 3.59Å; L59-F95 HydrophobicContact CD1-CE1 3.79Å; L59-F95 HydrophobicContact CD1-CZ 3.96Å; L59-L101 HydrophobicContact CB-CD2 3.43Å; L59-L101 VanDerWaalsContact CB-CD2 3.43Å; L59-L101 HydrophobicContact CD1-CD2 3.71Å; L59-L101 HydrophobicContact CG-CD2 4.18Å
60E88.2Confident84.5Confident95 Ų9543.3 Ų43.344%0.44421%0.21SC..Hα-helixtrans-62.8-43.4175.6-176.8150.7-13400112L56 I57 L58 I62 L63 Q64 L101 K104L56-E60 PolarHBondContact O-N 2.68Å; I57-E60 PolarHBondContact O-N 2.99Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 3.49Å; E60-I62 PolarHBondContact O-N 3.32Å; E60-L63 PolarHBondContact O-N 3.4Å; E60-Q64 WeakPolarHBondContact O-CB 3.14Å; E60-Q64 PolarHBondContact O-N 2.94Å; E60-L101 HydrophobicContact CB-CD1 4Å; E60-K104 IonicContact OE1-NZ 3.65Å; E60-K104 PolarHBondContact OE1-NZ 2.98Å
61Q89.1Confident84.7Confident11 Ų1142.3 Ų42.35%0.05121%0.214CC..Hα-helixtrans-62.3-42.5175.5-74.4-176-7.100112.3E10 Q14 L17 I57 L58 L63 Q64 K65E10-Q61 PolarHBondContact O-NE2 3.37Å; Q14-Q61 VanDerWaalsContact OE1-CD 3.27Å; Q14-Q61 VanDerWaalsContact OE1-OE1 3.12Å; L17-Q61 HydrophobicContact CD2-CB 3.96Å; I57-Q61 WeakPolarHBondContact O-CG 3.29Å; I57-Q61 PolarHBondContact O-N 3.34Å; L58-Q61 PolarHBondContact O-N 3.43Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.48Å; Q61-Q64 PolarHBondContact O-N 3.44Å; Q61-K65 WeakPolarHBondContact O-CB 3.3Å; Q61-K65 VanDerWaalsContact O-CG 3.28Å; Q61-K65 WeakPolarHBondContact O-CG 3.43Å; Q61-K65 PolarHBondContact O-N 2.86Å
62I89.2Confident85Confident0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-61.1-42.7175-68.8164.5000110.5L17 L58 L59 E60 K65 T66 L81 L84 F85 T88L17-I62 HydrophobicContact CD1-CG1 3.9Å; L17-I62 HydrophobicContact CD2-CG1 3.94Å; L58-I62 HydrophobicContact CD1-CD1 3.93Å; L58-I62 HydrophobicContact CD1-CG1 4.07Å; L58-I62 HydrophobicContact CG-CD1 3.82Å; L58-I62 HydrophobicContact CG-CG1 4.41Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.48Å; L59-I62 PolarHBondContact O-N 2.74Å; E60-I62 PolarHBondContact O-N 3.32Å; I62-K65 PolarHBondContact O-N 3.3Å; I62-T66 VanDerWaalsContact O-CB 3.31Å; I62-T66 WeakPolarHBondContact O-CB 3.46Å; I62-T66 PolarHBondContact O-N 2.99Å; I62-T66 PolarHBondContact O-OG1 3.15Å; I62-L81 HydrophobicContact CG2-CD2 4.09Å; I62-L84 HydrophobicContact CD1-CB 4.04Å; I62-F85 HydrophobicContact CG2-CB 3.91Å; I62-F85 HydrophobicContact CG2-CD2 4.23Å; I62-T88 HydrophobicContact CD1-CG2 4.23Å
63L88.2Confident85.2Confident1 Ų143.1 Ų43.11%0.00521%0.214CC..Hα-helixtrans-65.5-41.8177-72.1178000112.3L59 E60 Q61 K65 T66 R67 F85 L101 A105 Y109L59-L63 WeakPolarHBondContact O-CG 3.29Å; L59-L63 PolarHBondContact O-N 3.27Å; E60-L63 PolarHBondContact O-N 3.4Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.48Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-T66 WeakPolarHBondContact O-CB 3.09Å; L63-T66 PolarHBondContact O-N 3.48Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 2.96Å; L63-F85 HydrophobicContact CD1-CE2 4.39Å; L63-F85 HydrophobicContact CD2-CD2 4.11Å; L63-F85 HydrophobicContact CD2-CE2 3.8Å; L63-F85 HydrophobicContact CG-CD2 4.4Å; L63-F85 HydrophobicContact CG-CE2 4.04Å; L63-L101 HydrophobicContact CD1-CD1 4.49Å; L63-L101 HydrophobicContact CD1-CG 4.25Å; L63-A105 HydrophobicContact CD1-CB 3.94Å; L63-A105 HydrophobicContact CD2-CB 3.64Å; L63-A105 HydrophobicContact CG-CB 4.38Å; L63-Y109 HydrophobicContact CD2-CE2 4.08Å
64Q89.1Confident85.3Confident90 Ų9044.1 Ų44.142%0.42121%0.214SC..Hα-helixtrans-61.3-45.4176-17259.726.300110.7E60 Q61 T66 R67 E68E60-Q64 WeakPolarHBondContact O-CB 3.14Å; E60-Q64 PolarHBondContact O-N 2.94Å; Q61-Q64 PolarHBondContact O-N 3.44Å; Q64-T66 VanDerWaalsContact C-N 3.33Å; Q64-T66 PolarHBondContact O-N 3Å; Q64-R67 WeakPolarHBondContact O-CB 3.42Å; Q64-R67 PolarHBondContact O-N 3.39Å; Q64-E68 PolarHBondContact O-N 3.48Å
65K87.7Confident84.8Confident29 Ų2947.4 Ų47.413%0.12623%0.226CC..Hα-helixtrans-63.6-38.4175.1-71.8-72.5152.6-178.60112.8Q14 L17 E18 Q61 I62 L63 R67 E68 V69 L81Q14-K65 VanDerWaalsContact NE2-CE 3.35Å; L17-K65 HydrophobicContact CD2-CG 4.28Å; E18-K65 WeakPolarHBondContact OE1-CD 3.46Å; E18-K65 WeakPolarHBondContact OE1-CE 3.38Å; E18-K65 IonicContact OE1-NZ 2.71Å; E18-K65 PolarHBondContact OE1-NZ 3.29Å; Q61-K65 WeakPolarHBondContact O-CB 3.3Å; Q61-K65 VanDerWaalsContact O-CG 3.28Å; Q61-K65 WeakPolarHBondContact O-CG 3.43Å; Q61-K65 PolarHBondContact O-N 2.86Å; I62-K65 PolarHBondContact O-N 3.3Å; L63-K65 VanDerWaalsContact C-N 3.34Å; K65-R67 VanDerWaalsContact C-N 3.32Å; K65-R67 PolarHBondContact O-N 2.66Å; K65-E68 IonicContact NZ-OE1 3.46Å; K65-E68 PolarHBondContact NZ-OE1 3.48Å; K65-E68 IonicContact NZ-OE2 3.41Å; K65-E68 PolarHBondContact NZ-OE2 2.93Å; K65-E68 VanDerWaalsContact NZ-OE2 3.16Å; K65-E68 PolarHBondContact O-N 3.31Å; K65-V69 WeakPolarHBondContact O-CG2 3.5Å; K65-V69 PolarHBondContact O-N 3.33Å; K65-L81 HydrophobicContact CB-CD2 4Å
66T86.5Confident84.5Confident0 Ų049.8 Ų49.80%024%0.239CC..Hα-helixtrans-61.8-42.1175.7-58.70000110.5I62 L63 Q64 V69 Q70 T108 Y109 F112I62-T66 VanDerWaalsContact O-CB 3.31Å; I62-T66 WeakPolarHBondContact O-CB 3.46Å; I62-T66 PolarHBondContact O-N 2.99Å; I62-T66 PolarHBondContact O-OG1 3.15Å; L63-T66 WeakPolarHBondContact O-CB 3.09Å; L63-T66 PolarHBondContact O-N 3.48Å; Q64-T66 VanDerWaalsContact C-N 3.33Å; Q64-T66 PolarHBondContact O-N 3Å; T66-V69 PolarHBondContact O-N 3.48Å; T66-Q70 PolarHBondContact O-N 2.85Å; T66-T108 HydrophobicContact CG2-CG2 4.24Å; T66-Y109 HydrophobicContact CG2-CE1 4.09Å; T66-F112 HydrophobicContact CG2-CD2 4.44Å; T66-F112 HydrophobicContact CG2-CE2 3.41Å; T66-F112 VanDerWaalsContact CG2-CE2 3.41Å; T66-F112 HydrophobicContact CG2-CZ 3.47Å; T66-F112 VanDerWaalsContact CG2-CZ 3.47Å; T66-F112 WeakPolarHBondContact O-CZ 3.29Å
67R86.4Confident84.2Confident68 Ų6849.6 Ų49.626%0.25724%0.239SC..Hα-helixtrans-63.8-43.4174-69.5172.5179.4-161.1-5112.6L63 Q64 K65 V69 Q70 E71 T108L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 2.96Å; Q64-R67 WeakPolarHBondContact O-CB 3.42Å; Q64-R67 PolarHBondContact O-N 3.39Å; K65-R67 VanDerWaalsContact C-N 3.32Å; K65-R67 PolarHBondContact O-N 2.66Å; R67-V69 VanDerWaalsContact C-N 3.27Å; R67-V69 PolarHBondContact O-N 3.44Å; R67-Q70 WeakPolarHBondContact O-CA 3.23Å; R67-Q70 WeakPolarHBondContact O-CB 3.49Å; R67-Q70 PolarHBondContact O-N 2.82Å; R67-Q70 VanDerWaalsContact O-N 3.08Å; R67-E71 PolarHBondContact O-N 3.46Å; R67-T108 HydrophobicContact CG-CG2 3.76Å; R67-T108 PolarHBondContact NE-OG1 3.43Å; R67-T108 PolarHBondContact NH2-OG1 2.78Å
68E87.3Confident83.9Confident48 Ų4847.3 Ų47.322%0.22423%0.227CC..Hα-helixtrans-58.8-41.2174.4-70.9177-14900111.9Q64 K65 Q70 E71 K72Q64-E68 PolarHBondContact O-N 3.48Å; K65-E68 IonicContact NZ-OE1 3.46Å; K65-E68 PolarHBondContact NZ-OE1 3.48Å; K65-E68 IonicContact NZ-OE2 3.41Å; K65-E68 PolarHBondContact NZ-OE2 2.93Å; K65-E68 VanDerWaalsContact NZ-OE2 3.16Å; K65-E68 PolarHBondContact O-N 3.31Å; E68-Q70 VanDerWaalsContact C-N 3.29Å; E68-Q70 PolarHBondContact O-N 3.05Å; E68-E71 PolarHBondContact O-N 3.41Å; E68-K72 WeakPolarHBondContact O-CB 3.14Å; E68-K72 VanDerWaalsContact O-CG 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.47Å; E68-K72 PolarHBondContact O-N 3.25Å; E68-K72 IonicContact OE2-NZ 2.94Å; E68-K72 PolarHBondContact OE2-NZ 3.24Å
69V85.2Confident83.4Confident9 Ų948.8 Ų48.86%0.05524%0.236CC..Hα-helixtrans-65.2-35.4176.4166.30000111.5K65 T66 R67 G73 T74 L77 L81K65-V69 WeakPolarHBondContact O-CG2 3.5Å; K65-V69 PolarHBondContact O-N 3.33Å; T66-V69 PolarHBondContact O-N 3.48Å; R67-V69 VanDerWaalsContact C-N 3.27Å; R67-V69 PolarHBondContact O-N 3.44Å; V69-G73 PolarHBondContact O-N 3.34Å; V69-T74 WeakPolarHBondContact CG1-O 3.32Å; V69-T74 PolarHBondContact O-N 2.88Å; V69-T74 VanDerWaalsContact O-N 3.12Å; V69-L77 HydrophobicContact CG1-CB 4.23Å; V69-L77 HydrophobicContact CG2-CB 3.76Å; V69-L77 HydrophobicContact CG2-CD1 3.95Å; V69-L81 HydrophobicContact CB-CD1 4.24Å; V69-L81 HydrophobicContact CG2-CD1 3.71Å
70Q83.1Confident82.9Confident45 Ų4549.3 Ų49.321%0.2124%0.239CC..Hα-helixtrans-61.2-49.8173.4-162.8-173.76.300111.5T66 R67 E68 G73 F112T66-Q70 PolarHBondContact O-N 2.85Å; R67-Q70 WeakPolarHBondContact O-CA 3.23Å; R67-Q70 WeakPolarHBondContact O-CB 3.49Å; R67-Q70 PolarHBondContact O-N 2.82Å; R67-Q70 VanDerWaalsContact O-N 3.08Å; E68-Q70 VanDerWaalsContact C-N 3.29Å; E68-Q70 PolarHBondContact O-N 3.05Å; Q70-G73 PolarHBondContact O-N 3.11Å; Q70-F112 HydrophobicContact CB-CE1 3.95Å; Q70-F112 HydrophobicContact CB-CE2 4.34Å; Q70-F112 HydrophobicContact CB-CZ 3.58Å; Q70-F112 HydrophobicContact CG-CE1 4.01Å; Q70-F112 HydrophobicContact CG-CE2 4.4Å; Q70-F112 HydrophobicContact CG-CZ 3.89Å
71E83.6Confident82.6Confident168 Ų16844.9 Ų44.979%0.78522%0.219SC*.Hα-helixtrans-66.4-39.6-179-69.9176.9174.800112R67 E68 G73R67-E71 PolarHBondContact O-N 3.46Å; E68-E71 PolarHBondContact O-N 3.41Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 2.81Å
72K83.1Confident82.3Confident143 Ų14344.5 Ų44.562%0.62222%0.218SC*.Hα-helixtrans-78.4-11.4177.7-67168.7-175.4166.50113.3E68 T74E68-K72 WeakPolarHBondContact O-CB 3.14Å; E68-K72 VanDerWaalsContact O-CG 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.47Å; E68-K72 PolarHBondContact O-N 3.25Å; E68-K72 IonicContact OE2-NZ 2.94Å; E68-K72 PolarHBondContact OE2-NZ 3.24Å; K72-T74 VanDerWaalsContact C-N 3.35Å; K72-T74 PolarHBondContact O-N 3.46Å
73G75.1Confident81.7Confident29 Ų2946.3 Ų46.330%0.29923%0.227SC..THydrogen-bonded Turntrans64.232.1-178.900000114.4V69 Q70 E71 Y75V69-G73 PolarHBondContact O-N 3.34Å; Q70-G73 PolarHBondContact O-N 3.11Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 2.81Å; G73-Y75 VanDerWaalsContact O-CD2 3.26Å; G73-Y75 WeakPolarHBondContact O-CD2 3.15Å; G73-Y75 VanDerWaalsContact O-CE2 3.25Å; G73-Y75 WeakPolarHBondContact O-CE2 3.28Å; G73-Y75 PolarHBondContact O-N 2.82Å
74T77.1Confident81.4Confident47 Ų4746.7 Ų46.729%0.28823%0.229SC..  trans-92.893.7-174.2-51.60000112.8V69 K72 D76 L77V69-T74 WeakPolarHBondContact CG1-O 3.32Å; V69-T74 PolarHBondContact O-N 2.88Å; V69-T74 VanDerWaalsContact O-N 3.12Å; K72-T74 VanDerWaalsContact C-N 3.35Å; K72-T74 PolarHBondContact O-N 3.46Å; T74-D76 VanDerWaalsContact C-N 3.29Å; T74-D76 PolarHBondContact O-N 3.42Å; T74-L77 HydrophobicContact CG2-CD1 4.04Å; T74-L77 HydrophobicContact CG2-CG 4.17Å; T74-L77 PolarHBondContact O-N 2.9Å
75Y76Confident81.2Confident103 Ų10342.4 Ų42.440%0.40421%0.209SC..Hα-helixtrans-58.2-33.4-179.2-57.5-94.3000115G73 L77 L78 W115 P116 Y119G73-Y75 VanDerWaalsContact O-CD2 3.26Å; G73-Y75 WeakPolarHBondContact O-CD2 3.15Å; G73-Y75 VanDerWaalsContact O-CE2 3.25Å; G73-Y75 WeakPolarHBondContact O-CE2 3.28Å; G73-Y75 PolarHBondContact O-N 2.82Å; Y75-L77 PolarHBondContact O-N 3.4Å; Y75-L78 PolarHBondContact O-N 3.49Å; Y75-W115 HydrophobicContact CD1-CD2 4.19Å; Y75-W115 AromaticContact CD1-CE3 3.06Å; Y75-W115 HydrophobicContact CD1-CE3 3.06Å; Y75-W115 HydrophobicContact CD1-CH2 4.14Å; Y75-W115 AromaticContact CD1-CZ3 3.02Å; Y75-W115 HydrophobicContact CD1-CZ3 3.02Å; Y75-W115 HydrophobicContact CD2-CZ3 4Å; Y75-W115 AromaticContact CE1-CD2 3.72Å; Y75-W115 HydrophobicContact CE1-CD2 3.72Å; Y75-W115 AromaticContact CE1-CE3 2.99Å; Y75-W115 HydrophobicContact CE1-CE3 2.99Å; Y75-W115 HydrophobicContact CE1-CG 4.49Å; Y75-W115 AromaticContact CE1-CH2 3.99Å; Y75-W115 HydrophobicContact CE1-CH2 3.99Å; Y75-W115 AromaticContact CE1-CZ3 3.15Å; Y75-W115 HydrophobicContact CE1-CZ3 3.15Å; Y75-W115 HydrophobicContact CE2-CH2 4.41Å; Y75-W115 HydrophobicContact CE2-CZ3 4.11Å; Y75-W115 AromaticContact CG-CE3 3.98Å; Y75-W115 HydrophobicContact CG-CE3 3.98Å; Y75-W115 HydrophobicContact CG-CH2 4.36Å; Y75-W115 AromaticContact CG-CZ3 3.44Å; Y75-W115 HydrophobicContact CG-CZ3 3.44Å; Y75-W115 VanDerWaalsContact CG-CZ3 3.44Å; Y75-W115 AromaticContact CZ-CE3 3.89Å; Y75-W115 AromaticContact CZ-CZ3 3.69Å; Y75-P116 HydrophobicContact CE1-CG 4.32Å; Y75-Y119 HydrophobicContact CD1-CD2 4.06Å; Y75-Y119 AromaticContact CD1-CE2 3.83Å; Y75-Y119 HydrophobicContact CD1-CE2 3.83Å; Y75-Y119 HydrophobicContact CG-CE2 4.42Å
76D75.4Confident80.8Confident62 Ų6243.6 Ų43.633%0.33221%0.213SC..Hα-helixtrans-65.3-25.1-174.7-64.1-70000114.2R28 T74 P80R28-D76 IonicContact CZ-OD1 2.65Å; R28-D76 IonicContact CZ-OD2 2.74Å; R28-D76 IonicContact NE-OD1 3.13Å; R28-D76 IonicContact NH1-OD1 2.68Å; R28-D76 PolarHBondContact NH1-OD1 2.94Å; R28-D76 IonicContact NH1-OD2 3.16Å; R28-D76 PolarHBondContact NH1-OD2 3.48Å; R28-D76 IonicContact NH2-OD1 3.46Å; R28-D76 PolarHBondContact NH2-OD1 3.08Å; R28-D76 IonicContact NH2-OD2 2.74Å; R28-D76 PolarHBondContact NH2-OD2 3.28Å; T74-D76 VanDerWaalsContact C-N 3.29Å; T74-D76 PolarHBondContact O-N 3.42Å; D76-P80 VanDerWaalsContact O-CD 3.29Å; D76-P80 WeakPolarHBondContact O-CD 3.24Å; D76-P80 WeakPolarHBondContact O-CG 3.27Å
77L76.8Confident80.2Confident39 Ų3944 Ų4420%0.20422%0.216CC..Hα-helixtrans-95-12.4-175.5-68.9172.7000112.9L21 V69 T74 Y75 P80 L81L21-L77 HydrophobicContact CB-CD2 4.47Å; V69-L77 HydrophobicContact CG1-CB 4.23Å; V69-L77 HydrophobicContact CG2-CB 3.76Å; V69-L77 HydrophobicContact CG2-CD1 3.95Å; T74-L77 HydrophobicContact CG2-CD1 4.04Å; T74-L77 HydrophobicContact CG2-CG 4.17Å; T74-L77 PolarHBondContact O-N 2.9Å; Y75-L77 PolarHBondContact O-N 3.4Å; L77-P80 WeakPolarHBondContact O-CD 3.31Å; L77-P80 VanDerWaalsContact O-CG 3.28Å; L77-P80 WeakPolarHBondContact O-CG 3.4Å; L77-L81 HydrophobicContact CB-CD1 4.33Å; L77-L81 VanDerWaalsContact O-CB 3.28Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 WeakPolarHBondContact O-CD1 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.49Å; L77-L81 PolarHBondContact O-N 3.22Å; L77-L81 VanDerWaalsContact O-N 3.09Å
78L80.3Confident79.9Confident4 Ų441.3 Ų41.32%0.02121%0.207CC..Hα-helixtrans-66.7-49.7-176.8179.159.4000112Y75 L81 A82 F112 W115 Y119Y75-L78 PolarHBondContact O-N 3.49Å; L78-L81 PolarHBondContact O-N 3Å; L78-A82 WeakPolarHBondContact O-CB 3.18Å; L78-A82 PolarHBondContact O-N 3.35Å; L78-F112 HydrophobicContact CD1-CD1 3.68Å; L78-F112 HydrophobicContact CD1-CE1 3.68Å; L78-F112 HydrophobicContact CD1-CG 4.11Å; L78-F112 HydrophobicContact CD1-CZ 4.11Å; L78-F112 HydrophobicContact CD2-CD1 3.77Å; L78-F112 HydrophobicContact CD2-CE1 4.31Å; L78-F112 HydrophobicContact CD2-CG 4.46Å; L78-F112 HydrophobicContact CG-CD1 4.38Å; L78-W115 HydrophobicContact CD2-CE3 4.1Å; L78-Y119 HydrophobicContact CB-CD1 4.45Å; L78-Y119 HydrophobicContact CD2-CD1 3.84Å; L78-Y119 HydrophobicContact CD2-CG 4Å; L78-Y119 HydrophobicContact CG-CD1 4.41Å
79T76.6Confident79.5Confident34 Ų3439 Ų3921%0.20920%0.197CC..Hα-helixtrans-56.9-53177.9-52.50000112.4L81 A82 L83T79-L81 VanDerWaalsContact C-N 3.32Å; T79-L81 PolarHBondContact O-N 3.29Å; T79-A82 PolarHBondContact O-N 2.69Å; T79-L83 HydrophobicContact CG2-CD1 4.01Å; T79-L83 WeakPolarHBondContact O-CD1 3.32Å; T79-L83 VanDerWaalsContact O-CG 3.24Å; T79-L83 WeakPolarHBondContact O-CG 3.5Å; T79-L83 PolarHBondContact O-N 3.2Å
80P76.6Confident78.8Confident11 Ų1139.5 Ų39.57%0.07120%0.199CC..Hα-helixtrans-62.9-35.9178.420.8-30.7000113.5L21 L24 D76 L77 L83 L84L21-P80 HydrophobicContact CD2-CB 4.47Å; L24-P80 HydrophobicContact CB-CB 3.81Å; L24-P80 HydrophobicContact CB-CG 4.11Å; L24-P80 HydrophobicContact CD1-CB 3.28Å; L24-P80 HydrophobicContact CD1-CG 4.39Å; L24-P80 HydrophobicContact CD2-CB 3.99Å; L24-P80 HydrophobicContact CG-CB 3.83Å; D76-P80 VanDerWaalsContact O-CD 3.29Å; D76-P80 WeakPolarHBondContact O-CD 3.24Å; D76-P80 WeakPolarHBondContact O-CG 3.27Å; L77-P80 WeakPolarHBondContact O-CD 3.31Å; L77-P80 VanDerWaalsContact O-CG 3.28Å; L77-P80 WeakPolarHBondContact O-CG 3.4Å; P80-L83 PolarHBondContact O-N 3.48Å; P80-L84 WeakPolarHBondContact O-CB 3.47Å; P80-L84 WeakPolarHBondContact O-CG 3.3Å; P80-L84 PolarHBondContact O-N 3.36Å
81L82.9Confident78.1Confident1 Ų139.1 Ų39.11%0.00520%0.201CC..Hα-helixtrans-66.4-44.1175.5-77.3168000112.3L21 I62 K65 V69 L77 L78 T79 L83 L84 F85L21-L81 HydrophobicContact CD1-CD2 3.93Å; L21-L81 HydrophobicContact CD2-CD2 3.78Å; L21-L81 HydrophobicContact CD2-CG 3.93Å; L21-L81 HydrophobicContact CG-CD2 4.49Å; I62-L81 HydrophobicContact CG2-CD2 4.09Å; K65-L81 HydrophobicContact CB-CD2 4Å; V69-L81 HydrophobicContact CB-CD1 4.24Å; V69-L81 HydrophobicContact CG2-CD1 3.71Å; L77-L81 HydrophobicContact CB-CD1 4.33Å; L77-L81 VanDerWaalsContact O-CB 3.28Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 WeakPolarHBondContact O-CD1 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.49Å; L77-L81 PolarHBondContact O-N 3.22Å; L77-L81 VanDerWaalsContact O-N 3.09Å; L78-L81 PolarHBondContact O-N 3Å; T79-L81 VanDerWaalsContact C-N 3.32Å; T79-L81 PolarHBondContact O-N 3.29Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.05Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-F85 WeakPolarHBondContact O-CB 3.39Å; L81-F85 PolarHBondContact O-N 2.97Å
82A81.8Confident77.4Confident4 Ų431.5 Ų31.53%0.03317%0.166CC..Hα-helixtrans-60.5-39.2176.700000111.8L78 T79 F85 Y86 I122 L126L78-A82 WeakPolarHBondContact O-CB 3.18Å; L78-A82 PolarHBondContact O-N 3.35Å; T79-A82 PolarHBondContact O-N 2.69Å; A82-F85 PolarHBondContact O-N 3.46Å; A82-Y86 WeakPolarHBondContact O-CB 3.45Å; A82-Y86 PolarHBondContact O-N 2.98Å; A82-I122 HydrophobicContact CB-CG2 4.31Å; A82-L126 HydrophobicContact CB-CD2 4.07Å
83L76.9Confident76.3Confident37 Ų3729 Ų2919%0.19416%0.164CC..Hα-helixtrans-69-45.9177.5-69.1167.4000112.5T79 P80 L81 F85 Y86 S87 L206 L209T79-L83 HydrophobicContact CG2-CD1 4.01Å; T79-L83 WeakPolarHBondContact O-CD1 3.32Å; T79-L83 VanDerWaalsContact O-CG 3.24Å; T79-L83 WeakPolarHBondContact O-CG 3.5Å; T79-L83 PolarHBondContact O-N 3.2Å; P80-L83 PolarHBondContact O-N 3.48Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.05Å; L83-F85 VanDerWaalsContact C-N 3.29Å; L83-F85 PolarHBondContact O-N 3.49Å; L83-Y86 PolarHBondContact O-N 3.37Å; L83-S87 WeakPolarHBondContact O-CB 3.21Å; L83-S87 PolarHBondContact O-N 3.46Å; L83-S87 PolarHBondContact O-OG 2.94Å; L83-L206 HydrophobicContact CD1-CD2 3.25Å; L83-L206 HydrophobicContact CD2-CD2 3.38Å; L83-L206 HydrophobicContact CG-CD2 3.87Å; L83-L209 HydrophobicContact CD2-CD1 4.3Å
84L80.9Confident75.8Confident9 Ų934 Ų345%0.04718%0.179CC..Hα-helixtrans-60.4-42.5174.6-74.2170.2000110.5L17 C20 L21 L24 I62 P80 L81 S87 T88L17-L84 HydrophobicContact CD1-CD1 3.82Å; C20-L84 HydrophobicContact CB-CD1 4.49Å; L21-L84 HydrophobicContact CD2-CD1 3.94Å; L24-L84 HydrophobicContact CD1-CD1 4.4Å; I62-L84 HydrophobicContact CD1-CB 4.04Å; P80-L84 WeakPolarHBondContact O-CB 3.47Å; P80-L84 WeakPolarHBondContact O-CG 3.3Å; P80-L84 PolarHBondContact O-N 3.36Å; L81-L84 PolarHBondContact O-N 2.89Å; L84-S87 PolarHBondContact O-N 3.09Å; L84-S87 PolarHBondContact O-OG 2.92Å; L84-T88 PolarHBondContact O-N 2.95Å; L84-T88 PolarHBondContact O-OG1 3.18Å
85F85.6Confident75.2Confident0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-60.6-52.5174.9-176.2-92000111.9L59 I62 L63 L81 A82 L83 S87 T88 V89 L102 A105 Y109 L126 I130L59-F85 HydrophobicContact CD2-CD2 3.59Å; L59-F85 HydrophobicContact CD2-CE2 3.58Å; L59-F85 HydrophobicContact CD2-CG 4.33Å; L59-F85 HydrophobicContact CD2-CZ 4.3Å; I62-F85 HydrophobicContact CG2-CB 3.91Å; I62-F85 HydrophobicContact CG2-CD2 4.23Å; L63-F85 HydrophobicContact CD1-CE2 4.39Å; L63-F85 HydrophobicContact CD2-CD2 4.11Å; L63-F85 HydrophobicContact CD2-CE2 3.8Å; L63-F85 HydrophobicContact CG-CD2 4.4Å; L63-F85 HydrophobicContact CG-CE2 4.04Å; L81-F85 WeakPolarHBondContact O-CB 3.39Å; L81-F85 PolarHBondContact O-N 2.97Å; A82-F85 PolarHBondContact O-N 3.46Å; L83-F85 VanDerWaalsContact C-N 3.29Å; L83-F85 PolarHBondContact O-N 3.49Å; F85-S87 PolarHBondContact O-N 2.68Å; F85-T88 WeakPolarHBondContact CA-OG1 3.4Å; F85-T88 PolarHBondContact O-N 2.86Å; F85-T88 PolarHBondContact O-OG1 2.64Å; F85-V89 HydrophobicContact CD1-CG2 4Å; F85-V89 HydrophobicContact CE1-CG2 3.53Å; F85-V89 HydrophobicContact CE2-CG2 4.16Å; F85-V89 HydrophobicContact CG-CG2 4.49Å; F85-V89 HydrophobicContact CZ-CG2 3.61Å; F85-V89 WeakPolarHBondContact O-CG2 3.37Å; F85-V89 PolarHBondContact O-N 3.01Å; F85-L102 HydrophobicContact CZ-CD2 4.32Å; F85-A105 HydrophobicContact CE1-CB 4.25Å; F85-A105 HydrophobicContact CE2-CB 3.76Å; F85-A105 HydrophobicContact CZ-CB 3.35Å; F85-Y109 VanDerWaalsContact CB-OH 3.24Å; F85-Y109 WeakPolarHBondContact CB-OH 3.47Å; F85-Y109 AromaticContact CD1-CE2 3.8Å; F85-Y109 HydrophobicContact CD1-CE2 3.8Å; F85-Y109 HydrophobicContact CD2-CE2 4.22Å; F85-Y109 AromaticContact CE1-CE2 3.9Å; F85-Y109 HydrophobicContact CE1-CE2 3.9Å; F85-Y109 HydrophobicContact CE2-CE2 4.3Å; F85-Y109 AromaticContact CG-CE2 3.98Å; F85-Y109 HydrophobicContact CG-CE2 3.98Å; F85-Y109 VanDerWaalsContact CG-OH 3.27Å; F85-Y109 WeakPolarHBondContact CG-OH 3.29Å; F85-Y109 HydrophobicContact CZ-CE2 4.16Å; F85-L126 HydrophobicContact CD1-CD1 4.09Å; F85-L126 HydrophobicContact CD1-CD2 4.07Å; F85-L126 HydrophobicContact CD1-CG 4.35Å; F85-I130 HydrophobicContact CE1-CD1 3.7Å; F85-I130 HydrophobicContact CE1-CG1 3.85Å; F85-I130 HydrophobicContact CZ-CD1 4.23Å; F85-I130 HydrophobicContact CZ-CG1 4.44Å
86Y79.6Confident74.8Confident54 Ų5430.1 Ų30.121%0.21217%0.165CC..Hα-helixtrans-52.7-46.2-179.9178.3-102.2000112A82 L83 L90 L126 F129 K205A82-Y86 WeakPolarHBondContact O-CB 3.45Å; A82-Y86 PolarHBondContact O-N 2.98Å; L83-Y86 PolarHBondContact O-N 3.37Å; Y86-L90 HydrophobicContact CD1-CD1 3.82Å; Y86-L90 HydrophobicContact CE1-CD1 3.19Å; Y86-L90 HydrophobicContact CE1-CG 4.08Å; Y86-L90 HydrophobicContact CE2-CD1 4.45Å; Y86-L90 WeakPolarHBondContact O-CG 3.34Å; Y86-L90 PolarHBondContact O-N 3Å; Y86-L126 HydrophobicContact CD2-CD1 3.93Å; Y86-L126 HydrophobicContact CG-CD1 4.44Å; Y86-F129 AromaticContact CD2-CD1 3.62Å; Y86-F129 HydrophobicContact CD2-CD1 3.62Å; Y86-F129 HydrophobicContact CD2-CD2 4.29Å; Y86-F129 AromaticContact CD2-CE1 3.68Å; Y86-F129 HydrophobicContact CD2-CE1 3.68Å; Y86-F129 HydrophobicContact CD2-CE2 4.32Å; Y86-F129 AromaticContact CD2-CG 3.93Å; Y86-F129 HydrophobicContact CD2-CG 3.93Å; Y86-F129 HydrophobicContact CD2-CZ 4.05Å; Y86-F129 HydrophobicContact CE2-CB 4.35Å; Y86-F129 AromaticContact CE2-CD1 3.74Å; Y86-F129 HydrophobicContact CE2-CD1 3.74Å; Y86-F129 AromaticContact CE2-CD2 3.53Å; Y86-F129 HydrophobicContact CE2-CD2 3.53Å; Y86-F129 AromaticContact CE2-CE1 3.79Å; Y86-F129 HydrophobicContact CE2-CE1 3.79Å; Y86-F129 AromaticContact CE2-CE2 3.58Å; Y86-F129 HydrophobicContact CE2-CE2 3.58Å; Y86-F129 AromaticContact CE2-CG 3.59Å; Y86-F129 HydrophobicContact CE2-CG 3.59Å; Y86-F129 AromaticContact CE2-CZ 3.72Å; Y86-F129 HydrophobicContact CE2-CZ 3.72Å; Y86-K205 HydrophobicContact CE1-CD 4.32Å; Y86-K205 PolarHBondContact OH-NZ 3.39Å
87S73.8Confident74Confident9 Ų932.8 Ų32.86%0.06319%0.185CC..Hα-helixtrans-71.8-35.8-178.5680000114.9L83 L84 F85 L90 C91 W202L83-S87 WeakPolarHBondContact O-CB 3.21Å; L83-S87 PolarHBondContact O-N 3.46Å; L83-S87 PolarHBondContact O-OG 2.94Å; L84-S87 PolarHBondContact O-N 3.09Å; L84-S87 PolarHBondContact O-OG 2.92Å; F85-S87 PolarHBondContact O-N 2.68Å; S87-L90 PolarHBondContact O-N 3.44Å; S87-C91 WeakPolarHBondContact O-CB 3.33Å; S87-C91 PolarHBondContact O-N 3.11Å; S87-C91 PolarHBondContact O-SG 3.19Å; S87-W202 VanDerWaalsContact CB-CZ2 3.45Å; S87-W202 WeakPolarHBondContact OG-CH2 2.82Å; S87-W202 WeakPolarHBondContact OG-CZ3 3.35Å
88T81.1Confident73.3Confident11 Ų1138 Ų387%0.06721%0.214CC..Hα-helixtrans-68.2-44.7177.330.50000109.2L58 L59 I62 L84 F85 L90 C91 T92L58-T88 HydrophobicContact CD2-CG2 3.31Å; L58-T88 HydrophobicContact CG-CG2 3.88Å; L59-T88 WeakPolarHBondContact CD2-OG1 3.19Å; I62-T88 HydrophobicContact CD1-CG2 4.23Å; L84-T88 PolarHBondContact O-N 2.95Å; L84-T88 PolarHBondContact O-OG1 3.18Å; F85-T88 WeakPolarHBondContact CA-OG1 3.4Å; F85-T88 PolarHBondContact O-N 2.86Å; F85-T88 PolarHBondContact O-OG1 2.64Å; T88-L90 VanDerWaalsContact C-N 3.29Å; T88-L90 PolarHBondContact O-N 2.9Å; T88-C91 CarbonylContact O-C 3.52Å; T88-C91 PolarHBondContact O-N 3.34Å; T88-T92 PolarHBondContact O-N 2.92Å; T88-T92 PolarHBondContact O-OG1 3.17Å
89V78.4Confident72.8Confident1 Ų139.5 Ų39.51%0.00623%0.225CC..Hα-helixtrans-56.8-43.3172.6175.70000111.5L59 F85 C91 T92 F95 L102 F129 E133L59-V89 HydrophobicContact CD1-CG2 4.32Å; L59-V89 HydrophobicContact CD2-CG2 3.59Å; F85-V89 HydrophobicContact CD1-CG2 4Å; F85-V89 HydrophobicContact CE1-CG2 3.53Å; F85-V89 HydrophobicContact CE2-CG2 4.16Å; F85-V89 HydrophobicContact CG-CG2 4.49Å; F85-V89 HydrophobicContact CZ-CG2 3.61Å; F85-V89 WeakPolarHBondContact O-CG2 3.37Å; F85-V89 PolarHBondContact O-N 3.01Å; V89-C91 VanDerWaalsContact C-N 3.3Å; V89-C91 PolarHBondContact O-N 2.93Å; V89-T92 PolarHBondContact O-N 2.88Å; V89-F95 HydrophobicContact CB-CZ 4.29Å; V89-F95 HydrophobicContact CG1-CE2 3.98Å; V89-F95 HydrophobicContact CG1-CZ 3.87Å; V89-F95 HydrophobicContact CG2-CZ 4.22Å; V89-L102 HydrophobicContact CG1-CD2 4.33Å; V89-L102 HydrophobicContact CG2-CD2 4.14Å; V89-F129 HydrophobicContact CB-CE1 3.89Å; V89-F129 HydrophobicContact CB-CZ 4.39Å; V89-F129 HydrophobicContact CG1-CE1 3.5Å; V89-F129 VanDerWaalsContact CG1-CE1 3.5Å; V89-F129 HydrophobicContact CG1-CZ 3.85Å; V89-E133 HydrophobicContact CG1-CG 4.1Å
90L70.4Confident73Confident19 Ų1943.4 Ų43.410%0.09924%0.244CC..Hα-helixtrans-63.8-33.8175.2-79178.7000113.6Y86 S87 T88 F129 Y141 L144Y86-L90 HydrophobicContact CD1-CD1 3.82Å; Y86-L90 HydrophobicContact CE1-CD1 3.19Å; Y86-L90 HydrophobicContact CE1-CG 4.08Å; Y86-L90 HydrophobicContact CE2-CD1 4.45Å; Y86-L90 WeakPolarHBondContact O-CG 3.34Å; Y86-L90 PolarHBondContact O-N 3Å; S87-L90 PolarHBondContact O-N 3.44Å; T88-L90 VanDerWaalsContact C-N 3.29Å; T88-L90 PolarHBondContact O-N 2.9Å; L90-F129 HydrophobicContact CD2-CE2 3.82Å; L90-F129 HydrophobicContact CD2-CZ 3.72Å; L90-F129 HydrophobicContact CG-CE2 4.37Å; L90-F129 HydrophobicContact CG-CZ 3.89Å; L90-Y141 WeakPolarHBondContact O-CD2 3.13Å; L90-L144 HydrophobicContact CD1-CD1 3.9Å; L90-L144 HydrophobicContact CD2-CD1 4.46Å
91C67.1Low73.3Confident37 Ų3743.8 Ų43.825%0.2525%0.246CC..Hα-helixtrans-85.2-14.6-179.7-64.10000112.6Q45 F55 S87 T88 V89 P93Q45-C91 PolarHBondContact NE2-SG 3.11Å; F55-C91 HydrophobicContact CD1-CB 4.26Å; F55-C91 HydrophobicContact CE1-CB 3.64Å; F55-C91 HydrophobicContact CZ-CB 4.33Å; S87-C91 WeakPolarHBondContact O-CB 3.33Å; S87-C91 PolarHBondContact O-N 3.11Å; S87-C91 PolarHBondContact O-SG 3.19Å; T88-C91 CarbonylContact O-C 3.52Å; T88-C91 PolarHBondContact O-N 3.34Å; V89-C91 VanDerWaalsContact C-N 3.3Å; V89-C91 PolarHBondContact O-N 2.93Å; C91-P93 WeakPolarHBondContact O-CD 3.19Å
92T69.4Low73.2Confident8 Ų844.2 Ų44.25%0.04925%0.248CC..  trans-68.9113.2177.4-59.30000109.5L56 T88 V89 F95L56-T92 HydrophobicContact CD2-CG2 4.41Å; T88-T92 PolarHBondContact O-N 2.92Å; T88-T92 PolarHBondContact O-OG1 3.17Å; V89-T92 PolarHBondContact O-N 2.88Å; T92-F95 HydrophobicContact CG2-CD1 4.3Å; T92-F95 HydrophobicContact CG2-CD2 4Å; T92-F95 HydrophobicContact CG2-CE1 4.07Å; T92-F95 HydrophobicContact CG2-CE2 3.75Å; T92-F95 HydrophobicContact CG2-CG 4.27Å; T92-F95 HydrophobicContact CG2-CZ 3.78Å
93P60.7Low73.3Confident91 Ų9148.5 Ų48.559%0.59127%0.27SS*.SBendtrans-76.4-25.1-175.229.9-33.9000113P52 C91P52-P93 HydrophobicContact CB-CG 4.37Å; C91-P93 WeakPolarHBondContact O-CD 3.19Å
94H63.4Low73.7Confident133 Ų13349.8 Ų49.862%0.61627%0.273SS*.  trans-151.7122.9-178.1-171.2-63.4000110
95F66.4Low74Confident25 Ų2549.3 Ų49.311%0.1127%0.271CS..  trans-89.2126.6167.8-79.7-82.6000109.2L56 L59 V89 T92 L101 L102 E133L56-F95 HydrophobicContact CD2-CD1 4.17Å; L56-F95 HydrophobicContact CD2-CE1 4.31Å; L59-F95 HydrophobicContact CD1-CE1 3.79Å; L59-F95 HydrophobicContact CD1-CZ 3.96Å; V89-F95 HydrophobicContact CB-CZ 4.29Å; V89-F95 HydrophobicContact CG1-CE2 3.98Å; V89-F95 HydrophobicContact CG1-CZ 3.87Å; V89-F95 HydrophobicContact CG2-CZ 4.22Å; T92-F95 HydrophobicContact CG2-CD1 4.3Å; T92-F95 HydrophobicContact CG2-CD2 4Å; T92-F95 HydrophobicContact CG2-CE1 4.07Å; T92-F95 HydrophobicContact CG2-CE2 3.75Å; T92-F95 HydrophobicContact CG2-CG 4.27Å; T92-F95 HydrophobicContact CG2-CZ 3.78Å; F95-L101 HydrophobicContact CE1-CD2 4.42Å; F95-L102 HydrophobicContact CD1-CD1 4.09Å; F95-L102 HydrophobicContact CD1-CG 4.15Å; F95-L102 HydrophobicContact CD2-CD1 4.22Å; F95-L102 HydrophobicContact CE1-CD1 4.14Å; F95-L102 HydrophobicContact CE1-CD2 4.02Å; F95-L102 HydrophobicContact CE1-CG 3.93Å; F95-L102 HydrophobicContact CE2-CD1 4.27Å; F95-L102 HydrophobicContact CG-CD1 4.13Å; F95-L102 HydrophobicContact CZ-CD1 4.24Å; F95-L102 HydrophobicContact CZ-CD2 4.02Å; F95-L102 HydrophobicContact CZ-CG 4.28Å; F95-E133 HydrophobicContact CE2-CG 4.43Å
96P66.3Low73.9Confident43 Ų4350.1 Ų50.128%0.27928%0.278SS..  trans-56.4134.9173.4-15.322.9000109.8L56 D98 S99L56-P96 HydrophobicContact CD1-CG 3.48Å; L56-P96 VanDerWaalsContact CD1-CG 3.48Å; P96-D98 PolarHBondContact O-N 3.29Å; P96-S99 WeakPolarHBondContact CD-OG 3.36Å; P96-S99 WeakPolarHBondContact O-CB 3.28Å; P96-S99 PolarHBondContact O-N 3.18Å; P96-S99 PolarHBondContact O-OG 3.45Å
97P59.4Low74.3Confident118 Ų11850.2 Ų50.277%0.76629%0.286SS*.THydrogen-bonded Turntrans-62.2-23.4179.225.4-33.7000112.7S99P97-S99 VanDerWaalsContact C-N 3.34Å
98D62Low74.9Confident149 Ų14949.9 Ų49.980%0.79728%0.284SS*.THydrogen-bonded Turntrans-89.54.4176.7-52.5-49.8000113.4P96 D100P96-D98 PolarHBondContact O-N 3.29Å; D98-D100 PolarHBondContact O-N 2.82Å
99S68.9Low75Confident36 Ų3649.3 Ų49.325%0.25228%0.28SS..  trans-90.9107.3-176.769.50000112.3P96 P97 L101P96-S99 WeakPolarHBondContact CD-OG 3.36Å; P96-S99 WeakPolarHBondContact O-CB 3.28Å; P96-S99 PolarHBondContact O-N 3.18Å; P96-S99 PolarHBondContact O-OG 3.45Å; P97-S99 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact O-N 3.43Å
100D81.1Confident75.3Confident116 Ų11654.5 Ų54.562%0.6230%0.304SS*.THydrogen-bonded Turntrans-73.313.2172.4-63.1-41.1000113.3D98 L102 L103 K104D98-D100 PolarHBondContact O-N 2.82Å; D100-L102 PolarHBondContact O-N 3.26Å; D100-L103 PolarHBondContact O-N 2.78Å; D100-K104 VanDerWaalsContact O-CB 3.25Å; D100-K104 WeakPolarHBondContact O-CB 3.28Å; D100-K104 PolarHBondContact O-N 3.35Å
101L82.7Confident75.9Confident19 Ų1960.8 Ų60.810%0.09933%0.327CS..Hα-helixtrans-63.2-43.6-171.3-162.391.5000112L56 L59 E60 L63 F95 S99 K104 A105L56-L101 HydrophobicContact CD2-CD2 4.43Å; L59-L101 HydrophobicContact CB-CD2 3.43Å; L59-L101 VanDerWaalsContact CB-CD2 3.43Å; L59-L101 HydrophobicContact CD1-CD2 3.71Å; L59-L101 HydrophobicContact CG-CD2 4.18Å; E60-L101 HydrophobicContact CB-CD1 4Å; L63-L101 HydrophobicContact CD1-CD1 4.49Å; L63-L101 HydrophobicContact CD1-CG 4.25Å; F95-L101 HydrophobicContact CE1-CD2 4.42Å; S99-L101 PolarHBondContact O-N 3.43Å; L101-K104 PolarHBondContact O-N 2.99Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 2.85Å
102L81.4Confident76.6Confident9 Ų959 Ų595%0.04732%0.315CS..Hα-helixtrans-69.9-35177.1-71.4177.6000111.8F85 V89 F95 D100 A105 A106 I130 E133 L134F85-L102 HydrophobicContact CZ-CD2 4.32Å; V89-L102 HydrophobicContact CG1-CD2 4.33Å; V89-L102 HydrophobicContact CG2-CD2 4.14Å; F95-L102 HydrophobicContact CD1-CD1 4.09Å; F95-L102 HydrophobicContact CD1-CG 4.15Å; F95-L102 HydrophobicContact CD2-CD1 4.22Å; F95-L102 HydrophobicContact CE1-CD1 4.14Å; F95-L102 HydrophobicContact CE1-CD2 4.02Å; F95-L102 HydrophobicContact CE1-CG 3.93Å; F95-L102 HydrophobicContact CE2-CD1 4.27Å; F95-L102 HydrophobicContact CG-CD1 4.13Å; F95-L102 HydrophobicContact CZ-CD1 4.24Å; F95-L102 HydrophobicContact CZ-CD2 4.02Å; F95-L102 HydrophobicContact CZ-CG 4.28Å; D100-L102 PolarHBondContact O-N 3.26Å; L102-A105 WeakPolarHBondContact O-CB 3.27Å; L102-A105 PolarHBondContact O-N 3.22Å; L102-A106 WeakPolarHBondContact O-CB 3.5Å; L102-A106 PolarHBondContact O-N 3.01Å; L102-I130 HydrophobicContact CB-CG2 4.18Å; L102-I130 HydrophobicContact CD2-CG2 4.38Å; L102-I130 WeakPolarHBondContact O-CG2 3.47Å; L102-E133 HydrophobicContact CD1-CB 4.49Å; L102-E133 HydrophobicContact CD1-CG 4.29Å; L102-L134 HydrophobicContact CB-CD1 4.48Å; L102-L134 HydrophobicContact CB-CD2 3.66Å; L102-L134 HydrophobicContact CB-CG 4.01Å; L102-L134 HydrophobicContact CD1-CD2 4.08Å; L102-L134 HydrophobicContact CD1-CG 4.32Å
103L83Confident77Confident95 Ų9561.2 Ų61.250%0.49733%0.326SS..Hα-helixtrans-67.7-41.9173.3-69.2171.5000111.5D100 A105 A106 S107 L134D100-L103 PolarHBondContact O-N 2.78Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 3.45Å; L103-A106 PolarHBondContact O-N 3.03Å; L103-S107 PolarHBondContact O-N 3.43Å; L103-S107 PolarHBondContact O-OG 3.43Å; L103-L134 HydrophobicContact CD2-CD1 3.83Å; L103-L134 HydrophobicContact CD2-CD2 4.44Å; L103-L134 HydrophobicContact CG-CD1 4.46Å; L103-L134 HydrophobicContact CG-CD2 4.35Å
104K86.6Confident78Confident63 Ų6362.6 Ų62.627%0.27433%0.333SS..Hα-helixtrans-61.9-37.4172.4-170.1179.2176.8-176.10110.8E60 D100 L101 S107 T108E60-K104 IonicContact OE1-NZ 3.65Å; E60-K104 PolarHBondContact OE1-NZ 2.98Å; D100-K104 VanDerWaalsContact O-CB 3.25Å; D100-K104 WeakPolarHBondContact O-CB 3.28Å; D100-K104 PolarHBondContact O-N 3.35Å; L101-K104 PolarHBondContact O-N 2.99Å; K104-S107 WeakPolarHBondContact CA-OG 3.36Å; K104-S107 PolarHBondContact O-OG 2.83Å; K104-T108 WeakPolarHBondContact O-CB 3.37Å; K104-T108 PolarHBondContact O-N 2.66Å; K104-T108 VanDerWaalsContact O-N 3.11Å; K104-T108 PolarHBondContact O-OG1 3.17Å
105A86.1Confident78.7Confident0 Ų057.5 Ų57.50%031%0.308CS..Hα-helixtrans-65.8-52173.100000111.7L63 F85 L101 L102 L103 S107 T108 Y109 I130L63-A105 HydrophobicContact CD1-CB 3.94Å; L63-A105 HydrophobicContact CD2-CB 3.64Å; L63-A105 HydrophobicContact CG-CB 4.38Å; F85-A105 HydrophobicContact CE1-CB 4.25Å; F85-A105 HydrophobicContact CE2-CB 3.76Å; F85-A105 HydrophobicContact CZ-CB 3.35Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 2.85Å; L102-A105 WeakPolarHBondContact O-CB 3.27Å; L102-A105 PolarHBondContact O-N 3.22Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 3.45Å; A105-S107 PolarHBondContact O-N 3.32Å; A105-T108 CarbonylContact O-C 3.34Å; A105-T108 WeakPolarHBondContact O-CA 3.34Å; A105-T108 WeakPolarHBondContact O-CB 3.33Å; A105-T108 PolarHBondContact O-N 3.45Å; A105-Y109 HydrophobicContact CB-CD2 4.25Å; A105-Y109 HydrophobicContact CB-CE2 4.22Å; A105-Y109 WeakPolarHBondContact O-CD2 3.47Å; A105-Y109 PolarHBondContact O-N 3.35Å; A105-I130 HydrophobicContact CB-CD1 4.13Å
106A85Confident79.1Confident16 Ų1660.1 Ų60.113%0.13233%0.328CS..Hα-helixtrans-56.1-49.1179.700000111.4L102 L103 T108 Y109 H110 L127 I130L102-A106 WeakPolarHBondContact O-CB 3.5Å; L102-A106 PolarHBondContact O-N 3.01Å; L103-A106 PolarHBondContact O-N 3.03Å; A106-T108 VanDerWaalsContact C-N 3.29Å; A106-T108 PolarHBondContact O-N 2.97Å; A106-Y109 PolarHBondContact O-N 2.76Å; A106-H110 WeakPolarHBondContact O-CB 3.41Å; A106-H110 PolarHBondContact O-CD2 3.35Å; A106-H110 PolarHBondContact O-N 3.31Å; A106-L127 HydrophobicContact CB-CD2 4.14Å; A106-L127 WeakPolarHBondContact O-CD2 3.43Å; A106-I130 HydrophobicContact CB-CG2 4.04Å
107S86.3Confident79.3Confident57 Ų5764 Ų6440%0.39935%0.35SS..Hα-helixtrans-61.5-36.1176.456.30000113L103 K104 A105L103-S107 PolarHBondContact O-N 3.43Å; L103-S107 PolarHBondContact O-OG 3.43Å; K104-S107 WeakPolarHBondContact CA-OG 3.36Å; K104-S107 PolarHBondContact O-OG 2.83Å; A105-S107 PolarHBondContact O-N 3.32Å
108T86.3Confident79.7Confident1 Ų161.6 Ų61.61%0.00634%0.335CS..Hα-helixtrans-68.1-50176.2-57.30000110.6T66 R67 K104 A105 A106 H110 R111 F112T66-T108 HydrophobicContact CG2-CG2 4.24Å; R67-T108 HydrophobicContact CG-CG2 3.76Å; R67-T108 PolarHBondContact NE-OG1 3.43Å; R67-T108 PolarHBondContact NH2-OG1 2.78Å; K104-T108 WeakPolarHBondContact O-CB 3.37Å; K104-T108 PolarHBondContact O-N 2.66Å; K104-T108 VanDerWaalsContact O-N 3.11Å; K104-T108 PolarHBondContact O-OG1 3.17Å; A105-T108 CarbonylContact O-C 3.34Å; A105-T108 WeakPolarHBondContact O-CA 3.34Å; A105-T108 WeakPolarHBondContact O-CB 3.33Å; A105-T108 PolarHBondContact O-N 3.45Å; A106-T108 VanDerWaalsContact C-N 3.29Å; A106-T108 PolarHBondContact O-N 2.97Å; T108-H110 VanDerWaalsContact C-N 3.34Å; T108-H110 PolarHBondContact O-N 3.29Å; T108-R111 WeakPolarHBondContact O-CB 3.24Å; T108-R111 PolarHBondContact O-N 3.33Å; T108-R111 VanDerWaalsContact O-N 3.14Å; T108-F112 HydrophobicContact CG2-CE2 4.04Å; T108-F112 VanDerWaalsContact O-CD2 3.23Å; T108-F112 WeakPolarHBondContact O-CD2 3.39Å
109Y84.7Confident80.2Confident0 Ų056.9 Ų56.90%031%0.306CS..Hα-helixtrans-65.4-31.4178.4-72.6-63.1000113.7L63 T66 F85 A105 A106 R111 F112 L126 I130L63-Y109 HydrophobicContact CD2-CE2 4.08Å; T66-Y109 HydrophobicContact CG2-CE1 4.09Å; F85-Y109 VanDerWaalsContact CB-OH 3.24Å; F85-Y109 WeakPolarHBondContact CB-OH 3.47Å; F85-Y109 AromaticContact CD1-CE2 3.8Å; F85-Y109 HydrophobicContact CD1-CE2 3.8Å; F85-Y109 HydrophobicContact CD2-CE2 4.22Å; F85-Y109 AromaticContact CE1-CE2 3.9Å; F85-Y109 HydrophobicContact CE1-CE2 3.9Å; F85-Y109 HydrophobicContact CE2-CE2 4.3Å; F85-Y109 AromaticContact CG-CE2 3.98Å; F85-Y109 HydrophobicContact CG-CE2 3.98Å; F85-Y109 VanDerWaalsContact CG-OH 3.27Å; F85-Y109 WeakPolarHBondContact CG-OH 3.29Å; F85-Y109 HydrophobicContact CZ-CE2 4.16Å; A105-Y109 HydrophobicContact CB-CD2 4.25Å; A105-Y109 HydrophobicContact CB-CE2 4.22Å; A105-Y109 WeakPolarHBondContact O-CD2 3.47Å; A105-Y109 PolarHBondContact O-N 3.35Å; A106-Y109 PolarHBondContact O-N 2.76Å; Y109-R111 PolarHBondContact O-N 3.03Å; Y109-F112 HydrophobicContact CD1-CD2 4.34Å; Y109-F112 WeakPolarHBondContact O-CB 3.39Å; Y109-F112 PolarHBondContact O-N 3.33Å; Y109-L126 HydrophobicContact CD1-CD2 3.82Å; Y109-L126 HydrophobicContact CD2-CD2 3.91Å; Y109-L126 HydrophobicContact CE1-CD2 3.52Å; Y109-L126 HydrophobicContact CE2-CD2 3.62Å; Y109-L126 HydrophobicContact CG-CD2 4.02Å; Y109-L126 VanDerWaalsContact CZ-CD2 3.42Å; Y109-I130 HydrophobicContact CD2-CD1 3.69Å; Y109-I130 HydrophobicContact CE2-CD1 4.16Å
110H84.4Confident80.6Confident109 Ų10956.1 Ų56.151%0.50530%0.301SS..Hα-helixtrans-57.8-35.9172.3-93.9-65.8000112.4A106 T108 F112 L113 L127A106-H110 WeakPolarHBondContact O-CB 3.41Å; A106-H110 PolarHBondContact O-CD2 3.35Å; A106-H110 PolarHBondContact O-N 3.31Å; T108-H110 VanDerWaalsContact C-N 3.34Å; T108-H110 PolarHBondContact O-N 3.29Å; H110-F112 PolarHBondContact O-N 3.42Å; H110-L113 WeakPolarHBondContact ND1-CD1 3.25Å; H110-L113 VanDerWaalsContact O-CB 3.3Å; H110-L113 WeakPolarHBondContact O-CB 3.33Å; H110-L113 WeakPolarHBondContact O-CG 3.43Å; H110-L113 PolarHBondContact O-N 2.95Å; H110-L113 VanDerWaalsContact O-N 3.17Å; H110-L127 WeakPolarHBondContact CD2-CD2 3.38Å; H110-L127 WeakPolarHBondContact NE2-CD2 3.37Å
111R82.7Confident80.4Confident151 Ų15152.9 Ų52.957%0.5729%0.287SS*.G310 helixtrans-71.6-17.3178.1-59.6175.6177.8-178.8-2.9113.1T108 Y109 L113 T114T108-R111 WeakPolarHBondContact O-CB 3.24Å; T108-R111 PolarHBondContact O-N 3.33Å; T108-R111 VanDerWaalsContact O-N 3.14Å; Y109-R111 PolarHBondContact O-N 3.03Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-T114 PolarHBondContact O-OG1 3.36Å
112F81.3Confident80.2Confident0 Ų054.1 Ų54.10%029%0.293CS..G310 helixtrans-81.9-8.1172.8-70-85.8000113.2T66 Q70 L78 T108 Y109 H110 T114 W115 C123T66-F112 HydrophobicContact CG2-CD2 4.44Å; T66-F112 HydrophobicContact CG2-CE2 3.41Å; T66-F112 VanDerWaalsContact CG2-CE2 3.41Å; T66-F112 HydrophobicContact CG2-CZ 3.47Å; T66-F112 VanDerWaalsContact CG2-CZ 3.47Å; T66-F112 WeakPolarHBondContact O-CZ 3.29Å; Q70-F112 HydrophobicContact CB-CE1 3.95Å; Q70-F112 HydrophobicContact CB-CE2 4.34Å; Q70-F112 HydrophobicContact CB-CZ 3.58Å; Q70-F112 HydrophobicContact CG-CE1 4.01Å; Q70-F112 HydrophobicContact CG-CE2 4.4Å; Q70-F112 HydrophobicContact CG-CZ 3.89Å; L78-F112 HydrophobicContact CD1-CD1 3.68Å; L78-F112 HydrophobicContact CD1-CE1 3.68Å; L78-F112 HydrophobicContact CD1-CG 4.11Å; L78-F112 HydrophobicContact CD1-CZ 4.11Å; L78-F112 HydrophobicContact CD2-CD1 3.77Å; L78-F112 HydrophobicContact CD2-CE1 4.31Å; L78-F112 HydrophobicContact CD2-CG 4.46Å; L78-F112 HydrophobicContact CG-CD1 4.38Å; T108-F112 HydrophobicContact CG2-CE2 4.04Å; T108-F112 VanDerWaalsContact O-CD2 3.23Å; T108-F112 WeakPolarHBondContact O-CD2 3.39Å; Y109-F112 HydrophobicContact CD1-CD2 4.34Å; Y109-F112 WeakPolarHBondContact O-CB 3.39Å; Y109-F112 PolarHBondContact O-N 3.33Å; H110-F112 PolarHBondContact O-N 3.42Å; F112-T114 PolarHBondContact O-N 3.45Å; F112-W115 HydrophobicContact CD1-CD2 4.13Å; F112-W115 AromaticContact CD1-CE2 3.99Å; F112-W115 HydrophobicContact CD1-CG 4.41Å; F112-W115 HydrophobicContact CD1-CZ2 4.42Å; F112-W115 HydrophobicContact CE1-CZ2 4.29Å; F112-W115 VanDerWaalsContact O-CB 3.27Å; F112-W115 WeakPolarHBondContact O-CB 3.2Å; F112-W115 PolarHBondContact O-N 3.22Å; F112-C123 HydrophobicContact CB-CB 4.42Å
113L78.3Confident80.2Confident54 Ų5453.8 Ų53.828%0.28329%0.291SS..G310 helixtrans-65.6-17.3173.9-63.1176.2000113H110 R111 W115 C120 C123 Q124 L127H110-L113 WeakPolarHBondContact ND1-CD1 3.25Å; H110-L113 VanDerWaalsContact O-CB 3.3Å; H110-L113 WeakPolarHBondContact O-CB 3.33Å; H110-L113 WeakPolarHBondContact O-CG 3.43Å; H110-L113 PolarHBondContact O-N 2.95Å; H110-L113 VanDerWaalsContact O-N 3.17Å; R111-L113 VanDerWaalsContact C-N 3.31Å; L113-W115 PolarHBondContact O-N 3.22Å; L113-C120 PolarHBondContact O-SG 3.02Å; L113-C123 HydrophobicContact CD2-CB 4.26Å; L113-Q124 HydrophobicContact CD2-CG 3.49Å; L113-Q124 VanDerWaalsContact CD2-CG 3.49Å; L113-L127 HydrophobicContact CD1-CD1 3.99Å; L113-L127 HydrophobicContact CD2-CD1 3.98Å; L113-L127 HydrophobicContact CG-CD1 4.08Å
114T82.6Confident80Confident120 Ų12054.2 Ų54.274%0.73629%0.291SS*.G310 helixtrans-75.4-7.5174.360.30000112.9R111 F112R111-T114 PolarHBondContact O-OG1 3.36Å; F112-T114 PolarHBondContact O-N 3.45Å
115W78.4Confident79.8Confident27 Ų2757.1 Ų57.110%0.10231%0.305CS..SBendtrans-85.8152.4-178.2-70.343.3000111.2Y75 L78 F112 L113 C120Y75-W115 HydrophobicContact CD1-CD2 4.19Å; Y75-W115 AromaticContact CD1-CE3 3.06Å; Y75-W115 HydrophobicContact CD1-CE3 3.06Å; Y75-W115 HydrophobicContact CD1-CH2 4.14Å; Y75-W115 AromaticContact CD1-CZ3 3.02Å; Y75-W115 HydrophobicContact CD1-CZ3 3.02Å; Y75-W115 HydrophobicContact CD2-CZ3 4Å; Y75-W115 AromaticContact CE1-CD2 3.72Å; Y75-W115 HydrophobicContact CE1-CD2 3.72Å; Y75-W115 AromaticContact CE1-CE3 2.99Å; Y75-W115 HydrophobicContact CE1-CE3 2.99Å; Y75-W115 HydrophobicContact CE1-CG 4.49Å; Y75-W115 AromaticContact CE1-CH2 3.99Å; Y75-W115 HydrophobicContact CE1-CH2 3.99Å; Y75-W115 AromaticContact CE1-CZ3 3.15Å; Y75-W115 HydrophobicContact CE1-CZ3 3.15Å; Y75-W115 HydrophobicContact CE2-CH2 4.41Å; Y75-W115 HydrophobicContact CE2-CZ3 4.11Å; Y75-W115 AromaticContact CG-CE3 3.98Å; Y75-W115 HydrophobicContact CG-CE3 3.98Å; Y75-W115 HydrophobicContact CG-CH2 4.36Å; Y75-W115 AromaticContact CG-CZ3 3.44Å; Y75-W115 HydrophobicContact CG-CZ3 3.44Å; Y75-W115 VanDerWaalsContact CG-CZ3 3.44Å; Y75-W115 AromaticContact CZ-CE3 3.89Å; Y75-W115 AromaticContact CZ-CZ3 3.69Å; L78-W115 HydrophobicContact CD2-CE3 4.1Å; F112-W115 HydrophobicContact CD1-CD2 4.13Å; F112-W115 AromaticContact CD1-CE2 3.99Å; F112-W115 HydrophobicContact CD1-CG 4.41Å; F112-W115 HydrophobicContact CD1-CZ2 4.42Å; F112-W115 HydrophobicContact CE1-CZ2 4.29Å; F112-W115 VanDerWaalsContact O-CB 3.27Å; F112-W115 WeakPolarHBondContact O-CB 3.2Å; F112-W115 PolarHBondContact O-N 3.22Å; L113-W115 PolarHBondContact O-N 3.22Å; W115-C120 WeakPolarHBondContact O-CB 3.22Å
116P74.7Confident79.6Confident79 Ų7957.5 Ų57.551%0.51331%0.307SS..PPolyproline II helixtrans-65.3157.8-179.826.4-34.3000112.9Y75 Y119Y75-P116 HydrophobicContact CE1-CG 4.32Å; P116-Y119 WeakPolarHBondContact O-CD2 3.48Å; P116-Y119 PolarHBondContact O-N 2.97Å
117V69.4Low79.5Confident124 Ų12457.5 Ų57.575%0.75231%0.305SS*.THydrogen-bonded Turntrans-57.8136.6170.8177.40000109.1
118P68.2Low79.4Confident68 Ų6859.4 Ų59.444%0.44232%0.315SS..THydrogen-bonded Turncis-96.13.61537.5-36.6000115.9S121 I122P118-S121 PolarHBondContact O-N 3.3Å; P118-S121 PolarHBondContact O-OG 3.26Å; P118-I122 WeakPolarHBondContact O-CG1 3.08Å; P118-I122 PolarHBondContact O-N 3.27Å
119Y73.2Confident79.1Confident51 Ų5160.4 Ų60.420%0.232%0.319CS..Hα-helixtrans-69.3-39.1-173.9-57.3-70.6000112.4Y75 L78 P116 S121 I122 C123Y75-Y119 HydrophobicContact CD1-CD2 4.06Å; Y75-Y119 AromaticContact CD1-CE2 3.83Å; Y75-Y119 HydrophobicContact CD1-CE2 3.83Å; Y75-Y119 HydrophobicContact CG-CE2 4.42Å; L78-Y119 HydrophobicContact CB-CD1 4.45Å; L78-Y119 HydrophobicContact CD2-CD1 3.84Å; L78-Y119 HydrophobicContact CD2-CG 4Å; L78-Y119 HydrophobicContact CG-CD1 4.41Å; P116-Y119 WeakPolarHBondContact O-CD2 3.48Å; P116-Y119 PolarHBondContact O-N 2.97Å; Y119-S121 VanDerWaalsContact C-N 3.35Å; Y119-S121 PolarHBondContact O-N 2.86Å; Y119-I122 PolarHBondContact O-N 3.36Å; Y119-C123 PolarHBondContact O-N 2.86Å; Y119-C123 PolarHBondContact O-SG 3.46Å
120C76.1Confident79Confident20 Ų2060.4 Ų60.414%0.13532%0.319CS..Hα-helixtrans-59.6-42.1177.4-176.90000112.3L113 W115 C123 Q124L113-C120 PolarHBondContact O-SG 3.02Å; W115-C120 WeakPolarHBondContact O-CB 3.22Å; C120-C123 PolarHBondContact O-N 3.45Å; C120-Q124 VanDerWaalsContact O-CG 3.31Å; C120-Q124 WeakPolarHBondContact O-CG 3.24Å; C120-Q124 PolarHBondContact O-N 3.01Å
121S77.1Confident78.9Confident48 Ų4858.7 Ų58.734%0.33631%0.314SS..Hα-helixtrans-66.1-40.7178.145.90000112.4P118 Y119 C123 Q124 E125P118-S121 PolarHBondContact O-N 3.3Å; P118-S121 PolarHBondContact O-OG 3.26Å; Y119-S121 VanDerWaalsContact C-N 3.35Å; Y119-S121 PolarHBondContact O-N 2.86Å; S121-C123 VanDerWaalsContact C-N 3.34Å; S121-C123 PolarHBondContact O-N 3.13Å; S121-Q124 PolarHBondContact O-N 2.92Å; S121-E125 PolarHBondContact O-N 3.16Å
122I79.3Confident78.5Confident45 Ų4553.7 Ų53.723%0.23130%0.304CS..Hα-helixtrans-62.8-43.8175.5-62.5166.3000110.2A82 P118 Y119 Q124 E125 L126A82-I122 HydrophobicContact CB-CG2 4.31Å; P118-I122 WeakPolarHBondContact O-CG1 3.08Å; P118-I122 PolarHBondContact O-N 3.27Å; Y119-I122 PolarHBondContact O-N 3.36Å; I122-Q124 PolarHBondContact O-N 2.88Å; I122-E125 PolarHBondContact O-N 3.41Å; I122-L126 WeakPolarHBondContact O-CB 3.28Å; I122-L126 PolarHBondContact O-N 3Å
123C80.3Confident78.2Confident1 Ų153.9 Ų53.91%0.00731%0.305CS..Hα-helixtrans-65.5-36.7177.1-67.50000112.3F112 L113 Y119 C120 S121 L126 L127F112-C123 HydrophobicContact CB-CB 4.42Å; L113-C123 HydrophobicContact CD2-CB 4.26Å; Y119-C123 PolarHBondContact O-N 2.86Å; Y119-C123 PolarHBondContact O-SG 3.46Å; C120-C123 PolarHBondContact O-N 3.45Å; S121-C123 VanDerWaalsContact C-N 3.34Å; S121-C123 PolarHBondContact O-N 3.13Å; C123-L126 PolarHBondContact O-N 3.33Å; C123-L127 VanDerWaalsContact O-CB 3.28Å; C123-L127 WeakPolarHBondContact O-CB 3.31Å; C123-L127 VanDerWaalsContact O-CD1 3.32Å; C123-L127 WeakPolarHBondContact O-CD1 3.45Å; C123-L127 VanDerWaalsContact O-CG 3.3Å; C123-L127 WeakPolarHBondContact O-CG 3.46Å; C123-L127 PolarHBondContact O-N 3.31Å
124Q79.8Confident78Confident105 Ų10554.7 Ų54.749%0.49131%0.309SS..Hα-helixtrans-63.7-44.7174.8-76.1176.8-0.600112.4L113 C120 S121 I122 L126 L127 T128L113-Q124 HydrophobicContact CD2-CG 3.49Å; L113-Q124 VanDerWaalsContact CD2-CG 3.49Å; C120-Q124 VanDerWaalsContact O-CG 3.31Å; C120-Q124 WeakPolarHBondContact O-CG 3.24Å; C120-Q124 PolarHBondContact O-N 3.01Å; S121-Q124 PolarHBondContact O-N 2.92Å; I122-Q124 PolarHBondContact O-N 2.88Å; Q124-L126 VanDerWaalsContact C-N 3.31Å; Q124-L126 PolarHBondContact O-N 2.82Å; Q124-L127 PolarHBondContact O-N 3.4Å; Q124-T128 WeakPolarHBondContact O-CB 3.44Å; Q124-T128 PolarHBondContact O-N 2.88Å; Q124-T128 PolarHBondContact O-OG1 3.42Å
125E81.8Confident77.6Confident123 Ų12356.3 Ų56.358%0.57531%0.306SS*.Hα-helixtrans-61.5-43.2174.3-73.7-174.2-158.200111.1S121 I122 T128 F129S121-E125 PolarHBondContact O-N 3.16Å; I122-E125 PolarHBondContact O-N 3.41Å; E125-T128 PolarHBondContact O-N 3.17Å; E125-F129 WeakPolarHBondContact O-CB 3.21Å; E125-F129 PolarHBondContact O-N 3.28Å
126L81.6Confident77.1Confident8 Ų856.4 Ų56.44%0.04231%0.312CS..Hα-helixtrans-64.9-41.1178.1-167.863.4000112.2A82 F85 Y86 Y109 I122 C123 Q124 F129 I130A82-L126 HydrophobicContact CB-CD2 4.07Å; F85-L126 HydrophobicContact CD1-CD1 4.09Å; F85-L126 HydrophobicContact CD1-CD2 4.07Å; F85-L126 HydrophobicContact CD1-CG 4.35Å; Y86-L126 HydrophobicContact CD2-CD1 3.93Å; Y86-L126 HydrophobicContact CG-CD1 4.44Å; Y109-L126 HydrophobicContact CD1-CD2 3.82Å; Y109-L126 HydrophobicContact CD2-CD2 3.91Å; Y109-L126 HydrophobicContact CE1-CD2 3.52Å; Y109-L126 HydrophobicContact CE2-CD2 3.62Å; Y109-L126 HydrophobicContact CG-CD2 4.02Å; Y109-L126 VanDerWaalsContact CZ-CD2 3.42Å; I122-L126 WeakPolarHBondContact O-CB 3.28Å; I122-L126 PolarHBondContact O-N 3Å; C123-L126 PolarHBondContact O-N 3.33Å; Q124-L126 VanDerWaalsContact C-N 3.31Å; Q124-L126 PolarHBondContact O-N 2.82Å; L126-F129 HydrophobicContact CD1-CD1 4.3Å; L126-F129 WeakPolarHBondContact O-CB 3.42Å; L126-F129 PolarHBondContact O-N 2.86Å; L126-I130 HydrophobicContact CG-CD1 4.17Å; L126-I130 VanDerWaalsContact O-CG1 3.26Å; L126-I130 WeakPolarHBondContact O-CG1 3.35Å; L126-I130 PolarHBondContact O-N 2.95Å
127L84Confident76.5Confident17 Ų1757.1 Ų57.19%0.08932%0.317CS..Hα-helixtrans-61.5-43.4174.3-85.4155.6000111.7A106 H110 L113 C123 Q124 F129 I130 D131A106-L127 HydrophobicContact CB-CD2 4.14Å; A106-L127 WeakPolarHBondContact O-CD2 3.43Å; H110-L127 WeakPolarHBondContact CD2-CD2 3.38Å; H110-L127 WeakPolarHBondContact NE2-CD2 3.37Å; L113-L127 HydrophobicContact CD1-CD1 3.99Å; L113-L127 HydrophobicContact CD2-CD1 3.98Å; L113-L127 HydrophobicContact CG-CD1 4.08Å; C123-L127 VanDerWaalsContact O-CB 3.28Å; C123-L127 WeakPolarHBondContact O-CB 3.31Å; C123-L127 VanDerWaalsContact O-CD1 3.32Å; C123-L127 WeakPolarHBondContact O-CD1 3.45Å; C123-L127 VanDerWaalsContact O-CG 3.3Å; C123-L127 WeakPolarHBondContact O-CG 3.46Å; C123-L127 PolarHBondContact O-N 3.31Å; Q124-L127 PolarHBondContact O-N 3.4Å; L127-F129 VanDerWaalsContact C-N 3.28Å; L127-F129 PolarHBondContact O-N 3.47Å; L127-I130 PolarHBondContact O-N 2.88Å; L127-D131 WeakPolarHBondContact O-CB 3.26Å; L127-D131 PolarHBondContact O-N 2.82Å
128T82.9Confident76.1Confident97 Ų9752.2 Ų52.260%0.59529%0.292SS*.Hα-helixtrans-62.5-38.9175.5-540000111Q124 E125 A132Q124-T128 WeakPolarHBondContact O-CB 3.44Å; Q124-T128 PolarHBondContact O-N 2.88Å; Q124-T128 PolarHBondContact O-OG1 3.42Å; E125-T128 PolarHBondContact O-N 3.17Å; T128-A132 WeakPolarHBondContact O-CB 3.43Å; T128-A132 PolarHBondContact O-N 3.47Å
129F81Confident75.9Confident22 Ų2252.8 Ų52.810%0.09629%0.29CS..Hα-helixtrans-65.8-44.9174.5172.1-102.8000112.4Y86 V89 L90 E125 L126 L127 A132 E133Y86-F129 AromaticContact CD2-CD1 3.62Å; Y86-F129 HydrophobicContact CD2-CD1 3.62Å; Y86-F129 HydrophobicContact CD2-CD2 4.29Å; Y86-F129 AromaticContact CD2-CE1 3.68Å; Y86-F129 HydrophobicContact CD2-CE1 3.68Å; Y86-F129 HydrophobicContact CD2-CE2 4.32Å; Y86-F129 AromaticContact CD2-CG 3.93Å; Y86-F129 HydrophobicContact CD2-CG 3.93Å; Y86-F129 HydrophobicContact CD2-CZ 4.05Å; Y86-F129 HydrophobicContact CE2-CB 4.35Å; Y86-F129 AromaticContact CE2-CD1 3.74Å; Y86-F129 HydrophobicContact CE2-CD1 3.74Å; Y86-F129 AromaticContact CE2-CD2 3.53Å; Y86-F129 HydrophobicContact CE2-CD2 3.53Å; Y86-F129 AromaticContact CE2-CE1 3.79Å; Y86-F129 HydrophobicContact CE2-CE1 3.79Å; Y86-F129 AromaticContact CE2-CE2 3.58Å; Y86-F129 HydrophobicContact CE2-CE2 3.58Å; Y86-F129 AromaticContact CE2-CG 3.59Å; Y86-F129 HydrophobicContact CE2-CG 3.59Å; Y86-F129 AromaticContact CE2-CZ 3.72Å; Y86-F129 HydrophobicContact CE2-CZ 3.72Å; V89-F129 HydrophobicContact CB-CE1 3.89Å; V89-F129 HydrophobicContact CB-CZ 4.39Å; V89-F129 HydrophobicContact CG1-CE1 3.5Å; V89-F129 VanDerWaalsContact CG1-CE1 3.5Å; V89-F129 HydrophobicContact CG1-CZ 3.85Å; L90-F129 HydrophobicContact CD2-CE2 3.82Å; L90-F129 HydrophobicContact CD2-CZ 3.72Å; L90-F129 HydrophobicContact CG-CE2 4.37Å; L90-F129 HydrophobicContact CG-CZ 3.89Å; E125-F129 WeakPolarHBondContact O-CB 3.21Å; E125-F129 PolarHBondContact O-N 3.28Å; L126-F129 HydrophobicContact CD1-CD1 4.3Å; L126-F129 WeakPolarHBondContact O-CB 3.42Å; L126-F129 PolarHBondContact O-N 2.86Å; L127-F129 VanDerWaalsContact C-N 3.28Å; L127-F129 PolarHBondContact O-N 3.47Å; F129-A132 PolarHBondContact O-N 2.93Å; F129-E133 PolarHBondContact O-N 3.47Å
130I82.8Confident75.4Confident0 Ų051.4 Ų51.40%029%0.288CS..Hα-helixtrans-62.2-44177.1-67.2162.1000110.7F85 L102 A105 A106 Y109 L126 L127 A132 E133 L134F85-I130 HydrophobicContact CE1-CD1 3.7Å; F85-I130 HydrophobicContact CE1-CG1 3.85Å; F85-I130 HydrophobicContact CZ-CD1 4.23Å; F85-I130 HydrophobicContact CZ-CG1 4.44Å; L102-I130 HydrophobicContact CB-CG2 4.18Å; L102-I130 HydrophobicContact CD2-CG2 4.38Å; L102-I130 WeakPolarHBondContact O-CG2 3.47Å; A105-I130 HydrophobicContact CB-CD1 4.13Å; A106-I130 HydrophobicContact CB-CG2 4.04Å; Y109-I130 HydrophobicContact CD2-CD1 3.69Å; Y109-I130 HydrophobicContact CE2-CD1 4.16Å; L126-I130 HydrophobicContact CG-CD1 4.17Å; L126-I130 VanDerWaalsContact O-CG1 3.26Å; L126-I130 WeakPolarHBondContact O-CG1 3.35Å; L126-I130 PolarHBondContact O-N 2.95Å; L127-I130 PolarHBondContact O-N 2.88Å; I130-A132 VanDerWaalsContact C-N 3.34Å; I130-A132 PolarHBondContact O-N 2.9Å; I130-E133 PolarHBondContact O-N 2.91Å; I130-L134 HydrophobicContact CG2-CD1 4.07Å; I130-L134 HydrophobicContact CG2-CG 4.42Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 WeakPolarHBondContact O-CG 3.29Å; I130-L134 PolarHBondContact O-N 3.19Å
131D81Confident74.8Confident73 Ų7355.9 Ų55.939%0.3930%0.303SS..Hα-helixtrans-63.5-39.1177.2-179.167.9000112L127 L134 K135L127-D131 WeakPolarHBondContact O-CB 3.26Å; L127-D131 PolarHBondContact O-N 2.82Å; D131-L134 PolarHBondContact O-N 3.07Å; D131-K135 WeakPolarHBondContact O-CB 3.4Å; D131-K135 VanDerWaalsContact O-CG 3.3Å; D131-K135 WeakPolarHBondContact O-CG 3.39Å; D131-K135 PolarHBondContact O-N 3.36Å; D131-K135 WeakPolarHBondContact OD1-CE 3.42Å; D131-K135 IonicContact OD1-NZ 3.43Å; D131-K135 PolarHBondContact OD1-NZ 3.09Å; D131-K135 VanDerWaalsContact OD2-CE 3.29Å; D131-K135 WeakPolarHBondContact OD2-CE 3.46Å; D131-K135 IonicContact OD2-NZ 3.11Å; D131-K135 PolarHBondContact OD2-NZ 3.18Å
132A75.4Confident74Confident45 Ų4558.4 Ų58.437%0.37231%0.31SS..Hα-helixtrans-65-40.1173.600000112.4T128 F129 I130 K135 A136T128-A132 WeakPolarHBondContact O-CB 3.43Å; T128-A132 PolarHBondContact O-N 3.47Å; F129-A132 PolarHBondContact O-N 2.93Å; I130-A132 VanDerWaalsContact C-N 3.34Å; I130-A132 PolarHBondContact O-N 2.9Å; A132-K135 PolarHBondContact O-N 3.39Å; A132-A136 PolarHBondContact O-N 3Å
133E75.4Confident73.1Confident5 Ų564.5 Ų64.52%0.02333%0.33CS..Hα-helixtrans-70.6-36177.9-159.664.9-158.900112V89 F95 L102 F129 I130 A136 P137 G138 S140V89-E133 HydrophobicContact CG1-CG 4.1Å; F95-E133 HydrophobicContact CE2-CG 4.43Å; L102-E133 HydrophobicContact CD1-CB 4.49Å; L102-E133 HydrophobicContact CD1-CG 4.29Å; F129-E133 PolarHBondContact O-N 3.47Å; I130-E133 PolarHBondContact O-N 2.91Å; E133-A136 CarbonylContact O-C 3.6Å; E133-A136 PolarHBondContact O-N 3.49Å; E133-P137 VanDerWaalsContact O-CA 3.29Å; E133-P137 WeakPolarHBondContact O-CA 3.25Å; E133-P137 VanDerWaalsContact O-N 3.09Å; E133-G138 PolarHBondContact OE1-N 3Å; E133-S140 WeakPolarHBondContact OE2-CB 3.39Å; E133-S140 PolarHBondContact OE2-OG 3.5Å
134L72.9Confident72.1Confident71 Ų7166 Ų6637%0.37234%0.337SS..Hα-helixtrans-63.9-41.9172-79.3171.5000112.1L102 L103 I130 D131L102-L134 HydrophobicContact CB-CD1 4.48Å; L102-L134 HydrophobicContact CB-CD2 3.66Å; L102-L134 HydrophobicContact CB-CG 4.01Å; L102-L134 HydrophobicContact CD1-CD2 4.08Å; L102-L134 HydrophobicContact CD1-CG 4.32Å; L103-L134 HydrophobicContact CD2-CD1 3.83Å; L103-L134 HydrophobicContact CD2-CD2 4.44Å; L103-L134 HydrophobicContact CG-CD1 4.46Å; L103-L134 HydrophobicContact CG-CD2 4.35Å; I130-L134 HydrophobicContact CG2-CD1 4.07Å; I130-L134 HydrophobicContact CG2-CG 4.42Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 WeakPolarHBondContact O-CG 3.29Å; I130-L134 PolarHBondContact O-N 3.19Å; D131-L134 PolarHBondContact O-N 3.07Å
135K74.8Confident71.1Confident154 Ų15462.8 Ų62.867%0.6733%0.325SS*.Hα-helixtrans-72.5-32.3178.5-74.7170.4179.5165.70112.6D131 A132D131-K135 WeakPolarHBondContact O-CB 3.4Å; D131-K135 VanDerWaalsContact O-CG 3.3Å; D131-K135 WeakPolarHBondContact O-CG 3.39Å; D131-K135 PolarHBondContact O-N 3.36Å; D131-K135 WeakPolarHBondContact OD1-CE 3.42Å; D131-K135 IonicContact OD1-NZ 3.43Å; D131-K135 PolarHBondContact OD1-NZ 3.09Å; D131-K135 VanDerWaalsContact OD2-CE 3.29Å; D131-K135 WeakPolarHBondContact OD2-CE 3.46Å; D131-K135 IonicContact OD2-NZ 3.11Å; D131-K135 PolarHBondContact OD2-NZ 3.18Å; A132-K135 PolarHBondContact O-N 3.39Å
136A67.8Low70Confident28 Ų2863.4 Ų63.423%0.23132%0.322CS..SBendtrans-150.684.3-17700000112.3A132 E133 G138 I139A132-A136 PolarHBondContact O-N 3Å; E133-A136 CarbonylContact O-C 3.6Å; E133-A136 PolarHBondContact O-N 3.49Å; A136-G138 PolarHBondContact O-N 2.71Å; A136-I139 HydrophobicContact CB-CB 4.15Å; A136-I139 HydrophobicContact CB-CD1 3.38Å; A136-I139 HydrophobicContact CB-CG1 3.7Å; A136-I139 PolarHBondContact O-N 2.94Å
137P61.8Low68.9Low94 Ų9466.7 Ų66.761%0.6135%0.351SS*.THydrogen-bonded Turntrans-62.8137.6-176.824.6-33.5000111.2E133 I139E133-P137 VanDerWaalsContact O-CA 3.29Å; E133-P137 WeakPolarHBondContact O-CA 3.25Å; E133-P137 VanDerWaalsContact O-N 3.09Å; P137-I139 PolarHBondContact O-N 2.87Å
138G61.7Low67.5Low22 Ų2270.7 Ų70.723%0.22737%0.369CS..THydrogen-bonded Turntrans79-9.4178.400000115.1E133 A136 S140 Y141 Q142E133-G138 PolarHBondContact OE1-N 3Å; A136-G138 PolarHBondContact O-N 2.71Å; G138-S140 VanDerWaalsContact C-N 3.29Å; G138-S140 PolarHBondContact O-N 3.32Å; G138-Y141 PolarHBondContact O-N 2.94Å; G138-Q142 WeakPolarHBondContact O-CB 3.43Å; G138-Q142 VanDerWaalsContact O-CG 3.28Å; G138-Q142 WeakPolarHBondContact O-CG 3.49Å; G138-Q142 PolarHBondContact O-N 3.48Å
139I64.1Low66.2Low79 Ų7972.3 Ų72.341%0.40537%0.369SS..Hα-helixtrans-64.4-37.9175.9-70.2-161.6000110.5A136 P137 Q142 R143A136-I139 HydrophobicContact CB-CB 4.15Å; A136-I139 HydrophobicContact CB-CD1 3.38Å; A136-I139 HydrophobicContact CB-CG1 3.7Å; A136-I139 PolarHBondContact O-N 2.94Å; P137-I139 PolarHBondContact O-N 2.87Å; I139-Q142 PolarHBondContact O-N 3.29Å; I139-R143 HydrophobicContact CG2-CG 4.04Å; I139-R143 VanDerWaalsContact O-CB 3.29Å; I139-R143 WeakPolarHBondContact O-CB 3.43Å; I139-R143 WeakPolarHBondContact O-CG 3.41Å; I139-R143 PolarHBondContact O-N 3.45Å
140S62.7Low64.8Low22 Ų2274.2 Ų74.215%0.15440%0.396CS..Hα-helixtrans-64.8-45.3178.4-54.90000111.9E133 G138 R143 L144E133-S140 WeakPolarHBondContact OE2-CB 3.39Å; E133-S140 PolarHBondContact OE2-OG 3.5Å; G138-S140 VanDerWaalsContact C-N 3.29Å; G138-S140 PolarHBondContact O-N 3.32Å; S140-R143 PolarHBondContact O-N 2.91Å; S140-L144 WeakPolarHBondContact O-CB 3.41Å; S140-L144 PolarHBondContact O-N 3.29Å
141Y61.6Low63Low115 Ų11578.5 Ų78.545%0.45142%0.418SS..Hα-helixtrans-62.2-46.4174.9180-106.3000111.4L90 G138 R143 L144 V145L90-Y141 WeakPolarHBondContact O-CD2 3.13Å; G138-Y141 PolarHBondContact O-N 2.94Å; Y141-R143 PolarHBondContact O-N 3.49Å; Y141-L144 WeakPolarHBondContact O-CB 3.41Å; Y141-L144 PolarHBondContact O-N 3.4Å; Y141-V145 HydrophobicContact CD1-CG2 4.12Å; Y141-V145 HydrophobicContact CD2-CG2 4.28Å; Y141-V145 HydrophobicContact CE1-CG2 3.75Å; Y141-V145 HydrophobicContact CE2-CG2 3.96Å; Y141-V145 HydrophobicContact CG-CG2 4.39Å; Y141-V145 VanDerWaalsContact O-CG2 3.31Å; Y141-V145 WeakPolarHBondContact O-CG2 3.27Å; Y141-V145 PolarHBondContact O-N 3.49Å
142Q60.6Low61.2Low101 Ų10180.4 Ų80.447%0.47243%0.434SS..Hα-helixtrans-62-42.4176.8-74.4-179.1-0.800112.6G138 I139 L144 V145 R146G138-Q142 WeakPolarHBondContact O-CB 3.43Å; G138-Q142 VanDerWaalsContact O-CG 3.28Å; G138-Q142 WeakPolarHBondContact O-CG 3.49Å; G138-Q142 PolarHBondContact O-N 3.48Å; I139-Q142 PolarHBondContact O-N 3.29Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-V145 PolarHBondContact O-N 2.93Å; Q142-R146 VanDerWaalsContact O-CB 3.26Å; Q142-R146 WeakPolarHBondContact O-CB 3.48Å; Q142-R146 WeakPolarHBondContact O-CG 3.46Å; Q142-R146 PolarHBondContact O-N 3.48Å
143R60.4Low59.8Low173 Ų17385.4 Ų85.465%0.65345%0.453SS*.Hα-helixtrans-63.8-39.3176.1-74.9175.979.7-178.45.7111.1I139 S140 Y141 A147I139-R143 HydrophobicContact CG2-CG 4.04Å; I139-R143 VanDerWaalsContact O-CB 3.29Å; I139-R143 WeakPolarHBondContact O-CB 3.43Å; I139-R143 WeakPolarHBondContact O-CG 3.41Å; I139-R143 PolarHBondContact O-N 3.45Å; S140-R143 PolarHBondContact O-N 2.91Å; Y141-R143 PolarHBondContact O-N 3.49Å; R143-A147 VanDerWaalsContact O-CB 3.27Å; R143-A147 WeakPolarHBondContact O-CB 2.9Å; R143-A147 PolarHBondContact O-N 3.16Å
144L60Low58.2Low32 Ų3295 Ų9517%0.16849%0.489CS..Hα-helixtrans-65.3-51.9175.1-173.6133.2000111.1L90 S140 Y141 Q142 R146 A147 E148L90-L144 HydrophobicContact CD1-CD1 3.9Å; L90-L144 HydrophobicContact CD2-CD1 4.46Å; S140-L144 WeakPolarHBondContact O-CB 3.41Å; S140-L144 PolarHBondContact O-N 3.29Å; Y141-L144 WeakPolarHBondContact O-CB 3.41Å; Y141-L144 PolarHBondContact O-N 3.4Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.3Å; L144-A147 PolarHBondContact O-N 3.46Å; L144-E148 HydrophobicContact CD2-CG 4.45Å; L144-E148 HydrophobicContact CG-CG 4.48Å; L144-E148 WeakPolarHBondContact O-CB 3.38Å; L144-E148 WeakPolarHBondContact O-CG 3.37Å; L144-E148 PolarHBondContact O-N 2.65Å
145V59.3Low56.9Low38 Ų3896.4 Ų96.423%0.2351%0.505CS..Hα-helixtrans-56.8-41.3176.6172.10000111.3Y141 Q142 E148 Q149Y141-V145 HydrophobicContact CD1-CG2 4.12Å; Y141-V145 HydrophobicContact CD2-CG2 4.28Å; Y141-V145 HydrophobicContact CE1-CG2 3.75Å; Y141-V145 HydrophobicContact CE2-CG2 3.96Å; Y141-V145 HydrophobicContact CG-CG2 4.39Å; Y141-V145 VanDerWaalsContact O-CG2 3.31Å; Y141-V145 WeakPolarHBondContact O-CG2 3.27Å; Y141-V145 PolarHBondContact O-N 3.49Å; Q142-V145 PolarHBondContact O-N 2.93Å; V145-E148 PolarHBondContact O-N 2.81Å; V145-Q149 HydrophobicContact CG1-CG 4.47Å; V145-Q149 WeakPolarHBondContact O-CB 3.44Å; V145-Q149 VanDerWaalsContact O-CG 3.3Å; V145-Q149 WeakPolarHBondContact O-CG 3.39Å; V145-Q149 PolarHBondContact O-N 3.41Å
146R58.8Low55.2Low135 Ų13595.2 Ų95.251%0.50950%0.502SS..Hα-helixtrans-69.4-41.4178-73.5172.4-179.9177.33.6113.1Q142 L144 E148 Q149 G150 L151Q142-R146 VanDerWaalsContact O-CB 3.26Å; Q142-R146 WeakPolarHBondContact O-CB 3.48Å; Q142-R146 WeakPolarHBondContact O-CG 3.46Å; Q142-R146 PolarHBondContact O-N 3.48Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.3Å; R146-E148 PolarHBondContact O-N 2.95Å; R146-Q149 PolarHBondContact O-N 3.06Å; R146-G150 PolarHBondContact O-N 3.28Å; R146-G150 VanDerWaalsContact O-N 3.09Å; R146-L151 HydrophobicContact CB-CB 4.43Å; R146-L151 HydrophobicContact CG-CB 4.5Å; R146-L151 HydrophobicContact CG-CD1 4.49Å; R146-L151 PolarHBondContact O-N 2.85Å
147A57.3Low53.8Low78 Ų78104.6 Ų104.665%0.64553%0.531SS*.Hα-helixtrans-61.4-37174.300000111.4R143 L144 G150R143-A147 VanDerWaalsContact O-CB 3.27Å; R143-A147 WeakPolarHBondContact O-CB 2.9Å; R143-A147 PolarHBondContact O-N 3.16Å; L144-A147 PolarHBondContact O-N 3.46Å; A147-G150 PolarHBondContact O-N 3.44Å
148E55.2Low52.5Low101 Ų101104.9 Ų104.947%0.47254%0.535SS..Hα-helixtrans-77.4-31.6-178.8-66.5-76.8162.700113L144 V145 R146 G150 R201L144-E148 HydrophobicContact CD2-CG 4.45Å; L144-E148 HydrophobicContact CG-CG 4.48Å; L144-E148 WeakPolarHBondContact O-CB 3.38Å; L144-E148 WeakPolarHBondContact O-CG 3.37Å; L144-E148 PolarHBondContact O-N 2.65Å; V145-E148 PolarHBondContact O-N 2.81Å; R146-E148 PolarHBondContact O-N 2.95Å; E148-G150 VanDerWaalsContact C-N 3.29Å; E148-R201 WeakPolarHBondContact OE1-CD 3.49Å; E148-R201 IonicContact OE1-CZ 3.93Å; E148-R201 IonicContact OE1-NE 2.96Å; E148-R201 PolarHBondContact OE1-NE 3.08Å; E148-R201 VanDerWaalsContact OE1-NE 3.07Å; E148-R201 IonicContact OE1-NH2 3.05Å; E148-R201 IonicContact OE2-CZ 3.07Å; E148-R201 IonicContact OE2-NE 3.62Å; E148-R201 PolarHBondContact OE2-NE 3.45Å; E148-R201 IonicContact OE2-NH2 3.03Å; E148-R201 PolarHBondContact OE2-NH2 3.37Å
149Q55.9Low51.6Low130 Ų130108.8 Ų108.861%0.60756%0.559SS**THydrogen-bonded Turntrans-85.4-0.7173.8-67.8178.90.500113V145 R146 L151V145-Q149 HydrophobicContact CG1-CG 4.47Å; V145-Q149 WeakPolarHBondContact O-CB 3.44Å; V145-Q149 VanDerWaalsContact O-CG 3.3Å; V145-Q149 WeakPolarHBondContact O-CG 3.39Å; V145-Q149 PolarHBondContact O-N 3.41Å; R146-Q149 PolarHBondContact O-N 3.06Å; Q149-L151 HydrophobicContact CB-CD1 4Å; Q149-L151 HydrophobicContact CB-CG 3.81Å; Q149-L151 PolarHBondContact O-N 3.24Å; Q149-L151 VanDerWaalsContact OE1-CD1 3.27Å
150G51.8Low50.2Low63 Ų63111 Ų11165%0.64958%0.577SS**THydrogen-bonded Turntrans62.723.5-177.500000113.6R146 A147 E148R146-G150 PolarHBondContact O-N 3.28Å; R146-G150 VanDerWaalsContact O-N 3.09Å; A147-G150 PolarHBondContact O-N 3.44Å; E148-G150 VanDerWaalsContact C-N 3.29Å
151L45.2Very low49.4Very low90 Ų90115.8 Ų115.847%0.47161%0.605SS.*  trans-77.7122.4-175.8-67.6176000109.7R146 Q149 I153R146-L151 HydrophobicContact CB-CB 4.43Å; R146-L151 HydrophobicContact CG-CB 4.5Å; R146-L151 HydrophobicContact CG-CD1 4.49Å; R146-L151 PolarHBondContact O-N 2.85Å; Q149-L151 HydrophobicContact CB-CD1 4Å; Q149-L151 HydrophobicContact CB-CG 3.81Å; Q149-L151 PolarHBondContact O-N 3.24Å; Q149-L151 VanDerWaalsContact OE1-CD1 3.27Å; L151-I153 PolarHBondContact O-N 3.22Å
152P41.8Very low48.2Very low112 Ų112115.9 Ų115.973%0.72762%0.62SS**  trans-63.7140-17824.3-32.1000110.8R154P152-R154 VanDerWaalsContact C-N 3.32Å; P152-R154 PolarHBondContact O-N 3.46Å
153I46.3Very low46.8Very low151 Ų151121.1 Ų121.177%0.77464%0.635SS**  trans-59.1100.1163-81.6162.7000106.2L151 S155L151-I153 PolarHBondContact O-N 3.22Å; I153-S155 PolarHBondContact O-N 2.71Å
154R41.3Very low46.2Very low205 Ų205118.2 Ų118.277%0.77464%0.639SS**  trans-73.678.9166.9-161.7177.7-173.2-171.80.8106.6P152 H156P152-R154 VanDerWaalsContact C-N 3.32Å; P152-R154 PolarHBondContact O-N 3.46Å; R154-H156 VanDerWaalsContact CZ-CD2 3.41Å; R154-H156 PolarHBondContact NE-CD2 2.91Å; R154-H156 PolarHBondContact NE-NE2 3.43Å; R154-H156 PolarHBondContact NH2-NE2 3.03Å; R154-H156 PolarHBondContact O-N 3.42Å
155S46.9Very low44.8Very low101 Ų101128.5 Ų128.571%0.70668%0.675SS**  trans-66.289.3161.4-168.60000105.9I153 R157I153-S155 PolarHBondContact O-N 2.71Å; S155-R157 PolarHBondContact O-N 3.18Å
156H38.1Very low43.5Very low129 Ų129134.8 Ų134.860%0.59770%0.702SS**  trans-81.778.5176.9-135-52.5000107.9R154R154-H156 VanDerWaalsContact CZ-CD2 3.41Å; R154-H156 PolarHBondContact NE-CD2 2.91Å; R154-H156 PolarHBondContact NE-NE2 3.43Å; R154-H156 PolarHBondContact NH2-NE2 3.03Å; R154-H156 PolarHBondContact O-N 3.42Å
157R38.4Very low42.3Very low225 Ų225133.5 Ų133.585%0.84971%0.714SS**  trans-100.998.3153-155.1177.1-170.9-177.12.2106.7S155S155-R157 PolarHBondContact O-N 3.18Å
158S35.6Very low41Very low100 Ų100138.1 Ų138.170%0.69973%0.727SS**  trans57.4117.1153.1-50.60000119.7
159S43.1Very low39.6Very low104 Ų104143.7 Ų143.773%0.72774%0.743SS**  trans34.2112.2139.9-160.30000118.3
160T34.8Very low38.3Very low126 Ų126143.3 Ų143.377%0.77375%0.75SS**  -164.3119.3125.5-69.20000107.4P162T160-P162 WeakPolarHBondContact O-CD 3.38Å
161V45.5Very low37Very low122 Ų122145.6 Ų145.674%0.73976%0.757SS**  trans-64.5135.6163.9173.70000108
162P35.6Very low36.2Very low118 Ų118146.3 Ų146.377%0.76677%0.769SS**  trans-126.3139.8132.715.54000111.8T160T160-P162 WeakPolarHBondContact O-CD 3.38Å
163R31.2Very low35.5Very low210 Ų210152.5 Ų152.579%0.79278%0.778SS**  trans-56.7161.9-179.5-74.9177.677.9-139.36.2113.2
164P48.6Very low34.8Very low113 Ų113156.7 Ų156.773%0.73478%0.784SS**  trans-78.6142.8-173.132.9-32.1000110.8
165W30.5Very low34.8Very low247 Ų247152.2 Ų152.294%0.93678%0.781SS**  trans-129.7115.9161.7-92.383.7000110.4
166Q30.9Very low33.9Very low170 Ų170155.5 Ų155.579%0.79479%0.785SS**  trans-67.9143164.1-69.8170-1.700109.9
167S35.5Very low33.3Very low109 Ų109160.2 Ų160.276%0.76280%0.798SS**  trans43.3114.3142.5-61.70000120.1
168L28.7Very low32.7Very low174 Ų174157 Ų15791%0.91179%0.792SS**  -161.5102.9128.7-105.6138000112.4
169R26.8Very low32.3Very low218 Ų218163.4 Ų163.482%0.82380%0.801SS**  trans18.2136.8131.8-121.5-173.7-85.2-111.8-2.9120.7
170T27.7Very low31.5Very low122 Ų122162.6 Ų162.675%0.74880%0.795SS**  trans91.5126.6141.766.60000122.6
171S24.7Very low31.1Very low112 Ų112168.8 Ų168.878%0.78381%0.805SS**  trans89.7107.8134.3-92.40000121.4
172S27.8Very low30.2Very low104 Ų104170.8 Ų170.873%0.72781%0.806SS**  63.5110.1122.4-162.70000119
173R27.9Very low30Very low242 Ų242171.6 Ų171.691%0.91380%0.803SS**  176.8115.3120.6-93.8163.4-167.3-117.94.7111.2
174R31.9Very low29.7Very low240 Ų240166.3 Ų166.391%0.90680%0.804SS**  trans-81170.3145.9-74.1-164.2-173.3-154.64.1107.6
175P40.2Very low28.7Very low110 Ų110166 Ų16671%0.71481%0.805SS**  cis-151.5177.324.743.6-21.8000119.5
176Q28Very low28.4Very low171 Ų171157.6 Ų157.680%0.79979%0.794SS**  trans79.3111.5139.3-133.4116.9-45.100123.6
177R26.5Very low28.2Very low228 Ų228158.5 Ų158.586%0.8680%0.801SS**  -178.9109.4114.8-102-179.1171.8-95.70.7109.4
178H24.5Very low27.9Very low156 Ų156161.5 Ų161.572%0.72281%0.807SS**  84.9104.990.7-132-89.3000114.8
179R28.5Very low28.1Very low236 Ų236162.1 Ų162.189%0.89181%0.805SS**  trans17588.3142.3-96.3173.6-164.1-100.34.1105.6
180S26.3Very low28.3Very low87 Ų87162.9 Ų162.961%0.60881%0.809SS**  53.692.588.6-170.30000112.7
181W25.9Very low29.1Very low255 Ų255162.4 Ų162.497%0.96681%0.808SS**  trans-146.395135.4-77.1107.4000107.5
182H26.7Very low29.4Very low164 Ų164161.3 Ų161.376%0.75981%0.813SS**  trans-83.1124.6163.9-96-89.3000108.8
183L30.2Very low29.5Very low136 Ų136159.2 Ų159.271%0.71281%0.809SS**  trans53.7106.7131.4-70.3158.8000119.8
184A25.1Very low29.7Very low99 Ų99151.6 Ų151.682%0.81881%0.806SS**  -128.4105.8116.200000105.8
185S28.7Very low29.8Very low107 Ų107143.1 Ų143.175%0.74878%0.783SS**  41.5116.585.2-700000112.5
186G23.5Very low29.3Very low69 Ų69138.8 Ų138.871%0.71176%0.759SS**  cis-179.5170.37.100000112.9
187M26.9Very low29.7Very low190 Ų190135.6 Ų135.694%0.93675%0.753SS**  trans59.696151.8-56.6-161.5-173.400119
188L28.8Very low30.2Very low171 Ų171126.7 Ų126.790%0.89573%0.725SS**  -160.192105.3-163.666000109.6
189Q34Very low30.7Very low187 Ų187120.3 Ų120.387%0.87470%0.698SS**  trans-83.7129153-85173.332.300107
190R31.2Very low31.3Very low235 Ų235115.9 Ų115.989%0.88768%0.681SS**  trans-170.2161.9136.5-105.7-163.1133.4-161.5-5.4111.3
191P43.1Very low32.4Very low112 Ų112115.6 Ų115.673%0.72767%0.667SS**  -118.1170.4-129.130.5-10.1000112.7
192G32.3Very low33.3Very low88 Ų88106.2 Ų106.291%0.90763%0.631SS**  trans93.9111.2164.900000113.4
193G29.8Very low34Very low61 Ų61103.2 Ų103.263%0.62962%0.617SS**  trans153.680.7178.900000107.6S195G193-S195 PolarHBondContact O-N 2.98Å
194G30.5Very low34.8Very low82 Ų82104.3 Ų104.385%0.84562%0.616SS**  trans-64.283.4176.700000110.5G196G194-G196 PolarHBondContact O-N 3.14Å
195S34.9Very low35.7Very low61 Ų61104.3 Ų104.343%0.42760%0.598SS.*  trans-67.4113.9161.2-39.30000106.4G193G193-S195 PolarHBondContact O-N 2.98Å
196G30.4Very low36.4Very low20 Ų20100.5 Ų100.521%0.20657%0.569CS.*  trans-53155.1-178.500000112.3G194 S198 C199G194-G196 PolarHBondContact O-N 3.14Å; G196-S198 PolarHBondContact O-N 2.76Å; G196-C199 WeakPolarHBondContact O-CB 3.35Å; G196-C199 PolarHBondContact O-N 3.01Å
197P36.5Very low37.1Very low104 Ų104101.1 Ų101.168%0.67557%0.568SS**Hα-helixtrans-54.8-25.6-174.217.9-29.9000114.1R201P197-R201 PolarHBondContact O-N 3.22Å
198S36.4Very low37.6Very low40 Ų4096.9 Ų96.928%0.2856%0.557SS.*Hα-helixtrans-57.8-52.5169.6-77.90000111.6G196 R200 R201 W202G196-S198 PolarHBondContact O-N 2.76Å; S198-R200 PolarHBondContact O-N 3.4Å; S198-R201 VanDerWaalsContact O-CB 3.24Å; S198-R201 WeakPolarHBondContact O-CB 3.42Å; S198-R201 PolarHBondContact O-N 2.96Å; S198-W202 PolarHBondContact O-N 2.87Å
199C35.7Very low37.9Very low22 Ų2292.9 Ų92.915%0.14954%0.536CS..Hα-helixtrans-61.7-41.8-171.1-153.50000113.3G196 R201 W202 E203G196-C199 WeakPolarHBondContact O-CB 3.35Å; G196-C199 PolarHBondContact O-N 3.01Å; C199-R201 VanDerWaalsContact C-N 3.25Å; C199-R201 PolarHBondContact O-N 3.26Å; C199-W202 PolarHBondContact O-N 3.46Å; C199-E203 PolarHBondContact O-N 3Å
200R40.1Very low37.7Very low144 Ų14487 Ų8754%0.54353%0.526SS..Hα-helixtrans-68.5-20.8175.7-73.7-160.6-99.9-114.92113.9S198 K204S198-R200 PolarHBondContact O-N 3.4Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å; R200-K204 PolarHBondContact O-N 3.4Å
201R49.3Very low37.9Very low81 Ų8184.1 Ų84.131%0.30654%0.539SS..Hα-helixtrans-79-35.8-179.7-172.6-177.8-68.3178.8-0.7111.8E148 P197 S198 C199 K205E148-R201 WeakPolarHBondContact OE1-CD 3.49Å; E148-R201 IonicContact OE1-CZ 3.93Å; E148-R201 IonicContact OE1-NE 2.96Å; E148-R201 PolarHBondContact OE1-NE 3.08Å; E148-R201 VanDerWaalsContact OE1-NE 3.07Å; E148-R201 IonicContact OE1-NH2 3.05Å; E148-R201 IonicContact OE2-CZ 3.07Å; E148-R201 IonicContact OE2-NE 3.62Å; E148-R201 PolarHBondContact OE2-NE 3.45Å; E148-R201 IonicContact OE2-NH2 3.03Å; E148-R201 PolarHBondContact OE2-NH2 3.37Å; P197-R201 PolarHBondContact O-N 3.22Å; S198-R201 VanDerWaalsContact O-CB 3.24Å; S198-R201 WeakPolarHBondContact O-CB 3.42Å; S198-R201 PolarHBondContact O-N 2.96Å; C199-R201 VanDerWaalsContact C-N 3.25Å; C199-R201 PolarHBondContact O-N 3.26Å; R201-K205 PolarHBondContact O-N 3.19Å
202W45.8Very low37.6Very low57 Ų5782.7 Ų82.722%0.21653%0.53CS..Hα-helixtrans-64.4-53172.2-64.995.2000111W33 S87 S198 C199 K204 K205 L206W33-W202 HydrophobicContact CZ3-CB 4.35Å; S87-W202 VanDerWaalsContact CB-CZ2 3.45Å; S87-W202 WeakPolarHBondContact OG-CH2 2.82Å; S87-W202 WeakPolarHBondContact OG-CZ3 3.35Å; S198-W202 PolarHBondContact O-N 2.87Å; C199-W202 PolarHBondContact O-N 3.46Å; W202-K204 VanDerWaalsContact C-N 3.29Å; W202-K204 PolarHBondContact O-N 3.27Å; W202-K205 PolarHBondContact O-N 3.36Å; W202-L206 HydrophobicContact CB-CD1 4.38Å; W202-L206 WeakPolarHBondContact O-CB 3.34Å; W202-L206 WeakPolarHBondContact O-CD1 3.49Å; W202-L206 WeakPolarHBondContact O-CG 3.27Å; W202-L206 PolarHBondContact O-N 3.48Å
203E41.1Very low37.9Very low101 Ų10182.4 Ų82.447%0.47251%0.51SS..Hα-helixtrans-52-44.4177.8-109.4-179.1128.300112.9C199 L206 A207C199-E203 PolarHBondContact O-N 3Å; E203-L206 PolarHBondContact O-N 2.86Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.22Å; E203-A207 PolarHBondContact O-N 2.86Å
204K46Very low38.3Very low159 Ų15983.6 Ų83.669%0.69150%0.504SS*.Hα-helixtrans-68.8-38.8-178.9-78-178.7179.6-176.70113.7R200 W202 L206 S208R200-K204 WeakPolarHBondContact O-CG 3.44Å; R200-K204 PolarHBondContact O-N 3.4Å; W202-K204 VanDerWaalsContact C-N 3.29Å; W202-K204 PolarHBondContact O-N 3.27Å; K204-L206 VanDerWaalsContact C-N 3.32Å; K204-S208 PolarHBondContact O-N 3.21Å
205K43.9Very low38.8Very low99 Ų9983.7 Ų83.743%0.4348%0.483SS..Hα-helixtrans-74.5-28.4179.8-157.8162-171.2177.20111.7Y86 R201 W202 L209Y86-K205 HydrophobicContact CE1-CD 4.32Å; Y86-K205 PolarHBondContact OH-NZ 3.39Å; R201-K205 PolarHBondContact O-N 3.19Å; W202-K205 PolarHBondContact O-N 3.36Å; K205-L209 WeakPolarHBondContact O-CG 3.33Å; K205-L209 PolarHBondContact O-N 3.46Å
206L44Very low39Very low27 Ų2785.1 Ų85.114%0.14149%0.487CS..Hα-helixtrans-76.5-41.9174.5-67.3163.5000112.9W33 L83 W202 E203 K204 S208 L209 G210W33-L206 HydrophobicContact CD2-CD1 4.19Å; W33-L206 HydrophobicContact CE3-CD1 4.05Å; W33-L206 HydrophobicContact CH2-CD1 3Å; W33-L206 HydrophobicContact CH2-CG 4.37Å; W33-L206 HydrophobicContact CZ2-CD1 3.11Å; W33-L206 HydrophobicContact CZ2-CD2 4.28Å; W33-L206 HydrophobicContact CZ2-CG 4.28Å; W33-L206 HydrophobicContact CZ3-CD1 3.47Å; W33-L206 VanDerWaalsContact CZ3-CD1 3.47Å; L83-L206 HydrophobicContact CD1-CD2 3.25Å; L83-L206 HydrophobicContact CD2-CD2 3.38Å; L83-L206 HydrophobicContact CG-CD2 3.87Å; W202-L206 HydrophobicContact CB-CD1 4.38Å; W202-L206 WeakPolarHBondContact O-CB 3.34Å; W202-L206 WeakPolarHBondContact O-CD1 3.49Å; W202-L206 WeakPolarHBondContact O-CG 3.27Å; W202-L206 PolarHBondContact O-N 3.48Å; E203-L206 PolarHBondContact O-N 2.86Å; K204-L206 VanDerWaalsContact C-N 3.32Å; L206-S208 PolarHBondContact O-N 3.46Å; L206-L209 PolarHBondContact O-N 3.3Å; L206-G210 PolarHBondContact O-N 3.25Å
207A38.9Very low39.6Very low83 Ų8389.5 Ų89.569%0.68651%0.506SS*.Hα-helixtrans-60.3-27.417100000112.1E203E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.22Å; E203-A207 PolarHBondContact O-N 2.86Å
208S37.3Very low39.9Very low101 Ų10188.4 Ų88.471%0.70649%0.494SS*.THydrogen-bonded Turntrans-79.7-20.5174.1-173.20000114.2K204 L206K204-S208 PolarHBondContact O-N 3.21Å; L206-S208 PolarHBondContact O-N 3.46Å
209L35.4Very low40.1Very low86 Ų8692.2 Ų92.245%0.4551%0.51SS..THydrogen-bonded Turntrans-90.70.6178.6-75.9167.1000112.8L83 K205 L206L83-L209 HydrophobicContact CD2-CD1 4.3Å; K205-L209 WeakPolarHBondContact O-CG 3.33Å; K205-L209 PolarHBondContact O-N 3.46Å; L206-L209 PolarHBondContact O-N 3.3Å
210G29.8Very low40.5Very low65 Ų6598 Ų9867%0.6754%0.54SS*.THydrogen-bonded Turntrans61.754.116200000115.1L206L206-G210 PolarHBondContact O-N 3.25Å
211C34.4Very low40.5Very low173 Ų17393.8 Ų93.8100%1.16954%0.54SS*.  trans-97.90151.2-770000109.5

Retrieved 211 of 211 residues in 73.3 ms (Link to these results)

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