A0A059QLY9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059QLY9, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M44.1Very low71.9Confident222 Ų222101.6 Ų101.6100%1.09455%0.546SS*.  0120.50-70.3157.795.300105.9E3M1-E3 PolarHBondContact O-N 3.38Å
2N46.1Very low72.9Confident161 Ų16196.3 Ų96.386%0.86152%0.521SS*.  trans-66.589.1168.9-103.315.2000105.9N4N2-N4 PolarHBondContact O-N 3.42Å
3E57.8Low74Confident127 Ų12796.5 Ų96.559%0.59353%0.527SS*.  trans-63.3121.2168-66.6-145.4158.900106.5M1 L5M1-E3 PolarHBondContact O-N 3.38Å; E3-L5 PolarHBondContact O-N 3.31Å
4N74.4Confident75Confident125 Ų12597.5 Ų97.567%0.66853%0.53SS*.  trans-69.881.6179.2-73.1-25.2000108.2N2 F6 A7N2-N4 PolarHBondContact O-N 3.42Å; N4-F6 PolarHBondContact O-N 3.15Å; N4-A7 HydrophobicContact CB-CB 3.86Å; N4-A7 WeakPolarHBondContact O-CB 2.94Å; N4-A7 PolarHBondContact O-N 3.35Å
5L76.1Confident75.7Confident46 Ų46102.7 Ų102.724%0.24156%0.556CS.*THydrogen-bonded Turntrans-52.2-27.4174.7-64175.5000111.7E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.31Å; L5-L169 HydrophobicContact CB-CD2 4.26Å; L5-H172 VanDerWaalsContact CD2-CE1 3.41Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.41Å; L5-L173 HydrophobicContact CD1-CD2 3.8Å; L5-L173 HydrophobicContact CD2-CD2 4.44Å
6F81.6Confident76.2Confident135 Ų135100.6 Ų100.659%0.59257%0.566SS**THydrogen-bonded Turntrans-88.5-5-180-63.6-77.6000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.15Å; F6-S8 PolarHBondContact O-N 3.05Å; F6-F9 HydrophobicContact CB-CD2 4.49Å; F6-F9 AromaticContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CE2 4.29Å; F6-F9 PolarHBondContact O-N 3.3Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.03Å; F6-L169 HydrophobicContact CE1-CD2 4.1Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å
7A80.1Confident76.7Confident52 Ų52102.1 Ų102.143%0.4357%0.572SS.*G310 helixtrans-60.3-32.4-178.200000112.3N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.86Å; N4-A7 WeakPolarHBondContact O-CB 2.94Å; N4-A7 PolarHBondContact O-N 3.35Å; A7-F9 PolarHBondContact O-N 3.35Å; A7-I10 PolarHBondContact O-N 3.12Å
8S79.9Confident77.2Confident54 Ų54100.8 Ų100.838%0.37857%0.569SS.*G310 helixtrans-66.9-21.9176.856.30000113.9F6 F92F6-S8 PolarHBondContact O-N 3.05Å; S8-F92 WeakPolarHBondContact O-CD2 3.35Å
9F82.6Confident77.6Confident23 Ų2396.6 Ų96.610%0.10155%0.547CS..G310 helixtrans-92.1-9.7178.7-57.7-67.8000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CB-CD2 4.49Å; F6-F9 AromaticContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CD2 3.94Å; F6-F9 HydrophobicContact CD1-CE2 4.29Å; F6-F9 PolarHBondContact O-N 3.3Å; A7-F9 PolarHBondContact O-N 3.35Å; F9-A11 PolarHBondContact O-N 2.85Å; F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; F9-Q97 PolarHBondContact O-NE2 3.2Å; F9-T165 HydrophobicContact CD1-CG2 4.35Å; F9-T165 HydrophobicContact CE1-CG2 4.05Å; F9-H168 HydrophobicContact CE1-CB 4.12Å; F9-H168 HydrophobicContact CZ-CB 3.86Å; F9-L169 HydrophobicContact CE2-CD1 4.37Å; F9-L169 HydrophobicContact CE2-CD2 3.7Å; F9-L169 HydrophobicContact CE2-CG 3.74Å; F9-L169 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I84.8Confident78.1Confident121 Ų12192.7 Ų92.762%0.62153%0.527SS*.SBendtrans-70.3128.9178.8-59.8174.1000108.4A7 P12A7-I10 PolarHBondContact O-N 3.12Å; I10-P12 WeakPolarHBondContact O-CD 3.09Å
11A83.8Confident78.4Confident52 Ų5292.1 Ų92.143%0.4353%0.526SS..PPolyproline II helixtrans-58.3120.8179.800000110.3F9 T13 F92F9-A11 PolarHBondContact O-N 2.85Å; A11-T13 PolarHBondContact O-N 3.49Å; A11-F92 HydrophobicContact CB-CZ 4.48Å
12P84.1Confident80.4Confident38 Ų3887.6 Ų87.625%0.24751%0.506CS..PPolyproline II helixtrans-70.8128.5-174.226.5-33.1000110.1I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.09Å; P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.39Å; P12-A19 PolarHBondContact O-N 2.92Å; P12-I23 HydrophobicContact CG-CD1 3.66Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.08Å
13T87Confident82.5Confident98 Ų9882.1 Ų82.160%0.60148%0.476SS*.EExtended strand (participates in β ladder)trans-118.9127.4171.453.30000108.7A11 L17A11-T13 PolarHBondContact O-N 3.49Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å
14I87.4Confident83.9Confident111 Ų11178.5 Ų78.557%0.56946%0.46SS*.EExtended strand (participates in β ladder)trans-114.1121.7177-64.1172.7000106.7G16 L17 A19I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.15Å; I14-L17 PolarHBondContact N-O 2.96Å; I14-L17 PolarHBondContact O-N 3.49Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.92Å
15L85.1Confident84.5Confident175 Ų17578.2 Ų78.292%0.91646%0.458SS*.THydrogen-bonded Turntrans50.236.1-175.8-8099000113.9L17L15-L17 PolarHBondContact O-N 3.35Å
16G83.9Confident85.1Confident70 Ų7080.2 Ų80.272%0.72247%0.465SS*.THydrogen-bonded Turntrans77-1.4-178.700000115.3I14I14-G16 PolarHBondContact O-N 3.42Å; I14-G16 VanDerWaalsContact O-N 3.15Å
17L84.8Confident85.5Confident126 Ų12673.9 Ų73.966%0.6644%0.437SS*.EExtended strand (participates in β ladder)trans-91.7140.4171.3-67.3167.9000110.7T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.27Å; T13-L17 WeakPolarHBondContact CA-O 3.4Å; I14-L17 PolarHBondContact N-O 2.96Å; I14-L17 PolarHBondContact O-N 3.49Å; L15-L17 PolarHBondContact O-N 3.35Å; L17-A19 PolarHBondContact O-N 3.44Å
18P85.5Confident85.7Confident79 Ų7974.8 Ų74.851%0.51344%0.439SS..EExtended strand (participates in β ladder)trans-71.8100.6178.329.3-33.3000110.5A20 V21P18-A20 PolarHBondContact O-N 2.97Å; P18-V21 HydrophobicContact CB-CG2 4.47Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.25Å
19A86.3Confident86.1Confident20 Ų2078.7 Ų78.717%0.16546%0.455CS..THydrogen-bonded Turntrans-67.5-17.717700000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.24Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.39Å; P12-A19 PolarHBondContact O-N 2.92Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.92Å; L17-A19 PolarHBondContact O-N 3.44Å; A19-V21 PolarHBondContact O-N 3.11Å; A19-V21 VanDerWaalsContact O-N 3.17Å; A19-L22 PolarHBondContact O-N 2.98Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A19-I23 PolarHBondContact O-N 3.3Å
20A85.9Confident86.4Confident18 Ų1881.5 Ų81.515%0.14947%0.47CS..Hα-helixtrans-53.2-33.3173.600000113.3P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 2.97Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.45Å; A20-I23 PolarHBondContact O-N 3.01Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.04Å; A20-F92 HydrophobicContact CB-CE1 4.32Å
21V85.8Confident86.5Confident82 Ų8278 Ų7850%0.49745%0.452SS..Hα-helixtrans-63.6-41.9178.8179.80000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.47Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.25Å; A19-V21 PolarHBondContact O-N 3.11Å; A19-V21 VanDerWaalsContact O-N 3.17Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.45Å; V21-I24 PolarHBondContact O-N 3.42Å; V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 2.95Å; V21-L25 VanDerWaalsContact O-N 3.09Å
22L86.5Confident86.7Confident127 Ų12778.1 Ų78.167%0.66545%0.448SS*.Hα-helixtrans-66-38.4178.8-168.5146.6000111A19 A20 L25 F26A19-L22 PolarHBondContact O-N 2.98Å; A19-L22 VanDerWaalsContact O-N 3.09Å; A20-L22 VanDerWaalsContact C-N 3.35Å; A20-L22 PolarHBondContact O-N 3.45Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-F26 PolarHBondContact O-N 3.12Å
23I88.3Confident86.9Confident46 Ų4682.6 Ų82.624%0.23648%0.476CS..Hα-helixtrans-66.4-41.1177.3-58.6171.9000110.8P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.66Å; A19-I23 PolarHBondContact O-N 3.3Å; A20-I23 PolarHBondContact O-N 3.01Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3.45Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.44Å; I23-F26 WeakPolarHBondContact O-CB 3.38Å; I23-F26 PolarHBondContact O-N 3.19Å; I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.91Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å
24I88.5Confident86.9Confident51 Ų5179.7 Ų79.726%0.26246%0.459SS..Hα-helixtrans-64.9-32.4176.4-68.7163.9000111.8A20 V21 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.04Å; V21-I24 PolarHBondContact O-N 3.42Å; I24-P27 WeakPolarHBondContact O-CD 3.31Å; I24-F78 HydrophobicContact CG2-CZ 4.36Å; I24-P94 HydrophobicContact CD1-CB 4.27Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.07Å; I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.12Å
25L87.3Confident86.9Confident119 Ų11984.5 Ų84.562%0.62348%0.476SS*.Hα-helixtrans-81.9-10.8178.7-71.9171.6000114V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.14Å; V21-L25 WeakPolarHBondContact O-CG 3.35Å; V21-L25 PolarHBondContact O-N 2.95Å; V21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 3.25Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.44Å; L25-P28 WeakPolarHBondContact O-CD 3.44Å
26F89.1Confident87Confident87 Ų8785 Ų8538%0.38247%0.467SS..Hα-helixtrans-69.9-43.9-177.5-169.7-93.5000114.9L22 I23 L29 L30 L85L22-F26 PolarHBondContact O-N 3.12Å; I23-F26 WeakPolarHBondContact O-CB 3.38Å; I23-F26 PolarHBondContact O-N 3.19Å; F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.44Å; F26-L29 PolarHBondContact O-N 2.94Å; F26-L30 HydrophobicContact CD1-CD1 4.19Å; F26-L30 HydrophobicContact CD1-CG 4.44Å; F26-L30 HydrophobicContact CE1-CD1 4Å; F26-L30 HydrophobicContact CE1-CD2 4.03Å; F26-L30 HydrophobicContact CE1-CG 4.12Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; F26-L85 HydrophobicContact CD1-CD2 3.4Å; F26-L85 HydrophobicContact CE1-CD1 4.34Å; F26-L85 HydrophobicContact CE1-CD2 3.75Å; F26-L85 HydrophobicContact CG-CD2 4.47Å
27P88.9Confident86.8Confident3 Ų390 Ų902%0.01948%0.476CS..Hα-helixtrans-56.8-41.9-178.2-13.918.8000115.2I23 I24 L29 L30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.12Å; I24-P27 WeakPolarHBondContact O-CD 3.31Å; P27-L29 PolarHBondContact O-N 2.85Å; P27-L30 WeakPolarHBondContact O-CB 3.3Å; P27-L30 PolarHBondContact O-N 2.77Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P27-T81 WeakPolarHBondContact CB-OG1 3.23Å; P27-T82 HydrophobicContact CB-CG2 4.17Å; P27-T82 HydrophobicContact CG-CG2 3.42Å; P27-T82 VanDerWaalsContact CG-CG2 3.42Å
28P85.1Confident86.9Confident70 Ų7091.5 Ų91.546%0.45548%0.483SS..Hα-helixtrans-56-31.3173.6-27.333.8000114.4L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-L30 VanDerWaalsContact C-N 3.25Å; P28-L30 PolarHBondContact O-N 3.37Å; P28-I31 PolarHBondContact O-N 3.23Å
29L88.2Confident87.2Confident137 Ų13788.9 Ų88.972%0.71747%0.465SS*.Hα-helixtrans-68.8-25.3179.6-172.664.3000112.5F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.44Å; F26-L29 PolarHBondContact O-N 2.94Å; P27-L29 PolarHBondContact O-N 2.85Å; L29-I31 PolarHBondContact O-N 3.36Å
30L87.9Confident87.4Confident81 Ų8193.5 Ų93.542%0.42449%0.487SS..THydrogen-bonded Turntrans-74.3-5.8178.8-63.2168.7000113.4F26 P27 P28 P32 L85F26-L30 HydrophobicContact CD1-CD1 4.19Å; F26-L30 HydrophobicContact CD1-CG 4.44Å; F26-L30 HydrophobicContact CE1-CD1 4Å; F26-L30 HydrophobicContact CE1-CD2 4.03Å; F26-L30 HydrophobicContact CE1-CG 4.12Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; P27-L30 WeakPolarHBondContact O-CB 3.3Å; P27-L30 PolarHBondContact O-N 2.77Å; P27-L30 VanDerWaalsContact O-N 3.09Å; P28-L30 VanDerWaalsContact C-N 3.25Å; P28-L30 PolarHBondContact O-N 3.37Å; L30-P32 WeakPolarHBondContact O-CD 3.26Å; L30-L85 HydrophobicContact CD1-CD1 3.28Å
31I88.2Confident87.6Confident48 Ų48102.7 Ų102.725%0.24652%0.518CS..SBendtrans-109.877.8-174.2-57.7170.7000107.8P28 L29 I77P28-I31 PolarHBondContact O-N 3.23Å; L29-I31 PolarHBondContact O-N 3.36Å; I31-I77 HydrophobicContact CD1-CG2 3.36Å; I31-I77 HydrophobicContact CG1-CG2 4.43Å
32P87.3Confident87.8Confident54 Ų54103.2 Ų103.235%0.35152%0.517SS..  trans-66.9143.2-179.127.7-34.3000110.8L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.26Å; P32-L42 HydrophobicContact CG-CD2 3.62Å; P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.42Å; P32-I43 HydrophobicContact CG-CG1 3.96Å
33T87.5Confident88.1Confident133 Ų13398 Ų9882%0.81649%0.49SS*.  trans-108.9141.5171.558.90000109.6
34S87.9Confident88.2Confident37 Ų3798.8 Ų98.826%0.25950%0.497SS..  trans-122.6143.8174.2167.30000109.8Y36 N39S34-Y36 PolarHBondContact OG-N 3.48Å; S34-N39 WeakPolarHBondContact CB-OD1 3.44Å; S34-N39 PolarHBondContact OG-OD1 3.27Å
35K86.6Confident88.4Confident211 Ų211100.4 Ų100.492%0.91751%0.51SS*.  trans-87-13.4174.2-62.1-178.8-178.4178.10112.9
36Y87.1Confident88.6Confident186 Ų18696.6 Ų96.673%0.72949%0.489SS*.SBendtrans-80.4153.2-175.9-60.6-74.1000111.9S34 N39S34-Y36 PolarHBondContact OG-N 3.48Å; Y36-N39 PolarHBondContact O-ND2 3.24Å; Y36-N39 PolarHBondContact O-OD1 3.45Å
37L80Confident88.7Confident176 Ų17697 Ų9792%0.92149%0.492SS*.SBendtrans-72-39.8176.6-174.369.5000111.5
38I87.3Confident88.8Confident157 Ų157104.9 Ų104.981%0.80552%0.521SS*.SBendtrans-100.7114174.8-58.8170000107.3
39N90.6Very high89.1Confident24 Ų24106.3 Ų106.313%0.12852%0.524CS..  trans-108.3166.6-173.3-74.6-20.1000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.44Å; S34-N39 PolarHBondContact OG-OD1 3.27Å; Y36-N39 PolarHBondContact O-ND2 3.24Å; Y36-N39 PolarHBondContact O-OD1 3.45Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.79Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.49Å; N39-T44 HydrophobicContact CB-CG2 4.05Å; N39-Q47 PolarHBondContact ND2-NE2 3.13Å
40N90.9Very high89.3Confident117 Ų117102.2 Ų102.263%0.62650%0.503SS*.  trans-62.6153171.3-166-0.1000111L42 I43 T44N40-L42 PolarHBondContact O-N 3Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 PolarHBondContact O-N 3.13Å; N40-T44 PolarHBondContact O-N 3.12Å
41R90Very high89.5Confident210 Ų210105.5 Ų105.579%0.79251%0.513SS*.Hα-helixtrans-52.8-36.2-178.2-63.8-177.3-179.2-178.50.5113.3T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-OG1 3.3Å; R41-T45 WeakPolarHBondContact O-CG2 3.4Å; R41-T45 PolarHBondContact O-N 2.83Å; R41-T45 PolarHBondContact O-OG1 3.46Å
42L90.4Very high89.6Confident93 Ų93106.4 Ų106.449%0.48752%0.519SS..Hα-helixtrans-65-46.4176.3-172.2157.4000111.2P32 N40 T44 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.62Å; N40-L42 PolarHBondContact O-N 3Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T44 PolarHBondContact O-N 3.01Å; L42-T45 PolarHBondContact O-N 2.91Å; L42-T45 PolarHBondContact O-OG1 3.21Å; L42-Q46 WeakPolarHBondContact O-CB 3.44Å; L42-Q46 PolarHBondContact O-N 3.09Å
43I92.3Very high89.7Confident17 Ų17105 Ų1059%0.08751%0.509CS..Hα-helixtrans-68.9-36.7-179.7-61.3173.2000110.5P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.39Å; P32-I43 HydrophobicContact CB-CG1 4.44Å; P32-I43 HydrophobicContact CG-CD1 4.42Å; P32-I43 HydrophobicContact CG-CG1 3.96Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.79Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.49Å; N40-I43 PolarHBondContact O-N 3.13Å; I43-Q46 PolarHBondContact O-N 3.06Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.42Å; I43-Q47 WeakPolarHBondContact O-CG 3.43Å; I43-Q47 PolarHBondContact O-N 3.38Å
44T91.9Very high89.8Confident63 Ų63100 Ų10039%0.38748%0.479SS..Hα-helixtrans-67.3-42.1177.559.60000112.2N39 N40 R41 L42 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.05Å; N40-T44 PolarHBondContact O-N 3.12Å; R41-T44 WeakPolarHBondContact CA-OG1 3.27Å; R41-T44 PolarHBondContact O-OG1 3.3Å; L42-T44 PolarHBondContact O-N 3.01Å; T44-Q47 PolarHBondContact O-N 3.34Å; T44-W48 WeakPolarHBondContact O-CB 3.01Å; T44-W48 PolarHBondContact O-N 3.33Å
45T91.6Very high89.9Confident86 Ų86105.4 Ų105.453%0.52850%0.498SS..Hα-helixtrans-65.2-41.7174.8510000111.6R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.4Å; R41-T45 PolarHBondContact O-N 2.83Å; R41-T45 PolarHBondContact O-OG1 3.46Å; L42-T45 PolarHBondContact O-N 2.91Å; L42-T45 PolarHBondContact O-OG1 3.21Å; T45-W48 PolarHBondContact O-N 2.88Å; T45-L49 WeakPolarHBondContact O-CB 3.17Å; T45-L49 PolarHBondContact O-N 3.45Å
46Q91.4Very high89.9Confident39 Ų39101.4 Ų101.418%0.18248%0.483CS..Hα-helixtrans-60.4-49.1173.8-175.8-165.5-48.700111.9L42 I43 W48 L49 I50L42-Q46 WeakPolarHBondContact O-CB 3.44Å; L42-Q46 PolarHBondContact O-N 3.09Å; I43-Q46 PolarHBondContact O-N 3.06Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.14Å; Q46-L49 PolarHBondContact O-N 3.01Å; Q46-I50 HydrophobicContact CG-CD1 3.95Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 3.47Å
47Q90.8Very high89.8Confident96 Ų9693.2 Ų93.245%0.44945%0.452SS..Hα-helixtrans-61.1-38.9177.9-75.8175.6-14.300111.9N39 I43 T44 K51N39-Q47 PolarHBondContact ND2-NE2 3.13Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.42Å; I43-Q47 WeakPolarHBondContact O-CG 3.43Å; I43-Q47 PolarHBondContact O-N 3.38Å; T44-Q47 PolarHBondContact O-N 3.34Å; Q47-K51 WeakPolarHBondContact O-CB 3.19Å; Q47-K51 PolarHBondContact O-N 3.39Å
48W92.8Very high90.1Very high167 Ų16785.8 Ų85.863%0.63341%0.412SS*.Hα-helixtrans-63.1-44.2175179.383.8000111.8T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.01Å; T44-W48 PolarHBondContact O-N 3.33Å; T45-W48 PolarHBondContact O-N 2.88Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.14Å; W48-K51 PolarHBondContact O-N 3Å; W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.44Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.11Å
49L91.3Very high90Very high101 Ų10182.9 Ų82.953%0.52940%0.402SS..Hα-helixtrans-65.3-42.6178.9-145.7160000111.5T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.17Å; T45-L49 PolarHBondContact O-N 3.45Å; Q46-L49 PolarHBondContact O-N 3.01Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.1Å; L49-L52 PolarHBondContact O-N 3.36Å; L49-T53 HydrophobicContact CD2-CG2 3.96Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.17Å
50I91.8Very high89.4Confident51 Ų5188.3 Ų88.326%0.26243%0.428SS..Hα-helixtrans-61.6-42.6173.7-66.9172.1000111.1Q46 L52 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 3.95Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.34Å; Q46-I50 PolarHBondContact O-N 3.47Å; I50-L52 PolarHBondContact O-N 2.78Å; I50-T53 WeakPolarHBondContact CA-OG1 3.28Å; I50-T53 PolarHBondContact O-OG1 2.94Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.23Å; I50-S54 WeakPolarHBondContact O-CB 3.4Å; I50-S54 PolarHBondContact O-N 2.97Å; I50-S54 PolarHBondContact O-OG 3.15Å; I50-V73 HydrophobicContact CG2-CG1 3.88Å; I50-I77 HydrophobicContact CD1-CD1 3.98Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å
51K91.5Very high89Confident149 Ų14983 Ų8365%0.64840%0.399SS*.Hα-helixtrans-64.8-40.7178.6-173.6177.1-179.4178.70112.1Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.19Å; Q47-K51 PolarHBondContact O-N 3.39Å; W48-K51 PolarHBondContact O-N 3Å; L49-K51 VanDerWaalsContact C-N 3.35Å; L49-K51 PolarHBondContact O-N 3.1Å; K51-S54 PolarHBondContact O-OG 3.42Å; K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 2.76Å
52L91.6Very high88.6Confident68 Ų6878.2 Ų78.236%0.35639%0.39SS..Hα-helixtrans-67.1-50.4178.4-75.2177.9000112.2W48 L49 I50 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.39Å; W48-L52 VanDerWaalsContact CE2-CD1 3.44Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.4Å; W48-L52 VanDerWaalsContact CH2-CD1 3.4Å; W48-L52 HydrophobicContact CZ2-CD1 3.32Å; W48-L52 HydrophobicContact CZ2-CG 4.42Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.36Å; I50-L52 PolarHBondContact O-N 2.78Å; L52-K55 PolarHBondContact O-N 3.33Å; L52-Q56 WeakPolarHBondContact O-CG 3.42Å; L52-Q56 PolarHBondContact O-N 3.27Å
53T88.8Confident88.1Confident23 Ų2379.4 Ų79.414%0.14140%0.401CS..Hα-helixtrans-61.3-46.5-18049.10000111.5L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 3.96Å; L49-T53 WeakPolarHBondContact O-CG2 3.41Å; L49-T53 PolarHBondContact O-N 3.27Å; L49-T53 PolarHBondContact O-OG1 3.17Å; I50-T53 WeakPolarHBondContact CA-OG1 3.28Å; I50-T53 PolarHBondContact O-OG1 2.94Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 2.98Å; T53-Q56 PolarHBondContact O-N 3.32Å; T53-M57 PolarHBondContact O-N 3.16Å
54S89.4Confident87.5Confident29 Ų2984.3 Ų84.320%0.20342%0.422CS..Hα-helixtrans-61.3-41.7176.1630000112.4I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.23Å; I50-S54 WeakPolarHBondContact O-CB 3.4Å; I50-S54 PolarHBondContact O-N 2.97Å; I50-S54 PolarHBondContact O-OG 3.15Å; K51-S54 PolarHBondContact O-OG 3.42Å; S54-Q56 PolarHBondContact O-N 3.27Å; S54-M58 VanDerWaalsContact O-CB 3.28Å; S54-M58 WeakPolarHBondContact O-CB 3.2Å; S54-M58 WeakPolarHBondContact O-CG 3.31Å; S54-M58 PolarHBondContact O-N 3.15Å
55K89.6Confident86.9Confident151 Ų15181.3 Ų81.366%0.65740%0.404SS*.Hα-helixtrans-62.3-45.3176.8-173.2179.7178.4-174.90111.6K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 2.76Å; L52-K55 PolarHBondContact O-N 3.33Å; T53-K55 PolarHBondContact O-N 2.98Å; K55-T59 WeakPolarHBondContact O-CG2 3.34Å; K55-T59 PolarHBondContact O-N 2.97Å
56Q86.9Confident86.5Confident127 Ų12783.9 Ų83.959%0.59340%0.403SS*.Hα-helixtrans-69.1-38.5-178-74.1179.3-28.600113.1L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.42Å; L52-Q56 PolarHBondContact O-N 3.27Å; T53-Q56 PolarHBondContact O-N 3.32Å; S54-Q56 PolarHBondContact O-N 3.27Å; Q56-T59 PolarHBondContact O-OG1 3.29Å
57M85Confident86.3Confident14 Ų1487 Ų877%0.06943%0.425CS..Hα-helixtrans-74.3-37.4178.4-72.7-174.5171.700112.3T53 T59 H61 L72 I76 Y212 T215T53-M57 PolarHBondContact O-N 3.16Å; M57-T59 PolarHBondContact O-N 2.95Å; M57-H61 PolarHBondContact O-ND1 2.94Å; M57-L72 HydrophobicContact SD-CB 4.38Å; M57-I76 HydrophobicContact CE-CD1 3.72Å; M57-Y212 HydrophobicContact CE-CD2 4.43Å; M57-T215 WeakPolarHBondContact CE-OG1 3.33Å
58M85.4Confident86.1Confident19 Ų1984.7 Ų84.79%0.09441%0.413CS..Hα-helixtrans-82.5-9.7-174.2-61.9-17.5129.300114S54 M60 H61 R66 S69 L72 V73S54-M58 VanDerWaalsContact O-CB 3.28Å; S54-M58 WeakPolarHBondContact O-CB 3.2Å; S54-M58 WeakPolarHBondContact O-CG 3.31Å; S54-M58 PolarHBondContact O-N 3.15Å; M58-M60 PolarHBondContact O-N 3.2Å; M58-H61 PolarHBondContact O-N 3.1Å; M58-R66 HydrophobicContact CB-CG 4.42Å; M58-S69 WeakPolarHBondContact CE-OG 3.39Å; M58-L72 HydrophobicContact CE-CB 4.49Å; M58-L72 HydrophobicContact CE-CD1 4.46Å; M58-V73 HydrophobicContact CE-CG2 4.1Å
59T85.5Confident85.9Confident97 Ų9778.3 Ų78.360%0.59539%0.393SS*.THydrogen-bonded Turntrans-63.3-31.8173.250.70000112.1K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.34Å; K55-T59 PolarHBondContact O-N 2.97Å; Q56-T59 PolarHBondContact O-OG1 3.29Å; M57-T59 PolarHBondContact O-N 2.95Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.37Å
60M78.1Confident85.9Confident137 Ų13780 Ų8068%0.67540%0.402SS*.THydrogen-bonded Turntrans-81.1-10-178.9-52.3-125.983.900112.9M58 H223M58-M60 PolarHBondContact O-N 3.2Å; M60-H223 PolarHBondContact O-CE1 3.38Å; M60-H223 PolarHBondContact O-ND1 3.46Å
61H83.4Confident85.9Confident5 Ų580.1 Ų80.12%0.02341%0.405CS..  trans-110.4139-168.4-70.680.1000113.9M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 2.94Å; M58-H61 PolarHBondContact O-N 3.1Å; T59-H61 VanDerWaalsContact C-N 3.31Å; T59-H61 PolarHBondContact O-N 3.37Å; H61-R66 HydrophobicContact CB-CG 4.43Å; H61-R66 PolarHBondContact O-NE 3.29Å; H61-S219 PolarHBondContact CE1-O 3.22Å; H61-S219 PolarHBondContact NE2-O 3.09Å
62N80.7Confident85.8Confident111 Ų11173.1 Ų73.159%0.59438%0.375SS*.  trans-70.5171168.5-83.8-19.1000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.34Å; N62-G65 PolarHBondContact O-N 3.38Å; N62-R66 PolarHBondContact O-N 3.48Å
63T80.6Confident85.8Confident118 Ų11870.6 Ų70.672%0.72436%0.362SS*.THydrogen-bonded Turntrans-53.5-38.9-175.753.30000114R66T63-R66 PolarHBondContact O-N 3.12Å
64K79.6Confident85.9Confident120 Ų12072.6 Ų72.652%0.52238%0.377SS..THydrogen-bonded Turntrans-67-44174.9-69.4-177.3-177.9175.70112.2N62 R66 T67 M115N62-K64 VanDerWaalsContact C-N 3.28Å; N62-K64 PolarHBondContact O-N 3.34Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.32Å; K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 3.06Å; K64-T67 PolarHBondContact O-OG1 3.44Å; K64-M115 HydrophobicContact CB-CE 4.37Å
65G79.1Confident86Confident0 Ų072 Ų720%037%0.372CS..G310 helixtrans-64.1-31.9177.300000112.9N62 T67 W68N62-G65 PolarHBondContact O-N 3.38Å; G65-T67 PolarHBondContact O-N 3.47Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 WeakPolarHBondContact O-CB 3.35Å; G65-W68 PolarHBondContact O-N 2.92Å
66R83.9Confident86.1Confident139 Ų13965.6 Ų65.653%0.52534%0.344SS..G310 helixtrans-62.6-20.3176.4-71-179.9-174.3-177.21.1114.1M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.42Å; H61-R66 HydrophobicContact CB-CG 4.43Å; H61-R66 PolarHBondContact O-NE 3.29Å; N62-R66 PolarHBondContact O-N 3.48Å; T63-R66 PolarHBondContact O-N 3.12Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.32Å; R66-W68 PolarHBondContact O-N 3.31Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 2.89Å; R66-S69 VanDerWaalsContact O-N 3.08Å
67T86.4Confident86.4Confident104 Ų10461.5 Ų61.564%0.63833%0.326SS*.G310 helixtrans-62.5-27.317462.30000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.37Å; K64-T67 PolarHBondContact O-N 3.06Å; K64-T67 PolarHBondContact O-OG1 3.44Å; G65-T67 PolarHBondContact O-N 3.47Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.64Å
68W87.1Confident86.6Confident49 Ų4963 Ų6319%0.18633%0.333CS..G310 helixtrans-83.8-0.5176.7-76.666.5000113.8G65 R66 L70 T71 L72 L108 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.35Å; G65-W68 PolarHBondContact O-N 2.92Å; R66-W68 PolarHBondContact O-N 3.31Å; W68-L70 PolarHBondContact O-N 3Å; W68-L70 VanDerWaalsContact O-N 3.16Å; W68-T71 VanDerWaalsContact CE3-OG1 3.3Å; W68-T71 PolarHBondContact O-N 3.18Å; W68-T71 PolarHBondContact O-OG1 2.96Å; W68-L72 PolarHBondContact O-N 3.22Å; W68-L108 HydrophobicContact CZ3-CD2 4.36Å; W68-M115 HydrophobicContact CZ2-SD 4.31Å; W68-M115 PolarHBondContact NE1-SD 3.41Å; W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.99Å; W68-L222 HydrophobicContact CD2-CD2 4.27Å; W68-L222 HydrophobicContact CG-CD1 4.01Å; W68-L222 HydrophobicContact CG-CD2 3.66Å
69S87.9Confident86.9Confident32 Ų3262.1 Ų62.122%0.22433%0.328CS..Hα-helixtrans-50.6-44.6-178.6173.70000112.4M58 R66 T67 T71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.39Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 2.89Å; R66-S69 VanDerWaalsContact O-N 3.08Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.64Å; S69-T71 VanDerWaalsContact C-N 3.34Å; S69-T71 PolarHBondContact O-N 3.49Å; S69-L72 PolarHBondContact O-N 3.34Å; S69-V73 WeakPolarHBondContact O-CB 3.47Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.02Å
70L91.1Very high87.2Confident138 Ų13858.9 Ų58.972%0.72331%0.311SS*.Hα-helixtrans-61.5-41.8178.9-175.268000112.3W68 S74W68-L70 PolarHBondContact O-N 3Å; W68-L70 VanDerWaalsContact O-N 3.16Å; L70-S74 WeakPolarHBondContact O-CB 3.22Å; L70-S74 PolarHBondContact O-N 3.39Å; L70-S74 PolarHBondContact O-OG 3.17Å
71T91.4Very high87.8Confident53 Ų5353.9 Ų53.933%0.32529%0.288SS..Hα-helixtrans-67.1-42.9-18065.10000111.5W68 S69 S74 L75W68-T71 VanDerWaalsContact CE3-OG1 3.3Å; W68-T71 PolarHBondContact O-N 3.18Å; W68-T71 PolarHBondContact O-OG1 2.96Å; S69-T71 VanDerWaalsContact C-N 3.34Å; S69-T71 PolarHBondContact O-N 3.49Å; T71-S74 WeakPolarHBondContact CA-OG 3.33Å; T71-S74 PolarHBondContact O-OG 3.5Å; T71-L75 WeakPolarHBondContact O-CB 3.33Å; T71-L75 PolarHBondContact O-N 3Å
72L90.6Very high88.2Confident2 Ų253.8 Ų53.81%0.0129%0.288CS..Hα-helixtrans-67.2-42.1178.9-67.6172.1000112M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.38Å; M58-L72 HydrophobicContact CE-CB 4.49Å; M58-L72 HydrophobicContact CE-CD1 4.46Å; W68-L72 PolarHBondContact O-N 3.22Å; S69-L72 PolarHBondContact O-N 3.34Å; L72-L75 PolarHBondContact O-N 3.4Å; L72-I76 PolarHBondContact O-N 3.41Å; L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.85Å
73V91.7Very high88.7Confident14 Ų1448.6 Ų48.69%0.08526%0.26CS..Hα-helixtrans-69.1-41.9179.2172.20000111.4I50 M58 S69 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.88Å; M58-V73 HydrophobicContact CE-CG2 4.1Å; S69-V73 WeakPolarHBondContact O-CB 3.47Å; S69-V73 VanDerWaalsContact O-CG2 3.25Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.02Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 3.14Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.29Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.5Å; V73-I77 WeakPolarHBondContact O-CG1 3.47Å; V73-I77 PolarHBondContact O-N 2.99Å
74S91.5Very high89.1Confident65 Ų6547.6 Ų47.646%0.45525%0.25SC..Hα-helixtrans-65.1-38.9175.653.10000111.8L70 T71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.22Å; L70-S74 PolarHBondContact O-N 3.39Å; L70-S74 PolarHBondContact O-OG 3.17Å; T71-S74 WeakPolarHBondContact CA-OG 3.33Å; T71-S74 PolarHBondContact O-OG 3.5Å; S74-I77 PolarHBondContact O-N 3.07Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.43Å
75L91.2Very high89.6Confident17 Ų1744 Ų449%0.08924%0.236CC..Hα-helixtrans-62.1-49177.4-176.673.9000112.8T71 L72 V73 I77 F78 I79 L108 F214 T215T71-L75 WeakPolarHBondContact O-CB 3.33Å; T71-L75 PolarHBondContact O-N 3Å; L72-L75 PolarHBondContact O-N 3.4Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 3.14Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.9Å; L75-F78 PolarHBondContact O-N 2.8Å; L75-I79 HydrophobicContact CD1-CD1 3.87Å; L75-I79 HydrophobicContact CD1-CG1 4.45Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.03Å; L75-I79 PolarHBondContact O-N 3.18Å; L75-L108 HydrophobicContact CD1-CD1 3.52Å; L75-L108 HydrophobicContact CD2-CD1 3.67Å; L75-L108 HydrophobicContact CG-CD1 4.21Å; L75-F214 HydrophobicContact CD1-CE1 4.02Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CG-CE1 4.17Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.7Å
76I91.7Very high89.9Confident16 Ų1644 Ų448%0.08224%0.237CC..Hα-helixtrans-63.2-41.2-179.1-169.9169.8000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 3.72Å; L72-I76 PolarHBondContact O-N 3.41Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.29Å; I76-A80 WeakPolarHBondContact O-CB 3.4Å; I76-A80 PolarHBondContact O-N 3.35Å; I76-A211 HydrophobicContact CG1-CB 4.48Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.16Å
77I91.6Very high90.1Very high41 Ų4139.3 Ų39.321%0.2122%0.222CC..Hα-helixtrans-66.6-42.2178.8-63.2165.1000110.3I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.36Å; I31-I77 HydrophobicContact CG1-CG2 4.43Å; I50-I77 HydrophobicContact CD1-CD1 3.98Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å; V73-I77 HydrophobicContact CG1-CD1 3.81Å; V73-I77 VanDerWaalsContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CD1 3.5Å; V73-I77 WeakPolarHBondContact O-CG1 3.47Å; V73-I77 PolarHBondContact O-N 2.99Å; S74-I77 PolarHBondContact O-N 3.07Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.9Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3.5Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.21Å; I77-T81 PolarHBondContact O-N 3.08Å; I77-T81 PolarHBondContact O-OG1 2.95Å
78F91.2Very high90.1Very high47 Ų4738.8 Ų38.821%0.20622%0.215CC..Hα-helixtrans-62.9-48.8178.7179.7-102.6000112.3I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.36Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.32Å; S74-F78 PolarHBondContact O-N 3.43Å; L75-F78 PolarHBondContact O-N 2.8Å; F78-T81 PolarHBondContact O-OG1 3.23Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.39Å; F78-T82 WeakPolarHBondContact O-CG2 3.42Å; F78-T82 PolarHBondContact O-N 2.92Å; F78-T82 PolarHBondContact O-OG1 2.96Å; F78-M100 HydrophobicContact CE1-CE 3.93Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; F78-M104 HydrophobicContact CD1-SD 3.86Å; F78-M104 HydrophobicContact CE1-CE 4.1Å; F78-M104 HydrophobicContact CE1-SD 3.55Å; F78-M104 VanDerWaalsContact CE1-SD 3.55Å
79I91.3Very high89.9Confident0 Ų041.7 Ų41.70%024%0.24CC..Hα-helixtrans-68.3-42-179.5-60169.3000110.5L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 3.87Å; L75-I79 HydrophobicContact CD1-CG1 4.45Å; L75-I79 HydrophobicContact CG-CD1 3.88Å; L75-I79 WeakPolarHBondContact O-CG1 3.03Å; L75-I79 PolarHBondContact O-N 3.18Å; I79-T81 PolarHBondContact O-N 3.35Å; I79-T82 WeakPolarHBondContact CA-OG1 3.43Å; I79-T82 PolarHBondContact O-OG1 3.03Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.06Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.23Å; I79-N83 PolarHBondContact O-ND2 3.1Å; I79-N83 PolarHBondContact O-OD1 3.36Å; I79-L160 HydrophobicContact CG2-CD1 4.09Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.2Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.31Å; I79-F214 HydrophobicContact CD1-CE1 3.7Å; I79-F214 HydrophobicContact CD1-CG 3.69Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å
80A90.8Very high89.6Confident28 Ų2849.8 Ų49.823%0.23127%0.274CS..Hα-helixtrans-63.1-44.5178.700000111.9I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.4Å; I76-A80 PolarHBondContact O-N 3.35Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 2.93Å; A80-A211 HydrophobicContact CB-CB 3.92Å
81T91.1Very high89.3Confident32 Ų3244.7 Ų44.720%0.19625%0.249CC..Hα-helixtrans-68.9-43.9-18051.80000112.2P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.23Å; I77-T81 HydrophobicContact CG2-CG2 4.25Å; I77-T81 WeakPolarHBondContact O-CB 3.5Å; I77-T81 VanDerWaalsContact O-CG2 3.25Å; I77-T81 WeakPolarHBondContact O-CG2 3.21Å; I77-T81 PolarHBondContact O-N 3.08Å; I77-T81 PolarHBondContact O-OG1 2.95Å; F78-T81 PolarHBondContact O-OG1 3.23Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; I79-T81 PolarHBondContact O-N 3.35Å; T81-N83 PolarHBondContact O-N 3.3Å; T81-L84 PolarHBondContact O-N 2.81Å; T81-L85 WeakPolarHBondContact O-CB 3.27Å; T81-L85 PolarHBondContact O-N 3.35Å
82T90.9Very high88.9Confident4 Ų443.4 Ų43.43%0.02524%0.239CC..Hα-helixtrans-61.8-43176.647.50000112.6P27 F78 I79 G86 P94P27-T82 HydrophobicContact CB-CG2 4.17Å; P27-T82 HydrophobicContact CG-CG2 3.42Å; P27-T82 VanDerWaalsContact CG-CG2 3.42Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.93Å; F78-T82 HydrophobicContact CZ-CG2 3.86Å; F78-T82 WeakPolarHBondContact O-CB 3.39Å; F78-T82 WeakPolarHBondContact O-CG2 3.42Å; F78-T82 PolarHBondContact O-N 2.92Å; F78-T82 PolarHBondContact O-OG1 2.96Å; I79-T82 WeakPolarHBondContact CA-OG1 3.43Å; I79-T82 PolarHBondContact O-OG1 3.03Å; T82-G86 PolarHBondContact O-N 3.17Å; T82-P94 HydrophobicContact CG2-CG 4.49Å
83N91.1Very high88.6Confident2 Ų243.5 Ų43.51%0.01124%0.24CC..Hα-helixtrans-67.7-43.4178.6-67-11.5000111.9I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.06Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 3.23Å; I79-N83 PolarHBondContact O-ND2 3.1Å; I79-N83 PolarHBondContact O-OD1 3.36Å; T81-N83 PolarHBondContact O-N 3.3Å; N83-G86 WeakPolarHBondContact O-CA 3.26Å; N83-G86 PolarHBondContact O-N 3.33Å; N83-G86 VanDerWaalsContact O-N 3.14Å; N83-L87 PolarHBondContact O-N 3.47Å; N83-T95 WeakPolarHBondContact OD1-CB 3.37Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.16Å; N83-T95 PolarHBondContact OD1-OG1 2.79Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.2Å; N83-I164 HydrophobicContact CB-CD1 4.28Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.22Å; N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.35Å
84L89.9Confident88.2Confident97 Ų9743.2 Ų43.251%0.50824%0.239SC..Hα-helixtrans-66.1-43.4179.8-165.183.8000111.4A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.36Å; A80-L84 PolarHBondContact O-N 2.93Å; T81-L84 PolarHBondContact O-N 2.81Å; L84-G86 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L84-I204 HydrophobicContact CD1-CG2 4.16Å
85L89.9Confident87.9Confident43 Ų4340.2 Ų40.223%0.22522%0.217CC..Hα-helixtrans-59.1-33.9174.1-135.186.5000111.5F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.4Å; F26-L85 HydrophobicContact CE1-CD1 4.34Å; F26-L85 HydrophobicContact CE1-CD2 3.75Å; F26-L85 HydrophobicContact CG-CD2 4.47Å; L30-L85 HydrophobicContact CD1-CD1 3.28Å; T81-L85 WeakPolarHBondContact O-CB 3.27Å; T81-L85 PolarHBondContact O-N 3.35Å; L85-L87 PolarHBondContact O-N 3.32Å; L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.39Å; L85-L88 PolarHBondContact O-N 3.09Å; L85-S91 PolarHBondContact O-OG 3.3Å; L85-S91 VanDerWaalsContact O-OG 3.05Å
86G85.9Confident87.7Confident2 Ų239.8 Ų39.82%0.02122%0.216CC..THydrogen-bonded Turntrans-62.8-23.1178.200000117T82 N83 L84 S91 H168T82-G86 PolarHBondContact O-N 3.17Å; N83-G86 WeakPolarHBondContact O-CA 3.26Å; N83-G86 PolarHBondContact O-N 3.33Å; N83-G86 VanDerWaalsContact O-N 3.14Å; L84-G86 PolarHBondContact O-N 2.95Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.43Å; G86-S91 PolarHBondContact O-OG 3.39Å; G86-H168 PolarHBondContact O-CE1 3.05Å; G86-H168 PolarHBondContact O-NE2 3Å
87L87Confident87.5Confident39 Ų3942.2 Ų42.220%0.20423%0.227CC..THydrogen-bonded Turntrans-83-5.6178-62175000112.1N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.47Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L85-L87 PolarHBondContact O-N 3.32Å; L87-M171 HydrophobicContact CD2-CE 4Å; L87-E203 HydrophobicContact CD1-CG 4.43Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.43Å; L87-E203 VanDerWaalsContact CD2-CG 3.43Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; L87-A207 HydrophobicContact CD1-CB 4.08Å
88L87.7Confident87.3Confident94 Ų9443.5 Ų43.549%0.49223%0.233SC..SBendtrans-67143.9174.5-64.9174.4000110.6L85 H90 S91L85-L88 HydrophobicContact CG-CD1 4.12Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.42Å; L85-L88 VanDerWaalsContact O-CG 3.3Å; L85-L88 WeakPolarHBondContact O-CG 3.39Å; L85-L88 PolarHBondContact O-N 3.09Å; L88-H90 PolarHBondContact O-N 3.09Å; L88-S91 WeakPolarHBondContact O-CB 3.35Å; L88-S91 PolarHBondContact O-N 3.29Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 2.98Å
89P82.5Confident87.2Confident110 Ų11045.3 Ų45.371%0.71425%0.252SS*.THydrogen-bonded Turntrans-58.5134.818024.6-33.8000110.7S91P89-S91 PolarHBondContact O-N 3.41Å; P89-S91 VanDerWaalsContact O-N 3.11Å
90H82.6Confident87Confident202 Ų20247.1 Ų47.194%0.93526%0.261SS*.THydrogen-bonded Turntrans57.617-178.6-55.8-65.5000115.9L88L88-H90 PolarHBondContact O-N 3.09Å
91S84.4Confident86.9Confident30 Ų3045.8 Ų45.821%0.2125%0.25CC..  trans-80.3138.4172.368.80000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 3.3Å; L85-S91 VanDerWaalsContact O-OG 3.05Å; G86-S91 VanDerWaalsContact C-OG 3.27Å; G86-S91 WeakPolarHBondContact CA-OG 3.43Å; G86-S91 PolarHBondContact O-OG 3.39Å; L88-S91 WeakPolarHBondContact O-CB 3.35Å; L88-S91 PolarHBondContact O-N 3.29Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 2.98Å; P89-S91 PolarHBondContact O-N 3.41Å; P89-S91 VanDerWaalsContact O-N 3.11Å
92F83Confident86.7Confident27 Ų2746.4 Ų46.412%0.11825%0.252CS..  trans-85.5124.9170.1172.5-95.4000109.4S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.35Å; A11-F92 HydrophobicContact CB-CZ 4.48Å; P12-F92 HydrophobicContact CG-CB 4.38Å; P12-F92 HydrophobicContact CG-CD1 4.14Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.08Å; A20-F92 HydrophobicContact CB-CE1 4.32Å; I23-F92 HydrophobicContact CD1-CB 4Å; I23-F92 HydrophobicContact CD1-CD1 3.91Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; F92-P94 HydrophobicContact CE1-CB 4.45Å; F92-P94 WeakPolarHBondContact O-CD 3.48Å; F92-Q97 HydrophobicContact CZ-CG 4.18Å
93T84.2Confident86.6Confident3 Ų349.2 Ų49.22%0.01828%0.276CS..  trans-94.9111.6178.7290000111.1T95 T96 I164T93-T95 PolarHBondContact O-N 2.78Å; T93-T96 PolarHBondContact O-N 3.31Å; T93-T96 PolarHBondContact O-OG1 3.21Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.1Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å
94P82.9Confident86.4Confident9 Ų950.5 Ų50.56%0.05828%0.282CS..G310 helixtrans-64.3-24.1176.926.3-33.6000112.6I24 T82 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.27Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.07Å; T82-P94 HydrophobicContact CG2-CG 4.49Å; F92-P94 HydrophobicContact CE1-CB 4.45Å; F92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 2.7Å; P94-Q97 PolarHBondContact O-N 3.37Å; P94-M100 HydrophobicContact CB-CG 4.45Å; P94-M100 WeakPolarHBondContact O-CB 3.09Å
95T85.3Confident86.3Confident1 Ų146 Ų461%0.00626%0.259CS..G310 helixtrans-75.9-7.3179.551.30000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.37Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.16Å; N83-T95 PolarHBondContact OD1-OG1 2.79Å; T93-T95 PolarHBondContact O-N 2.78Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 2.96Å; T95-N101 PolarHBondContact O-OD1 2.97Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.25Å
96T85.9Confident86.2Confident9 Ų948 Ų486%0.05527%0.268CS..G310 helixtrans-74.9-26.3169.756.80000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.85Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; T93-T96 PolarHBondContact O-N 3.31Å; T93-T96 PolarHBondContact O-OG1 3.21Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.1Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 2.7Å; T96-L98 PolarHBondContact O-N 3Å; T96-T161 WeakPolarHBondContact O-CG2 3.39Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å
97Q89.1Confident86.4Confident67 Ų6751.7 Ų51.731%0.31329%0.292SS..SBendtrans-78.6120.4178.5-65.7-62.9-31.800109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.2Å; F92-Q97 HydrophobicContact CZ-CG 4.18Å; P94-Q97 PolarHBondContact O-N 3.37Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.5Å; Q97-M100 PolarHBondContact O-N 3.36Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; Q97-N101 PolarHBondContact O-N 2.94Å
98L86.9Confident86.5Confident67 Ų6751.4 Ų51.435%0.35129%0.291SS..Hα-helixtrans-57.8-34178.8-177.164000112.1T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.05Å; L98-N101 PolarHBondContact O-N 3.4Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.08Å; L98-M154 HydrophobicContact CD2-CE 4.36Å; L98-A157 HydrophobicContact CD1-CB 4.32Å; L98-V158 HydrophobicContact CD1-CG2 3.89Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S88Confident86.4Confident85 Ų8548.7 Ų48.759%0.59427%0.274SS*.Hα-helixtrans-56.5-43.3176.755.70000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.5Å; S99-A103 WeakPolarHBondContact O-CB 3.45Å; S99-A103 PolarHBondContact O-N 3.45Å
100M87.8Confident86.6Confident39 Ų3944.8 Ų44.819%0.19225%0.251CS..Hα-helixtrans-68.7-45.4-178.4-17653.8-176.700111.4I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.45Å; I24-M100 HydrophobicContact CG2-CE 4.12Å; F78-M100 HydrophobicContact CE1-CE 3.93Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; P94-M100 HydrophobicContact CB-CG 4.45Å; P94-M100 WeakPolarHBondContact O-CB 3.09Å; Q97-M100 PolarHBondContact O-N 3.36Å; Q97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 3.05Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 2.67Å; M100-A103 PolarHBondContact O-N 3.14Å; M100-M104 HydrophobicContact CE-CE 3.69Å; M100-M104 HydrophobicContact CE-SD 4.23Å; M100-M104 HydrophobicContact CG-CE 3.65Å; M100-M104 WeakPolarHBondContact O-CE 3.31Å; M100-M104 PolarHBondContact O-N 3.23Å; M100-M104 VanDerWaalsContact O-N 3.12Å; M100-M104 HydrophobicContact SD-CE 4.11Å
101N88.6Confident86.8Confident0 Ų036.1 Ų36.10%022%0.217CC..Hα-helixtrans-67.7-37.9179.8-66.2-8.1000111.8T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 2.96Å; T95-N101 PolarHBondContact O-OD1 2.97Å; Q97-N101 PolarHBondContact O-N 2.94Å; L98-N101 PolarHBondContact O-N 3.4Å; N101-M104 PolarHBondContact O-N 3.28Å; N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 3.12Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.16Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.28Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.46Å; N101-L160 VanDerWaalsContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact ND2-CG 3.08Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.36Å; N101-T161 HydrophobicContact CB-CG2 4.32Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.46Å; N101-T161 PolarHBondContact ND2-N 3.26Å
102L86.6Confident86.8Confident44 Ų4434.8 Ų34.823%0.2321%0.208CC..Hα-helixtrans-69.9-38.5177.7-161.167.2000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 3.08Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 2.67Å; L102-M104 PolarHBondContact O-N 3.37Å; L102-A105 PolarHBondContact O-N 3.48Å; L102-I106 HydrophobicContact CD1-CD1 3.87Å; L102-I106 HydrophobicContact CD1-CG1 3.98Å; L102-I106 HydrophobicContact CD2-CD1 4.01Å; L102-I106 HydrophobicContact CG-CD1 3.54Å; L102-I106 HydrophobicContact CG-CG1 4.01Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 2.87Å; L102-M154 HydrophobicContact CD1-SD 3.4Å; L102-M154 WeakPolarHBondContact CD1-SD 3.42Å; L102-M154 HydrophobicContact CD2-SD 4.19Å; L102-M154 HydrophobicContact CG-SD 4.45Å; L102-A157 HydrophobicContact CB-CB 4.41Å; L102-A157 HydrophobicContact CD1-CB 3.97Å
103A89.3Confident86.8Confident64 Ų6434.2 Ų34.253%0.52921%0.206SC..Hα-helixtrans-62.8-28.2173.300000113S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.45Å; S99-A103 PolarHBondContact O-N 3.45Å; M100-A103 PolarHBondContact O-N 3.14Å; A103-P107 WeakPolarHBondContact O-CD 3.49Å; A103-P107 WeakPolarHBondContact O-CG 3.31Å
104M86.6Confident86.9Confident28 Ų2839.3 Ų39.314%0.13823%0.232CC..Hα-helixtrans-81.6-44.3171.4-74.4-176.7-87.800112.7F78 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.86Å; F78-M104 HydrophobicContact CE1-CE 4.1Å; F78-M104 HydrophobicContact CE1-SD 3.55Å; F78-M104 VanDerWaalsContact CE1-SD 3.55Å; M100-M104 HydrophobicContact CE-CE 3.69Å; M100-M104 HydrophobicContact CE-SD 4.23Å; M100-M104 HydrophobicContact CG-CE 3.65Å; M100-M104 WeakPolarHBondContact O-CE 3.31Å; M100-M104 PolarHBondContact O-N 3.23Å; M100-M104 VanDerWaalsContact O-N 3.12Å; M100-M104 HydrophobicContact SD-CE 4.11Å; N101-M104 PolarHBondContact O-N 3.28Å; L102-M104 PolarHBondContact O-N 3.37Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 WeakPolarHBondContact O-CG 3.47Å
105A87.3Confident86.8Confident3 Ų340.3 Ų40.33%0.02524%0.236CC..Hα-helixtrans-70-45.4-172.700000113.2N101 L102 W109 A157 F214N101-A105 WeakPolarHBondContact O-CB 3.31Å; N101-A105 PolarHBondContact O-N 3.12Å; L102-A105 PolarHBondContact O-N 3.48Å; A105-W109 VanDerWaalsContact O-CB 3.29Å; A105-W109 WeakPolarHBondContact O-CB 3.17Å; A105-W109 PolarHBondContact O-N 2.84Å; A105-A157 HydrophobicContact CB-CB 4.27Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.12Å
106I88.7Confident86.5Confident84 Ų8440.3 Ų40.343%0.43124%0.236SC..Hα-helixtrans-62.4-49.5-175-65.8176.4000111.9L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.87Å; L102-I106 HydrophobicContact CD1-CG1 3.98Å; L102-I106 HydrophobicContact CD2-CD1 4.01Å; L102-I106 HydrophobicContact CG-CD1 3.54Å; L102-I106 HydrophobicContact CG-CG1 4.01Å; L102-I106 WeakPolarHBondContact O-CG1 3.37Å; L102-I106 PolarHBondContact O-N 2.87Å; I106-L108 PolarHBondContact O-N 3.42Å; I106-W109 PolarHBondContact O-N 3Å; I106-A110 WeakPolarHBondContact O-CB 3.29Å; I106-A110 PolarHBondContact O-N 3.36Å
107P89.9Confident86.2Confident81 Ų8143.6 Ų43.653%0.52625%0.25SS..Hα-helixtrans-65.9-38-178.3-24.136.7000113.4A103 G111A103-P107 WeakPolarHBondContact O-CD 3.49Å; A103-P107 WeakPolarHBondContact O-CG 3.31Å; P107-G111 PolarHBondContact O-N 3.34Å
108L88.6Confident85.6Confident32 Ų3250.5 Ų50.517%0.16827%0.273CS..Hα-helixtrans-65.6-45.8177.9-73.7168.9000111.5W68 L75 M104 I106 G111 A112 F214 V218W68-L108 HydrophobicContact CZ3-CD2 4.36Å; L75-L108 HydrophobicContact CD1-CD1 3.52Å; L75-L108 HydrophobicContact CD2-CD1 3.67Å; L75-L108 HydrophobicContact CG-CD1 4.21Å; M104-L108 WeakPolarHBondContact O-CD1 3.4Å; M104-L108 WeakPolarHBondContact O-CG 3.47Å; I106-L108 PolarHBondContact O-N 3.42Å; L108-G111 PolarHBondContact O-N 3.32Å; L108-A112 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.23Å; L108-V218 HydrophobicContact CB-CG1 4.35Å
109W87.1Confident84.9Confident37 Ų3749.4 Ų49.414%0.1427%0.271CS..Hα-helixtrans-63.6-47.9175.6172.189.5000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.29Å; A105-W109 WeakPolarHBondContact O-CB 3.17Å; A105-W109 PolarHBondContact O-N 2.84Å; I106-W109 PolarHBondContact O-N 3Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.27Å; W109-A112 PolarHBondContact O-N 3.39Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.42Å; W109-V113 HydrophobicContact CZ2-CG2 3.93Å; W109-V113 WeakPolarHBondContact O-CG2 3.22Å; W109-V113 PolarHBondContact O-N 3.24Å; W109-L149 HydrophobicContact CH2-CD2 4.1Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.88Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.45Å; W109-L149 PolarHBondContact NE1-O 2.87Å; W109-L150 HydrophobicContact CH2-CD2 3.75Å; W109-L150 HydrophobicContact CZ2-CD2 4.29Å; W109-P153 HydrophobicContact CB-CB 3.92Å; W109-P153 HydrophobicContact CB-CG 4.4Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.82Å; W109-P153 HydrophobicContact CE3-CG 4.33Å; W109-P153 HydrophobicContact CG-CB 3.86Å; W109-P153 HydrophobicContact CG-CG 3.83Å
110A86.3Confident84.1Confident28 Ų2849.6 Ų49.623%0.23126%0.262CS..Hα-helixtrans-60.4-41179.200000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.29Å; I106-A110 PolarHBondContact O-N 3.36Å; A110-V113 PolarHBondContact O-N 3.43Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.45Å; A110-I114 WeakPolarHBondContact O-CD1 3.33Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 3.19Å
111G85.9Confident83.2Confident21 Ų2153 Ų5322%0.21628%0.279CS..Hα-helixtrans-60.9-43175.100000113.3P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.34Å; L108-G111 PolarHBondContact O-N 3.32Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 3.27Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.38Å; G111-M115 PolarHBondContact O-N 3.47Å
112A84.2Confident82.2Confident2 Ų262 Ų622%0.01732%0.318CS..Hα-helixtrans-63.9-45.6176.200000111.9L108 W109 M115 G116L108-A112 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.39Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.39Å; A112-G116 PolarHBondContact O-N 3.07Å
113V83.8Confident81.4Confident14 Ų1464.5 Ų64.59%0.08533%0.332CS..Hα-helixtrans-64.7-46.6178.8172.50000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.1Å; W109-V113 HydrophobicContact CH2-CG2 4.42Å; W109-V113 HydrophobicContact CZ2-CG2 3.93Å; W109-V113 WeakPolarHBondContact O-CG2 3.22Å; W109-V113 PolarHBondContact O-N 3.24Å; A110-V113 PolarHBondContact O-N 3.43Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.16Å; V113-G116 PolarHBondContact O-N 3.49Å; V113-G116 VanDerWaalsContact O-N 3.11Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.28Å; V113-F117 PolarHBondContact O-N 3.5Å
114I84.9Confident80.3Confident110 Ų11062.2 Ų62.256%0.56431%0.313SS*.Hα-helixtrans-61-39.1177.1-68.5163.8000110.7A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.45Å; A110-I114 WeakPolarHBondContact O-CD1 3.33Å; A110-I114 WeakPolarHBondContact O-CG1 3.46Å; A110-I114 PolarHBondContact O-N 3.19Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 2.84Å; I114-R118 WeakPolarHBondContact O-CB 2.97Å; I114-R118 PolarHBondContact O-N 2.69Å
115M82.4Confident79.2Confident30 Ų3065.4 Ų65.415%0.14833%0.33CS..Hα-helixtrans-65.3-37.7175.8-175.6166.9177.200112.3K64 W68 G111 A112 V113 R118 S119 L222 T226K64-M115 HydrophobicContact CB-CE 4.37Å; W68-M115 HydrophobicContact CZ2-SD 4.31Å; W68-M115 PolarHBondContact NE1-SD 3.41Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.38Å; G111-M115 PolarHBondContact O-N 3.47Å; A112-M115 PolarHBondContact O-N 3.39Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.16Å; M115-R118 PolarHBondContact O-N 3.13Å; M115-S119 WeakPolarHBondContact O-CB 3.42Å; M115-S119 PolarHBondContact O-N 3.27Å; M115-S119 PolarHBondContact O-OG 2.92Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; M115-L222 HydrophobicContact SD-CD1 4.18Å; M115-T226 HydrophobicContact CE-CG2 4.16Å
116G77.9Confident78.1Confident1 Ų167.8 Ų67.81%0.0135%0.35CS..Hα-helixtrans-62.3-51.1173.600000112.7A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.07Å; V113-G116 PolarHBondContact O-N 3.49Å; V113-G116 VanDerWaalsContact O-N 3.11Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.84Å; G116-S119 PolarHBondContact O-N 2.9Å; G116-S119 PolarHBondContact O-OG 3.49Å; G116-K120 PolarHBondContact O-N 2.96Å; G116-N225 WeakPolarHBondContact CA-O 3.4Å
117F79.4Confident77Confident79 Ų7969.1 Ų69.135%0.34635%0.354SS..Hα-helixtrans-58.7-41.8175.1-77.3-64.5000112V113 I114 S119 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.37Å; V113-F117 VanDerWaalsContact O-CD2 3.23Å; V113-F117 WeakPolarHBondContact O-CD2 3.28Å; V113-F117 PolarHBondContact O-N 3.5Å; I114-F117 PolarHBondContact O-N 2.84Å; F117-S119 PolarHBondContact O-N 3.3Å; F117-I121 WeakPolarHBondContact O-CG1 3.31Å; F117-A124 HydrophobicContact CD1-CB 4.26Å; F117-A124 HydrophobicContact CE1-CB 4.37Å; F117-L125 HydrophobicContact CD1-CD1 4.12Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å; F117-F128 HydrophobicContact CZ-CE2 4.4Å
118R77.9Confident75.8Confident211 Ų21167 Ų6780%0.79634%0.337SS*.Hα-helixtrans-70-33.6-179.4-164.7176.570.5-175.81113.2I114 M115 G116I114-R118 WeakPolarHBondContact O-CB 2.97Å; I114-R118 PolarHBondContact O-N 2.69Å; M115-R118 PolarHBondContact O-N 3.13Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 2.84Å
119S71.3Confident74.7Confident44 Ų4468.6 Ų68.631%0.30835%0.345SS..Hα-helixtrans-88.8-39.8-173.672.70000113.6M115 G116 F117M115-S119 WeakPolarHBondContact O-CB 3.42Å; M115-S119 PolarHBondContact O-N 3.27Å; M115-S119 PolarHBondContact O-OG 2.92Å; M115-S119 VanDerWaalsContact O-OG 3.1Å; G116-S119 PolarHBondContact O-N 2.9Å; G116-S119 PolarHBondContact O-OG 3.49Å; F117-S119 PolarHBondContact O-N 3.3Å
120K72.6Confident73.5Confident90 Ų9070.1 Ų70.139%0.39136%0.36SS..  trans-146.571.9-176.1-67.2175.4-179.2160.20111.2G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 2.96Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.02Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 3.3Å; K120-N123 VanDerWaalsContact O-N 3.12Å; K120-A124 WeakPolarHBondContact O-CB 3.36Å; K120-A124 PolarHBondContact O-N 3.38Å; K120-T226 WeakPolarHBondContact CE-O 3.36Å; K120-T226 PolarHBondContact NZ-O 3.42Å; K120-T226 PolarHBondContact NZ-OXT 3.2Å
121I68Low72.5Confident109 Ų10978.5 Ų78.556%0.55939%0.394SS*.Hα-helixtrans-47.6-49.4177.6-59.9170.7000111.7F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.31Å; I121-N123 PolarHBondContact O-N 3.21Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 WeakPolarHBondContact O-CD1 3.41Å; I121-L125 PolarHBondContact O-N 3.31Å
122K67.4Low71.4Confident189 Ų18981.4 Ų81.482%0.82242%0.424SS*.Hα-helixtrans-65.8-38.3-176.4-65.2-176179.8-177.60113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 3.02Å; K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.03Å; K122-A126 PolarHBondContact O-N 2.84Å
123N69.5Low70.9Confident97 Ų9783 Ų8352%0.51943%0.433SS..Hα-helixtrans-77.8-36.5-178.1-151.564.1000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.26Å; K120-N123 PolarHBondContact O-N 3.3Å; K120-N123 VanDerWaalsContact O-N 3.12Å; I121-N123 PolarHBondContact O-N 3.21Å; N123-A126 PolarHBondContact O-N 3.18Å; N123-H127 PolarHBondContact O-N 2.76Å; N123-H127 VanDerWaalsContact O-N 3.12Å
124A65.6Low70.5Confident17 Ų1785.9 Ų85.914%0.1445%0.453CS..Hα-helixtrans-63-42.8173.400000111.5F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.26Å; F117-A124 HydrophobicContact CE1-CB 4.37Å; K120-A124 WeakPolarHBondContact O-CB 3.36Å; K120-A124 PolarHBondContact O-N 3.38Å; A124-H127 PolarHBondContact O-N 3.34Å
125L65.2Low70.1Confident95 Ų9586.3 Ų86.350%0.49746%0.46SS..Hα-helixtrans-70.5-32.5174.8-88.181.3000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.12Å; F117-L125 HydrophobicContact CE1-CD1 3.74Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 WeakPolarHBondContact O-CD1 3.41Å; I121-L125 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.23Å; L125-F128 PolarHBondContact O-N 3.03Å
126A62.5Low70.2Confident52 Ų5289.8 Ų89.843%0.4349%0.485SS..Hα-helixtrans-67.2-28.5177.100000112.6K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.03Å; K122-A126 PolarHBondContact O-N 2.84Å; N123-A126 PolarHBondContact O-N 3.18Å; A126-F128 PolarHBondContact O-N 3.02Å; A126-L129 PolarHBondContact O-N 2.9Å
127H66.6Low70.4Confident112 Ų11294.8 Ų94.852%0.51951%0.511SS..THydrogen-bonded Turntrans-65.4-19.8175.9-160.4-66000113N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.76Å; N123-H127 VanDerWaalsContact O-N 3.12Å; A124-H127 PolarHBondContact O-N 3.34Å; L125-H127 VanDerWaalsContact C-N 3.28Å; L125-H127 PolarHBondContact O-N 3.23Å; H127-L129 PolarHBondContact O-N 2.89Å
128F64.8Low70.4Confident38 Ų3893.4 Ų93.417%0.16751%0.507CS..THydrogen-bonded Turntrans-69.9-15.4173-68-59.3000113.4F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.4Å; L125-F128 PolarHBondContact O-N 3.03Å; A126-F128 PolarHBondContact O-N 3.02Å; F128-L141 WeakPolarHBondContact O-CD2 3.37Å; F128-E145 HydrophobicContact CD1-CB 4.28Å; F128-E145 HydrophobicContact CD1-CG 3.91Å; F128-T146 HydrophobicContact CD1-CG2 4.17Å; F128-T146 HydrophobicContact CE1-CG2 3.98Å; F128-L149 HydrophobicContact CE1-CD1 4.44Å
129L65.1Low70.6Confident64 Ų6487.4 Ų87.434%0.33550%0.495SS..SBendtrans-122114.8176.8-10575000111.3A126 H127 I138 V142A126-L129 PolarHBondContact O-N 2.9Å; H127-L129 PolarHBondContact O-N 2.89Å; L129-I138 HydrophobicContact CD1-CG2 4.04Å; L129-I138 HydrophobicContact CD2-CD1 4.25Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 3.87Å; L129-I138 HydrophobicContact CG-CG2 4.29Å; L129-V142 HydrophobicContact CD1-CG2 3.27Å
130P63.3Low71.2Confident70 Ų7090.8 Ų90.846%0.45551%0.508SS..  trans-63.5140.5165.619.4-19.7000109.9G132 T133 L141P130-G132 PolarHBondContact O-N 3.48Å; P130-T133 HydrophobicContact CB-CG2 4.44Å; P130-T133 HydrophobicContact CG-CG2 3.7Å; P130-T133 WeakPolarHBondContact O-CG2 3.4Å; P130-L141 HydrophobicContact CG-CD1 3.81Å; P130-L141 HydrophobicContact CG-CD2 3.95Å
131Q63.8Low71.8Confident203 Ų20388.8 Ų88.895%0.94950%0.501SS*.THydrogen-bonded Turntrans-65.5130.1-178.8-63.1-170.5-1.100110.3
132G64.3Low72.5Confident82 Ų8285.8 Ų85.885%0.84549%0.488SS*.THydrogen-bonded Turntrans96.512.6175.500000116.1P130P130-G132 PolarHBondContact O-N 3.48Å
133T73.4Confident73.4Confident35 Ų3581 Ų8122%0.21547%0.47CS..  trans-71.3134.4175.752.90000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.44Å; P130-T133 HydrophobicContact CG-CG2 3.7Å; P130-T133 WeakPolarHBondContact O-CG2 3.4Å; T133-L141 HydrophobicContact CG2-CD1 3.88Å
134P75.3Confident74.2Confident76 Ų7680.9 Ų80.949%0.49447%0.469SS..  trans-66140.9176.629.2-35.2000110.9P136 L137P134-P136 WeakPolarHBondContact O-CD 3.44Å; P134-P136 VanDerWaalsContact O-N 3.12Å; P134-L137 HydrophobicContact CG-CB 4.39Å; P134-L137 HydrophobicContact CG-CD1 3.73Å; P134-L137 HydrophobicContact CG-CG 4.2Å; P134-L137 PolarHBondContact O-N 3.01Å
135T76.9Confident75.1Confident118 Ų11883 Ų8372%0.72448%0.475SS*.THydrogen-bonded Turntrans-49.5-35.7-171.749.20000116.8I138T135-I138 HydrophobicContact CG2-CD1 4.49Å
136P83.4Confident75.9Confident103 Ų10380.9 Ų80.967%0.66947%0.467SS*.THydrogen-bonded Turntrans-75.3-22.7179.426.9-34.3000114.6P134P134-P136 WeakPolarHBondContact O-CD 3.44Å; P134-P136 VanDerWaalsContact O-N 3.12Å
137L81.9Confident77Confident106 Ų10682.4 Ų82.456%0.55547%0.467SS*.THydrogen-bonded Turntrans-87.4-11.2-177.6-66.2177.4000113.3P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.39Å; P134-L137 HydrophobicContact CG-CD1 3.73Å; P134-L137 HydrophobicContact CG-CG 4.2Å; P134-L137 PolarHBondContact O-N 3.01Å; L137-M140 PolarHBondContact O-N 3.49Å; L137-L141 PolarHBondContact O-N 3.01Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I80.8Confident77.9Confident50 Ų5079.6 Ų79.626%0.25646%0.459SS..Hα-helixtrans-55.4-49.3-175.8-66.1176.4000112.6L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.04Å; L129-I138 HydrophobicContact CD2-CD1 4.25Å; L129-I138 HydrophobicContact CD2-CG1 4.32Å; L129-I138 HydrophobicContact CD2-CG2 3.87Å; L129-I138 HydrophobicContact CG-CG2 4.29Å; T135-I138 HydrophobicContact CG2-CD1 4.49Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.78Å; I138-L141 PolarHBondContact O-N 3Å; I138-V142 HydrophobicContact CG2-CG2 4.49Å; I138-V142 WeakPolarHBondContact O-CG2 3.32Å; I138-V142 PolarHBondContact O-N 2.94Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P80.7Confident78.7Confident85 Ų8580 Ų8055%0.55246%0.463SS*.Hα-helixtrans-64.5-37.2-175.6-21.233.9000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.13Å; P139-I143 PolarHBondContact O-N 3.29Å
140M84.5Confident79.6Confident115 Ų11582 Ų8257%0.56747%0.474SS*.Hα-helixtrans-69-41.4179-174.363.6-17200111.4L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.49Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.78Å; M140-I143 PolarHBondContact O-N 2.91Å; M140-I144 HydrophobicContact CE-CD1 3.92Å; M140-I144 HydrophobicContact CE-CG1 4.14Å; M140-I144 HydrophobicContact CG-CD1 4.11Å; M140-I144 WeakPolarHBondContact O-CG1 3.21Å; M140-I144 PolarHBondContact O-N 3.05Å; M140-I144 VanDerWaalsContact O-N 3.13Å
141L85.3Confident80.7Confident48 Ų4883.4 Ų83.425%0.25148%0.476SS..Hα-helixtrans-66.5-40.7-178.1-168.3149.4000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.37Å; P130-L141 HydrophobicContact CG-CD1 3.81Å; P130-L141 HydrophobicContact CG-CD2 3.95Å; T133-L141 HydrophobicContact CG2-CD1 3.88Å; L137-L141 PolarHBondContact O-N 3.01Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 3Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.94Å; L141-I144 PolarHBondContact O-N 2.99Å; L141-E145 PolarHBondContact O-N 2.9Å
142V82.6Confident81.6Confident46 Ų4677.1 Ų77.128%0.27945%0.447SS..Hα-helixtrans-58.1-44.2175.4174.40000111L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.27Å; I138-V142 HydrophobicContact CG2-CG2 4.49Å; I138-V142 WeakPolarHBondContact O-CG2 3.32Å; I138-V142 PolarHBondContact O-N 2.94Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-I144 PolarHBondContact O-N 3.33Å; V142-E145 PolarHBondContact O-N 2.97Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.44Å; V142-T146 PolarHBondContact O-N 3.11Å; V142-T146 PolarHBondContact O-OG1 3.42Å
143I85.7Confident82.4Confident90 Ų9073.7 Ų73.746%0.46241%0.41SS..Hα-helixtrans-61-47.2178.4-66.2167.3000110.3P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.13Å; P139-I143 PolarHBondContact O-N 3.29Å; M140-I143 PolarHBondContact O-N 2.91Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 2.94Å; I143-E145 PolarHBondContact O-N 3.42Å; I143-T146 PolarHBondContact O-N 3.49Å; I143-T146 PolarHBondContact O-OG1 3.28Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.23Å; I143-I147 PolarHBondContact O-N 2.68Å
144I86.2Confident82.9Confident94 Ų9475.9 Ų75.948%0.48242%0.419SS..Hα-helixtrans-61.9-43.7179.6-64.3166.2000111.1M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 3.92Å; M140-I144 HydrophobicContact CE-CG1 4.14Å; M140-I144 HydrophobicContact CG-CD1 4.11Å; M140-I144 WeakPolarHBondContact O-CG1 3.21Å; M140-I144 PolarHBondContact O-N 3.05Å; M140-I144 VanDerWaalsContact O-N 3.13Å; L141-I144 PolarHBondContact O-N 2.99Å; V142-I144 PolarHBondContact O-N 3.33Å; I144-I147 PolarHBondContact O-N 3.46Å; I144-S148 WeakPolarHBondContact O-CB 3.27Å; I144-S148 PolarHBondContact O-N 3.46Å
145E84.6Confident83.4Confident60 Ų6074.2 Ų74.228%0.2841%0.411SS..Hα-helixtrans-66.8-39.7-179.1-166.560.8-157.800111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.28Å; F128-E145 HydrophobicContact CD1-CG 3.91Å; L141-E145 PolarHBondContact O-N 2.9Å; V142-E145 PolarHBondContact O-N 2.97Å; I143-E145 PolarHBondContact O-N 3.42Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.44Å; E145-S148 WeakPolarHBondContact O-CB 3.39Å; E145-S148 PolarHBondContact O-N 3.4Å; E145-L149 WeakPolarHBondContact O-CB 3.46Å; E145-L149 PolarHBondContact O-N 2.94Å
146T82.3Confident83.6Confident52 Ų5268.8 Ų68.832%0.31938%0.378SS..Hα-helixtrans-62.8-3817459.70000112.4F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.17Å; F128-T146 HydrophobicContact CE1-CG2 3.98Å; V142-T146 HydrophobicContact CG1-CG2 4.32Å; V142-T146 VanDerWaalsContact O-CG2 3.26Å; V142-T146 WeakPolarHBondContact O-CG2 3.44Å; V142-T146 PolarHBondContact O-N 3.11Å; V142-T146 PolarHBondContact O-OG1 3.42Å; I143-T146 PolarHBondContact O-N 3.49Å; I143-T146 PolarHBondContact O-OG1 3.28Å; T146-L150 WeakPolarHBondContact O-CG 3.23Å; T146-L150 PolarHBondContact O-N 3.45Å
147I86.1Confident83.6Confident84 Ų8463.9 Ų63.943%0.43135%0.346SS..Hα-helixtrans-68.3-43.5175.2-67.8167.1000110.6I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.3Å; I143-I147 WeakPolarHBondContact O-CG1 3.23Å; I143-I147 PolarHBondContact O-N 2.68Å; I144-I147 PolarHBondContact O-N 3.46Å; E145-I147 VanDerWaalsContact C-N 3.32Å; E145-I147 PolarHBondContact O-N 3.44Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.34Å; I147-L150 PolarHBondContact O-N 3.46Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.5Å; I147-I151 VanDerWaalsContact CG2-CD1 3.5Å; I147-I151 HydrophobicContact CG2-CG1 4.16Å; I147-I151 WeakPolarHBondContact O-CG1 3.3Å; I147-I151 PolarHBondContact O-N 3.22Å
148S84.4Confident83.9Confident52 Ų5261.9 Ų61.936%0.36434%0.338SS..Hα-helixtrans-56.9-46.5177.7-176.90000111.8I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.27Å; I144-S148 PolarHBondContact O-N 3.46Å; E145-S148 WeakPolarHBondContact O-CB 3.39Å; E145-S148 PolarHBondContact O-N 3.4Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.96Å; S148-I151 PolarHBondContact O-N 3.3Å; S148-Q152 PolarHBondContact O-N 3.18Å; S148-Q152 VanDerWaalsContact O-N 3.17Å
149L82.9Confident84.2Confident46 Ų4664 Ų6424%0.24134%0.343CS..Hα-helixtrans-60.5-35.9177.7-174.1122.3000112.3W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.1Å; W109-L149 HydrophobicContact CZ2-CD2 3.44Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.44Å; W109-L149 HydrophobicContact CZ2-CG 3.88Å; W109-L149 VanDerWaalsContact CZ2-O 3.28Å; W109-L149 WeakPolarHBondContact CZ2-O 3.45Å; W109-L149 PolarHBondContact NE1-O 2.87Å; F128-L149 HydrophobicContact CE1-CD1 4.44Å; E145-L149 WeakPolarHBondContact O-CB 3.46Å; E145-L149 PolarHBondContact O-N 2.94Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.34Å; L149-P153 WeakPolarHBondContact O-CD 3.38Å
150L83.4Confident84.3Confident107 Ų10760 Ų6056%0.5632%0.316SS*.Hα-helixtrans-78.2-34.4177.2-71.6173.6000113.8W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.75Å; W109-L150 HydrophobicContact CZ2-CD2 4.29Å; T146-L150 WeakPolarHBondContact O-CG 3.23Å; T146-L150 PolarHBondContact O-N 3.45Å; I147-L150 PolarHBondContact O-N 3.46Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 2.96Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å; L150-P153 WeakPolarHBondContact O-CG 3.49Å
151I85.8Confident84.3Confident100 Ų10055.2 Ų55.251%0.51329%0.294SS..Hα-helixtrans-72.4-31.1-179.3-70173000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.5Å; I147-I151 VanDerWaalsContact CG2-CD1 3.5Å; I147-I151 HydrophobicContact CG2-CG1 4.16Å; I147-I151 WeakPolarHBondContact O-CG1 3.3Å; I147-I151 PolarHBondContact O-N 3.22Å; S148-I151 PolarHBondContact O-N 3.3Å; I151-M154 WeakPolarHBondContact O-CB 3.47Å; I151-M154 PolarHBondContact O-N 3.17Å; I151-M154 VanDerWaalsContact O-N 3.14Å; I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.16Å; I151-A155 PolarHBondContact O-N 2.92Å
152Q83.6Confident84.3Confident71 Ų7154.9 Ų54.933%0.33230%0.298SS..Hα-helixtrans-51.5-53.3-177.4-108.6175.4-16.800116.1S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 3.18Å; S148-Q152 VanDerWaalsContact O-N 3.17Å; L150-Q152 VanDerWaalsContact C-N 3.35Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.49Å; Q152-A155 PolarHBondContact O-N 3.17Å; Q152-L156 PolarHBondContact O-N 2.92Å; Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.38Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.29Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; Q152-Y221 PolarHBondContact OE1-OH 3.49Å
153P80Confident84.6Confident10 Ų1055.5 Ų55.57%0.06530%0.3CS..Hα-helixtrans-64.1-34178.624-34.6000112.2W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.92Å; W109-P153 HydrophobicContact CB-CG 4.4Å; W109-P153 HydrophobicContact CD2-CB 4.31Å; W109-P153 HydrophobicContact CD2-CG 3.82Å; W109-P153 HydrophobicContact CE3-CG 4.33Å; W109-P153 HydrophobicContact CG-CB 3.86Å; W109-P153 HydrophobicContact CG-CG 3.83Å; L149-P153 WeakPolarHBondContact O-CD 3.38Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å; L150-P153 WeakPolarHBondContact O-CG 3.49Å; P153-L156 PolarHBondContact O-N 3.24Å; P153-A157 PolarHBondContact O-N 3.48Å; P153-A157 VanDerWaalsContact O-N 3.17Å
154M84.6Confident84.5Confident81 Ų8151.5 Ų51.540%0.39928%0.279SS..Hα-helixtrans-66.9-46.1175.2-17263.9172.100111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.36Å; L102-M154 HydrophobicContact CD1-SD 3.4Å; L102-M154 WeakPolarHBondContact CD1-SD 3.42Å; L102-M154 HydrophobicContact CD2-SD 4.19Å; L102-M154 HydrophobicContact CG-SD 4.45Å; I151-M154 WeakPolarHBondContact O-CB 3.47Å; I151-M154 PolarHBondContact O-N 3.17Å; I151-M154 VanDerWaalsContact O-N 3.14Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.49Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.01Å; M154-A157 PolarHBondContact O-N 3.5Å; M154-V158 HydrophobicContact CE-CG2 4.39Å; M154-V158 HydrophobicContact CG-CG2 4.5Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 2.96Å
155A85.4Confident84.6Confident40 Ų4048.8 Ų48.833%0.33127%0.267SS..Hα-helixtrans-61.4-36.8178.100000112I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.44Å; I151-A155 WeakPolarHBondContact O-CB 3.16Å; I151-A155 PolarHBondContact O-N 2.92Å; Q152-A155 PolarHBondContact O-N 3.17Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.2Å; A155-R159 PolarHBondContact O-N 3.37Å
156L80.9Confident84.7Confident5 Ų548.5 Ų48.53%0.02628%0.275CS..Hα-helixtrans-62.5-48.1175-163.678.9000111.9Q152 P153 M154 R159 L160 F214 L217 V218Q152-L156 PolarHBondContact O-N 2.92Å; P153-L156 PolarHBondContact O-N 3.24Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 3.01Å; L156-R159 PolarHBondContact O-N 2.83Å; L156-L160 PolarHBondContact O-N 3.47Å; L156-F214 HydrophobicContact CD1-CD2 4.2Å; L156-F214 HydrophobicContact CD2-CD1 4.17Å; L156-F214 HydrophobicContact CD2-CD2 3.34Å; L156-F214 HydrophobicContact CD2-CE1 4.05Å; L156-F214 HydrophobicContact CD2-CE2 3.2Å; L156-F214 HydrophobicContact CD2-CG 3.83Å; L156-F214 HydrophobicContact CD2-CZ 3.58Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; L156-L217 HydrophobicContact CD1-CB 4.01Å; L156-L217 HydrophobicContact CD1-CD1 3.37Å; L156-L217 HydrophobicContact CD1-CG 4.32Å; L156-V218 HydrophobicContact CD2-CG2 4.3Å
157A84.3Confident85Confident0 Ų046.3 Ų46.30%026%0.263CS..Hα-helixtrans-64.1-44.9179.800000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.32Å; N101-A157 HydrophobicContact CB-CB 3.91Å; N101-A157 PolarHBondContact ND2-O 3.16Å; L102-A157 HydrophobicContact CB-CB 4.41Å; L102-A157 HydrophobicContact CD1-CB 3.97Å; A105-A157 HydrophobicContact CB-CB 4.27Å; P153-A157 PolarHBondContact O-N 3.48Å; P153-A157 VanDerWaalsContact O-N 3.17Å; M154-A157 PolarHBondContact O-N 3.5Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.87Å; A157-L160 PolarHBondContact O-N 2.86Å; A157-T161 PolarHBondContact O-N 3.09Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.05Å
158V87.3Confident85.1Confident63 Ų6343.9 Ų43.938%0.38225%0.249SC..Hα-helixtrans-63.3-39177.4172.90000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.89Å; M154-V158 HydrophobicContact CE-CG2 4.39Å; M154-V158 HydrophobicContact CG-CG2 4.5Å; M154-V158 WeakPolarHBondContact O-CG2 3.42Å; M154-V158 PolarHBondContact O-N 2.96Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.41Å; V158-T161 WeakPolarHBondContact CA-OG1 3.28Å; V158-T161 PolarHBondContact O-N 3.38Å; V158-T161 PolarHBondContact O-OG1 3.15Å; V158-A162 WeakPolarHBondContact O-CB 3.29Å; V158-A162 PolarHBondContact O-N 3.11Å
159R87.6Confident85.3Confident96 Ų9643.3 Ų43.336%0.36224%0.242SC..Hα-helixtrans-60.9-43177.8-168.8-173-60.2151.42.8111.7A155 L156 A157 N163 Q210 L217A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.2Å; A155-R159 PolarHBondContact O-N 3.37Å; L156-R159 PolarHBondContact O-N 2.83Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 2.87Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.34Å; R159-N163 PolarHBondContact O-ND2 3.1Å; R159-Q210 VanDerWaalsContact C-NE2 3.29Å; R159-Q210 VanDerWaalsContact CG-NE2 3.33Å; R159-L217 VanDerWaalsContact NH1-CD1 3.32Å
160L82.2Confident85.6Confident0 Ų044.9 Ų44.90%025%0.25CS..Hα-helixtrans-67.3-44.2179.5178.566.5000110.9I79 N83 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.09Å; I79-L160 HydrophobicContact CG2-CD2 4.15Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.2Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.28Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.46Å; N101-L160 VanDerWaalsContact ND2-CG 3.31Å; N101-L160 WeakPolarHBondContact ND2-CG 3.08Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.36Å; L156-L160 PolarHBondContact O-N 3.47Å; A157-L160 PolarHBondContact O-N 2.86Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.41Å; L160-I164 HydrophobicContact CD1-CD1 3.64Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3Å; L160-I164 PolarHBondContact O-N 2.7Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.22Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.4Å
161T85.9Confident86Confident14 Ų1441.1 Ų41.19%0.08623%0.23CC..Hα-helixtrans-65.7-45.8177.648.30000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.39Å; L98-T161 VanDerWaalsContact CA-CG2 3.45Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.32Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.46Å; N101-T161 PolarHBondContact ND2-N 3.26Å; A157-T161 PolarHBondContact O-N 3.09Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.05Å; V158-T161 WeakPolarHBondContact CA-OG1 3.28Å; V158-T161 PolarHBondContact O-N 3.38Å; V158-T161 PolarHBondContact O-OG1 3.15Å; T161-N163 PolarHBondContact O-N 2.75Å; T161-I164 PolarHBondContact O-N 3.5Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.44Å; T161-T165 VanDerWaalsContact O-CG2 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.44Å; T161-T165 PolarHBondContact O-OG1 3Å
162A84.8Confident86.2Confident41 Ų4140 Ų4034%0.33922%0.222SC..Hα-helixtrans-63.8-44.3-172.700000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.29Å; V158-A162 PolarHBondContact O-N 3.11Å; A162-T165 PolarHBondContact O-OG1 3.16Å; A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 3.4Å
163N88Confident86.5Confident60 Ų6040.7 Ų40.732%0.32123%0.228SC..Hα-helixtrans-64-48.1-179.3-69.3-6.4000111.3R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.34Å; R159-N163 PolarHBondContact O-ND2 3.1Å; T161-N163 PolarHBondContact O-N 2.75Å; N163-G167 PolarHBondContact O-N 3.18Å; N163-V206 HydrophobicContact CB-CG1 4.09Å
164I85.3Confident87Confident6 Ų641.8 Ų41.83%0.03123%0.233CC..Hα-helixtrans-71.4-39-176.4-59.6173.3000111.5N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.28Å; N83-I164 VanDerWaalsContact CG-CD1 3.42Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.22Å; T93-I164 HydrophobicContact CG2-CG2 4.31Å; T95-I164 VanDerWaalsContact OG1-CD1 3.31Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.25Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.64Å; L160-I164 HydrophobicContact CD1-CD1 3.64Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3Å; L160-I164 PolarHBondContact O-N 2.7Å; T161-I164 PolarHBondContact O-N 3.5Å; I164-H168 WeakPolarHBondContact O-CB 3.41Å; I164-H168 PolarHBondContact O-N 2.93Å; I164-H168 VanDerWaalsContact O-N 3.11Å
165T87.6Confident87.3Confident36 Ų3639 Ų3922%0.22123%0.225CC..Hα-helixtrans-68.2-46177.252.90000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.35Å; F9-T165 HydrophobicContact CE1-CG2 4.05Å; T96-T165 HydrophobicContact CG2-CG2 3.72Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.44Å; T161-T165 VanDerWaalsContact O-CG2 3.23Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.44Å; T161-T165 PolarHBondContact O-OG1 3Å; A162-T165 PolarHBondContact O-OG1 3.16Å; T165-H168 PolarHBondContact O-N 2.73Å; T165-L169 WeakPolarHBondContact O-CB 3.39Å; T165-L169 WeakPolarHBondContact O-CG 3.28Å; T165-L169 PolarHBondContact O-N 3.42Å
166A87.3Confident87.4Confident55 Ų5539.5 Ų39.546%0.45523%0.226SC..Hα-helixtrans-64.3-42.6178.300000111.4A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 3.4Å; A166-L169 PolarHBondContact O-N 3.06Å; A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.27Å; A166-L170 PolarHBondContact O-N 3.02Å
167G88Confident87.8Confident6 Ų641.2 Ų41.26%0.06224%0.241CC..Hα-helixtrans-59.1-47.9176.200000112.7N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.18Å; G167-L170 PolarHBondContact O-N 3.25Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 2.8Å; G167-E203 WeakPolarHBondContact CA-OE2 3.33Å
168H88.1Confident88.1Confident32 Ų3242.1 Ų42.115%0.14825%0.247CC..Hα-helixtrans-62.4-44.8176-107-86.8000113.2F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.12Å; F9-H168 HydrophobicContact CZ-CB 3.86Å; G86-H168 PolarHBondContact O-CE1 3.05Å; G86-H168 PolarHBondContact O-NE2 3Å; I164-H168 WeakPolarHBondContact O-CB 3.41Å; I164-H168 PolarHBondContact O-N 2.93Å; I164-H168 VanDerWaalsContact O-N 3.11Å; T165-H168 PolarHBondContact O-N 2.73Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 3.14Å; H168-M171 PolarHBondContact O-N 3.06Å; H168-H172 PolarHBondContact O-N 3.48Å
169L88.3Confident88.2Confident40 Ų4045.3 Ų45.321%0.20926%0.261CS..Hα-helixtrans-60.8-42.5175.9-78.3170.7000111.4L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.26Å; F6-L169 HydrophobicContact CD1-CD2 4.43Å; F6-L169 HydrophobicContact CE1-CD1 4.03Å; F6-L169 HydrophobicContact CE1-CD2 4.1Å; F6-L169 HydrophobicContact CZ-CD2 4.45Å; F9-L169 HydrophobicContact CE2-CD1 4.37Å; F9-L169 HydrophobicContact CE2-CD2 3.7Å; F9-L169 HydrophobicContact CE2-CG 3.74Å; F9-L169 HydrophobicContact CZ-CD2 4.34Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.39Å; T165-L169 WeakPolarHBondContact O-CG 3.28Å; T165-L169 PolarHBondContact O-N 3.42Å; A166-L169 PolarHBondContact O-N 3.06Å; L169-H172 PolarHBondContact O-N 2.86Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.25Å; L169-L173 PolarHBondContact O-N 3.5Å
170L90.3Very high88.3Confident80 Ų8043 Ų4342%0.41926%0.262SS..Hα-helixtrans-68.9-40.3-178.8-158.4150.6000111.2A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.27Å; A166-L170 PolarHBondContact O-N 3.02Å; G167-L170 PolarHBondContact O-N 3.25Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 3.14Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3.26Å; L170-L173 PolarHBondContact O-N 2.98Å; L170-I174 HydrophobicContact CD2-CD1 3.51Å; L170-I174 HydrophobicContact CD2-CG1 4.14Å; L170-I174 WeakPolarHBondContact O-CG1 3.27Å; L170-I174 PolarHBondContact O-N 3.36Å; L170-L199 HydrophobicContact CB-CD2 4.44Å; L170-L199 HydrophobicContact CD2-CD1 3.63Å; L170-L199 HydrophobicContact CD2-CD2 3.18Å; L170-L199 HydrophobicContact CD2-CG 4.01Å; L170-L199 HydrophobicContact CG-CD2 4.39Å
171M90.6Very high88.6Confident28 Ų2845.9 Ų45.914%0.13828%0.277CS..Hα-helixtrans-59.6-43.2171.2-74.7-172.4-66.800111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 2.8Å; H168-M171 PolarHBondContact O-N 3.06Å; M171-G175 PolarHBondContact O-N 2.9Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.15Å; M171-T200 HydrophobicContact SD-CG2 3.92Å; M171-E203 HydrophobicContact CE-CG 4.2Å
172H89.3Confident88.7Confident75 Ų7548.3 Ų48.335%0.34729%0.294SS..Hα-helixtrans-67.4-41.5178.6-166.6-60.9000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.41Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.41Å; H168-H172 PolarHBondContact O-N 3.48Å; L169-H172 PolarHBondContact O-N 2.86Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-H172 PolarHBondContact O-N 3.26Å; H172-G175 PolarHBondContact O-N 3.39Å; H172-S176 PolarHBondContact O-N 2.96Å; H172-S176 PolarHBondContact O-OG 3.45Å
173L90.2Very high88.8Confident87 Ų8752 Ų5246%0.45531%0.313SS..Hα-helixtrans-63.8-48.4178.2-74.9172.1000111.3L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.8Å; L5-L173 HydrophobicContact CD2-CD2 4.44Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.25Å; L169-L173 PolarHBondContact O-N 3.5Å; L170-L173 PolarHBondContact O-N 2.98Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.29Å; L173-S176 PolarHBondContact O-N 3.47Å; L173-S176 PolarHBondContact O-OG 3.3Å; L173-A177 PolarHBondContact O-N 2.85Å
174I91.3Very high88.8Confident32 Ų3254.3 Ų54.316%0.16432%0.324CS..Hα-helixtrans-64.9-40176.6-64.4-174.7000110.4L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.51Å; L170-I174 HydrophobicContact CD2-CG1 4.14Å; L170-I174 WeakPolarHBondContact O-CG1 3.27Å; L170-I174 PolarHBondContact O-N 3.36Å; I174-S176 PolarHBondContact O-N 3.4Å; I174-A177 WeakPolarHBondContact O-CB 3.28Å; I174-A177 PolarHBondContact O-N 3.46Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.45Å; I174-T178 PolarHBondContact O-N 3.01Å; I174-I192 HydrophobicContact CG2-CG2 3.84Å; I174-I195 HydrophobicContact CD1-CG2 4.09Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I174-L199 HydrophobicContact CD1-CD2 4.11Å
175G90.3Very high88.9Confident22 Ų2258.5 Ų58.523%0.22735%0.346CS..Hα-helixtrans-55.9-49.5173.500000112.5M171 H172 L173 A177 T178 L179M171-G175 PolarHBondContact O-N 2.9Å; H172-G175 PolarHBondContact O-N 3.39Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.29Å; G175-A177 VanDerWaalsContact C-N 3.31Å; G175-A177 PolarHBondContact O-N 3.32Å; G175-T178 PolarHBondContact O-N 3.44Å; G175-T178 PolarHBondContact O-OG1 3.35Å; G175-L179 PolarHBondContact O-N 3.32Å
176S89Confident88.9Confident52 Ų5263.9 Ų63.936%0.36437%0.373SS..Hα-helixtrans-62.6-37.1176.671.80000112.6H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 2.96Å; H172-S176 PolarHBondContact O-OG 3.45Å; L173-S176 PolarHBondContact O-N 3.47Å; L173-S176 PolarHBondContact O-OG 3.3Å; I174-S176 PolarHBondContact O-N 3.4Å; S176-L179 PolarHBondContact O-N 2.91Å; S176-A180 WeakPolarHBondContact O-CB 3.4Å; S176-A180 PolarHBondContact O-N 3.38Å
177A88.8Confident89Confident41 Ų4165.7 Ų65.734%0.33938%0.38SS..Hα-helixtrans-67-41175.400000111.9L173 I174 G175 L179 A180 M181L173-A177 PolarHBondContact O-N 2.85Å; I174-A177 WeakPolarHBondContact O-CB 3.28Å; I174-A177 PolarHBondContact O-N 3.46Å; G175-A177 VanDerWaalsContact C-N 3.31Å; G175-A177 PolarHBondContact O-N 3.32Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.39Å; A177-A180 PolarHBondContact O-N 3.43Å; A177-M181 WeakPolarHBondContact O-CB 3.47Å; A177-M181 WeakPolarHBondContact O-CG 3.39Å; A177-M181 PolarHBondContact O-N 3.33Å
178T90.8Very high89Confident19 Ų1967.1 Ų67.112%0.11739%0.389CS..Hα-helixtrans-60.8-41.8174.4610000111.4I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.45Å; I174-T178 PolarHBondContact O-N 3.01Å; G175-T178 PolarHBondContact O-N 3.44Å; G175-T178 PolarHBondContact O-OG1 3.35Å; T178-M181 PolarHBondContact O-N 2.87Å; T178-S182 WeakPolarHBondContact O-CB 3.11Å; T178-S182 PolarHBondContact O-N 3.33Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.39Å
179L89.8Confident89.2Confident129 Ų12966.8 Ų66.868%0.67539%0.389SS*.Hα-helixtrans-68-42.1-179.9-166.3134.5000111.4G175 S176 A177 S182G175-L179 PolarHBondContact O-N 3.32Å; S176-L179 PolarHBondContact O-N 2.91Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.39Å; L179-S182 WeakPolarHBondContact O-CB 3.31Å; L179-S182 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-OG 2.96Å
180A88.9Confident89.3Confident47 Ų4770.6 Ų70.639%0.38841%0.409SS..Hα-helixtrans-62.5-45.7174.400000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.4Å; S176-A180 PolarHBondContact O-N 3.38Å; A177-A180 PolarHBondContact O-N 3.43Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.25Å; A180-T183 PolarHBondContact O-N 3Å; A180-T183 PolarHBondContact O-OG1 2.98Å
181M87.5Confident89.5Confident62 Ų6272 Ų7231%0.30542%0.416SS..Hα-helixtrans-69.6-24.9-179-67.9-63.5111.500113.4A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.47Å; A177-M181 WeakPolarHBondContact O-CG 3.39Å; A177-M181 PolarHBondContact O-N 3.33Å; T178-M181 PolarHBondContact O-N 2.87Å; M181-T183 PolarHBondContact O-N 3.38Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.58Å; M181-I184 HydrophobicContact SD-CD1 4.19Å; M181-N185 PolarHBondContact O-N 2.81Å; M181-N185 VanDerWaalsContact O-N 3.09Å; M181-T189 PolarHBondContact O-OG1 2.86Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.67Å
182S87.7Confident89.6Confident64 Ų6472.7 Ų72.745%0.44842%0.42SS..Hα-helixtrans-57.4-29.8177.577.10000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.11Å; T178-S182 PolarHBondContact O-N 3.33Å; L179-S182 WeakPolarHBondContact O-CB 3.31Å; L179-S182 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-OG 2.96Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.25Å; S182-T189 VanDerWaalsContact CA-OG1 3.32Å; S182-T189 WeakPolarHBondContact CA-OG1 3.29Å; S182-T189 PolarHBondContact N-OG1 2.87Å
183T87.4Confident89.7Confident120 Ų12074.1 Ų74.174%0.73643%0.425SS*.THydrogen-bonded Turntrans-81.7-18.5179.166.20000113.7A180 M181A180-T183 PolarHBondContact O-N 3Å; A180-T183 PolarHBondContact O-OG1 2.98Å; M181-T183 PolarHBondContact O-N 3.38Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I88.1Confident89.9Confident107 Ų10773.7 Ų73.755%0.54943%0.426SS..THydrogen-bonded Turntrans-99.2-60.6-173.2-59.4167.7000110.2M181M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.58Å; M181-I184 HydrophobicContact SD-CD1 4.19Å
185N88.4Confident90Very high95 Ų9576 Ų7651%0.50844%0.438SS..  trans-145.7124.5-172.5-82.6-19.7000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 2.81Å; M181-N185 VanDerWaalsContact O-N 3.09Å; N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-OG 3.42Å; N185-T189 PolarHBondContact O-N 2.95Å; N185-T189 PolarHBondContact O-OG1 3.46Å
186L87.6Confident90.2Very high148 Ų14876.5 Ų76.578%0.77544%0.436SS*.Hα-helixtrans-62.7-45.7177.2-159.186.6000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.06Å; L186-T189 WeakPolarHBondContact O-CB 3.09Å; L186-T189 PolarHBondContact O-N 3.24Å; L186-L190 PolarHBondContact O-N 3.2Å; L186-L190 VanDerWaalsContact O-N 3.16Å
187P89.3Confident90.4Very high94 Ų9477.7 Ų77.761%0.6144%0.437SS*.Hα-helixtrans-68.9-36.7-174.425.2-33.2000112.9T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 2.93Å; P187-I191 PolarHBondContact O-N 3.34Å
188S87.6Confident90.7Very high36 Ų3681.4 Ų81.425%0.25245%0.45SS..Hα-helixtrans-67.2-35.1174.350.90000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.24Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-OG 3.42Å; L186-S188 PolarHBondContact O-N 3.06Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.39Å; S188-I191 PolarHBondContact O-N 2.87Å; S188-I192 WeakPolarHBondContact O-CG1 3.35Å; S188-I192 PolarHBondContact O-N 2.95Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T92.1Very high90.8Very high24 Ų2481.6 Ų81.615%0.14745%0.451CS..Hα-helixtrans-61.8-41.5175.6-590000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.86Å; M181-T189 VanDerWaalsContact O-OG1 3.1Å; S182-T189 VanDerWaalsContact CA-OG1 3.32Å; S182-T189 WeakPolarHBondContact CA-OG1 3.29Å; S182-T189 PolarHBondContact N-OG1 2.87Å; N185-T189 PolarHBondContact O-N 2.95Å; N185-T189 PolarHBondContact O-OG1 3.46Å; L186-T189 WeakPolarHBondContact O-CB 3.09Å; L186-T189 PolarHBondContact O-N 3.24Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.46Å; T189-I192 PolarHBondContact O-N 2.93Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.44Å
190L91.4Very high90.9Very high121 Ų12177.9 Ų77.963%0.63443%0.434SS*.Hα-helixtrans-60.1-41.7177.3-159.285.3000111.7L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.2Å; L186-L190 VanDerWaalsContact O-N 3.16Å; P187-L190 PolarHBondContact O-N 2.93Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.39Å; L190-F193 PolarHBondContact O-N 2.97Å; L190-T194 WeakPolarHBondContact O-CG2 3.25Å; L190-T194 PolarHBondContact O-N 2.96Å; L190-T194 PolarHBondContact O-OG1 2.97Å
191I92.9Very high91.1Very high109 Ų10980.5 Ų80.556%0.55944%0.44SS*.Hα-helixtrans-64.9-44.2178.6-62.7165.6000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.34Å; S188-I191 PolarHBondContact O-N 2.87Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.46Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 3.38Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-OG1 3.18Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 2.77Å
192I93.1Very high91.3Very high42 Ų4282.2 Ų82.222%0.21545%0.45CS..Hα-helixtrans-70.8-33.6179.9-56.6166.7000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.84Å; T178-I192 HydrophobicContact CG2-CB 3.91Å; T178-I192 HydrophobicContact CG2-CG2 3.39Å; M181-I192 HydrophobicContact CB-CD1 4.19Å; M181-I192 HydrophobicContact CG-CD1 3.67Å; S188-I192 WeakPolarHBondContact O-CG1 3.35Å; S188-I192 PolarHBondContact O-N 2.95Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 2.93Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.45Å; I192-L196 PolarHBondContact O-N 2.88Å
193F92.6Very high91.5Very high105 Ų10579.8 Ų79.846%0.46143%0.431SS..Hα-helixtrans-66-38.8175.3-174.4-106.6000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.44Å; L190-F193 PolarHBondContact O-N 2.97Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 3.38Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.96Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.44Å; F193-L196 PolarHBondContact O-N 3.32Å; F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.43Å; F193-I197 PolarHBondContact O-N 2.86Å
194T93.5Very high91.6Very high78 Ų7878 Ų7848%0.47942%0.417SS..Hα-helixtrans-65.1-36.6173.457.10000111.8L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.25Å; L190-T194 PolarHBondContact O-N 2.96Å; L190-T194 PolarHBondContact O-OG1 2.97Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-OG1 3.18Å; T194-I197 PolarHBondContact O-N 2.83Å; T194-L198 PolarHBondContact O-N 3.15Å
195I94.4Very high91.8Very high82 Ų8275.1 Ų75.142%0.42141%0.409SS..Hα-helixtrans-62.6-42.4172.8-65.3166.6000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.09Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 2.77Å; I192-I195 WeakPolarHBondContact O-CB 3.49Å; I192-I195 PolarHBondContact O-N 3.45Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 2.96Å; I195-I197 PolarHBondContact O-N 3Å; I195-L198 PolarHBondContact O-N 3.36Å; I195-L199 WeakPolarHBondContact O-CB 3.36Å; I195-L199 PolarHBondContact O-N 3.46Å
196L93.5Very high92Very high32 Ų3272.4 Ų72.417%0.16840%0.395CS..Hα-helixtrans-59.2-45.6176-177.866.2000111.4I174 I192 F193 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.93Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I192-L196 PolarHBondContact O-N 2.88Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.44Å; F193-L196 PolarHBondContact O-N 3.32Å; L196-L198 PolarHBondContact O-N 3.39Å; L196-L199 WeakPolarHBondContact O-CB 3.38Å; L196-L199 PolarHBondContact O-N 3.48Å; L196-T200 WeakPolarHBondContact O-CG2 3.43Å; L196-T200 PolarHBondContact O-N 3.35Å
197I93Very high92.1Very high77 Ų7765.6 Ų65.640%0.39536%0.36SS..Hα-helixtrans-60.2-47.6176.3-67.4165.8000110.5F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.86Å; F193-I197 HydrophobicContact CE1-CD1 3.5Å; F193-I197 VanDerWaalsContact CE1-CD1 3.5Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.43Å; F193-I197 PolarHBondContact O-N 2.86Å; T194-I197 PolarHBondContact O-N 2.83Å; I195-I197 PolarHBondContact O-N 3Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 3.05Å; I197-T200 PolarHBondContact O-N 2.99Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.15Å; I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.22Å; I197-I201 PolarHBondContact O-N 2.87Å; I197-I201 VanDerWaalsContact O-N 3.15Å
198L94.9Very high92.1Very high118 Ų11866.7 Ų66.762%0.61836%0.36SS*.Hα-helixtrans-59.6-40.8179.4-17664.7000111.7T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.15Å; I195-L198 PolarHBondContact O-N 3.36Å; L196-L198 PolarHBondContact O-N 3.39Å; L198-I201 PolarHBondContact O-N 3.12Å; L198-L202 PolarHBondContact O-N 3.48Å
199L93.5Very high92.3Very high23 Ų2369.5 Ų69.512%0.1237%0.371CS..Hα-helixtrans-62.9-42.9175.9-179.772.2000112.1L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.44Å; L170-L199 HydrophobicContact CD2-CD1 3.63Å; L170-L199 HydrophobicContact CD2-CD2 3.18Å; L170-L199 HydrophobicContact CD2-CG 4.01Å; L170-L199 HydrophobicContact CG-CD2 4.39Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.55Å; M171-L199 HydrophobicContact CG-CG 4.15Å; I174-L199 HydrophobicContact CD1-CD2 4.11Å; I195-L199 WeakPolarHBondContact O-CB 3.36Å; I195-L199 PolarHBondContact O-N 3.46Å; L196-L199 WeakPolarHBondContact O-CB 3.38Å; L196-L199 PolarHBondContact O-N 3.48Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 3.05Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 3.15Å; L199-L202 HydrophobicContact CD1-CD2 4.46Å; L199-L202 WeakPolarHBondContact O-CB 3.14Å; L199-L202 PolarHBondContact O-N 3.46Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L199-E203 PolarHBondContact O-N 3.43Å
200T91.4Very high92.1Very high52 Ų5268.8 Ų68.832%0.31937%0.367SS..Hα-helixtrans-61.4-3817861.20000111.9M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.92Å; L196-T200 WeakPolarHBondContact O-CG2 3.43Å; L196-T200 PolarHBondContact O-N 3.35Å; I197-T200 PolarHBondContact O-N 2.99Å; I197-T200 VanDerWaalsContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 3.15Å; T200-E203 PolarHBondContact O-N 2.87Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 3.48Å
201I92.9Very high92Very high101 Ų10163.1 Ų63.152%0.51834%0.337SS..Hα-helixtrans-65.1-43.4175.5-64.2167.9000110.6I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.22Å; I197-I201 PolarHBondContact O-N 2.87Å; I197-I201 VanDerWaalsContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 3.12Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 3.15Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.03Å; I201-I204 PolarHBondContact O-N 2.92Å; I201-A205 PolarHBondContact O-N 2.96Å; I201-A205 VanDerWaalsContact O-N 3.15Å
202L92Very high91.9Very high99 Ų9962.8 Ų62.852%0.51833%0.33SS..Hα-helixtrans-59.6-45.2175.7179.667000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.48Å; L199-L202 HydrophobicContact CD1-CD2 4.46Å; L199-L202 WeakPolarHBondContact O-CB 3.14Å; L199-L202 PolarHBondContact O-N 3.46Å; L199-L202 VanDerWaalsContact O-N 3.15Å; L202-I204 PolarHBondContact O-N 3.04Å; L202-A205 WeakPolarHBondContact O-CB 3.34Å; L202-A205 PolarHBondContact O-N 2.81Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.32Å; L202-V206 PolarHBondContact O-N 3.4Å
203E90.9Very high91.8Very high12 Ų1262.8 Ų62.86%0.05633%0.331CS..Hα-helixtrans-67-37.1-177-16264.5-16000112.1L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.43Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.43Å; L87-E203 VanDerWaalsContact CD2-CG 3.43Å; G167-E203 WeakPolarHBondContact CA-OE2 3.33Å; M171-E203 HydrophobicContact CE-CG 4.2Å; L199-E203 PolarHBondContact O-N 3.43Å; T200-E203 PolarHBondContact O-N 2.87Å; I201-E203 VanDerWaalsContact C-N 3.32Å; I201-E203 PolarHBondContact O-N 3.03Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.14Å; E203-V206 PolarHBondContact O-N 2.96Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 3.39Å
204I91.2Very high91.6Very high84 Ų8457.8 Ų57.843%0.43131%0.309SS..Hα-helixtrans-59.6-43.3171.5-67.6164.6000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.16Å; L87-I204 HydrophobicContact CD1-CB 4.21Å; L87-I204 HydrophobicContact CD1-CG1 3.61Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.46Å; T200-I204 PolarHBondContact O-N 3.48Å; I201-I204 PolarHBondContact O-N 2.92Å; L202-I204 PolarHBondContact O-N 3.04Å; I204-L208 PolarHBondContact O-N 2.94Å
205A91.9Very high91.3Very high46 Ų4654.1 Ų54.138%0.3829%0.287SS..Hα-helixtrans-65.2-45.7177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.96Å; I201-A205 VanDerWaalsContact O-N 3.15Å; L202-A205 WeakPolarHBondContact O-CB 3.34Å; L202-A205 PolarHBondContact O-N 2.81Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 3.14Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.44Å; A205-L208 PolarHBondContact O-N 3.4Å; A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.37Å; A205-I209 PolarHBondContact O-N 3.44Å
206V91.9Very high91.1Very high38 Ų3853 Ų5323%0.2328%0.281CS..Hα-helixtrans-61.4-42.3178.1172.70000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.09Å; L202-V206 HydrophobicContact CD1-CG2 4.35Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.32Å; L202-V206 PolarHBondContact O-N 3.4Å; E203-V206 PolarHBondContact O-N 2.96Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.64Å; V206-I209 PolarHBondContact O-N 3.06Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.97Å
207A89.6Confident90.7Very high4 Ų453.2 Ų53.23%0.03328%0.283CS..Hα-helixtrans-57.7-41.9178.200000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.93Å; N83-A207 PolarHBondContact ND2-O 3.35Å; L87-A207 HydrophobicContact CD1-CB 4.08Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.35Å; E203-A207 PolarHBondContact O-N 3.39Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.44Å; A207-A211 PolarHBondContact O-N 2.66Å
208L89.5Confident90.4Very high117 Ų11749.9 Ų49.961%0.61327%0.266SS*.Hα-helixtrans-75.7-43.9179.3-169.5146.5000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 2.94Å; A205-L208 PolarHBondContact O-N 3.4Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 2.64Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.42Å; L208-A211 PolarHBondContact O-N 2.68Å; L208-Y212 PolarHBondContact O-N 3.48Å
209I91.1Very high90Very high95 Ų9544.9 Ų44.949%0.48724%0.24SC..Hα-helixtrans-60.6-40.7177.2-69.2166.7000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.44Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.37Å; A205-I209 PolarHBondContact O-N 3.44Å; V206-I209 PolarHBondContact O-N 3.06Å; I209-A211 PolarHBondContact O-N 3.28Å; I209-Y212 WeakPolarHBondContact O-CB 3.28Å; I209-Y212 PolarHBondContact O-N 3.33Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 3.47Å
210Q89.3Confident89.6Confident10 Ų1047.4 Ų47.45%0.04725%0.254CS..Hα-helixtrans-66.7-37.9-177.8-173.763.8800112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.29Å; R159-Q210 VanDerWaalsContact CG-NE2 3.33Å; L160-Q210 VanDerWaalsContact CA-NE2 3.26Å; L160-Q210 HydrophobicContact CB-CG 4.22Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.4Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; V206-Q210 WeakPolarHBondContact O-CB 3.49Å; V206-Q210 PolarHBondContact O-N 2.97Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.42Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.15Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.41Å; Q210-F214 PolarHBondContact O-N 3.22Å
211A89.9Confident89.1Confident1 Ų145.8 Ų45.81%0.00824%0.242CC..Hα-helixtrans-62.2-41172.500000111.7I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.48Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.92Å; A207-A211 PolarHBondContact O-N 2.66Å; L208-A211 PolarHBondContact O-N 2.68Å; I209-A211 PolarHBondContact O-N 3.28Å; A211-T215 WeakPolarHBondContact O-CG2 3.37Å; A211-T215 PolarHBondContact O-N 3.23Å; A211-T215 PolarHBondContact O-OG1 3.26Å
212Y90.1Very high88.5Confident103 Ų10341.1 Ų41.140%0.40422%0.218SC..Hα-helixtrans-66-49.1176.4177-100.8000112.4M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.43Å; I76-Y212 HydrophobicContact CD1-CD2 4.19Å; L208-Y212 PolarHBondContact O-N 3.48Å; I209-Y212 WeakPolarHBondContact O-CB 3.28Å; I209-Y212 PolarHBondContact O-N 3.33Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 3.15Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.35Å; Y212-T215 PolarHBondContact O-N 2.91Å; Y212-T215 PolarHBondContact O-OG1 3.27Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å
213V90.2Very high88.1Confident41 Ų4140.5 Ų40.525%0.24821%0.212CC..Hα-helixtrans-62.4-38.1179.1172.30000111.2I209 L217I209-V213 HydrophobicContact CG2-CG2 4.03Å; I209-V213 WeakPolarHBondContact O-CG2 3.49Å; I209-V213 PolarHBondContact O-N 3.47Å; V213-L217 HydrophobicContact CG1-CD1 3.83Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 3.47Å
214F87.9Confident87.5Confident1 Ų143.3 Ų43.30%0.00423%0.227CC..Hα-helixtrans-57.8-52.8176.3-172.2-80.5000111.4L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.02Å; L75-F214 HydrophobicContact CD2-CD1 3.86Å; L75-F214 HydrophobicContact CD2-CE1 3.78Å; L75-F214 HydrophobicContact CG-CD1 4.26Å; L75-F214 HydrophobicContact CG-CE1 4.17Å; I79-F214 HydrophobicContact CD1-CB 4.2Å; I79-F214 HydrophobicContact CD1-CD1 3.33Å; I79-F214 HydrophobicContact CD1-CD2 4.31Å; I79-F214 HydrophobicContact CD1-CE1 3.7Å; I79-F214 HydrophobicContact CD1-CG 3.69Å; I79-F214 HydrophobicContact CD1-CZ 4.34Å; A105-F214 HydrophobicContact CB-CE2 4.32Å; A105-F214 HydrophobicContact CB-CZ 4.12Å; L108-F214 HydrophobicContact CD1-CE1 4.23Å; L156-F214 HydrophobicContact CD1-CD2 4.2Å; L156-F214 HydrophobicContact CD2-CD1 4.17Å; L156-F214 HydrophobicContact CD2-CD2 3.34Å; L156-F214 HydrophobicContact CD2-CE1 4.05Å; L156-F214 HydrophobicContact CD2-CE2 3.2Å; L156-F214 HydrophobicContact CD2-CG 3.83Å; L156-F214 HydrophobicContact CD2-CZ 3.58Å; L156-F214 HydrophobicContact CG-CD2 3.42Å; L156-F214 VanDerWaalsContact CG-CD2 3.42Å; L156-F214 HydrophobicContact CG-CE2 3.59Å; L156-F214 HydrophobicContact CG-CG 4.16Å; L156-F214 HydrophobicContact CG-CZ 4.45Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.41Å; Q210-F214 PolarHBondContact O-N 3.22Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.35Å; F214-L217 PolarHBondContact O-N 3.05Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 2.95Å
215T89.1Confident86.7Confident0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-71.9-35.3-176.752.10000112.9M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.33Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.53Å; L75-T215 HydrophobicContact CG-CG2 3.7Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.16Å; A211-T215 WeakPolarHBondContact O-CG2 3.37Å; A211-T215 PolarHBondContact O-N 3.23Å; A211-T215 PolarHBondContact O-OG1 3.26Å; Y212-T215 PolarHBondContact O-N 2.91Å; Y212-T215 PolarHBondContact O-OG1 3.27Å; T215-V218 PolarHBondContact O-N 3.21Å; T215-S219 WeakPolarHBondContact O-CB 3.44Å; T215-S219 PolarHBondContact O-N 3Å
216L88.5Confident85.6Confident59 Ų5939.8 Ų39.831%0.30920%0.204SC..Hα-helixtrans-62.4-44.9174.6-175.2148.3000111.6Y212 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 3.35Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.41Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.39Å; L216-S219 PolarHBondContact O-N 2.99Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-S219 PolarHBondContact O-OG 2.8Å; L216-L220 PolarHBondContact O-N 3.1Å
217L86.6Confident85.3Confident37 Ų3739.9 Ų39.919%0.19420%0.203CC..Hα-helixtrans-63.2-42.9177.7-78.4163.8000111.7L156 R159 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.01Å; L156-L217 HydrophobicContact CD1-CD1 3.37Å; L156-L217 HydrophobicContact CD1-CG 4.32Å; R159-L217 VanDerWaalsContact NH1-CD1 3.32Å; V213-L217 HydrophobicContact CG1-CD1 3.83Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 WeakPolarHBondContact O-CG 3.45Å; V213-L217 PolarHBondContact O-N 3.47Å; F214-L217 PolarHBondContact O-N 3.05Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.16Å; L217-L220 PolarHBondContact O-N 3.29Å; L217-Y221 HydrophobicContact CB-CE2 4.19Å; L217-Y221 WeakPolarHBondContact O-CD2 3.49Å; L217-Y221 WeakPolarHBondContact O-CE2 3.22Å; L217-Y221 PolarHBondContact O-N 3.23Å
218V85.9Confident85.1Confident7 Ų741.8 Ų41.84%0.04221%0.212CC..Hα-helixtrans-59.4-41.1173.3177.30000111.3L72 L108 L156 F214 T215 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.85Å; L108-V218 HydrophobicContact CB-CG1 4.35Å; L156-V218 HydrophobicContact CD2-CG2 4.3Å; F214-V218 HydrophobicContact CD1-CG2 4.38Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 2.95Å; T215-V218 PolarHBondContact O-N 3.21Å; V218-Y221 PolarHBondContact O-N 3.02Å; V218-L222 PolarHBondContact O-N 3.34Å; V218-L222 VanDerWaalsContact O-N 3.07Å
219S86.6Confident84.8Confident12 Ų1237.6 Ų37.68%0.08419%0.19CC..Hα-helixtrans-66-38.4176.9860000112.2H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact CE1-O 3.22Å; H61-S219 PolarHBondContact NE2-O 3.09Å; T215-S219 WeakPolarHBondContact O-CB 3.44Å; T215-S219 PolarHBondContact O-N 3Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.39Å; L216-S219 PolarHBondContact O-N 2.99Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-S219 PolarHBondContact O-OG 2.8Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.16Å; S219-L222 WeakPolarHBondContact O-CB 3.41Å; S219-L222 PolarHBondContact O-N 3.3Å; S219-H223 PolarHBondContact O-N 3.39Å
220L84.9Confident84.5Confident77 Ų7734.2 Ų34.240%0.40317%0.172SC..Hα-helixtrans-65.6-41.4176.8-170.7148.1000111.1L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.1Å; L217-L220 PolarHBondContact O-N 3.29Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.12Å; L220-H223 WeakPolarHBondContact O-CA 3.28Å; L220-H223 WeakPolarHBondContact O-CB 3.48Å; L220-H223 PolarHBondContact O-N 3.5Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 VanDerWaalsContact CD2-OD2 3.22Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.24Å; L220-D224 PolarHBondContact O-N 2.98Å
221Y80.2Confident84.2Confident18 Ų1835.8 Ų35.87%0.07118%0.18CC..Hα-helixtrans-61.1-38.7172.6-61.2-47.6000112.5Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.34Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.38Å; Q152-Y221 VanDerWaalsContact NE2-CE1 3.29Å; Q152-Y221 PolarHBondContact NE2-OH 2.88Å; Q152-Y221 PolarHBondContact OE1-OH 3.49Å; L217-Y221 HydrophobicContact CB-CE2 4.19Å; L217-Y221 WeakPolarHBondContact O-CD2 3.49Å; L217-Y221 WeakPolarHBondContact O-CE2 3.22Å; L217-Y221 PolarHBondContact O-N 3.23Å; V218-Y221 PolarHBondContact O-N 3.02Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.38Å; Y221-N225 VanDerWaalsContact O-N 3.1Å; Y221-N225 PolarHBondContact O-ND2 3.37Å
222L82.2Confident83.8Confident3 Ų338.1 Ų38.12%0.01619%0.192CC..Hα-helixtrans-65.2-39.7175.8-170.873000110.9W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.47Å; W68-L222 VanDerWaalsContact CB-CD2 3.47Å; W68-L222 HydrophobicContact CD2-CD1 3.99Å; W68-L222 HydrophobicContact CD2-CD2 4.27Å; W68-L222 HydrophobicContact CG-CD1 4.01Å; W68-L222 HydrophobicContact CG-CD2 3.66Å; M115-L222 HydrophobicContact SD-CD1 4.18Å; V218-L222 PolarHBondContact O-N 3.34Å; V218-L222 VanDerWaalsContact O-N 3.07Å; S219-L222 WeakPolarHBondContact O-CB 3.41Å; S219-L222 PolarHBondContact O-N 3.3Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.12Å; L222-N225 PolarHBondContact O-N 3.39Å; L222-T226 HydrophobicContact CD1-CG2 4.24Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.46Å; L222-T226 WeakPolarHBondContact O-CG2 3.32Å; L222-T226 PolarHBondContact O-N 3.16Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.26Å
223H82Confident83.3Confident85 Ų8533.4 Ų33.439%0.39418%0.176SC..Hα-helixtrans-60.8-50.6175.4-173.983.9000111.7M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.38Å; M60-H223 PolarHBondContact O-ND1 3.46Å; S219-H223 PolarHBondContact O-N 3.39Å; L220-H223 WeakPolarHBondContact O-CA 3.28Å; L220-H223 WeakPolarHBondContact O-CB 3.48Å; L220-H223 PolarHBondContact O-N 3.5Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.46Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.47Å
224D78.6Confident82.8Confident71 Ų7132.8 Ų32.838%0.3817%0.171SC..Hα-helixtrans-62-31.4-179.2-64.9-16.2000112.4L220L220-D224 VanDerWaalsContact CD2-OD2 3.22Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.24Å; L220-D224 PolarHBondContact O-N 2.98Å
225N74.4Confident82.4Confident30 Ų3035.5 Ų35.516%0.1619%0.185CC..Hα-helixtrans-90.5-3.3-179.8-74.8-71.7000114.5G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.4Å; Y221-N225 VanDerWaalsContact O-CB 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.42Å; Y221-N225 PolarHBondContact O-N 3.38Å; Y221-N225 VanDerWaalsContact O-N 3.1Å; Y221-N225 PolarHBondContact O-ND2 3.37Å; L222-N225 PolarHBondContact O-N 3.39Å; H223-N225 PolarHBondContact O-N 3.46Å
226T69.4Low81.8Confident27 Ų2738.7 Ų38.717%0.16620%0.202CC..  trans-107.80-177.251.60000115.4M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.16Å; K120-T226 WeakPolarHBondContact CE-O 3.36Å; K120-T226 PolarHBondContact NZ-O 3.42Å; K120-T226 PolarHBondContact NZ-OXT 3.2Å; L222-T226 HydrophobicContact CD1-CG2 4.24Å; L222-T226 HydrophobicContact CG-CG2 4.26Å; L222-T226 WeakPolarHBondContact O-CB 3.46Å; L222-T226 WeakPolarHBondContact O-CG2 3.32Å; L222-T226 PolarHBondContact O-N 3.16Å; L222-T226 VanDerWaalsContact O-N 3.11Å; L222-T226 PolarHBondContact O-OG1 3.26Å; H223-T226 PolarHBondContact O-N 2.8Å; H223-T226 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact O-OG1 3.47Å

Retrieved 226 of 226 residues in 222.1 ms (Link to these results)