A0A060XPC6_ONCMY Loading...

Nuclear receptor subfamily 2 group E member 1

AlphaFold DB , UniProt , Accession A0A060XPC6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522357, Length 397 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
1M39.8Very low34.5Very low245 Ų245131.2 Ų131.2100%1.20786%0.858SS**  0106.10-72.3161.780.800107.2
2S33.8Very low34.8Very low123 Ų123132.2 Ų132.286%0.8685%0.849SS**  trans-86.8131.7-162.7-48.90000111.6
3K36.1Very low35Very low208 Ų208135.3 Ų135.390%0.90486%0.855SS**  trans-64.3157.2167.1-73.5-180174.1179.20110.9
4P41.3Very low35.8Very low131 Ų131136.4 Ų136.485%0.85185%0.849SS**  trans-122159.3138.633.3-21.3000113
5A35.2Very low36.2Very low107 Ų107138 Ų13888%0.88485%0.848SS**  trans-92.3172.8-169.700000112.7
6G30.6Very low36.3Very low74 Ų74138.6 Ų138.676%0.76384%0.844SS**  trans-85.3-161.1-16600000118.3
7S31Very low36.9Very low110 Ų110139.2 Ų139.277%0.76985%0.848SS**  trans89.3130.3172.6-153.30000114.6
8T34.2Very low37.3Very low129 Ų129141.3 Ų141.379%0.79184%0.844SS**  cis-175.1158.75.414.90000109
9S32.5Very low37.5Very low129 Ų129140.4 Ų140.490%0.90285%0.845SS**  trans97.9130.5145.6-158.60000120.9
10G31.4Very low38Very low68 Ų68138.9 Ų138.970%0.70184%0.841SS**  trans109.678.2156.400000115.3
11C33.3Very low38.7Very low119 Ų119143.9 Ų143.980%0.80485%0.845SS**  66.8104.386.8-147.10000115.1
12L38.7Very low39.4Very low143 Ų143138.9 Ų138.975%0.74982%0.821SS**  trans40.4111.3147.8-79.1128.1000120.3
13D36.5Very low40.8Very low173 Ų173140.2 Ų140.293%0.92582%0.818SS**  trans-144.270.6142.8-91.2-33.2000110.3
14I46.9Very low42.9Very low151 Ų151137 Ų13777%0.77481%0.811SS**  trans-98.3108.4153.3-64.5174.5000104.3
15L42Very low45.3Very low160 Ų160133.5 Ų133.584%0.83878%0.784SS**  trans167.693.8149.8-89.5-176.4000109.5
16N37.2Very low48.2Very low147 Ų147132.2 Ų132.279%0.78677%0.767SS**  trans-165.164.9135.6-150.112.8000114.1
17V47.4Very low51.4Low149 Ų149128.8 Ų128.890%0.90373%0.731SS**  trans-104.286.6156.4-176.80000107.2
18K42.4Very low54.6Low178 Ų178130 Ų13077%0.77472%0.723SS**  trans-129.8101.1167.6-81.6-173.1178.3176.60111.1
19S42.1Very low57.6Low123 Ų123123.9 Ų123.986%0.8669%0.685SS**  trans58.272.2141.2-148.50000118.4
20S47.5Very low60.7Low110 Ų110118 Ų11877%0.76964%0.644SS**  trans-87.2113.4160.5-43.60000109.5
21R52Low63.8Low244 Ų244117.3 Ų117.392%0.92164%0.637SS**SBendtrans173.526.5144.9-96.4-179.8-100.8-166.2-4.1118.1
22I55.9Low66.8Low140 Ų140112.9 Ų112.972%0.71861%0.605SS**SBendtrans-137.848.7171.3-44.6176.5000112.6I25I22-I25 HydrophobicContact CG2-CD1 4.11Å
23L62.1Low69.5Low152 Ų152114.1 Ų114.180%0.79660%0.6SS**SBendtrans-1211.3-178.2-74.1173.7000116.4
24D79.8Confident72.2Confident140 Ų140106.7 Ų106.775%0.74956%0.562SS**  trans-13952.9-178.2-147.421000114.8
25I93Very high74.4Confident57 Ų57102.4 Ų102.429%0.29255%0.545SS..PPolyproline II helixtrans-89125.5172.5-58.8173.2000108.3I22 S34 Y42I22-I25 HydrophobicContact CG2-CD1 4.11Å; I25-S34 WeakPolarHBondContact O-CA 3.45Å; I25-S34 WeakPolarHBondContact O-CB 3.36Å; I25-S34 PolarHBondContact O-N 3.08Å; I25-Y42 HydrophobicContact CB-CD1 4.44Å; I25-Y42 HydrophobicContact CD1-CD1 4.1Å; I25-Y42 HydrophobicContact CD1-CE1 3.64Å; I25-Y42 HydrophobicContact CD1-CE2 4.47Å; I25-Y42 HydrophobicContact CG2-CD1 3.89Å; I25-Y42 HydrophobicContact CG2-CD2 4.08Å; I25-Y42 HydrophobicContact CG2-CE1 4.45Å; I25-Y42 HydrophobicContact CG2-CG 3.67Å
26P95.9Very high76.8Confident80 Ų8096 Ų9652%0.51952%0.518SS..BIsolated β-bridgetrans-76.1146.9178.829.1-33.9000112.3K28P26-K28 PolarHBondContact O-N 2.81Å
27C97.6Very high79.6Confident2 Ų295.8 Ų95.81%0.01451%0.51CS..PPolyproline II helixtrans-64.9119.7172.5171.70000110V29 C30 G31 D32 C44C27-V29 PolarHBondContact O-N 2.93Å; C27-C30 PolarHBondContact O-N 3.06Å; C27-C30 VanDerWaalsContact SG-SG 3.65Å; C27-G31 WeakPolarHBondContact O-CA 3.44Å; C27-G31 PolarHBondContact O-N 2.79Å; C27-D32 WeakPolarHBondContact CA-O 3.33Å; C27-D32 WeakPolarHBondContact CB-O 3.34Å; C27-D32 PolarHBondContact N-O 2.67Å; C27-C44 HydrophobicContact CB-CB 4.02Å; C27-C44 PolarHBondContact SG-N 3.1Å; C27-C44 VanDerWaalsContact SG-SG 3.68Å
28K97.5Very high81.9Confident136 Ų13690.9 Ų90.959%0.59148%0.477SS*.THydrogen-bonded Turntrans-62.1-18-178.7-68.7-150.9175.7-172.10114.3P26 V41 Y42 V92P26-K28 PolarHBondContact O-N 2.81Å; K28-V41 HydrophobicContact CB-CG1 3.76Å; K28-V41 HydrophobicContact CD-CG1 3.88Å; K28-V41 HydrophobicContact CG-CG1 3.9Å; K28-Y42 PolarHBondContact N-O 3.2Å; K28-V92 HydrophobicContact CB-CB 4.24Å; K28-V92 HydrophobicContact CB-CG1 4.18Å; K28-V92 HydrophobicContact CB-CG2 4.48Å
29V98Very high84.5Confident0 Ų084.5 Ų84.50%045%0.448CS..THydrogen-bonded Turntrans-85.1-47.2179.5-177.80000112.3C27 C47 V73 R85 K88 V92 M94C27-V29 PolarHBondContact O-N 2.93Å; V29-C47 HydrophobicContact CB-CB 4.03Å; V29-C47 HydrophobicContact CG1-CB 4.23Å; V29-C47 HydrophobicContact CG2-CB 4.22Å; V29-V73 HydrophobicContact CG1-CG1 3.99Å; V29-V73 WeakPolarHBondContact O-CG1 3.23Å; V29-R85 HydrophobicContact CG1-CG 4.49Å; V29-K88 HydrophobicContact CG1-CG 4.49Å; V29-K88 VanDerWaalsContact O-CD 3.24Å; V29-K88 WeakPolarHBondContact O-CD 3.22Å; V29-K88 WeakPolarHBondContact O-CE 3.2Å; V29-K88 PolarHBondContact O-NZ 2.73Å; V29-V92 HydrophobicContact CG2-CG2 3.78Å; V29-M94 HydrophobicContact CG2-CE 3.68Å; V29-M94 HydrophobicContact CG2-SD 4.29Å
30C97.1Very high87Confident5 Ų581.9 Ų81.93%0.03444%0.44CS..THydrogen-bonded Turntrans-130.62.8-168.969.60000115.1C27 D32 V73 D74 K75 R78C27-C30 PolarHBondContact O-N 3.06Å; C27-C30 VanDerWaalsContact SG-SG 3.65Å; C30-D32 PolarHBondContact O-N 3.48Å; C30-D32 VanDerWaalsContact O-N 3.12Å; C30-D32 VanDerWaalsContact SG-CB 3.59Å; C30-V73 HydrophobicContact CB-CG1 4.3Å; C30-D74 CarbonylContact O-C 3.26Å; C30-D74 VanDerWaalsContact O-C 3.26Å; C30-D74 WeakPolarHBondContact O-CA 3.39Å; C30-K75 PolarHBondContact O-N 3.34Å; C30-R78 HydrophobicContact CB-CB 4.21Å; C30-R78 PolarHBondContact SG-NH1 3.46Å
31G96.1Very high89.3Confident54 Ų5477.2 Ų77.256%0.55741%0.407SS*.SBendtrans75.4-11179.700000115.8C27C27-G31 WeakPolarHBondContact O-CA 3.44Å; C27-G31 PolarHBondContact O-N 2.79Å
32D96Very high91.5Very high27 Ų2769.3 Ų69.314%0.14438%0.378CS..SBendtrans-62.9164.4174.8-162.712.2000112.4C27 C30 S34 C44 K75 R78C27-D32 WeakPolarHBondContact CA-O 3.33Å; C27-D32 WeakPolarHBondContact CB-O 3.34Å; C27-D32 PolarHBondContact N-O 2.67Å; C30-D32 PolarHBondContact O-N 3.48Å; C30-D32 VanDerWaalsContact O-N 3.12Å; C30-D32 VanDerWaalsContact SG-CB 3.59Å; D32-S34 PolarHBondContact O-N 3.33Å; D32-C44 HydrophobicContact CB-CB 4.29Å; D32-K75 HydrophobicContact CB-CB 4.26Å; D32-K75 HydrophobicContact CB-CD 4.22Å; D32-K75 HydrophobicContact CB-CG 4.09Å; D32-K75 WeakPolarHBondContact OD1-CD 3.48Å; D32-K75 WeakPolarHBondContact OD1-CE 3.33Å; D32-K75 IonicContact OD1-NZ 3.38Å; D32-K75 PolarHBondContact OD1-NZ 3.24Å; D32-R78 IonicContact OD2-CZ 3.72Å; D32-R78 IonicContact OD2-NH1 2.64Å; D32-R78 PolarHBondContact OD2-NH1 3.4Å; D32-R78 IonicContact OD2-NH2 3.08Å
33R95.4Very high93.4Very high168 Ų16862.6 Ų62.663%0.63434%0.344SS*.BIsolated β-bridgetrans-60.4127.3-178.7-167.5174.871.9155.10.7111.3C44R33-C44 VanDerWaalsContact O-CB 3.24Å; R33-C44 WeakPolarHBondContact O-CB 3.41Å
34S95.2Very high95.1Very high18 Ų1855.6 Ų55.613%0.12631%0.307CS..PPolyproline II helixtrans-72.2140.4176.4-173.50000110.9I25 D32 G36 A43I25-S34 WeakPolarHBondContact O-CA 3.45Å; I25-S34 WeakPolarHBondContact O-CB 3.36Å; I25-S34 PolarHBondContact O-N 3.08Å; D32-S34 PolarHBondContact O-N 3.33Å; S34-G36 PolarHBondContact OG-N 2.78Å; S34-G36 PolarHBondContact OG-O 3.08Å; S34-A43 PolarHBondContact OG-N 2.85Å; S34-A43 VanDerWaalsContact OG-N 3.11Å; S34-A43 PolarHBondContact OG-O 3.34Å
35S92.9Very high95.9Very high61 Ų6154.1 Ų54.143%0.42730%0.299SS..  trans-93.2-1.5170.253.70000112.4H38 A43 D45S35-H38 PolarHBondContact OG-NE2 3Å; S35-A43 PolarHBondContact N-O 2.91Å; S35-A43 PolarHBondContact OG-O 2.6Å; S35-D45 VanDerWaalsContact CB-OD1 3.3Å; S35-D45 WeakPolarHBondContact CB-OD1 3.42Å; S35-D45 PolarHBondContact OG-OD1 2.9Å
36G92.6Very high96.1Very high25 Ų2552.7 Ų52.726%0.25830%0.299SS..SBendtrans140.7-167-178.700000112.5S34 H38 Y42 A43S34-G36 PolarHBondContact OG-N 2.78Å; S34-G36 PolarHBondContact OG-O 3.08Å; G36-H38 PolarHBondContact O-CD2 2.93Å; G36-Y42 WeakPolarHBondContact O-CA 3.22Å; G36-A43 PolarHBondContact O-N 3.5Å; G36-A43 VanDerWaalsContact O-N 3.14Å
37K94.9Very high96.2Very high142 Ų14248.9 Ų48.962%0.61727%0.274SS*.EExtended strand (participates in β ladder)trans-81.5122.1172.5-72.1-173.3-179.1178.60109.9V41 Y42K37-V41 CarbonylContact C-O 3.33Å; K37-V41 WeakPolarHBondContact CA-O 3.31Å; K37-Y42 HydrophobicContact CD-CE2 4.45Å; K37-Y42 VanDerWaalsContact CE-CZ 3.48Å; K37-Y42 WeakPolarHBondContact CE-OH 3.41Å; K37-Y42 HydrophobicContact CG-CD1 3.92Å; K37-Y42 HydrophobicContact CG-CD2 4.31Å; K37-Y42 HydrophobicContact CG-CE1 3.69Å; K37-Y42 HydrophobicContact CG-CE2 4.09Å; K37-Y42 HydrophobicContact CG-CG 4.23Å
38H96Very high96.2Very high46 Ų4649.3 Ų49.321%0.21328%0.277CS..EExtended strand (participates in β ladder)trans-124.2125.8174.2-63.8-87.4000109.3S35 G36 G40 V41 A43 D45 S48S35-H38 PolarHBondContact OG-NE2 3Å; G36-H38 PolarHBondContact O-CD2 2.93Å; H38-G40 PolarHBondContact O-N 3.31Å; H38-V41 PolarHBondContact N-O 2.96Å; H38-V41 PolarHBondContact O-N 3Å; H38-V41 VanDerWaalsContact O-N 3.11Å; H38-V41 VanDerWaalsContact O-O 3.09Å; H38-A43 HydrophobicContact CB-CB 4.39Å; H38-A43 PolarHBondContact CD2-O 2.89Å; H38-A43 VanDerWaalsContact CD2-O 3.25Å; H38-D45 IonicContact NE2-OD1 3.37Å; H38-S48 WeakPolarHBondContact CB-OG 3.32Å; H38-S48 VanDerWaalsContact CG-OG 3.3Å; H38-S48 PolarHBondContact ND1-OG 3.4Å
39Y96.9Very high96.2Very high45 Ų4543.4 Ų43.418%0.17626%0.255CS..THydrogen-bonded Turntrans51.438.3-177.9-45.8-73.1000113S48 F51 K52 M94 N95 A98 V99Y39-S48 WeakPolarHBondContact CE2-OG 3.2Å; Y39-F51 HydrophobicContact CD1-CD1 4.42Å; Y39-F51 HydrophobicContact CD1-CE1 4.47Å; Y39-F51 AromaticContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CE1 4.25Å; Y39-F51 HydrophobicContact CE2-CD1 4.07Å; Y39-F51 AromaticContact CG-CD1 3.81Å; Y39-F51 HydrophobicContact CG-CD1 3.81Å; Y39-F51 AromaticContact CG-CE1 4Å; Y39-F51 HydrophobicContact CG-CE1 4Å; Y39-K52 WeakPolarHBondContact OH-CB 3.26Å; Y39-K52 WeakPolarHBondContact OH-CD 3.48Å; Y39-M94 WeakPolarHBondContact O-CA 3.46Å; Y39-N95 PolarHBondContact O-N 2.95Å; Y39-A98 HydrophobicContact CD1-CB 4.11Å; Y39-V99 HydrophobicContact CD1-CG2 3.72Å; Y39-V99 HydrophobicContact CE1-CB 4.36Å; Y39-V99 HydrophobicContact CE1-CG2 3.64Å; Y39-V99 HydrophobicContact CG-CG2 4.45Å
40G94.4Very high96.2Very high67 Ų6743.9 Ų43.969%0.69126%0.257SS*.THydrogen-bonded Turntrans90.9-7.917800000116H38H38-G40 PolarHBondContact O-N 3.31Å
41V96.2Very high96.2Very high12 Ų1243.7 Ų43.77%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-129.1146.3-172.9-171.90000111.4K28 K37 H38 A43 V92 N93 M94K28-V41 HydrophobicContact CB-CG1 3.76Å; K28-V41 HydrophobicContact CD-CG1 3.88Å; K28-V41 HydrophobicContact CG-CG1 3.9Å; K37-V41 CarbonylContact C-O 3.33Å; K37-V41 WeakPolarHBondContact CA-O 3.31Å; H38-V41 PolarHBondContact N-O 2.96Å; H38-V41 PolarHBondContact O-N 3Å; H38-V41 VanDerWaalsContact O-N 3.11Å; H38-V41 VanDerWaalsContact O-O 3.09Å; V41-A43 PolarHBondContact O-N 2.73Å; V41-V92 HydrophobicContact CG1-CB 4.49Å; V41-V92 HydrophobicContact CG1-CG2 4.19Å; V41-V92 WeakPolarHBondContact CG2-O 3.44Å; V41-N93 WeakPolarHBondContact CG2-O 3.47Å; V41-M94 HydrophobicContact CB-CG 4.28Å; V41-M94 HydrophobicContact CG2-CG 4.11Å
42Y97.1Very high96.2Very high78 Ų7844.6 Ų44.631%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-66116.6170.2-71.9-77.3000110.8I25 K28 G36 K37I25-Y42 HydrophobicContact CB-CD1 4.44Å; I25-Y42 HydrophobicContact CD1-CD1 4.1Å; I25-Y42 HydrophobicContact CD1-CE1 3.64Å; I25-Y42 HydrophobicContact CD1-CE2 4.47Å; I25-Y42 HydrophobicContact CG2-CD1 3.89Å; I25-Y42 HydrophobicContact CG2-CD2 4.08Å; I25-Y42 HydrophobicContact CG2-CE1 4.45Å; I25-Y42 HydrophobicContact CG2-CG 3.67Å; K28-Y42 PolarHBondContact N-O 3.2Å; G36-Y42 WeakPolarHBondContact O-CA 3.22Å; K37-Y42 HydrophobicContact CD-CE2 4.45Å; K37-Y42 VanDerWaalsContact CE-CZ 3.48Å; K37-Y42 WeakPolarHBondContact CE-OH 3.41Å; K37-Y42 HydrophobicContact CG-CD1 3.92Å; K37-Y42 HydrophobicContact CG-CD2 4.31Å; K37-Y42 HydrophobicContact CG-CE1 3.69Å; K37-Y42 HydrophobicContact CG-CE2 4.09Å; K37-Y42 HydrophobicContact CG-CG 4.23Å
43A97.3Very high96.2Very high0 Ų049.6 Ų49.60%026%0.261CS..  trans-145.8154.2-175.400000112.4S34 S35 G36 H38 V41 M94S34-A43 PolarHBondContact OG-N 2.85Å; S34-A43 VanDerWaalsContact OG-N 3.11Å; S34-A43 PolarHBondContact OG-O 3.34Å; S35-A43 PolarHBondContact N-O 2.91Å; S35-A43 PolarHBondContact OG-O 2.6Å; G36-A43 PolarHBondContact O-N 3.5Å; G36-A43 VanDerWaalsContact O-N 3.14Å; H38-A43 HydrophobicContact CB-CB 4.39Å; H38-A43 PolarHBondContact CD2-O 2.89Å; H38-A43 VanDerWaalsContact CD2-O 3.25Å; V41-A43 PolarHBondContact O-N 2.73Å; A43-M94 HydrophobicContact CB-CE 3.25Å
44C97.5Very high96.3Very high4 Ų441.6 Ų41.63%0.02723%0.231CC..  trans-78.2160.7170.968.90000111.2C27 D32 R33 G46 C47 S48 R78C27-C44 HydrophobicContact CB-CB 4.02Å; C27-C44 PolarHBondContact SG-N 3.1Å; C27-C44 VanDerWaalsContact SG-SG 3.68Å; D32-C44 HydrophobicContact CB-CB 4.29Å; R33-C44 VanDerWaalsContact O-CB 3.24Å; R33-C44 WeakPolarHBondContact O-CB 3.41Å; C44-G46 PolarHBondContact O-N 2.66Å; C44-G46 VanDerWaalsContact O-N 3.16Å; C44-C47 PolarHBondContact O-N 3.11Å; C44-C47 VanDerWaalsContact O-N 3.1Å; C44-C47 PolarHBondContact SG-N 2.96Å; C44-S48 PolarHBondContact O-N 3.3Å; C44-R78 PolarHBondContact SG-NH1 3.44Å
45D96.4Very high96.3Very high110 Ų11043.1 Ų43.159%0.58824%0.237SC*.Hα-helixtrans-57.1-34.2178.7-64-32.1000112.7S35 H38 G49S35-D45 VanDerWaalsContact CB-OD1 3.3Å; S35-D45 WeakPolarHBondContact CB-OD1 3.42Å; S35-D45 PolarHBondContact OG-OD1 2.9Å; H38-D45 IonicContact NE2-OD1 3.37Å; D45-G49 PolarHBondContact O-N 3.02Å
46G97.2Very high96.2Very high27 Ų2744 Ų4428%0.27823%0.231SC..Hα-helixtrans-62.3-44.6177.600000113.1C44 F50 R85C44-G46 PolarHBondContact O-N 2.66Å; C44-G46 VanDerWaalsContact O-N 3.16Å; G46-F50 VanDerWaalsContact O-CB 3.28Å; G46-F50 WeakPolarHBondContact O-CB 3.21Å; G46-F50 PolarHBondContact O-N 2.92Å; G46-F50 VanDerWaalsContact O-N 3.13Å; G46-R85 PolarHBondContact O-NH2 2.97Å
47C98.2Very high96.1Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-79-37.6179.3-70.40000112V29 C44 F50 F51 R85V29-C47 HydrophobicContact CB-CB 4.03Å; V29-C47 HydrophobicContact CG1-CB 4.23Å; V29-C47 HydrophobicContact CG2-CB 4.22Å; C44-C47 PolarHBondContact O-N 3.11Å; C44-C47 VanDerWaalsContact O-N 3.1Å; C44-C47 PolarHBondContact SG-N 2.96Å; C47-F50 PolarHBondContact O-N 3.47Å; C47-F51 WeakPolarHBondContact O-CB 3.24Å; C47-F51 PolarHBondContact O-N 2.91Å; C47-R85 PolarHBondContact SG-NH2 3.47Å; C47-R85 VanDerWaalsContact SG-NH2 3.45Å
48S97.6Very high95.9Very high11 Ų1150.7 Ų50.78%0.07726%0.255CS..Hα-helixtrans-58.3-49.4172.41760000111.7H38 Y39 C44 F50 F51 K52H38-S48 WeakPolarHBondContact CB-OG 3.32Å; H38-S48 VanDerWaalsContact CG-OG 3.3Å; H38-S48 PolarHBondContact ND1-OG 3.4Å; Y39-S48 WeakPolarHBondContact CE2-OG 3.2Å; C44-S48 PolarHBondContact O-N 3.3Å; S48-F50 PolarHBondContact O-N 3.46Å; S48-F51 PolarHBondContact O-N 3.48Å; S48-K52 WeakPolarHBondContact O-CB 3.21Å; S48-K52 PolarHBondContact O-N 3.44Å
49G96.9Very high95.8Very high12 Ų1254.4 Ų54.412%0.12427%0.267CS..Hα-helixtrans-65.5-37.9177.700000113.2D45 R53D45-G49 PolarHBondContact O-N 3.02Å; G49-R53 WeakPolarHBondContact O-CG 3.33Å; G49-R53 VanDerWaalsContact O-CZ 3.32Å; G49-R53 PolarHBondContact O-N 3.19Å; G49-R53 VanDerWaalsContact O-N 3.16Å; G49-R53 PolarHBondContact O-NH1 3.41Å
50F98.1Very high95.6Very high10 Ų1058.4 Ų58.44%0.04430%0.297CS..Hα-helixtrans-64.2-46.5175.6171.5-96.6000112.2G46 C47 S48 R53 S54 Y61 R82 R85 L86G46-F50 VanDerWaalsContact O-CB 3.28Å; G46-F50 WeakPolarHBondContact O-CB 3.21Å; G46-F50 PolarHBondContact O-N 2.92Å; G46-F50 VanDerWaalsContact O-N 3.13Å; C47-F50 PolarHBondContact O-N 3.47Å; S48-F50 PolarHBondContact O-N 3.46Å; F50-R53 PolarHBondContact O-N 2.99Å; F50-S54 WeakPolarHBondContact O-CB 3.44Å; F50-S54 PolarHBondContact O-N 3.44Å; F50-S54 PolarHBondContact O-OG 3.22Å; F50-Y61 HydrophobicContact CE2-CE2 4.15Å; F50-Y61 HydrophobicContact CZ-CD2 4.46Å; F50-Y61 AromaticContact CZ-CE2 3.86Å; F50-Y61 HydrophobicContact CZ-CE2 3.86Å; F50-R82 HydrophobicContact CE2-CB 4.17Å; F50-R82 HydrophobicContact CE2-CG 4.15Å; F50-R82 HydrophobicContact CZ-CB 4.24Å; F50-R82 WeakPolarHBondContact CZ-O 3.45Å; F50-R85 VanDerWaalsContact CD1-CD 3.44Å; F50-R85 HydrophobicContact CD1-CG 3.85Å; F50-R85 HydrophobicContact CE1-CB 3.89Å; F50-R85 HydrophobicContact CE1-CG 3.67Å; F50-R85 HydrophobicContact CZ-CB 4.07Å; F50-R85 HydrophobicContact CZ-CG 4.23Å; F50-L86 HydrophobicContact CE1-CB 3.84Å; F50-L86 HydrophobicContact CE1-CD1 4.24Å; F50-L86 HydrophobicContact CZ-CB 4Å
51F97.9Very high95.6Very high0 Ų058.2 Ų58.20%028%0.275CS..Hα-helixtrans-60.2-50.5178-174.4-106.3000110.9Y39 C47 S48 R53 S54 I55 L86 C89 L90 M94 K96 V99Y39-F51 HydrophobicContact CD1-CD1 4.42Å; Y39-F51 HydrophobicContact CD1-CE1 4.47Å; Y39-F51 AromaticContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CE1 4.25Å; Y39-F51 HydrophobicContact CE2-CD1 4.07Å; Y39-F51 AromaticContact CG-CD1 3.81Å; Y39-F51 HydrophobicContact CG-CD1 3.81Å; Y39-F51 AromaticContact CG-CE1 4Å; Y39-F51 HydrophobicContact CG-CE1 4Å; C47-F51 WeakPolarHBondContact O-CB 3.24Å; C47-F51 PolarHBondContact O-N 2.91Å; S48-F51 PolarHBondContact O-N 3.48Å; F51-R53 PolarHBondContact O-N 3.1Å; F51-S54 PolarHBondContact O-N 3.23Å; F51-S54 VanDerWaalsContact O-N 3.11Å; F51-I55 HydrophobicContact CD1-CG1 4.26Å; F51-I55 HydrophobicContact CD2-CG1 4.16Å; F51-I55 HydrophobicContact CE1-CG1 3.95Å; F51-I55 HydrophobicContact CE2-CD1 3.99Å; F51-I55 HydrophobicContact CE2-CG1 3.85Å; F51-I55 HydrophobicContact CG-CG1 4.37Å; F51-I55 HydrophobicContact CZ-CD1 4.12Å; F51-I55 HydrophobicContact CZ-CG1 3.73Å; F51-I55 WeakPolarHBondContact O-CG1 3.34Å; F51-I55 PolarHBondContact O-N 3.41Å; F51-L86 HydrophobicContact CD2-CD1 4.12Å; F51-C89 HydrophobicContact CD2-CB 3.46Å; F51-C89 VanDerWaalsContact CD2-CB 3.46Å; F51-C89 HydrophobicContact CE2-CB 3.98Å; F51-C89 HydrophobicContact CG-CB 4.37Å; F51-L90 HydrophobicContact CE2-CD2 3.84Å; F51-L90 HydrophobicContact CE2-CG 4.43Å; F51-L90 HydrophobicContact CZ-CD2 4.27Å; F51-M94 HydrophobicContact CB-SD 3.83Å; F51-M94 HydrophobicContact CD1-CB 4.04Å; F51-M94 HydrophobicContact CD1-SD 4.15Å; F51-M94 HydrophobicContact CD2-CB 4.03Å; F51-M94 HydrophobicContact CD2-SD 3.98Å; F51-M94 HydrophobicContact CE1-CB 3.71Å; F51-M94 HydrophobicContact CE2-CB 3.68Å; F51-M94 HydrophobicContact CG-CB 4.18Å; F51-M94 HydrophobicContact CG-SD 3.72Å; F51-M94 HydrophobicContact CZ-CB 3.5Å; F51-M94 VanDerWaalsContact CZ-O 3.24Å; F51-M94 WeakPolarHBondContact CZ-O 3.48Å; F51-K96 HydrophobicContact CZ-CB 4.19Å; F51-V99 HydrophobicContact CD1-CG2 3.92Å; F51-V99 HydrophobicContact CE1-CG2 3.66Å
52K95.9Very high95.5Very high74 Ų7463.9 Ų63.932%0.32231%0.31SS..Hα-helixtrans-50.7-51.8175.9-171.4174.663.9-176.10112.8Y39 S48 S54 R56 V99Y39-K52 WeakPolarHBondContact OH-CB 3.26Å; Y39-K52 WeakPolarHBondContact OH-CD 3.48Å; S48-K52 WeakPolarHBondContact O-CB 3.21Å; S48-K52 PolarHBondContact O-N 3.44Å; K52-S54 VanDerWaalsContact C-N 3.3Å; K52-S54 PolarHBondContact O-N 3.4Å; K52-R56 VanDerWaalsContact O-CB 3.29Å; K52-R56 WeakPolarHBondContact O-CB 3.38Å; K52-R56 VanDerWaalsContact O-CG 3.29Å; K52-R56 WeakPolarHBondContact O-CG 3.47Å; K52-R56 PolarHBondContact O-N 3.17Å; K52-V99 HydrophobicContact CG-CG1 4.21Å
53R95.9Very high95.3Very high131 Ų13160.9 Ų60.949%0.49430%0.3SS..Hα-helixtrans-66.6-33.4-177.5-72.6-173.1-60.7-91.30.9112.5G49 F50 F51 R57G49-R53 WeakPolarHBondContact O-CG 3.33Å; G49-R53 VanDerWaalsContact O-CZ 3.32Å; G49-R53 PolarHBondContact O-N 3.19Å; G49-R53 VanDerWaalsContact O-N 3.16Å; G49-R53 PolarHBondContact O-NH1 3.41Å; F50-R53 PolarHBondContact O-N 2.99Å; F51-R53 PolarHBondContact O-N 3.1Å; R53-R57 PolarHBondContact O-N 3.47Å
54S96.5Very high94.6Very high1 Ų170.7 Ų70.71%0.00734%0.343CS..Hα-helixtrans-74.7-45.7-178-57.10000111.2F50 F51 K52 N58 R59 Y61F50-S54 WeakPolarHBondContact O-CB 3.44Å; F50-S54 PolarHBondContact O-N 3.44Å; F50-S54 PolarHBondContact O-OG 3.22Å; F51-S54 PolarHBondContact O-N 3.23Å; F51-S54 VanDerWaalsContact O-N 3.11Å; K52-S54 VanDerWaalsContact C-N 3.3Å; K52-S54 PolarHBondContact O-N 3.4Å; S54-N58 PolarHBondContact O-N 3.26Å; S54-R59 PolarHBondContact O-N 3.41Å; S54-Y61 WeakPolarHBondContact OG-CE2 3.31Å; S54-Y61 PolarHBondContact OG-OH 3.15Å
55I96Very high94Very high49 Ų4974.4 Ų74.425%0.25137%0.369SS..Hα-helixtrans-67.3-47177.1-59.3-54.9000111.3F51 R57 N58 L86 K96 V99F51-I55 HydrophobicContact CD1-CG1 4.26Å; F51-I55 HydrophobicContact CD2-CG1 4.16Å; F51-I55 HydrophobicContact CE1-CG1 3.95Å; F51-I55 HydrophobicContact CE2-CD1 3.99Å; F51-I55 HydrophobicContact CE2-CG1 3.85Å; F51-I55 HydrophobicContact CG-CG1 4.37Å; F51-I55 HydrophobicContact CZ-CD1 4.12Å; F51-I55 HydrophobicContact CZ-CG1 3.73Å; F51-I55 WeakPolarHBondContact O-CG1 3.34Å; F51-I55 PolarHBondContact O-N 3.41Å; I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 3.33Å; I55-N58 PolarHBondContact O-N 3.47Å; I55-L86 HydrophobicContact CD1-CD1 4.48Å; I55-K96 HydrophobicContact CD1-CB 4.11Å; I55-K96 HydrophobicContact CG1-CB 4.32Å; I55-K96 HydrophobicContact CG2-CB 4.18Å; I55-V99 HydrophobicContact CB-CB 4.31Å; I55-V99 HydrophobicContact CB-CG1 4.26Å; I55-V99 HydrophobicContact CB-CG2 4.07Å; I55-V99 HydrophobicContact CG1-CG2 4.28Å; I55-V99 HydrophobicContact CG2-CB 3.92Å; I55-V99 HydrophobicContact CG2-CG1 4.19Å; I55-V99 HydrophobicContact CG2-CG2 4.05Å
56R89.8Confident93Very high81 Ų8171 Ų7131%0.30636%0.36SS..Hα-helixtrans-58.2-36.2-179-80.5-173.4174.3171.9-0.4114.7K52 N58 V99 Q100 E102K52-R56 VanDerWaalsContact O-CB 3.29Å; K52-R56 WeakPolarHBondContact O-CB 3.38Å; K52-R56 VanDerWaalsContact O-CG 3.29Å; K52-R56 WeakPolarHBondContact O-CG 3.47Å; K52-R56 PolarHBondContact O-N 3.17Å; R56-N58 VanDerWaalsContact C-N 3.33Å; R56-V99 HydrophobicContact CG-CG1 3.7Å; R56-Q100 PolarHBondContact NE-O 3.2Å; R56-Q100 VanDerWaalsContact NE-O 3.09Å; R56-Q100 PolarHBondContact NH2-O 3.46Å; R56-E102 WeakPolarHBondContact CD-OE1 3.49Å; R56-E102 IonicContact CZ-OE1 3.58Å; R56-E102 IonicContact NE-OE1 3.25Å; R56-E102 IonicContact NH1-OE1 3.57Å; R56-E102 PolarHBondContact NH1-OE1 3.37Å
57R90.8Very high91.5Very high167 Ų16776.1 Ų76.163%0.6339%0.391SS*.THydrogen-bonded Turntrans-98.113.7-178.1-66.7178177.5179.7-5.2112.1R53 I55 R59R53-R57 PolarHBondContact O-N 3.47Å; I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 3.33Å; R57-R59 HydrophobicContact CB-CG 3.81Å; R57-R59 PolarHBondContact O-N 2.93Å; R57-R59 VanDerWaalsContact O-N 3.13Å
58N91.2Very high90.2Very high140 Ų14084.8 Ų84.875%0.74943%0.432SS*.THydrogen-bonded Turntrans40.251-174.7-162.929.7000112.2S54 I55 R56 T60S54-N58 PolarHBondContact O-N 3.26Å; I55-N58 PolarHBondContact O-N 3.47Å; R56-N58 VanDerWaalsContact C-N 3.33Å; N58-T60 PolarHBondContact O-N 3.22Å
59R94.4Very high89.3Confident123 Ų12385.2 Ų85.246%0.46444%0.438SS..  trans-77.9119-171.8-67.8-61.3-169.3-177.6-1.5110.7S54 R57 Y61S54-R59 PolarHBondContact O-N 3.41Å; R57-R59 HydrophobicContact CB-CG 3.81Å; R57-R59 PolarHBondContact O-N 2.93Å; R57-R59 VanDerWaalsContact O-N 3.13Å; R59-Y61 HydrophobicContact CB-CE1 3.97Å; R59-Y61 HydrophobicContact CB-CE2 3.9Å; R59-Y61 HydrophobicContact CG-CE1 4.38Å
60T93Very high88.8Confident130 Ų13088.2 Ų88.280%0.79847%0.469SS*.  trans-91.5121.1162.5-49.30000108.7N58N58-T60 PolarHBondContact O-N 3.22Å
61Y94.8Very high88.6Confident62 Ų6289 Ų8924%0.24348%0.475CS..  trans-108.4143.5174.5-57.3-66000109.9F50 S54 R59 R82 L86F50-Y61 HydrophobicContact CE2-CE2 4.15Å; F50-Y61 HydrophobicContact CZ-CD2 4.46Å; F50-Y61 AromaticContact CZ-CE2 3.86Å; F50-Y61 HydrophobicContact CZ-CE2 3.86Å; S54-Y61 WeakPolarHBondContact OG-CE2 3.31Å; S54-Y61 PolarHBondContact OG-OH 3.15Å; R59-Y61 HydrophobicContact CB-CE1 3.97Å; R59-Y61 HydrophobicContact CB-CE2 3.9Å; R59-Y61 HydrophobicContact CG-CE1 4.38Å; Y61-R82 HydrophobicContact CD1-CB 3.84Å; Y61-R82 HydrophobicContact CD2-CB 3.9Å; Y61-R82 HydrophobicContact CE1-CB 4.12Å; Y61-R82 HydrophobicContact CE2-CB 4.17Å; Y61-R82 HydrophobicContact CG-CB 3.73Å; Y61-L86 HydrophobicContact CD2-CB 4.12Å; Y61-L86 HydrophobicContact CD2-CD2 3.78Å; Y61-L86 HydrophobicContact CE2-CB 4.36Å; Y61-L86 HydrophobicContact CE2-CD2 3.89Å
62V92.4Very high88.4Confident132 Ų13292.6 Ų92.680%0.850%0.499SS*.  trans-103.4134.3173.8-177.40000109.1
63C94.2Very high88.4Confident15 Ų1589.8 Ų89.810%0.10149%0.488CS..  trans-75.8133.4175.3-175.70000109.9S65 G66 C81 A83C63-S65 PolarHBondContact O-N 3.01Å; C63-S65 PolarHBondContact SG-N 3.03Å; C63-G66 WeakPolarHBondContact CB-O 3.45Å; C63-G66 PolarHBondContact O-N 3.12Å; C63-G66 VanDerWaalsContact O-N 3.12Å; C63-C81 VanDerWaalsContact SG-SG 3.6Å; C63-A83 HydrophobicContact CB-CB 3.92Å
64K82.8Confident88.4Confident205 Ų20586 Ų8689%0.89148%0.478SS*.THydrogen-bonded Turntrans-65.6-26.2176.9-67.6-172.7176.9-1740113G66K64-G66 PolarHBondContact O-N 3Å
65S83.4Confident88.3Confident83 Ų8392 Ų9258%0.5850%0.504SS*.THydrogen-bonded Turntrans-8312.4175-51.30000113.3C63C63-S65 PolarHBondContact O-N 3.01Å; C63-S65 PolarHBondContact SG-N 3.03Å
66G76.7Confident88.2Confident39 Ų3994.6 Ų94.640%0.40252%0.521SS..G310 helixtrans78.2-163.3-179.400000114.3C63 K64 Q68 G69C63-G66 WeakPolarHBondContact CB-O 3.45Å; C63-G66 PolarHBondContact O-N 3.12Å; C63-G66 VanDerWaalsContact O-N 3.12Å; K64-G66 PolarHBondContact O-N 3Å; G66-Q68 VanDerWaalsContact C-N 3.26Å; G66-Q68 PolarHBondContact O-N 3.17Å; G66-G69 PolarHBondContact O-N 3.42Å
67S65.5Low88.4Confident133 Ų13394.1 Ų94.193%0.9352%0.523SS*.G310 helixtrans-69.5-16.8-174.748.20000114.5G69S67-G69 VanDerWaalsContact C-N 3.27Å; S67-G69 PolarHBondContact O-N 3.04Å
68Q69.7Low88.6Confident182 Ų18288.1 Ų88.185%0.8550%0.5SS*.G310 helixtrans-69.2-24.3178.6-63.4-176.61.600112.7G66G66-Q68 VanDerWaalsContact C-N 3.26Å; G66-Q68 PolarHBondContact O-N 3.17Å
69G80Confident88.8Confident21 Ų2187 Ų8722%0.21649%0.494CS..  trans61.3-146.4176.400000113.1G66 S67G66-G69 PolarHBondContact O-N 3.42Å; S67-G69 VanDerWaalsContact C-N 3.27Å; S67-G69 PolarHBondContact O-N 3.04Å
70G85.9Confident88.8Confident75 Ų7587.2 Ų87.277%0.77350%0.5SS*.  trans88.13.6171.100000116.9
71C93.4Very high88.9Confident26 Ų2681.8 Ų81.818%0.17647%0.467CS..  trans-56.3136175.8-49.80000111.5V73 C81 C84C71-V73 PolarHBondContact O-N 3.47Å; C71-C81 HydrophobicContact CB-CB 3.64Å; C71-C84 HydrophobicContact CB-CB 3.94Å; C71-C84 VanDerWaalsContact SG-SG 3.62Å
72P93.7Very high89Confident76 Ų7686.4 Ų86.449%0.49448%0.484SS..  trans-61.6134.8-179.225-33.5000111.2
73V96.3Very high89.2Confident14 Ų1481 Ų819%0.08545%0.453CS..  trans-12286.6175.5-175.60000107.7V29 C30 C71 R78 C84 R85 K88V29-V73 HydrophobicContact CG1-CG1 3.99Å; V29-V73 WeakPolarHBondContact O-CG1 3.23Å; C30-V73 HydrophobicContact CB-CG1 4.3Å; C71-V73 PolarHBondContact O-N 3.47Å; V73-R78 HydrophobicContact CG1-CB 3.94Å; V73-C84 HydrophobicContact CG2-CB 4.37Å; V73-R85 HydrophobicContact CG1-CB 4.47Å; V73-R85 HydrophobicContact CG1-CG 4.07Å; V73-R85 HydrophobicContact CG2-CB 4.44Å; V73-K88 HydrophobicContact CB-CD 3.7Å; V73-K88 HydrophobicContact CG1-CD 4.06Å; V73-K88 HydrophobicContact CG2-CD 4.15Å; V73-K88 PolarHBondContact O-NZ 3.2Å
74D96Very high89.3Confident53 Ų5380.9 Ų80.928%0.28345%0.452SS..SBendtrans-120.3-176.9174.559.940.3000110.1C30 T76 H77 R78C30-D74 CarbonylContact O-C 3.26Å; C30-D74 VanDerWaalsContact O-C 3.26Å; C30-D74 WeakPolarHBondContact O-CA 3.39Å; D74-T76 VanDerWaalsContact C-N 3.28Å; D74-T76 PolarHBondContact O-N 2.94Å; D74-T76 PolarHBondContact OD1-N 3.35Å; D74-T76 PolarHBondContact OD1-OG1 2.97Å; D74-H77 VanDerWaalsContact CG-ND1 3.33Å; D74-H77 VanDerWaalsContact OD1-CB 3.28Å; D74-H77 WeakPolarHBondContact OD1-CB 3.29Å; D74-H77 IonicContact OD1-CG 3.91Å; D74-H77 PolarHBondContact OD1-N 3.41Å; D74-H77 IonicContact OD1-ND1 2.93Å; D74-H77 PolarHBondContact OD1-ND1 3.22Å; D74-H77 VanDerWaalsContact OD1-ND1 3.08Å; D74-H77 IonicContact OD2-CE1 3.42Å; D74-H77 IonicContact OD2-CG 2.64Å; D74-H77 IonicContact OD2-ND1 2.67Å; D74-H77 PolarHBondContact OD2-ND1 3.4Å; D74-R78 WeakPolarHBondContact O-CB 3.3Å; D74-R78 WeakPolarHBondContact O-CG 3.45Å; D74-R78 PolarHBondContact O-N 3.02Å
75K94.1Very high90.1Very high127 Ų12771.5 Ų71.555%0.55241%0.411SS*.THydrogen-bonded Turntrans-57.5-39.3-176.6-179.7173.8179.8155.60112.8C30 D32C30-K75 PolarHBondContact O-N 3.34Å; D32-K75 HydrophobicContact CB-CB 4.26Å; D32-K75 HydrophobicContact CB-CD 4.22Å; D32-K75 HydrophobicContact CB-CG 4.09Å; D32-K75 WeakPolarHBondContact OD1-CD 3.48Å; D32-K75 WeakPolarHBondContact OD1-CE 3.33Å; D32-K75 IonicContact OD1-NZ 3.38Å; D32-K75 PolarHBondContact OD1-NZ 3.24Å
76T95.2Very high90.7Very high102 Ų10268.5 Ų68.563%0.62639%0.389SS*.THydrogen-bonded Turntrans-87-37.2-173.6470000112.1D74D74-T76 VanDerWaalsContact C-N 3.28Å; D74-T76 PolarHBondContact O-N 2.94Å; D74-T76 PolarHBondContact OD1-N 3.35Å; D74-T76 PolarHBondContact OD1-OG1 2.97Å
77H92.9Very high91.7Very high71 Ų7172.6 Ų72.633%0.32940%0.396SS..THydrogen-bonded Turntrans-105.8-3.7-168.3-51.5121.8000114.1D74 N79 Q80D74-H77 VanDerWaalsContact CG-ND1 3.33Å; D74-H77 VanDerWaalsContact OD1-CB 3.28Å; D74-H77 WeakPolarHBondContact OD1-CB 3.29Å; D74-H77 IonicContact OD1-CG 3.91Å; D74-H77 PolarHBondContact OD1-N 3.41Å; D74-H77 IonicContact OD1-ND1 2.93Å; D74-H77 PolarHBondContact OD1-ND1 3.22Å; D74-H77 VanDerWaalsContact OD1-ND1 3.08Å; D74-H77 IonicContact OD2-CE1 3.42Å; D74-H77 IonicContact OD2-CG 2.64Å; D74-H77 IonicContact OD2-ND1 2.67Å; D74-H77 PolarHBondContact OD2-ND1 3.4Å; H77-N79 PolarHBondContact O-N 2.95Å; H77-Q80 HydrophobicContact CB-CG 4.37Å; H77-Q80 PolarHBondContact CD2-NE2 3.19Å; H77-Q80 WeakPolarHBondContact O-CB 3.25Å; H77-Q80 WeakPolarHBondContact O-CG 3.48Å; H77-Q80 PolarHBondContact O-N 2.77Å
78R95.3Very high93.2Very high42 Ų4269.6 Ų69.616%0.15837%0.366CS..THydrogen-bonded Turntrans-54.2-14.9177.462.7-171.6-169.1-161.7-3.3115.7C30 D32 C44 V73 D74 R85C30-R78 HydrophobicContact CB-CB 4.21Å; C30-R78 PolarHBondContact SG-NH1 3.46Å; D32-R78 IonicContact OD2-CZ 3.72Å; D32-R78 IonicContact OD2-NH1 2.64Å; D32-R78 PolarHBondContact OD2-NH1 3.4Å; D32-R78 IonicContact OD2-NH2 3.08Å; C44-R78 PolarHBondContact SG-NH1 3.44Å; V73-R78 HydrophobicContact CG1-CB 3.94Å; D74-R78 WeakPolarHBondContact O-CB 3.3Å; D74-R78 WeakPolarHBondContact O-CG 3.45Å; D74-R78 PolarHBondContact O-N 3.02Å; R78-R85 VanDerWaalsContact O-CD 3.22Å; R78-R85 WeakPolarHBondContact O-CD 3.31Å; R78-R85 PolarHBondContact O-NH1 3.45Å; R78-R85 VanDerWaalsContact O-NH1 3.15Å
79N95.3Very high94.5Very high117 Ų11761 Ų6163%0.62633%0.325SS*.THydrogen-bonded Turntrans-95.3-8.2178.3-67.8-29.6000114H77 R85H77-N79 PolarHBondContact O-N 2.95Å; N79-R85 PolarHBondContact OD1-NH1 3.09Å
80Q94.1Very high95.4Very high127 Ų12763.6 Ų63.659%0.59333%0.334SS*.THydrogen-bonded Turntrans-72.6-38.6-175.7-66.8179-3.900112.8H77H77-Q80 HydrophobicContact CB-CG 4.37Å; H77-Q80 PolarHBondContact CD2-NE2 3.19Å; H77-Q80 WeakPolarHBondContact O-CB 3.25Å; H77-Q80 WeakPolarHBondContact O-CG 3.48Å; H77-Q80 PolarHBondContact O-N 2.77Å
81C96.1Very high95.9Very high15 Ų1565.1 Ų65.110%0.10133%0.325CS..  trans-132.2107.5179-173.90000112C63 C71 A83 C84 R85C63-C81 VanDerWaalsContact SG-SG 3.6Å; C71-C81 HydrophobicContact CB-CB 3.64Å; C81-A83 VanDerWaalsContact C-N 3.34Å; C81-A83 PolarHBondContact O-N 3.29Å; C81-C84 HydrophobicContact CB-CB 4.23Å; C81-C84 PolarHBondContact SG-N 3.49Å; C81-C84 VanDerWaalsContact SG-SG 3.66Å; C81-R85 WeakPolarHBondContact O-CB 3.4Å; C81-R85 PolarHBondContact O-N 3.28Å; C81-R85 VanDerWaalsContact O-N 3.12Å
82R96.7Very high96.1Very high160 Ų16065.5 Ų65.560%0.60433%0.326SS*.Hα-helixtrans-68.3-32.6178.4-64.5178.1179.7159.4-0.3112.5F50 Y61 L86F50-R82 HydrophobicContact CE2-CB 4.17Å; F50-R82 HydrophobicContact CE2-CG 4.15Å; F50-R82 HydrophobicContact CZ-CB 4.24Å; F50-R82 WeakPolarHBondContact CZ-O 3.45Å; Y61-R82 HydrophobicContact CD1-CB 3.84Å; Y61-R82 HydrophobicContact CD2-CB 3.9Å; Y61-R82 HydrophobicContact CE1-CB 4.12Å; Y61-R82 HydrophobicContact CE2-CB 4.17Å; Y61-R82 HydrophobicContact CG-CB 3.73Å; R82-L86 WeakPolarHBondContact O-CB 3.49Å; R82-L86 PolarHBondContact O-N 3.48Å
83A96.6Very high96.2Very high18 Ų1868 Ų6815%0.14934%0.336CS..Hα-helixtrans-64-54.7177.800000111.6C63 C81 R85 L86 K87C63-A83 HydrophobicContact CB-CB 3.92Å; C81-A83 VanDerWaalsContact C-N 3.34Å; C81-A83 PolarHBondContact O-N 3.29Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.91Å; A83-L86 PolarHBondContact O-N 2.9Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.23Å
84C96.5Very high96.3Very high12 Ų1267.7 Ų67.78%0.08133%0.333CS..Hα-helixtrans-63.9-34.7177.9-65.30000112.4C71 V73 C81 K88C71-C84 HydrophobicContact CB-CB 3.94Å; C71-C84 VanDerWaalsContact SG-SG 3.62Å; V73-C84 HydrophobicContact CG2-CB 4.37Å; C81-C84 HydrophobicContact CB-CB 4.23Å; C81-C84 PolarHBondContact SG-N 3.49Å; C81-C84 VanDerWaalsContact SG-SG 3.66Å; C84-K88 WeakPolarHBondContact O-CB 3.37Å; C84-K88 PolarHBondContact O-N 2.75Å
85R97.8Very high96.2Very high8 Ų868.7 Ų68.73%0.0334%0.338CS..Hα-helixtrans-65.1-44.8174.6-168.3-169.3-166.6160.1-5.1112.5V29 G46 C47 F50 V73 R78 N79 C81 A83 K88 C89V29-R85 HydrophobicContact CG1-CG 4.49Å; G46-R85 PolarHBondContact O-NH2 2.97Å; C47-R85 PolarHBondContact SG-NH2 3.47Å; C47-R85 VanDerWaalsContact SG-NH2 3.45Å; F50-R85 VanDerWaalsContact CD1-CD 3.44Å; F50-R85 HydrophobicContact CD1-CG 3.85Å; F50-R85 HydrophobicContact CE1-CB 3.89Å; F50-R85 HydrophobicContact CE1-CG 3.67Å; F50-R85 HydrophobicContact CZ-CB 4.07Å; F50-R85 HydrophobicContact CZ-CG 4.23Å; V73-R85 HydrophobicContact CG1-CB 4.47Å; V73-R85 HydrophobicContact CG1-CG 4.07Å; V73-R85 HydrophobicContact CG2-CB 4.44Å; R78-R85 VanDerWaalsContact O-CD 3.22Å; R78-R85 WeakPolarHBondContact O-CD 3.31Å; R78-R85 PolarHBondContact O-NH1 3.45Å; R78-R85 VanDerWaalsContact O-NH1 3.15Å; N79-R85 PolarHBondContact OD1-NH1 3.09Å; C81-R85 WeakPolarHBondContact O-CB 3.4Å; C81-R85 PolarHBondContact O-N 3.28Å; C81-R85 VanDerWaalsContact O-N 3.12Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.91Å; R85-K88 PolarHBondContact O-N 3.28Å; R85-C89 PolarHBondContact O-N 3.25Å; R85-C89 PolarHBondContact O-SG 3.04Å; R85-C89 VanDerWaalsContact O-SG 3.33Å
86L97.5Very high96.2Very high21 Ų2168.2 Ų68.211%0.1134%0.336CS..Hα-helixtrans-68-41.9178.9-176.661000111.2F50 F51 I55 Y61 R82 A83 K88 C89 L90F50-L86 HydrophobicContact CE1-CB 3.84Å; F50-L86 HydrophobicContact CE1-CD1 4.24Å; F50-L86 HydrophobicContact CZ-CB 4Å; F51-L86 HydrophobicContact CD2-CD1 4.12Å; I55-L86 HydrophobicContact CD1-CD1 4.48Å; Y61-L86 HydrophobicContact CD2-CB 4.12Å; Y61-L86 HydrophobicContact CD2-CD2 3.78Å; Y61-L86 HydrophobicContact CE2-CB 4.36Å; Y61-L86 HydrophobicContact CE2-CD2 3.89Å; R82-L86 WeakPolarHBondContact O-CB 3.49Å; R82-L86 PolarHBondContact O-N 3.48Å; A83-L86 PolarHBondContact O-N 2.9Å; L86-K88 PolarHBondContact O-N 2.87Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 3.44Å; L86-L90 PolarHBondContact O-N 3.4Å
87K96.4Very high96Very high125 Ų12569.4 Ų69.454%0.54334%0.339SS..Hα-helixtrans-54.6-51.6172.2-173.6-178.8175.8179.60110.7A83 C89 L90 D91A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.23Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 3.37Å; K87-L90 WeakPolarHBondContact O-CA 3.36Å; K87-L90 WeakPolarHBondContact O-CB 3.45Å; K87-L90 PolarHBondContact O-N 2.7Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.01Å
88K97.5Very high95.8Very high70 Ų7068.1 Ų68.130%0.30434%0.34SS..Hα-helixtrans-62.2-33.6178.4-165.9173.3-176-175.20113.6V29 V73 C84 R85 L86 L90 D91 V92V29-K88 HydrophobicContact CG1-CG 4.49Å; V29-K88 VanDerWaalsContact O-CD 3.24Å; V29-K88 WeakPolarHBondContact O-CD 3.22Å; V29-K88 WeakPolarHBondContact O-CE 3.2Å; V29-K88 PolarHBondContact O-NZ 2.73Å; V73-K88 HydrophobicContact CB-CD 3.7Å; V73-K88 HydrophobicContact CG1-CD 4.06Å; V73-K88 HydrophobicContact CG2-CD 4.15Å; V73-K88 PolarHBondContact O-NZ 3.2Å; C84-K88 WeakPolarHBondContact O-CB 3.37Å; C84-K88 PolarHBondContact O-N 2.75Å; R85-K88 PolarHBondContact O-N 3.28Å; L86-K88 PolarHBondContact O-N 2.87Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 2.92Å; K88-D91 PolarHBondContact O-N 3.41Å; K88-V92 WeakPolarHBondContact O-CG1 3.45Å; K88-V92 WeakPolarHBondContact O-CG2 3.26Å; K88-V92 PolarHBondContact O-N 3.1Å; K88-V92 VanDerWaalsContact O-N 3.11Å
89C98Very high95.5Very high0 Ų066.8 Ų66.80%034%0.337CS..Hα-helixtrans-60.3-40.2171.9-73.10000112.1F51 R85 L86 K87 V92 M94F51-C89 HydrophobicContact CD2-CB 3.46Å; F51-C89 VanDerWaalsContact CD2-CB 3.46Å; F51-C89 HydrophobicContact CE2-CB 3.98Å; F51-C89 HydrophobicContact CG-CB 4.37Å; R85-C89 PolarHBondContact O-N 3.25Å; R85-C89 PolarHBondContact O-SG 3.04Å; R85-C89 VanDerWaalsContact O-SG 3.33Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 3.44Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 3.37Å; C89-V92 WeakPolarHBondContact O-CG2 3.45Å; C89-M94 HydrophobicContact CB-CG 4.47Å; C89-M94 HydrophobicContact CB-SD 3.8Å; C89-M94 VanDerWaalsContact O-CB 3.23Å; C89-M94 WeakPolarHBondContact O-CB 3.45Å; C89-M94 WeakPolarHBondContact O-CG 3.44Å; C89-M94 PolarHBondContact O-N 3.2Å
90L97.1Very high94.9Very high77 Ų7766.2 Ų66.240%0.40333%0.331SS..Hα-helixtrans-73.3-41.1177.2-63.3168.8000111.3F51 L86 K87 K88 V92 N93F51-L90 HydrophobicContact CE2-CD2 3.84Å; F51-L90 HydrophobicContact CE2-CG 4.43Å; F51-L90 HydrophobicContact CZ-CD2 4.27Å; L86-L90 PolarHBondContact O-N 3.4Å; K87-L90 WeakPolarHBondContact O-CA 3.36Å; K87-L90 WeakPolarHBondContact O-CB 3.45Å; K87-L90 PolarHBondContact O-N 2.7Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 2.92Å; L90-V92 PolarHBondContact O-N 3.41Å; L90-N93 WeakPolarHBondContact O-CA 3.23Å; L90-N93 PolarHBondContact O-N 3.35Å
91D96.9Very high93.5Very high106 Ų10668.6 Ų68.657%0.56734%0.341SS*.Hα-helixtrans-62.8-29.3179.1-61.4-20.8000112.7K87 K88 N93K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.01Å; K88-D91 PolarHBondContact O-N 3.41Å; D91-N93 PolarHBondContact O-N 3.45Å
92V97.3Very high91.8Very high34 Ų3473.3 Ų73.321%0.20636%0.362CS..THydrogen-bonded Turntrans-86.39.4172.9-55.80000113.3K28 V29 V41 K88 C89 L90 M94K28-V92 HydrophobicContact CB-CB 4.24Å; K28-V92 HydrophobicContact CB-CG1 4.18Å; K28-V92 HydrophobicContact CB-CG2 4.48Å; V29-V92 HydrophobicContact CG2-CG2 3.78Å; V41-V92 HydrophobicContact CG1-CB 4.49Å; V41-V92 HydrophobicContact CG1-CG2 4.19Å; V41-V92 WeakPolarHBondContact CG2-O 3.44Å; K88-V92 WeakPolarHBondContact O-CG1 3.45Å; K88-V92 WeakPolarHBondContact O-CG2 3.26Å; K88-V92 PolarHBondContact O-N 3.1Å; K88-V92 VanDerWaalsContact O-N 3.11Å; C89-V92 WeakPolarHBondContact O-CG2 3.45Å; L90-V92 PolarHBondContact O-N 3.41Å; V92-M94 HydrophobicContact CG2-CG 4.18Å
93N97Very high90.1Very high130 Ų13072.8 Ų72.870%0.69536%0.36SS*.THydrogen-bonded Turntrans64.539.5179-58.9-15.3000114.7V41 L90 D91 N95V41-N93 WeakPolarHBondContact CG2-O 3.47Å; L90-N93 WeakPolarHBondContact O-CA 3.23Å; L90-N93 PolarHBondContact O-N 3.35Å; D91-N93 PolarHBondContact O-N 3.45Å; N93-N95 PolarHBondContact O-N 3.34Å
94M97.8Very high88Confident6 Ų674.1 Ų74.13%0.0338%0.375CS..  trans-63.9121.7164-71.8-172.2163.600109.5V29 Y39 V41 A43 F51 C89 V92 K96V29-M94 HydrophobicContact CG2-CE 3.68Å; V29-M94 HydrophobicContact CG2-SD 4.29Å; Y39-M94 WeakPolarHBondContact O-CA 3.46Å; V41-M94 HydrophobicContact CB-CG 4.28Å; V41-M94 HydrophobicContact CG2-CG 4.11Å; A43-M94 HydrophobicContact CB-CE 3.25Å; F51-M94 HydrophobicContact CB-SD 3.83Å; F51-M94 HydrophobicContact CD1-CB 4.04Å; F51-M94 HydrophobicContact CD1-SD 4.15Å; F51-M94 HydrophobicContact CD2-CB 4.03Å; F51-M94 HydrophobicContact CD2-SD 3.98Å; F51-M94 HydrophobicContact CE1-CB 3.71Å; F51-M94 HydrophobicContact CE2-CB 3.68Å; F51-M94 HydrophobicContact CG-CB 4.18Å; F51-M94 HydrophobicContact CG-SD 3.72Å; F51-M94 HydrophobicContact CZ-CB 3.5Å; F51-M94 VanDerWaalsContact CZ-O 3.24Å; F51-M94 WeakPolarHBondContact CZ-O 3.48Å; C89-M94 HydrophobicContact CB-CG 4.47Å; C89-M94 HydrophobicContact CB-SD 3.8Å; C89-M94 VanDerWaalsContact O-CB 3.23Å; C89-M94 WeakPolarHBondContact O-CB 3.45Å; C89-M94 WeakPolarHBondContact O-CG 3.44Å; C89-M94 PolarHBondContact O-N 3.2Å; V92-M94 HydrophobicContact CG2-CG 4.18Å; M94-K96 PolarHBondContact O-N 3.23Å
95N95.1Very high85.3Confident74 Ų7476.3 Ų76.340%0.39639%0.389SS..  trans-73.3109.1-176.2-175.8-11.4000110.7Y39 N93 D97 A98Y39-N95 PolarHBondContact O-N 2.95Å; N93-N95 PolarHBondContact O-N 3.34Å; N95-D97 VanDerWaalsContact C-N 3.29Å; N95-D97 PolarHBondContact O-N 3.28Å; N95-D97 WeakPolarHBondContact OD1-CA 3.44Å; N95-D97 WeakPolarHBondContact OD1-CB 3.49Å; N95-D97 PolarHBondContact OD1-N 3.3Å; N95-A98 HydrophobicContact CB-CB 3.97Å; N95-A98 PolarHBondContact O-N 2.89Å; N95-A98 PolarHBondContact OD1-N 3.22Å
96K93.9Very high83.2Confident118 Ų11886 Ų8651%0.51343%0.426SS..SBendtrans-64.4-32.7176.869.7-179.6-175.1177.50112.4F51 I55 M94 A98 V99F51-K96 HydrophobicContact CZ-CB 4.19Å; I55-K96 HydrophobicContact CD1-CB 4.11Å; I55-K96 HydrophobicContact CG1-CB 4.32Å; I55-K96 HydrophobicContact CG2-CB 4.18Å; M94-K96 PolarHBondContact O-N 3.23Å; K96-A98 VanDerWaalsContact C-N 3.28Å; K96-A98 PolarHBondContact O-N 3.31Å; K96-V99 VanDerWaalsContact O-CB 3.25Å; K96-V99 WeakPolarHBondContact O-CB 3.42Å; K96-V99 WeakPolarHBondContact O-CG2 3.3Å; K96-V99 PolarHBondContact O-N 3.36Å; K96-V99 VanDerWaalsContact O-N 3.07Å
97D89.9Confident80.6Confident127 Ų12792 Ų9268%0.67946%0.464SS*.THydrogen-bonded Turntrans-76.2-21.5-177-51.1-47.6000111.4N95 V99N95-D97 VanDerWaalsContact C-N 3.29Å; N95-D97 PolarHBondContact O-N 3.28Å; N95-D97 WeakPolarHBondContact OD1-CA 3.44Å; N95-D97 WeakPolarHBondContact OD1-CB 3.49Å; N95-D97 PolarHBondContact OD1-N 3.3Å; D97-V99 PolarHBondContact O-N 3.47Å
98A89.1Confident78.2Confident43 Ų4387 Ų8736%0.35545%0.445SS..THydrogen-bonded Turntrans-71.6-11.2169.200000113Y39 N95 K96 Q100Y39-A98 HydrophobicContact CD1-CB 4.11Å; N95-A98 HydrophobicContact CB-CB 3.97Å; N95-A98 PolarHBondContact O-N 2.89Å; N95-A98 PolarHBondContact OD1-N 3.22Å; K96-A98 VanDerWaalsContact C-N 3.28Å; K96-A98 PolarHBondContact O-N 3.31Å; A98-Q100 PolarHBondContact O-N 2.95Å
99V88.8Confident75.7Confident15 Ų1588 Ų889%0.09146%0.456CS..SBendtrans-78.690.2174.3-175.10000108.8Y39 F51 K52 I55 R56 K96 D97Y39-V99 HydrophobicContact CD1-CG2 3.72Å; Y39-V99 HydrophobicContact CE1-CB 4.36Å; Y39-V99 HydrophobicContact CE1-CG2 3.64Å; Y39-V99 HydrophobicContact CG-CG2 4.45Å; F51-V99 HydrophobicContact CD1-CG2 3.92Å; F51-V99 HydrophobicContact CE1-CG2 3.66Å; K52-V99 HydrophobicContact CG-CG1 4.21Å; I55-V99 HydrophobicContact CB-CB 4.31Å; I55-V99 HydrophobicContact CB-CG1 4.26Å; I55-V99 HydrophobicContact CB-CG2 4.07Å; I55-V99 HydrophobicContact CG1-CG2 4.28Å; I55-V99 HydrophobicContact CG2-CB 3.92Å; I55-V99 HydrophobicContact CG2-CG1 4.19Å; I55-V99 HydrophobicContact CG2-CG2 4.05Å; R56-V99 HydrophobicContact CG-CG1 3.7Å; K96-V99 VanDerWaalsContact O-CB 3.25Å; K96-V99 WeakPolarHBondContact O-CB 3.42Å; K96-V99 WeakPolarHBondContact O-CG2 3.3Å; K96-V99 PolarHBondContact O-N 3.36Å; K96-V99 VanDerWaalsContact O-N 3.07Å; D97-V99 PolarHBondContact O-N 3.47Å
100Q82.6Confident73.3Confident105 Ų10593.3 Ų93.349%0.49148%0.484SS..  trans-59.8142.6174.9-65.2174.7-7.900111.2R56 A98R56-Q100 PolarHBondContact NE-O 3.2Å; R56-Q100 VanDerWaalsContact NE-O 3.09Å; R56-Q100 PolarHBondContact NH2-O 3.46Å; A98-Q100 PolarHBondContact O-N 2.95Å
101H65.7Low71Confident177 Ų177100 Ų10082%0.81950%0.504SS*.  trans-49150.7167-86.477.7000110.2R103H101-R103 PolarHBondContact O-N 3.41Å
102E60.3Low68.4Low113 Ų11398.5 Ų98.553%0.52849%0.492SS..  trans-45102.5-177.6-75.8-86.9130.500111.2R56 G104R56-E102 WeakPolarHBondContact CD-OE1 3.49Å; R56-E102 IonicContact CZ-OE1 3.58Å; R56-E102 IonicContact NE-OE1 3.25Å; R56-E102 IonicContact NH1-OE1 3.57Å; R56-E102 PolarHBondContact NH1-OE1 3.37Å; E102-G104 PolarHBondContact O-N 3.23Å
103R59.8Low66.1Low149 Ų149101 Ų10156%0.56250%0.502SS*.  trans-62.2124.6153.1-61.5-174.6-172-158.70.7105H101H101-R103 PolarHBondContact O-N 3.41Å
104G52.3Low63.9Low46 Ų4697.7 Ų97.747%0.47449%0.486SS..  trans-44.1143.517700000111E102 R106E102-G104 PolarHBondContact O-N 3.23Å; G104-R106 PolarHBondContact O-N 3.49Å
105P41.8Very low61.5Low58 Ų58100.2 Ų100.238%0.37751%0.508SS..  trans-53.9132.3-176.7-7.211.1000110.1T107 S108 K112P105-T107 PolarHBondContact O-N 2.99Å; P105-S108 VanDerWaalsContact C-OG 3.27Å; P105-S108 VanDerWaalsContact CA-OG 3.29Å; P105-S108 WeakPolarHBondContact CA-OG 3.5Å; P105-S108 WeakPolarHBondContact CB-OG 3.46Å; P105-S108 WeakPolarHBondContact CD-OG 3.42Å; P105-S108 WeakPolarHBondContact CG-OG 3.47Å; P105-S108 WeakPolarHBondContact O-CB 3.48Å; P105-S108 PolarHBondContact O-N 3.34Å; P105-S108 PolarHBondContact O-OG 3.1Å; P105-K112 HydrophobicContact CG-CD 3.9Å
106R52.1Low59.1Low213 Ų213102.7 Ų102.780%0.80452%0.52SS*.THydrogen-bonded Turntrans-73.713-168.5-119.4178.9-179.9129.2-3.6115.4G104G104-R106 PolarHBondContact O-N 3.49Å
107T44.4Very low56.8Low147 Ų147104.1 Ų104.190%0.90252%0.523SS*.THydrogen-bonded Turntrans-143.124.7170.348.80000110.7P105P105-T107 PolarHBondContact O-N 2.99Å
108S44Very low54.9Low20 Ų20105.2 Ų105.214%0.1452%0.523CS..  trans-131.513.3-17474.50000113.1P105 I110 R111 K112P105-S108 VanDerWaalsContact C-OG 3.27Å; P105-S108 VanDerWaalsContact CA-OG 3.29Å; P105-S108 WeakPolarHBondContact CA-OG 3.5Å; P105-S108 WeakPolarHBondContact CB-OG 3.46Å; P105-S108 WeakPolarHBondContact CD-OG 3.42Å; P105-S108 WeakPolarHBondContact CG-OG 3.47Å; P105-S108 WeakPolarHBondContact O-CB 3.48Å; P105-S108 PolarHBondContact O-N 3.34Å; P105-S108 PolarHBondContact O-OG 3.1Å; S108-I110 PolarHBondContact O-N 3.45Å; S108-R111 PolarHBondContact O-N 3.47Å; S108-K112 WeakPolarHBondContact O-CA 3.37Å; S108-K112 WeakPolarHBondContact O-CB 2.96Å; S108-K112 PolarHBondContact O-N 3.05Å
109T46.8Very low52.6Low90 Ų90114 Ų11455%0.55255%0.546SS*.Hα-helixtrans-55.3-44.9178.7-15.10000109.4Q113T109-Q113 WeakPolarHBondContact O-CB 3.24Å; T109-Q113 WeakPolarHBondContact O-CG 3.44Å; T109-Q113 PolarHBondContact O-N 3.28Å; T109-Q113 PolarHBondContact O-OE1 2.64Å
110I47Very low49.9Very low112 Ų112116.3 Ų116.357%0.57457%0.573SS**Hα-helixtrans-64.3-57.6175.8-64.8170.1000112.3S108 K112 V114S108-I110 PolarHBondContact O-N 3.45Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.36Å; I110-V114 WeakPolarHBondContact O-CB 3.37Å; I110-V114 WeakPolarHBondContact O-CG2 3.19Å; I110-V114 PolarHBondContact O-N 3.23Å
111R47.7Very low47.7Very low217 Ų217120.3 Ų120.382%0.81959%0.592SS**Hα-helixtrans-67.5-29.6-176.4-72.2-171.4-168.5-178.43.9113.9S108 A115S108-R111 PolarHBondContact O-N 3.47Å; R111-A115 WeakPolarHBondContact O-CB 3.33Å; R111-A115 PolarHBondContact O-N 2.94Å
112K43.4Very low46.2Very low74 Ų74121.6 Ų121.632%0.32260%0.595SS.*Hα-helixtrans-88.1-30-178-151172.5-176.3-173.60112.1P105 S108 I110 V114 L116P105-K112 HydrophobicContact CG-CD 3.9Å; S108-K112 WeakPolarHBondContact O-CA 3.37Å; S108-K112 WeakPolarHBondContact O-CB 2.96Å; S108-K112 PolarHBondContact O-N 3.05Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.36Å; K112-V114 VanDerWaalsContact C-N 3.35Å; K112-L116 WeakPolarHBondContact O-CB 3.44Å; K112-L116 WeakPolarHBondContact O-CD1 3.49Å; K112-L116 VanDerWaalsContact O-CG 3.29Å; K112-L116 WeakPolarHBondContact O-CG 3.45Å; K112-L116 PolarHBondContact O-N 3.41Å
113Q48.7Very low44.6Very low88 Ų88125.2 Ų125.241%0.41161%0.612SS.*Hα-helixtrans-66.2-39.4166.8-74.9171.6-50.200110.6T109 Y117 E198T109-Q113 WeakPolarHBondContact O-CB 3.24Å; T109-Q113 WeakPolarHBondContact O-CG 3.44Å; T109-Q113 PolarHBondContact O-N 3.28Å; T109-Q113 PolarHBondContact O-OE1 2.64Å; Q113-Y117 PolarHBondContact O-N 2.97Å; Q113-E198 PolarHBondContact NE2-OE1 3.17Å
114V50.2Low43.2Very low59 Ų59123.4 Ų123.436%0.35862%0.617SS.*Hα-helixtrans-64.9-43.6173.3174.30000111.7I110 K112 Y117 F118I110-V114 WeakPolarHBondContact O-CB 3.37Å; I110-V114 WeakPolarHBondContact O-CG2 3.19Å; I110-V114 PolarHBondContact O-N 3.23Å; K112-V114 VanDerWaalsContact C-N 3.35Å; V114-Y117 VanDerWaalsContact O-CB 3.22Å; V114-Y117 WeakPolarHBondContact O-CB 3.29Å; V114-Y117 PolarHBondContact O-N 3.3Å; V114-F118 HydrophobicContact CG1-CE2 4.09Å; V114-F118 WeakPolarHBondContact O-CD2 3.45Å
115A48.4Very low42Very low60 Ų60129 Ų12950%0.49664%0.636SS.*Hα-helixtrans-72.7-31.2179.900000114.5R111 Y117 F118R111-A115 WeakPolarHBondContact O-CB 3.33Å; R111-A115 PolarHBondContact O-N 2.94Å; A115-Y117 VanDerWaalsContact C-N 3.27Å; A115-F118 PolarHBondContact O-N 3.28Å
116L44Very low41.1Very low126 Ų126129.2 Ų129.266%0.6665%0.649SS**Hα-helixtrans-69.7-26.3173.9-77.4166.1000112K112 F118K112-L116 WeakPolarHBondContact O-CB 3.44Å; K112-L116 WeakPolarHBondContact O-CD1 3.49Å; K112-L116 VanDerWaalsContact O-CG 3.29Å; K112-L116 WeakPolarHBondContact O-CG 3.45Å; K112-L116 PolarHBondContact O-N 3.41Å; L116-F118 PolarHBondContact O-N 2.9Å
117Y46.5Very low39.9Very low147 Ų147124.6 Ų124.658%0.57665%0.649SS**THydrogen-bonded Turntrans-62-20.3172.6-144.7-93.6000113.3Q113 V114 A115Q113-Y117 PolarHBondContact O-N 2.97Å; V114-Y117 VanDerWaalsContact O-CB 3.22Å; V114-Y117 WeakPolarHBondContact O-CB 3.29Å; V114-Y117 PolarHBondContact O-N 3.3Å; A115-Y117 VanDerWaalsContact C-N 3.27Å
118F48.7Very low39.1Very low151 Ų151122.7 Ų122.766%0.66264%0.642SS**THydrogen-bonded Turntrans-102.17.9-175.8-71.1-71.8000115.6V114 A115 L116V114-F118 HydrophobicContact CG1-CE2 4.09Å; V114-F118 WeakPolarHBondContact O-CD2 3.45Å; A115-F118 PolarHBondContact O-N 3.28Å; L116-F118 PolarHBondContact O-N 2.9Å
119R40.7Very low38.3Very low227 Ų227128.9 Ų128.986%0.85768%0.679SS**SBendtrans-92.86.9179.1-145175.4-162.4-161.60.7115.2
120G33.9Very low37.3Very low63 Ų63132.4 Ų132.465%0.64969%0.689SS**SBendtrans-94.85.6-172.100000117.8
121H35.8Very low36.2Very low190 Ų190136 Ų13688%0.8870%0.701SS**  trans-141.787.9173-84.6-77.6000111.4
122K33.6Very low35.9Very low204 Ų204131.3 Ų131.389%0.88770%0.698SS**  trans-149.289.3155.1-126.7-176.6-175.7-177.60110.7
123E27.2Very low35Very low189 Ų189131 Ų13188%0.88372%0.716SS**  trans-131155.9148.9-64.9-154.6159.500106.8
124V29.6Very low33.9Very low111 Ų111133 Ų13367%0.67374%0.74SS**  cis-168.5150-32.1147.90000102.8
125N26.6Very low32.7Very low162 Ų162134.9 Ų134.987%0.86676%0.756SS**  trans75.7138175.9-63-16.6000116.5
126G24.6Very low31.6Very low64 Ų64139.9 Ų139.966%0.6677%0.773SS**  cis139.1120.212.200000108.8
127S26.1Very low31.1Very low116 Ų116139.6 Ų139.681%0.81178%0.779SS**  trans59.4107.5158.747.70000121.8
128S28.6Very low30.4Very low106 Ų106136 Ų13674%0.74179%0.787SS**  trans23.8132.8130.959.30000122.3
129T25.8Very low29.7Very low150 Ų150134.9 Ų134.992%0.9280%0.795SS**  -169.1159.7115.229.30000112.9
130H25.3Very low29.8Very low165 Ų165128.6 Ų128.676%0.76478%0.783SS**  trans-78.1168.9-165.2-114.7-99.8000118.1
131F23.9Very low29.3Very low186 Ų186134.2 Ų134.282%0.81679%0.79SS**  trans115151.1145.6-75.3-59.2000120
132P41.8Very low28.9Very low119 Ų119133.7 Ų133.777%0.77379%0.786SS**  trans-127.7172.1-141.529.8-4.7000115.3
133G25.1Very low28.6Very low68 Ų68129.7 Ų129.770%0.70178%0.779SS**  trans110.9141.4138.800000120.4
134S25.2Very low28.6Very low129 Ų129125.7 Ų125.790%0.90277%0.767SS**  trans87.5166.114775.80000120.9
135S24.9Very low28.4Very low99 Ų99127.3 Ų127.369%0.69278%0.777SS**  trans-135.2147.1-131.146.70000114
136L26.1Very low28.5Very low165 Ų165125.2 Ų125.286%0.86477%0.77SS**  trans61.9167.2153.2-72158.5000119.2
137P33.5Very low28.5Very low121 Ų121130.6 Ų130.679%0.78678%0.778SS**  cis-129.2-175.8-17.827.3-2.8000114.8
138G30.7Very low28.4Very low72 Ų72133.7 Ų133.774%0.74278%0.784SS**  trans-68.7-154-175.100000117.6
139P34.8Very low28.2Very low127 Ų127137.3 Ų137.383%0.82579%0.79SS**  cis-142.3-135.515.132.8-3.9000114.3
140P42.3Very low28.7Very low95 Ų95134.4 Ų134.462%0.61777%0.773SS**  -114.9-168.5-92.137.1-17.2000114.1
141F24.8Very low28.7Very low181 Ų181135.3 Ų135.379%0.79478%0.778SS**  trans137.8130.4158-76.5-62.5000110.7
142F26.6Very low28.8Very low179 Ų179133 Ų13379%0.78577%0.773SS**  cis-148.4144.513.9-125.6-81.9000111.1
143T27.4Very low28Very low120 Ų120135.7 Ų135.774%0.73678%0.781SS**  trans-67.3160.9160.7-21.60000109.5
144T26.3Very low27.9Very low104 Ų104141.4 Ų141.464%0.63879%0.789SS**  169.5138.583.1-39.60000107.1
145V26.9Very low27.9Very low145 Ų145143.9 Ų143.988%0.87979%0.788SS**  -157.9126117.6172.70000106.5
146T27.4Very low27.9Very low118 Ų118144.3 Ų144.372%0.72479%0.792SS**  trans-125.5151.5168.2-23.50000108.8
147Q24.6Very low28Very low178 Ų178142.9 Ų142.983%0.83279%0.79SS**  trans103.8107.4156.4-59.4-162.8-2600118.5
148L24Very low27.6Very low180 Ų180143.9 Ų143.994%0.94279%0.793SS**  -159.3158.695.7-90.4162.7000110
149E24.4Very low27.4Very low183 Ų183144.9 Ų144.986%0.85580%0.795SS**  trans-108.2-167.6-147.3-134.3-161.2-170.500114
150P37.3Very low27Very low88 Ų88143.9 Ų143.957%0.57179%0.791SS**  -114.9169.8-122.441.2-24.7000115.9
151H24.3Very low26.4Very low185 Ų185143.8 Ų143.886%0.85679%0.789SS**  trans-147.9104.3152-104.1-66.3000112.6
152N25.7Very low26.6Very low136 Ų136141.1 Ų141.173%0.72779%0.79SS**  trans17.9114.1150.4-59.8-22.6000120.3
153L26.6Very low26.7Very low177 Ų177139.7 Ų139.793%0.92779%0.785SS**  -163.6116.2116.7-106.7138.6000109.5
154E23.1Very low26.9Very low187 Ų187144.2 Ų144.287%0.87479%0.789SS**  trans-64.9134.8177.2-68.3175130.100111.5
155M24.1Very low27.2Very low181 Ų181147.7 Ų147.789%0.89280%0.798SS**  trans-153.5103.9140.2-159.575.573.800110.4
156S24.4Very low27.6Very low109 Ų109143.8 Ų143.876%0.76278%0.781SS**  trans36.7124.4150.7-131.70000121.7
157T28.4Very low28.2Very low134 Ų134143 Ų14382%0.82277%0.771SS**  trans-47.8127.3171.650.70000115.6
158V26.6Very low29Very low142 Ų142138.6 Ų138.686%0.86176%0.756SS**  trans-131.1126.6148.8-171.70000108.1
159A26.1Very low29.8Very low93 Ų93131.5 Ų131.577%0.76973%0.727SS**  trans-58146.5-170.300000113.7T161A159-T161 PolarHBondContact O-N 3.49Å
160S26.5Very low30.9Very low106 Ų106124.3 Ų124.374%0.74169%0.694SS**  trans-58117.7174.745.40000113.9
161T28.6Very low31.3Very low94 Ų94122.6 Ų122.658%0.57769%0.688SS**  trans43138.1132.558.50000121.6A159 E163A159-T161 PolarHBondContact O-N 3.49Å; T161-E163 HydrophobicContact CG2-CB 4.48Å
162P29Very low32.3Very low125 Ų125120.8 Ų120.881%0.81268%0.679SS**SBendtrans-116.822.8130.936.3-26.7000113.4
163E30.1Very low32.9Very low149 Ų149119.1 Ų119.170%0.69668%0.676SS**G310 helixtrans-79.3-16.3-172.8-76.7176.3146.700115.6T161 Q165 A166T161-E163 HydrophobicContact CG2-CB 4.48Å; E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 3.15Å; E163-A166 PolarHBondContact O-N 3.42Å
164R29.7Very low33.6Very low214 Ų214112.8 Ų112.881%0.80865%0.645SS**G310 helixtrans-77.3-8.3-171.6-138.9176.5-172.5-179.62.2115I167R164-I167 HydrophobicContact CG-CD1 4.25Å
165Q32.9Very low34.2Very low177 Ų177106.2 Ų106.283%0.82762%0.618SS**G310 helixtrans-89.6-18.5177.4-74.6179.7-12.700113.5E163E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 3.15Å
166A36.1Very low34.7Very low64 Ų64105.3 Ų105.353%0.52961%0.609SS.*G310 helixtrans-75.3-27.3178.900000113E163 V168 G169E163-A166 PolarHBondContact O-N 3.42Å; A166-V168 PolarHBondContact O-N 2.96Å; A166-V168 VanDerWaalsContact O-N 3.1Å; A166-G169 PolarHBondContact O-N 3.4Å
167I40.2Very low35.4Very low100 Ų100102 Ų10251%0.51358%0.581SS.*G310 helixtrans-64-20.2-173.1-56.9175000112.6R164R164-I167 HydrophobicContact CG-CD1 4.25Å
168V40.5Very low35.8Very low86 Ų8699.5 Ų99.552%0.52157%0.566SS.*G310 helixtrans-93.9-15.2179.1-176.40000112A166 Q172A166-V168 PolarHBondContact O-N 2.96Å; A166-V168 VanDerWaalsContact O-N 3.1Å; V168-Q172 HydrophobicContact CG1-CG 3.66Å; V168-Q172 VanDerWaalsContact O-CG 3.22Å; V168-Q172 WeakPolarHBondContact O-CG 3.09Å
169G40.6Very low36.5Very low32 Ų3297.5 Ų97.533%0.3355%0.547SS..THydrogen-bonded Turntrans-85.7-21.7-16900000116.1A166 P215A166-G169 PolarHBondContact O-N 3.4Å; G169-P215 VanDerWaalsContact O-CD 3.29Å; G169-P215 WeakPolarHBondContact O-CD 3.46Å; G169-P215 WeakPolarHBondContact O-CG 3.35Å
170L47.3Very low36.9Very low32 Ų3297.9 Ų97.917%0.16853%0.533CS..SBendtrans-80.3-16.8178.5-75.2165.1000113.2V214 A216 E332L170-V214 HydrophobicContact CD2-CG1 4.24Å; L170-A216 HydrophobicContact CD2-CB 3.71Å; L170-E332 HydrophobicContact CD1-CB 4.33Å; L170-E332 HydrophobicContact CD1-CG 3.51Å
171A47.6Very low37.6Very low52 Ų5298.1 Ų98.143%0.4353%0.53SS..SBendtrans-136.620.4-163.900000116
172Q43.9Very low37.8Very low146 Ų14697.5 Ų97.568%0.68253%0.529SS*.SBendtrans-113.3141.5175.3-74.3-92.2-31.200112.1V168V168-Q172 HydrophobicContact CG1-CG 3.66Å; V168-Q172 VanDerWaalsContact O-CG 3.22Å; V168-Q172 WeakPolarHBondContact O-CG 3.09Å
173P39.4Very low38Very low102 Ų10296 Ų9666%0.66254%0.537SS*.PPolyproline II helix-69.8152-94.534.2-28.8000112.8
174T41.3Very low38Very low44 Ų4493.7 Ų93.727%0.2753%0.533SS..PPolyproline II helixtrans-50.1142.4161.242.20000109.9K176T174-K176 PolarHBondContact O-N 3.46Å
175P35.3Very low38.2Very low48 Ų4888.2 Ų88.231%0.31253%0.526SS..PPolyproline II helixtrans-50.5120.5170-22.330.4000108.9Y177P175-Y177 WeakPolarHBondContact O-CD2 3.43Å; P175-Y177 WeakPolarHBondContact O-CE2 3.25Å; P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.12Å
176K33.4Very low38.3Very low163 Ų16384 Ų8471%0.70951%0.507SS*.PPolyproline II helixtrans-61.4117.8174-71.2-174178.8-178.50107.7T174T174-K176 PolarHBondContact O-N 3.46Å
177Y40.7Very low38.6Very low40 Ų4089.6 Ų89.616%0.15752%0.516CS..PPolyproline II helixtrans-72.4153171.8-71.4-100.9000108.6P175 H179 E180 M206 W244P175-Y177 WeakPolarHBondContact O-CD2 3.43Å; P175-Y177 WeakPolarHBondContact O-CE2 3.25Å; P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.12Å; Y177-H179 PolarHBondContact O-N 3Å; Y177-E180 PolarHBondContact O-N 3.28Å; Y177-M206 HydrophobicContact CD1-SD 4.32Å; Y177-M206 HydrophobicContact CE1-CB 4.18Å; Y177-M206 HydrophobicContact CE1-CG 3.72Å; Y177-M206 HydrophobicContact CE1-SD 3.44Å; Y177-M206 WeakPolarHBondContact CE1-SD 3.27Å; Y177-M206 WeakPolarHBondContact OH-CB 3.27Å; Y177-W244 HydrophobicContact CD1-CH2 4.13Å; Y177-W244 HydrophobicContact CD1-CZ2 4.22Å; Y177-W244 AromaticContact CD2-CH2 3.36Å; Y177-W244 HydrophobicContact CD2-CH2 3.36Å; Y177-W244 AromaticContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CD2-CZ2 3.5Å; Y177-W244 VanDerWaalsContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CE1-CH2 4.42Å; Y177-W244 HydrophobicContact CE1-CZ2 4.04Å; Y177-W244 AromaticContact CE2-CH2 3.75Å; Y177-W244 HydrophobicContact CE2-CH2 3.75Å; Y177-W244 AromaticContact CE2-CZ2 3.33Å; Y177-W244 HydrophobicContact CE2-CZ2 3.33Å; Y177-W244 AromaticContact CG-CH2 3.58Å; Y177-W244 HydrophobicContact CG-CH2 3.58Å; Y177-W244 AromaticContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ3 4.39Å; Y177-W244 AromaticContact CZ-CZ2 3.61Å
178P37Very low38.5Very low80 Ų8092.5 Ų92.552%0.51953%0.531SS..G310 helixtrans-51.1-26-179.1-27.334000114.8
179H40.5Very low38.2Very low100 Ų10097 Ų9746%0.46354%0.54SS..G310 helixtrans-80.5-9.4-179.9-54.3-74.4000115.2Y177 E190Y177-H179 PolarHBondContact O-N 3Å; H179-E190 IonicContact CE1-OE2 2.74Å; H179-E190 PolarHBondContact CE1-OE2 3.06Å; H179-E190 IonicContact ND1-OE2 3.63Å
180E34.9Very low37.8Very low102 Ų102100 Ų10048%0.47755%0.545SS..G310 helixtrans-89-5.1177.9-72.1-176.4161.800113.4Y177Y177-E180 PolarHBondContact O-N 3.28Å
181V41.7Very low37.5Very low111 Ų111102 Ų10267%0.67356%0.559SS**SBendtrans-86.6-10.9-175.8-169.30000112.4
182S31.8Very low37Very low80 Ų80103.4 Ų103.456%0.55957%0.571SS**SBendtrans-143.3107.7179.9-620000108.4T184S182-T184 PolarHBondContact O-N 3.21Å
183G33.3Very low36.9Very low95 Ų95102.3 Ų102.398%0.97957%0.574SS**  trans-63.549.2-174.700000115.8
184T29.3Very low37.7Very low99 Ų9999.9 Ų99.961%0.60755%0.554SS**SBendtrans-120.3126.6176.9-210000107S182 M186S182-T184 PolarHBondContact O-N 3.21Å; T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 PolarHBondContact O-N 3.15Å
185P35.4Very low39.3Very low100 Ų100100.8 Ų100.865%0.64956%0.562SS**  trans-70.384.417926-29.8000110.4Y187P185-Y187 HydrophobicContact CB-CD2 3.44Å; P185-Y187 VanDerWaalsContact CB-CD2 3.44Å; P185-Y187 HydrophobicContact CB-CE2 3.7Å; P185-Y187 PolarHBondContact O-N 3.36Å; P185-Y187 VanDerWaalsContact O-N 3.08Å
186M34Very low41.6Very low88 Ų8899.3 Ų99.343%0.43355%0.552SS.*  trans-74.126.9168.3-100.2-73.5-113.800111.8T184 L188 Y189 E190T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 PolarHBondContact O-N 3.15Å; M186-L188 PolarHBondContact O-N 3.2Å; M186-Y189 HydrophobicContact CE-CD1 4.35Å; M186-Y189 HydrophobicContact SD-CD1 4.49Å; M186-E190 HydrophobicContact CE-CG 4.39Å
187Y41.7Very low44.1Very low182 Ų18291.8 Ų91.871%0.71452%0.52SS*.THydrogen-bonded Turntrans-72.2-11.8-175-63.1-72.7000113.7P185P185-Y187 HydrophobicContact CB-CD2 3.44Å; P185-Y187 VanDerWaalsContact CB-CD2 3.44Å; P185-Y187 HydrophobicContact CB-CE2 3.7Å; P185-Y187 PolarHBondContact O-N 3.36Å; P185-Y187 VanDerWaalsContact O-N 3.08Å
188L39.8Very low46.2Very low160 Ų16092 Ų9284%0.83852%0.522SS*.THydrogen-bonded Turntrans-108.9-21-172.8-93.4146.5000114.9M186M186-L188 PolarHBondContact O-N 3.2Å
189Y32.6Very low48.5Very low182 Ų18289.2 Ų89.271%0.71451%0.505SS*.THydrogen-bonded Turntrans-98.6-32.1-168.8-164.1-104.4000114.5M186M186-Y189 HydrophobicContact CE-CD1 4.35Å; M186-Y189 HydrophobicContact SD-CD1 4.49Å
190E32.8Very low50.9Low94 Ų9484.5 Ų84.544%0.43948%0.483SS..SBendtrans-94.8-24.7-178.9-88.5176.3132.900114.8H179 M186 A192 T193H179-E190 IonicContact CE1-OE2 2.74Å; H179-E190 PolarHBondContact CE1-OE2 3.06Å; H179-E190 IonicContact ND1-OE2 3.63Å; M186-E190 HydrophobicContact CE-CG 4.39Å; E190-A192 PolarHBondContact O-N 3.08Å; E190-T193 PolarHBondContact O-OG1 3.48Å
191V40.7Very low53.4Low73 Ų7381.2 Ų81.244%0.44247%0.474SS..THydrogen-bonded Turntrans-68-24.8170.7-178.30000111T193 P247V191-T193 PolarHBondContact O-N 3.48Å; V191-P247 HydrophobicContact CG1-CG 4.41Å
192A38.5Very low55.6Low83 Ų8380.5 Ų80.569%0.68646%0.459SS*.THydrogen-bonded Turntrans-68.2-16.7-177.500000114.2E190E190-A192 PolarHBondContact O-N 3.08Å
193T41.1Very low58.5Low122 Ų12277.2 Ų77.275%0.74844%0.435SS*.THydrogen-bonded Turntrans-109.8-17.4-17955.40000114.8E190 V191E190-T193 PolarHBondContact O-OG1 3.48Å; V191-T193 PolarHBondContact O-N 3.48Å
194E55.3Low61.2Low51 Ų5172.9 Ų72.924%0.23839%0.389CS..SBendtrans-95133.6177.7-66.8-171.7-179.500110.5R202E194-R202 VanDerWaalsContact CD-CZ 3.43Å; E194-R202 IonicContact OE1-CZ 3.53Å; E194-R202 IonicContact OE1-NE 3.51Å; E194-R202 IonicContact OE1-NH1 2.7Å; E194-R202 PolarHBondContact OE1-NH1 2.74Å; E194-R202 IonicContact OE1-NH2 2.84Å; E194-R202 PolarHBondContact OE1-NH2 3.21Å; E194-R202 IonicContact OE2-CZ 3.76Å; E194-R202 VanDerWaalsContact OE2-CZ 3.24Å; E194-R202 IonicContact OE2-NE 3.51Å; E194-R202 IonicContact OE2-NH1 2.81Å; E194-R202 PolarHBondContact OE2-NH1 3.13Å; E194-R202 IonicContact OE2-NH2 3.88Å
195S76.3Confident64.1Low63 Ų6370.8 Ų70.844%0.44137%0.372SS..  trans-64.1147.6174.569.70000110.6C197 E198 S199S195-C197 PolarHBondContact O-N 3.11Å; S195-C197 VanDerWaalsContact O-N 3.08Å; S195-E198 WeakPolarHBondContact O-CA 3.44Å; S195-E198 WeakPolarHBondContact O-CB 3.17Å; S195-E198 PolarHBondContact O-N 3.38Å; S195-E198 PolarHBondContact OG-N 2.56Å; S195-S199 PolarHBondContact O-N 3.44Å
196V83.6Confident66.6Low17 Ų1768.1 Ų68.110%0.10335%0.351CS..Hα-helixtrans-52.9-34.9176.9178.90000112.1E198 S199 A200 I246 T252 L253 V256 F374V196-E198 VanDerWaalsContact C-N 3.34Å; V196-E198 PolarHBondContact O-N 3.06Å; V196-S199 PolarHBondContact O-N 2.92Å; V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.36Å; V196-I246 HydrophobicContact CG1-CG2 4.12Å; V196-T252 HydrophobicContact CG2-CG2 3.95Å; V196-L253 HydrophobicContact CG1-CD2 3.81Å; V196-V256 HydrophobicContact CB-CG1 4.23Å; V196-V256 HydrophobicContact CG2-CG2 4.32Å; V196-F374 HydrophobicContact CG1-CD1 4.05Å; V196-F374 HydrophobicContact CG1-CE1 3.89Å
197C85Confident69.3Low5 Ų564.2 Ų64.23%0.03433%0.332CS..Hα-helixtrans-63.1-35.6174.3-65.40000113.5S195 A201 V256 F374S195-C197 PolarHBondContact O-N 3.11Å; S195-C197 VanDerWaalsContact O-N 3.08Å; C197-A201 WeakPolarHBondContact O-CB 3.46Å; C197-A201 PolarHBondContact O-N 2.94Å; C197-V256 VanDerWaalsContact SG-CG1 3.51Å; C197-F374 WeakPolarHBondContact CA-O 3.3Å; C197-F374 WeakPolarHBondContact CB-O 3.35Å; C197-F374 PolarHBondContact SG-O 2.97Å
198E84.4Confident71.7Confident44 Ų4455.7 Ų55.721%0.20630%0.299CS..Hα-helixtrans-70.9-45.5176.8-178.3169-17400110.8Q113 S195 V196 A200 A201 R202Q113-E198 PolarHBondContact NE2-OE1 3.17Å; S195-E198 WeakPolarHBondContact O-CA 3.44Å; S195-E198 WeakPolarHBondContact O-CB 3.17Å; S195-E198 PolarHBondContact O-N 3.38Å; S195-E198 PolarHBondContact OG-N 2.56Å; V196-E198 VanDerWaalsContact C-N 3.34Å; V196-E198 PolarHBondContact O-N 3.06Å; E198-A200 VanDerWaalsContact C-N 3.28Å; E198-A200 PolarHBondContact O-N 2.81Å; E198-A201 PolarHBondContact O-N 2.82Å; E198-R202 WeakPolarHBondContact O-CG 3.39Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-R202 IonicContact OE1-CZ 3.15Å; E198-R202 IonicContact OE1-NE 2.95Å; E198-R202 IonicContact OE1-NH2 3.79Å; E198-R202 PolarHBondContact OE1-NH2 3.46Å
199S86.2Confident74Confident23 Ų2352.8 Ų52.816%0.16128%0.28CS..Hα-helixtrans-60-40174.8-49.90000111.5S195 V196 R202 L203S195-S199 PolarHBondContact O-N 3.44Å; V196-S199 PolarHBondContact O-N 2.92Å; S199-R202 PolarHBondContact O-N 3.25Å; S199-L203 VanDerWaalsContact O-CB 3.27Å; S199-L203 WeakPolarHBondContact O-CB 3.14Å; S199-L203 PolarHBondContact O-N 3.29Å
200A89.8Confident76.8Confident0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-62.9-44.9174.500000113V196 E198 R202 L203 L204 F237 F374 F375V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.36Å; E198-A200 VanDerWaalsContact C-N 3.28Å; E198-A200 PolarHBondContact O-N 2.81Å; A200-R202 PolarHBondContact O-N 3.46Å; A200-L203 PolarHBondContact O-N 2.89Å; A200-L204 PolarHBondContact O-N 3.21Å; A200-F237 HydrophobicContact CB-CE2 3.96Å; A200-F237 HydrophobicContact CB-CZ 3.72Å; A200-F237 WeakPolarHBondContact O-CE2 3.37Å; A200-F374 HydrophobicContact CB-CB 3.83Å; A200-F374 HydrophobicContact CB-CD1 3.8Å; A200-F374 HydrophobicContact CB-CG 4.18Å; A200-F375 HydrophobicContact CB-CE1 4.28Å; A200-F375 HydrophobicContact CB-CZ 4.14Å
201A89.1Confident79.7Confident34 Ų3440.5 Ų40.528%0.28123%0.229SC..Hα-helixtrans-61.4-44.1176.300000112.2C197 E198 L204 F205C197-A201 WeakPolarHBondContact O-CB 3.46Å; C197-A201 PolarHBondContact O-N 2.94Å; E198-A201 PolarHBondContact O-N 2.82Å; A201-L204 PolarHBondContact O-N 2.95Å; A201-F205 PolarHBondContact O-N 3.26Å; A201-F205 VanDerWaalsContact O-N 3.12Å
202R87.7Confident82Confident95 Ų9538.9 Ų38.936%0.35822%0.215SC..Hα-helixtrans-62-45174.9-72-177.5-177.9-168.412.6111.4E194 E198 S199 A200 L204 F205 M206E194-R202 VanDerWaalsContact CD-CZ 3.43Å; E194-R202 IonicContact OE1-CZ 3.53Å; E194-R202 IonicContact OE1-NE 3.51Å; E194-R202 IonicContact OE1-NH1 2.7Å; E194-R202 PolarHBondContact OE1-NH1 2.74Å; E194-R202 IonicContact OE1-NH2 2.84Å; E194-R202 PolarHBondContact OE1-NH2 3.21Å; E194-R202 IonicContact OE2-CZ 3.76Å; E194-R202 VanDerWaalsContact OE2-CZ 3.24Å; E194-R202 IonicContact OE2-NE 3.51Å; E194-R202 IonicContact OE2-NH1 2.81Å; E194-R202 PolarHBondContact OE2-NH1 3.13Å; E194-R202 IonicContact OE2-NH2 3.88Å; E198-R202 WeakPolarHBondContact O-CG 3.39Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-R202 IonicContact OE1-CZ 3.15Å; E198-R202 IonicContact OE1-NE 2.95Å; E198-R202 IonicContact OE1-NH2 3.79Å; E198-R202 PolarHBondContact OE1-NH2 3.46Å; S199-R202 PolarHBondContact O-N 3.25Å; A200-R202 PolarHBondContact O-N 3.46Å; R202-L204 PolarHBondContact O-N 2.96Å; R202-F205 PolarHBondContact O-N 3.27Å; R202-M206 WeakPolarHBondContact O-CB 3.34Å; R202-M206 WeakPolarHBondContact O-CG 3.5Å; R202-M206 PolarHBondContact O-N 3.44Å
203L91.2Very high84.5Confident11 Ų1137.7 Ų37.76%0.05820%0.202CC..Hα-helixtrans-59.5-46.8179.3-179.864.1000111.7S199 A200 F205 M206 S207 F237 G240 I241 W244 I246S199-L203 VanDerWaalsContact O-CB 3.27Å; S199-L203 WeakPolarHBondContact O-CB 3.14Å; S199-L203 PolarHBondContact O-N 3.29Å; A200-L203 PolarHBondContact O-N 2.89Å; L203-F205 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 2.81Å; L203-M206 PolarHBondContact O-N 3.36Å; L203-S207 PolarHBondContact O-N 2.87Å; L203-S207 PolarHBondContact O-OG 3.44Å; L203-F237 HydrophobicContact CB-CE2 4.36Å; L203-F237 HydrophobicContact CD2-CD2 3.97Å; L203-F237 HydrophobicContact CD2-CE2 3.9Å; L203-F237 HydrophobicContact CG-CD2 4.31Å; L203-F237 HydrophobicContact CG-CE2 4.37Å; L203-G240 VanDerWaalsContact CD2-C 3.4Å; L203-I241 HydrophobicContact CD2-CG1 3.86Å; L203-W244 HydrophobicContact CD1-CG 4.3Å; L203-I246 HydrophobicContact CB-CD1 4.2Å; L203-I246 HydrophobicContact CD2-CD1 3.56Å; L203-I246 HydrophobicContact CG-CD1 4.43Å
204L91.6Very high86.9Confident4 Ų432.2 Ų32.22%0.02117%0.169CC..Hα-helixtrans-59.8-45.9178-179.564.7000111.4A200 A201 R202 M206 S207 I208 W233 F237 F375 I384 M391A200-L204 PolarHBondContact O-N 3.21Å; A201-L204 PolarHBondContact O-N 2.95Å; R202-L204 PolarHBondContact O-N 2.96Å; L204-M206 VanDerWaalsContact C-N 3.33Å; L204-M206 PolarHBondContact O-N 3.46Å; L204-S207 PolarHBondContact O-N 2.96Å; L204-I208 WeakPolarHBondContact O-CG1 3.37Å; L204-I208 PolarHBondContact O-N 3.04Å; L204-I208 VanDerWaalsContact O-N 3.14Å; L204-W233 HydrophobicContact CD1-CE3 4.33Å; L204-F237 HydrophobicContact CB-CD2 4.37Å; L204-F375 HydrophobicContact CB-CE1 4.24Å; L204-F375 HydrophobicContact CB-CZ 4.1Å; L204-F375 HydrophobicContact CD2-CE1 3.93Å; L204-F375 HydrophobicContact CD2-CZ 4Å; L204-I384 HydrophobicContact CD1-CG2 4.43Å; L204-I384 HydrophobicContact CD2-CD1 3.69Å; L204-I384 HydrophobicContact CD2-CG1 4.43Å; L204-I384 HydrophobicContact CD2-CG2 3.84Å; L204-M391 HydrophobicContact CD2-CE 4.05Å; L204-M391 HydrophobicContact CD2-SD 4.18Å; L204-M391 HydrophobicContact CG-CE 4.05Å
205F89Confident88.5Confident55 Ų5532.9 Ų32.924%0.24118%0.177CC..Hα-helixtrans-62.3-41.9177.4-179.5-103.8000112.1A201 R202 L203 S207 I208 K209 M391A201-F205 PolarHBondContact O-N 3.26Å; A201-F205 VanDerWaalsContact O-N 3.12Å; R202-F205 PolarHBondContact O-N 3.27Å; L203-F205 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 2.81Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-S207 PolarHBondContact O-N 3.38Å; F205-I208 PolarHBondContact O-N 2.95Å; F205-K209 PolarHBondContact O-N 3.34Å; F205-M391 HydrophobicContact CB-CE 4.05Å; F205-M391 HydrophobicContact CD2-CE 4.26Å
206M87.8Confident89.2Confident44 Ų4430.7 Ų30.722%0.21716%0.163CC..Hα-helixtrans-64.2-37.4176.4-73.9-69.5102.100112.7Y177 R202 L203 L204 I208 K209 W210Y177-M206 HydrophobicContact CD1-SD 4.32Å; Y177-M206 HydrophobicContact CE1-CB 4.18Å; Y177-M206 HydrophobicContact CE1-CG 3.72Å; Y177-M206 HydrophobicContact CE1-SD 3.44Å; Y177-M206 WeakPolarHBondContact CE1-SD 3.27Å; Y177-M206 WeakPolarHBondContact OH-CB 3.27Å; R202-M206 WeakPolarHBondContact O-CB 3.34Å; R202-M206 WeakPolarHBondContact O-CG 3.5Å; R202-M206 PolarHBondContact O-N 3.44Å; L203-M206 PolarHBondContact O-N 3.36Å; L204-M206 VanDerWaalsContact C-N 3.33Å; L204-M206 PolarHBondContact O-N 3.46Å; M206-I208 VanDerWaalsContact C-N 3.35Å; M206-I208 PolarHBondContact O-N 2.98Å; M206-K209 HydrophobicContact CE-CB 4.41Å; M206-K209 HydrophobicContact CE-CD 3.79Å; M206-K209 PolarHBondContact O-N 2.64Å; M206-W210 VanDerWaalsContact O-CB 3.27Å; M206-W210 WeakPolarHBondContact O-CB 3.42Å; M206-W210 PolarHBondContact O-N 3.42Å
207S91.4Very high89.6Confident6 Ų630 Ų304%0.04216%0.158CC..Hα-helixtrans-62.4-40.4172.7-67.70000112.3L203 L204 F205 W210 A211L203-S207 PolarHBondContact O-N 2.87Å; L203-S207 PolarHBondContact O-OG 3.44Å; L204-S207 PolarHBondContact O-N 2.96Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-S207 PolarHBondContact O-N 3.38Å; S207-W210 PolarHBondContact O-N 3.46Å; S207-A211 PolarHBondContact O-N 2.89Å
208I91.4Very high89.9Confident4 Ų432.7 Ų32.72%0.02118%0.178CC..Hα-helixtrans-67.3-45.1176.3-63.9169.6000110.8L204 F205 M206 W210 A211 K212 L388 M391 Y392L204-I208 WeakPolarHBondContact O-CG1 3.37Å; L204-I208 PolarHBondContact O-N 3.04Å; L204-I208 VanDerWaalsContact O-N 3.14Å; F205-I208 PolarHBondContact O-N 2.95Å; M206-I208 VanDerWaalsContact C-N 3.35Å; M206-I208 PolarHBondContact O-N 2.98Å; I208-W210 VanDerWaalsContact C-N 3.31Å; I208-W210 PolarHBondContact O-N 3.49Å; I208-A211 PolarHBondContact O-N 3.06Å; I208-K212 PolarHBondContact O-N 3.3Å; I208-K212 VanDerWaalsContact O-N 3.12Å; I208-L388 HydrophobicContact CD1-CD2 3.64Å; I208-L388 HydrophobicContact CG1-CD2 4.2Å; I208-M391 HydrophobicContact CD1-CB 3.6Å; I208-M391 HydrophobicContact CD1-CE 3.71Å; I208-M391 HydrophobicContact CD1-CG 4.36Å; I208-M391 HydrophobicContact CD1-SD 3.89Å; I208-Y392 HydrophobicContact CG2-CD2 3.93Å
209K88.4Confident90.3Very high99 Ų9935.9 Ų35.943%0.4320%0.2SC..Hα-helixtrans-62.1-40.8176.8-172.2178.9-179.2178.10111.5F205 M206 K212 S213F205-K209 PolarHBondContact O-N 3.34Å; M206-K209 HydrophobicContact CE-CB 4.41Å; M206-K209 HydrophobicContact CE-CD 3.79Å; M206-K209 PolarHBondContact O-N 2.64Å; K209-K212 PolarHBondContact O-N 2.87Å; K209-S213 PolarHBondContact O-N 3.28Å
210W92.5Very high90.5Very high17 Ų1735.5 Ų35.56%0.06420%0.196CC..Hα-helixtrans-59.7-48.2174.3172.482.1000110.9M206 S207 I208 K212 S213 V214 L236 K300M206-W210 VanDerWaalsContact O-CB 3.27Å; M206-W210 WeakPolarHBondContact O-CB 3.42Å; M206-W210 PolarHBondContact O-N 3.42Å; S207-W210 PolarHBondContact O-N 3.46Å; I208-W210 VanDerWaalsContact C-N 3.31Å; I208-W210 PolarHBondContact O-N 3.49Å; W210-K212 VanDerWaalsContact C-N 3.28Å; W210-K212 PolarHBondContact O-N 2.96Å; W210-S213 WeakPolarHBondContact CA-OG 3.31Å; W210-S213 WeakPolarHBondContact O-CA 3.38Å; W210-S213 WeakPolarHBondContact O-CB 3.4Å; W210-S213 PolarHBondContact O-N 3.46Å; W210-S213 PolarHBondContact O-OG 3.22Å; W210-V214 HydrophobicContact CD2-CG2 4.29Å; W210-V214 HydrophobicContact CH2-CG2 3.92Å; W210-V214 HydrophobicContact CZ2-CG2 3.69Å; W210-V214 HydrophobicContact CZ3-CG2 4.34Å; W210-V214 PolarHBondContact O-N 3.21Å; W210-L236 HydrophobicContact CZ3-CD2 4.25Å; W210-K300 HydrophobicContact CD2-CD 4.12Å; W210-K300 HydrophobicContact CE3-CB 4.31Å; W210-K300 HydrophobicContact CE3-CD 4.19Å; W210-K300 HydrophobicContact CH2-CB 3.25Å; W210-K300 HydrophobicContact CH2-CD 4.31Å; W210-K300 HydrophobicContact CH2-CG 4.41Å; W210-K300 HydrophobicContact CZ2-CB 3.7Å; W210-K300 HydrophobicContact CZ2-CD 4.2Å; W210-K300 HydrophobicContact CZ3-CB 3.6Å; W210-K300 HydrophobicContact CZ3-CD 4.3Å; W210-K300 HydrophobicContact CZ3-CG 4.49Å
211A92.1Very high90.6Very high1 Ų137.7 Ų37.71%0.00821%0.21CC..Hα-helixtrans-57.6-41.6178.900000112S207 I208 S213 V214 F217 L229S207-A211 PolarHBondContact O-N 2.89Å; I208-A211 PolarHBondContact O-N 3.06Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.88Å; A211-V214 PolarHBondContact O-N 3.1Å; A211-F217 HydrophobicContact CB-CD1 4.38Å; A211-F217 HydrophobicContact CB-CE1 4.34Å; A211-F217 HydrophobicContact CB-CZ 4.45Å; A211-F217 WeakPolarHBondContact O-CB 3.27Å; A211-F217 VanDerWaalsContact O-CD1 3.22Å; A211-F217 WeakPolarHBondContact O-CD1 3.44Å; A211-F217 WeakPolarHBondContact O-CG 3.22Å; A211-L229 HydrophobicContact CB-CD2 3.82Å
212K89.5Confident90.7Very high38 Ų3839.9 Ų39.917%0.16522%0.217CC..Hα-helixtrans-63.9-32.6173.9-69.7-175.571.3173.90113.9I208 K209 W210 V214 Y392 S395 D396I208-K212 PolarHBondContact O-N 3.3Å; I208-K212 VanDerWaalsContact O-N 3.12Å; K209-K212 PolarHBondContact O-N 2.87Å; W210-K212 VanDerWaalsContact C-N 3.28Å; W210-K212 PolarHBondContact O-N 2.96Å; K212-V214 PolarHBondContact O-N 3.25Å; K212-Y392 HydrophobicContact CD-CD2 3.94Å; K212-Y392 HydrophobicContact CD-CE1 4.35Å; K212-Y392 HydrophobicContact CD-CE2 3.67Å; K212-Y392 HydrophobicContact CD-CG 4.4Å; K212-Y392 HydrophobicContact CG-CD2 3.89Å; K212-Y392 HydrophobicContact CG-CE2 3.21Å; K212-Y392 PolarHBondContact NZ-O 3.16Å; K212-S395 WeakPolarHBondContact CD-OG 3.2Å; K212-S395 WeakPolarHBondContact CE-OG 3.33Å; K212-S395 PolarHBondContact NZ-OG 2.83Å; K212-D396 IonicContact NZ-OD1 2.6Å; K212-D396 PolarHBondContact NZ-OD1 2.95Å; K212-D396 IonicContact NZ-OD2 3.24Å; K212-D396 PolarHBondContact NZ-OD2 3.45Å
213S90.3Very high90.8Very high58 Ų5838 Ų3841%0.40622%0.218SC..Hα-helixtrans-73.7-15.8178.1710000113.3K209 W210 A211 P215K209-S213 PolarHBondContact O-N 3.28Å; W210-S213 WeakPolarHBondContact CA-OG 3.31Å; W210-S213 WeakPolarHBondContact O-CA 3.38Å; W210-S213 WeakPolarHBondContact O-CB 3.4Å; W210-S213 PolarHBondContact O-N 3.46Å; W210-S213 PolarHBondContact O-OG 3.22Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.88Å; S213-P215 VanDerWaalsContact O-CD 3.25Å; S213-P215 WeakPolarHBondContact O-CD 3.05Å
214V91.7Very high90.7Very high8 Ų837.6 Ų37.65%0.04822%0.215CC..  trans-76.2114.5176.1179.40000108.9L170 W210 A211 K212 A216 F217 S218 F305L170-V214 HydrophobicContact CD2-CG1 4.24Å; W210-V214 HydrophobicContact CD2-CG2 4.29Å; W210-V214 HydrophobicContact CH2-CG2 3.92Å; W210-V214 HydrophobicContact CZ2-CG2 3.69Å; W210-V214 HydrophobicContact CZ3-CG2 4.34Å; W210-V214 PolarHBondContact O-N 3.21Å; A211-V214 PolarHBondContact O-N 3.1Å; K212-V214 PolarHBondContact O-N 3.25Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 HydrophobicContact CG1-CB 4.28Å; V214-A216 PolarHBondContact O-N 2.92Å; V214-F217 HydrophobicContact CB-CB 3.97Å; V214-F217 HydrophobicContact CG1-CB 4.19Å; V214-F217 WeakPolarHBondContact O-CB 3.38Å; V214-F217 PolarHBondContact O-N 3.37Å; V214-S218 PolarHBondContact O-N 2.94Å; V214-F305 HydrophobicContact CG1-CZ 4.29Å
215P89.8Confident90.8Very high65 Ų6537.9 Ų37.942%0.42222%0.216SC..Hα-helixtrans-56.2-45.9-176.2-27.336.6000112.5G169 S213 F217 S218 T219G169-P215 VanDerWaalsContact O-CD 3.29Å; G169-P215 WeakPolarHBondContact O-CD 3.46Å; G169-P215 WeakPolarHBondContact O-CG 3.35Å; S213-P215 VanDerWaalsContact O-CD 3.25Å; S213-P215 WeakPolarHBondContact O-CD 3.05Å; P215-F217 PolarHBondContact O-N 3.39Å; P215-S218 WeakPolarHBondContact CA-OG 3.38Å; P215-S218 PolarHBondContact O-N 3.45Å; P215-S218 VanDerWaalsContact O-N 3.11Å; P215-S218 PolarHBondContact O-OG 3.5Å; P215-T219 WeakPolarHBondContact O-CG2 3.46Å; P215-T219 PolarHBondContact O-N 2.93Å; P215-T219 VanDerWaalsContact O-N 3.13Å; P215-T219 PolarHBondContact O-OG1 3.08Å
216A90.3Very high90.9Very high17 Ų1736.6 Ų36.614%0.1421%0.212CC..Hα-helixtrans-60.1-28178.200000114.2L170 V214 T219 F305 L329L170-A216 HydrophobicContact CD2-CB 3.71Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 HydrophobicContact CG1-CB 4.28Å; V214-A216 PolarHBondContact O-N 2.92Å; A216-T219 PolarHBondContact O-OG1 3.25Å; A216-T219 VanDerWaalsContact O-OG1 3.14Å; A216-F305 HydrophobicContact CB-CZ 4.32Å; A216-L329 HydrophobicContact CB-CD1 4.2Å; A216-L329 HydrophobicContact CB-CD2 3.67Å
217F92.7Very high91Very high1 Ų135.9 Ų35.90%0.00421%0.209CC..Hα-helixtrans-79.2-44.7174.5-177.7-86.7000110.6A211 V214 P215 T219 L220 Q225 L228 L229 T304 F305 Y392A211-F217 HydrophobicContact CB-CD1 4.38Å; A211-F217 HydrophobicContact CB-CE1 4.34Å; A211-F217 HydrophobicContact CB-CZ 4.45Å; A211-F217 WeakPolarHBondContact O-CB 3.27Å; A211-F217 VanDerWaalsContact O-CD1 3.22Å; A211-F217 WeakPolarHBondContact O-CD1 3.44Å; A211-F217 WeakPolarHBondContact O-CG 3.22Å; V214-F217 HydrophobicContact CB-CB 3.97Å; V214-F217 HydrophobicContact CG1-CB 4.19Å; V214-F217 WeakPolarHBondContact O-CB 3.38Å; V214-F217 PolarHBondContact O-N 3.37Å; P215-F217 PolarHBondContact O-N 3.39Å; F217-T219 PolarHBondContact O-N 3.46Å; F217-L220 WeakPolarHBondContact O-CB 3.32Å; F217-L220 PolarHBondContact O-N 2.92Å; F217-L220 VanDerWaalsContact O-N 3.11Å; F217-Q225 HydrophobicContact CD1-CG 4.16Å; F217-Q225 HydrophobicContact CE1-CB 3.68Å; F217-Q225 HydrophobicContact CE1-CG 3.67Å; F217-Q225 HydrophobicContact CE2-CB 4.38Å; F217-Q225 HydrophobicContact CZ-CB 3.54Å; F217-Q225 HydrophobicContact CZ-CG 3.87Å; F217-Q225 WeakPolarHBondContact CZ-O 3.27Å; F217-Q225 PolarHBondContact O-NE2 2.81Å; F217-L228 HydrophobicContact CE2-CB 4.12Å; F217-L228 HydrophobicContact CE2-CD1 4.2Å; F217-L229 HydrophobicContact CE1-CD1 4.36Å; F217-L229 HydrophobicContact CE2-CG 4.32Å; F217-L229 HydrophobicContact CZ-CD1 3.84Å; F217-L229 HydrophobicContact CZ-CD2 4.28Å; F217-L229 HydrophobicContact CZ-CG 3.74Å; F217-T304 HydrophobicContact CD2-CG2 3.89Å; F217-T304 HydrophobicContact CE2-CG2 3.84Å; F217-F305 HydrophobicContact CB-CE1 4.03Å; F217-F305 HydrophobicContact CB-CZ 3.96Å; F217-F305 AromaticContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CZ 4.43Å; F217-F305 HydrophobicContact CG-CE1 4.46Å; F217-Y392 AromaticContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CZ-CE2 4.4Å
218S91.4Very high91.1Very high62 Ų6235.7 Ų35.743%0.43421%0.207SC..Hα-helixtrans-63.6-24.8-177.271.30000114.2V214 P215 Q225V214-S218 PolarHBondContact O-N 2.94Å; P215-S218 WeakPolarHBondContact CA-OG 3.38Å; P215-S218 PolarHBondContact O-N 3.45Å; P215-S218 VanDerWaalsContact O-N 3.11Å; P215-S218 PolarHBondContact O-OG 3.5Å; S218-Q225 PolarHBondContact O-NE2 2.82Å
219T91.5Very high91.2Very high111 Ų11135.6 Ų35.668%0.68121%0.207SC*.THydrogen-bonded Turntrans-79.9-15.4177.153.80000113.6P215 A216 F217P215-T219 WeakPolarHBondContact O-CG2 3.46Å; P215-T219 PolarHBondContact O-N 2.93Å; P215-T219 VanDerWaalsContact O-N 3.13Å; P215-T219 PolarHBondContact O-OG1 3.08Å; A216-T219 PolarHBondContact O-OG1 3.25Å; A216-T219 VanDerWaalsContact O-OG1 3.14Å; F217-T219 PolarHBondContact O-N 3.46Å
220L91.4Very high91.4Very high15 Ų1533.1 Ų33.18%0.07920%0.197CC..SBendtrans-70.4156.2177.6-63.4174.2000111.6F217 L222 Q225 L228 F305 I326 L329F217-L220 WeakPolarHBondContact O-CB 3.32Å; F217-L220 PolarHBondContact O-N 2.92Å; F217-L220 VanDerWaalsContact O-N 3.11Å; L220-L222 PolarHBondContact O-N 3.49Å; L220-Q225 HydrophobicContact CB-CG 3.94Å; L220-Q225 PolarHBondContact O-NE2 3.12Å; L220-L228 HydrophobicContact CD1-CD1 3.67Å; L220-F305 HydrophobicContact CD1-CD1 4.35Å; L220-F305 HydrophobicContact CD1-CE1 4.03Å; L220-I326 HydrophobicContact CD1-CG1 4.22Å; L220-I326 HydrophobicContact CD2-CG1 4.31Å; L220-L329 HydrophobicContact CD1-CD1 4.21Å; L220-L329 HydrophobicContact CD2-CD1 4.17Å; L220-L329 HydrophobicContact CG-CD1 4.42Å
221P91.6Very high91.3Very high46 Ų4635 Ų3530%0.29921%0.208SC..  trans-57.9137.6172.3-23.334.2000111.7P223 D224 Q225P221-P223 VanDerWaalsContact C-N 3.3Å; P221-P223 VanDerWaalsContact O-N 3.16Å; P221-D224 WeakPolarHBondContact O-CA 3.44Å; P221-D224 WeakPolarHBondContact O-CB 3.23Å; P221-D224 PolarHBondContact O-N 3.23Å; P221-Q225 PolarHBondContact O-N 3.35Å
222L90.8Very high91.3Very high81 Ų8135 Ų3542%0.42421%0.208SC..Hα-helixtrans-50.1-40.7178.6-179.766.3000114.1L220 D224 Q225 L226 Y392L220-L222 PolarHBondContact O-N 3.49Å; L222-D224 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.14Å; L222-Q225 PolarHBondContact O-N 3.23Å; L222-L226 HydrophobicContact CD1-CD1 4.49Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.24Å; L222-L226 VanDerWaalsContact O-N 3.07Å; L222-Y392 HydrophobicContact CD1-CD1 4.01Å; L222-Y392 HydrophobicContact CD1-CE1 3.6Å
223P89.5Confident91.6Very high56 Ų5633.7 Ų33.736%0.36420%0.202SC..Hα-helixtrans-59.2-42.6174.8-24.635.6000113.1P221 L226 I227P221-P223 VanDerWaalsContact C-N 3.3Å; P221-P223 VanDerWaalsContact O-N 3.16Å; P223-L226 PolarHBondContact O-N 3.01Å; P223-I227 VanDerWaalsContact O-CG1 3.31Å; P223-I227 WeakPolarHBondContact O-CG1 3.25Å; P223-I227 PolarHBondContact O-N 2.65Å; P223-I227 VanDerWaalsContact O-N 3.13Å
224D90.5Very high91.8Very high1 Ų134 Ų341%0.00519%0.194CC..Hα-helixtrans-68.2-42.2179.5-66.2-12.5000110.2P221 L222 L226 I227 L228 F320 R321 N322 I326P221-D224 WeakPolarHBondContact O-CA 3.44Å; P221-D224 WeakPolarHBondContact O-CB 3.23Å; P221-D224 PolarHBondContact O-N 3.23Å; L222-D224 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.14Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L226 PolarHBondContact O-N 3.28Å; D224-I227 PolarHBondContact O-N 2.84Å; D224-L228 WeakPolarHBondContact O-CB 3.38Å; D224-L228 WeakPolarHBondContact O-CG 3.3Å; D224-L228 PolarHBondContact O-N 3.48Å; D224-F320 HydrophobicContact CB-CD1 4.23Å; D224-R321 PolarHBondContact OD1-N 2.94Å; D224-R321 PolarHBondContact OD2-N 3.09Å; D224-N322 PolarHBondContact OD2-N 2.62Å; D224-I326 HydrophobicContact CB-CD1 4.32Å
225Q92.7Very high92Very high10 Ų1033.8 Ų33.85%0.04719%0.193CC..Hα-helixtrans-55.5-45.6175-68.8174.3-5.400112.3F217 S218 L220 P221 L222 L228 L229 Y392F217-Q225 HydrophobicContact CD1-CG 4.16Å; F217-Q225 HydrophobicContact CE1-CB 3.68Å; F217-Q225 HydrophobicContact CE1-CG 3.67Å; F217-Q225 HydrophobicContact CE2-CB 4.38Å; F217-Q225 HydrophobicContact CZ-CB 3.54Å; F217-Q225 HydrophobicContact CZ-CG 3.87Å; F217-Q225 WeakPolarHBondContact CZ-O 3.27Å; F217-Q225 PolarHBondContact O-NE2 2.81Å; S218-Q225 PolarHBondContact O-NE2 2.82Å; L220-Q225 HydrophobicContact CB-CG 3.94Å; L220-Q225 PolarHBondContact O-NE2 3.12Å; P221-Q225 PolarHBondContact O-N 3.35Å; L222-Q225 PolarHBondContact O-N 3.23Å; Q225-L228 PolarHBondContact O-N 2.71Å; Q225-L229 WeakPolarHBondContact O-CG 3.18Å; Q225-L229 PolarHBondContact O-N 3.48Å; Q225-Y392 PolarHBondContact OE1-OH 3.03Å
226L91.3Very high92.3Very high28 Ų2830.9 Ų30.915%0.14717%0.173CC..Hα-helixtrans-67.3-41.6180-67.9179.4000111.9L222 P223 D224 L229 E230 Y392L222-L226 HydrophobicContact CD1-CD1 4.49Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.24Å; L222-L226 VanDerWaalsContact O-N 3.07Å; P223-L226 PolarHBondContact O-N 3.01Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L226 PolarHBondContact O-N 3.28Å; L226-L229 PolarHBondContact O-N 3.1Å; L226-E230 WeakPolarHBondContact O-CB 3.29Å; L226-E230 WeakPolarHBondContact O-CG 3.23Å; L226-E230 PolarHBondContact O-N 2.67Å; L226-Y392 HydrophobicContact CD2-CD1 4.11Å; L226-Y392 HydrophobicContact CD2-CG 4.04Å
227I90.9Very high92.6Very high29 Ų2930.1 Ų30.115%0.14917%0.167CC..Hα-helixtrans-62.2-46.8175.9-66.2166.5000110.3P223 D224 L229 E230 D231 F320P223-I227 VanDerWaalsContact O-CG1 3.31Å; P223-I227 WeakPolarHBondContact O-CG1 3.25Å; P223-I227 PolarHBondContact O-N 2.65Å; P223-I227 VanDerWaalsContact O-N 3.13Å; D224-I227 PolarHBondContact O-N 2.84Å; I227-L229 VanDerWaalsContact C-N 3.28Å; I227-L229 PolarHBondContact O-N 3.36Å; I227-E230 PolarHBondContact O-N 2.93Å; I227-D231 PolarHBondContact O-N 3.24Å; I227-F320 HydrophobicContact CB-CE1 3.92Å; I227-F320 HydrophobicContact CG2-CD1 4.37Å; I227-F320 HydrophobicContact CG2-CE1 3.46Å; I227-F320 VanDerWaalsContact CG2-CE1 3.46Å; I227-F320 HydrophobicContact CG2-CZ 3.69Å
228L93Very high92.7Very high2 Ų230.1 Ų30.11%0.0117%0.167CC..Hα-helixtrans-58.7-40.8178.1-68.4169.4000111.6F217 L220 D224 Q225 D231 A232 T304 F305 F320 I326F217-L228 HydrophobicContact CE2-CB 4.12Å; F217-L228 HydrophobicContact CE2-CD1 4.2Å; L220-L228 HydrophobicContact CD1-CD1 3.67Å; D224-L228 WeakPolarHBondContact O-CB 3.38Å; D224-L228 WeakPolarHBondContact O-CG 3.3Å; D224-L228 PolarHBondContact O-N 3.48Å; Q225-L228 PolarHBondContact O-N 2.71Å; L228-D231 PolarHBondContact O-N 3Å; L228-A232 WeakPolarHBondContact O-CB 3.17Å; L228-A232 PolarHBondContact O-N 2.88Å; L228-T304 HydrophobicContact CB-CG2 4.48Å; L228-T304 VanDerWaalsContact CD2-O 3.24Å; L228-T304 WeakPolarHBondContact CD2-O 3.49Å; L228-F305 HydrophobicContact CD1-CD1 4.38Å; L228-F320 HydrophobicContact CD2-CE1 3.7Å; L228-F320 HydrophobicContact CD2-CZ 3.84Å; L228-F320 HydrophobicContact CG-CE1 3.9Å; L228-F320 HydrophobicContact CG-CZ 4.5Å; L228-I326 HydrophobicContact CD1-CD1 4.14Å; L228-I326 HydrophobicContact CD1-CG1 4.33Å; L228-I326 HydrophobicContact CD2-CD1 4.32Å; L228-I326 HydrophobicContact CD2-CG2 3.86Å
229L93.4Very high92.9Very high3 Ų327.1 Ų27.12%0.01615%0.146CC..Hα-helixtrans-68.7-43.6175.5-73.1170.9000112.4A211 F217 Q225 L226 I227 D231 A232 W233 L236 Y392A211-L229 HydrophobicContact CB-CD2 3.82Å; F217-L229 HydrophobicContact CE1-CD1 4.36Å; F217-L229 HydrophobicContact CE2-CG 4.32Å; F217-L229 HydrophobicContact CZ-CD1 3.84Å; F217-L229 HydrophobicContact CZ-CD2 4.28Å; F217-L229 HydrophobicContact CZ-CG 3.74Å; Q225-L229 WeakPolarHBondContact O-CG 3.18Å; Q225-L229 PolarHBondContact O-N 3.48Å; L226-L229 PolarHBondContact O-N 3.1Å; I227-L229 VanDerWaalsContact C-N 3.28Å; I227-L229 PolarHBondContact O-N 3.36Å; L229-D231 PolarHBondContact O-N 2.94Å; L229-A232 PolarHBondContact O-N 3.05Å; L229-W233 VanDerWaalsContact O-CB 3.28Å; L229-W233 WeakPolarHBondContact O-CB 3.14Å; L229-W233 PolarHBondContact O-N 2.84Å; L229-L236 HydrophobicContact CD2-CD1 4.41Å; L229-Y392 HydrophobicContact CD1-CD2 3.26Å; L229-Y392 HydrophobicContact CD1-CE2 3.6Å; L229-Y392 HydrophobicContact CD1-CG 4.22Å
230E91.7Very high93Very high46 Ų4621.9 Ų21.922%0.21511%0.114CC..Hα-helixtrans-59-34.3175.2-79.2-177-158.700112.7L226 I227 R318 L388L226-E230 WeakPolarHBondContact O-CB 3.29Å; L226-E230 WeakPolarHBondContact O-CG 3.23Å; L226-E230 PolarHBondContact O-N 2.67Å; I227-E230 PolarHBondContact O-N 2.93Å; E230-R318 IonicContact OE2-CZ 2.83Å; E230-R318 IonicContact OE2-NH1 2.81Å; E230-R318 IonicContact OE2-NH2 3.6Å; E230-R318 PolarHBondContact OE2-NH2 3.36Å; E230-L388 HydrophobicContact CB-CD1 4.42Å; E230-L388 HydrophobicContact CG-CD1 4.04Å
231D90.5Very high93.1Very high57 Ų5721.1 Ų21.131%0.30511%0.11SC..Hα-helixtrans-85.3-31.4179.9-72.1-13.7000112.5I227 L228 L229 R318I227-D231 PolarHBondContact O-N 3.24Å; L228-D231 PolarHBondContact O-N 3Å; L229-D231 PolarHBondContact O-N 2.94Å; D231-R318 IonicContact OD1-NH1 3.55Å
232A93.9Very high93.1Very high1 Ų119.3 Ų19.31%0.00810%0.099CC..Hα-helixtrans-97.7-14.8-173.900000115L228 L229 R234 E235 L236 V303L228-A232 WeakPolarHBondContact O-CB 3.17Å; L228-A232 PolarHBondContact O-N 2.88Å; L229-A232 PolarHBondContact O-N 3.05Å; A232-R234 VanDerWaalsContact C-N 3.27Å; A232-R234 PolarHBondContact O-N 3.11Å; A232-R234 VanDerWaalsContact O-N 3.11Å; A232-E235 PolarHBondContact O-N 2.92Å; A232-L236 HydrophobicContact CB-CD1 4.11Å; A232-L236 HydrophobicContact CB-CG 4.3Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.33Å; A232-V303 WeakPolarHBondContact CB-O 3.26Å
233W94.9Very high93.2Very high11 Ų1117.8 Ų17.84%0.0429%0.089CC..Hα-helixtrans-55.6-38.6-168.174.4-91.7000113.6L204 L229 F237 P367 I370 E371 I384 L388L204-W233 HydrophobicContact CD1-CE3 4.33Å; L229-W233 VanDerWaalsContact O-CB 3.28Å; L229-W233 WeakPolarHBondContact O-CB 3.14Å; L229-W233 PolarHBondContact O-N 2.84Å; W233-F237 WeakPolarHBondContact O-CB 3.48Å; W233-F237 PolarHBondContact O-N 2.92Å; W233-P367 HydrophobicContact CH2-CB 4.32Å; W233-P367 HydrophobicContact CZ2-CB 3.74Å; W233-I370 HydrophobicContact CH2-CB 4.32Å; W233-I370 HydrophobicContact CH2-CG2 4.07Å; W233-I370 HydrophobicContact CZ3-CB 4.45Å; W233-I370 HydrophobicContact CZ3-CG2 3.78Å; W233-E371 HydrophobicContact CH2-CG 4.12Å; W233-I384 HydrophobicContact CD2-CB 4.37Å; W233-I384 HydrophobicContact CD2-CG2 3.79Å; W233-I384 HydrophobicContact CE3-CB 4.39Å; W233-I384 HydrophobicContact CE3-CG2 3.83Å; W233-I384 HydrophobicContact CG-CG2 4.28Å; W233-I384 HydrophobicContact CH2-CB 3.97Å; W233-I384 HydrophobicContact CH2-CG1 4Å; W233-I384 HydrophobicContact CH2-CG2 4.32Å; W233-I384 HydrophobicContact CZ2-CB 3.92Å; W233-I384 HydrophobicContact CZ2-CG1 4.44Å; W233-I384 HydrophobicContact CZ2-CG2 4.27Å; W233-I384 HydrophobicContact CZ3-CB 4.21Å; W233-I384 HydrophobicContact CZ3-CG1 4.13Å; W233-I384 HydrophobicContact CZ3-CG2 4.12Å; W233-L388 HydrophobicContact CB-CD1 3.96Å; W233-L388 HydrophobicContact CB-CD2 4.25Å; W233-L388 HydrophobicContact CG-CD1 4.01Å
234R95.1Very high93.1Very high65 Ų6519 Ų1925%0.2459%0.087CC..Hα-helixtrans-65.7-42.4-179.876.6-176.4175.4-131.4-10.9111.4A232 F237 V238 I370A232-R234 VanDerWaalsContact C-N 3.27Å; A232-R234 PolarHBondContact O-N 3.11Å; A232-R234 VanDerWaalsContact O-N 3.11Å; R234-F237 PolarHBondContact O-N 3.24Å; R234-V238 WeakPolarHBondContact O-CG2 3.3Å; R234-V238 PolarHBondContact O-N 3.31Å; R234-I370 HydrophobicContact CB-CD1 4.04Å
235E95.6Very high92.7Very high3 Ų321.6 Ų21.61%0.01411%0.109CC..Hα-helixtrans-72.7-38.8-177.6-64.5179.9-130.600109.8A232 F237 V238 L239 V303 K306 L362 R363A232-E235 PolarHBondContact O-N 2.92Å; E235-F237 VanDerWaalsContact C-N 3.32Å; E235-F237 PolarHBondContact O-N 3.34Å; E235-V238 PolarHBondContact O-N 2.94Å; E235-L239 WeakPolarHBondContact O-CB 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.48Å; E235-L239 PolarHBondContact O-N 2.95Å; E235-V303 HydrophobicContact CB-CB 4.16Å; E235-V303 HydrophobicContact CB-CG1 4.4Å; E235-V303 HydrophobicContact CB-CG2 4.26Å; E235-K306 IonicContact OE1-NZ 3.63Å; E235-K306 PolarHBondContact OE1-NZ 3.14Å; E235-K306 IonicContact OE2-NZ 2.87Å; E235-K306 PolarHBondContact OE2-NZ 2.99Å; E235-L362 HydrophobicContact CB-CB 4.16Å; E235-L362 HydrophobicContact CB-CD1 4.25Å; E235-L362 HydrophobicContact CG-CB 3.94Å; E235-R363 HydrophobicContact CG-CG 4.15Å; E235-R363 IonicContact OE1-CZ 3.34Å; E235-R363 IonicContact OE1-NE 2.84Å; E235-R363 PolarHBondContact OE1-NE 3.08Å; E235-R363 IonicContact OE1-NH2 3.93Å; E235-R363 IonicContact OE2-NE 3.76Å
236L95.8Very high92.1Very high3 Ų321.7 Ų21.72%0.01611%0.109CC..Hα-helixtrans-61.3-39.5170.5-72.1175.1000112.4W210 L229 A232 G240 K300 V303W210-L236 HydrophobicContact CZ3-CD2 4.25Å; L229-L236 HydrophobicContact CD2-CD1 4.41Å; A232-L236 HydrophobicContact CB-CD1 4.11Å; A232-L236 HydrophobicContact CB-CG 4.3Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.33Å; L236-G240 PolarHBondContact O-N 3.5Å; L236-K300 HydrophobicContact CD2-CB 3.74Å; L236-K300 HydrophobicContact CD2-CD 4.43Å; L236-K300 HydrophobicContact CD2-CG 3.77Å; L236-V303 HydrophobicContact CD2-CG2 3.84Å; L236-V303 HydrophobicContact CG-CG2 4.22Å
237F95.8Very high91.5Very high1 Ų122.7 Ų22.70%0.00412%0.118CC..Hα-helixtrans-67.5-46.3177.8-177.2-105.4000111.6A200 L203 L204 W233 R234 E235 G240 I241 I370 F374 F375A200-F237 HydrophobicContact CB-CE2 3.96Å; A200-F237 HydrophobicContact CB-CZ 3.72Å; A200-F237 WeakPolarHBondContact O-CE2 3.37Å; L203-F237 HydrophobicContact CB-CE2 4.36Å; L203-F237 HydrophobicContact CD2-CD2 3.97Å; L203-F237 HydrophobicContact CD2-CE2 3.9Å; L203-F237 HydrophobicContact CG-CD2 4.31Å; L203-F237 HydrophobicContact CG-CE2 4.37Å; L204-F237 HydrophobicContact CB-CD2 4.37Å; W233-F237 WeakPolarHBondContact O-CB 3.48Å; W233-F237 PolarHBondContact O-N 2.92Å; R234-F237 PolarHBondContact O-N 3.24Å; E235-F237 VanDerWaalsContact C-N 3.32Å; E235-F237 PolarHBondContact O-N 3.34Å; F237-G240 CarbonylContact O-C 3.48Å; F237-G240 WeakPolarHBondContact O-CA 3.35Å; F237-G240 PolarHBondContact O-N 3.33Å; F237-G240 VanDerWaalsContact O-N 3.1Å; F237-I241 HydrophobicContact CD1-CD1 3.9Å; F237-I241 HydrophobicContact CE1-CD1 3.39Å; F237-I241 HydrophobicContact CE1-CG1 4.18Å; F237-I241 HydrophobicContact CZ-CD1 3.86Å; F237-I241 HydrophobicContact CZ-CG1 4.28Å; F237-I241 PolarHBondContact O-N 3.16Å; F237-I370 HydrophobicContact CD1-CD1 4.32Å; F237-I370 HydrophobicContact CD1-CG2 3.62Å; F237-I370 HydrophobicContact CE1-CG2 3.55Å; F237-I370 HydrophobicContact CZ-CG2 4.46Å; F237-F374 AromaticContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CE2 4.24Å; F237-F374 HydrophobicContact CE1-CG 4.12Å; F237-F374 HydrophobicContact CZ-CB 4.26Å; F237-F374 HydrophobicContact CZ-CD1 4.25Å; F237-F374 HydrophobicContact CZ-CD2 4.3Å; F237-F374 HydrophobicContact CZ-CG 4.01Å; F237-F375 HydrophobicContact CD2-CE2 4.49Å; F237-F375 HydrophobicContact CD2-CZ 4.1Å; F237-F375 HydrophobicContact CE1-CE2 4.12Å; F237-F375 HydrophobicContact CE1-CZ 4.49Å; F237-F375 AromaticContact CE2-CE2 3.97Å; F237-F375 HydrophobicContact CE2-CE2 3.97Å; F237-F375 AromaticContact CE2-CZ 3.52Å; F237-F375 HydrophobicContact CE2-CZ 3.52Å; F237-F375 AromaticContact CZ-CE2 3.76Å; F237-F375 HydrophobicContact CZ-CE2 3.76Å; F237-F375 AromaticContact CZ-CZ 3.75Å; F237-F375 HydrophobicContact CZ-CZ 3.75Å
238V95.6Very high91Very high1 Ų121.8 Ų21.81%0.00611%0.113CC..Hα-helixtrans-64.2-42.8176.8175.80000111.6R234 E235 G240 I241 A242 L279 V282 L362 I370R234-V238 WeakPolarHBondContact O-CG2 3.3Å; R234-V238 PolarHBondContact O-N 3.31Å; E235-V238 PolarHBondContact O-N 2.94Å; V238-G240 PolarHBondContact O-N 3.38Å; V238-I241 PolarHBondContact O-N 3.49Å; V238-A242 PolarHBondContact O-N 3.15Å; V238-L279 HydrophobicContact CB-CD1 4.41Å; V238-L279 HydrophobicContact CG1-CD1 3.79Å; V238-L279 HydrophobicContact CG2-CD1 3.92Å; V238-V282 HydrophobicContact CG1-CG1 3.93Å; V238-L362 HydrophobicContact CB-CD2 4.05Å; V238-L362 HydrophobicContact CG1-CD2 3.57Å; V238-I370 HydrophobicContact CG2-CD1 4.22Å
239L95.5Very high90.5Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-59.1-38.9171.5-78.3174000111.5E235 A242 Q243 F286 F296 L299 K300 V303 L362E235-L239 WeakPolarHBondContact O-CB 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.48Å; E235-L239 PolarHBondContact O-N 2.95Å; L239-A242 PolarHBondContact O-N 3.32Å; L239-Q243 WeakPolarHBondContact O-CB 3.37Å; L239-Q243 PolarHBondContact O-N 2.83Å; L239-F286 HydrophobicContact CD2-CD1 4.48Å; L239-F286 HydrophobicContact CD2-CE1 3.79Å; L239-F286 HydrophobicContact CD2-CE2 4.25Å; L239-F286 HydrophobicContact CD2-CZ 3.66Å; L239-F296 HydrophobicContact CD2-CD1 4.5Å; L239-L299 HydrophobicContact CD1-CB 4.26Å; L239-K300 HydrophobicContact CD1-CG 4.03Å; L239-V303 HydrophobicContact CD1-CG1 4.32Å; L239-V303 HydrophobicContact CD1-CG2 3.88Å; L239-L362 HydrophobicContact CD1-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD2 4.01Å; L239-L362 HydrophobicContact CG-CD1 3.77Å; L239-L362 HydrophobicContact CG-CD2 3.98Å
240G93.9Very high89.9Confident0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-61.8-45.6174.500000113.1L203 L236 F237 V238 A242 Q243 W244L203-G240 VanDerWaalsContact CD2-C 3.4Å; L236-G240 PolarHBondContact O-N 3.5Å; F237-G240 CarbonylContact O-C 3.48Å; F237-G240 WeakPolarHBondContact O-CA 3.35Å; F237-G240 PolarHBondContact O-N 3.33Å; F237-G240 VanDerWaalsContact O-N 3.1Å; V238-G240 PolarHBondContact O-N 3.38Å; G240-A242 VanDerWaalsContact C-N 3.28Å; G240-A242 PolarHBondContact O-N 2.99Å; G240-Q243 PolarHBondContact O-N 3.41Å; G240-W244 WeakPolarHBondContact O-CB 3.45Å; G240-W244 VanDerWaalsContact O-CD1 3.23Å; G240-W244 PolarHBondContact O-N 3.49Å
241I92.7Very high89.2Confident0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-58.8-43.6175.2-73.8175.4000110.3L203 F237 V238 A245 I246 V248 L279 V283 F374L203-I241 HydrophobicContact CD2-CG1 3.86Å; F237-I241 HydrophobicContact CD1-CD1 3.9Å; F237-I241 HydrophobicContact CE1-CD1 3.39Å; F237-I241 HydrophobicContact CE1-CG1 4.18Å; F237-I241 HydrophobicContact CZ-CD1 3.86Å; F237-I241 HydrophobicContact CZ-CG1 4.28Å; F237-I241 PolarHBondContact O-N 3.16Å; V238-I241 PolarHBondContact O-N 3.49Å; I241-A245 WeakPolarHBondContact O-CA 3.05Å; I241-A245 PolarHBondContact O-N 2.96Å; I241-I246 HydrophobicContact CG1-CB 4.37Å; I241-I246 HydrophobicContact CG1-CD1 4.19Å; I241-I246 HydrophobicContact CG2-CB 4.24Å; I241-I246 PolarHBondContact O-N 3.24Å; I241-V248 HydrophobicContact CG2-CG1 3.44Å; I241-V248 VanDerWaalsContact CG2-CG1 3.44Å; I241-L279 HydrophobicContact CD1-CD2 4.31Å; I241-V283 HydrophobicContact CG2-CG2 3.61Å; I241-F374 HydrophobicContact CD1-CE1 4.27Å; I241-F374 HydrophobicContact CD1-CE2 4.29Å; I241-F374 HydrophobicContact CD1-CZ 3.88Å
242A92.5Very high88.8Confident7 Ų729.5 Ų29.56%0.05816%0.16CC..Hα-helixtrans-64.7-44.5178.600000112.1V238 L239 G240 V283 F286 F296V238-A242 PolarHBondContact O-N 3.15Å; L239-A242 PolarHBondContact O-N 3.32Å; G240-A242 VanDerWaalsContact C-N 3.28Å; G240-A242 PolarHBondContact O-N 2.99Å; A242-V283 HydrophobicContact CB-CG2 4.45Å; A242-F286 HydrophobicContact CB-CB 3.83Å; A242-F286 HydrophobicContact CB-CD2 4.32Å; A242-F286 HydrophobicContact CB-CG 4.15Å; A242-F296 HydrophobicContact CB-CE1 4.4Å
243Q92.6Very high88.2Confident49 Ų4929.5 Ų29.523%0.22916%0.16CC..Hα-helixtrans-66.5-45.1-179.7-176176.86.200112.7L239 G240 A245 F296 K300L239-Q243 WeakPolarHBondContact O-CB 3.37Å; L239-Q243 PolarHBondContact O-N 2.83Å; G240-Q243 PolarHBondContact O-N 3.41Å; Q243-A245 VanDerWaalsContact C-N 3.35Å; Q243-F296 HydrophobicContact CB-CD1 3.93Å; Q243-F296 HydrophobicContact CB-CD2 4.18Å; Q243-F296 HydrophobicContact CB-CE1 3.76Å; Q243-F296 HydrophobicContact CB-CE2 4.02Å; Q243-F296 HydrophobicContact CB-CG 4.15Å; Q243-F296 HydrophobicContact CB-CZ 3.81Å; Q243-F296 HydrophobicContact CG-CD1 4.33Å; Q243-F296 HydrophobicContact CG-CD2 3.84Å; Q243-F296 HydrophobicContact CG-CE1 4.47Å; Q243-F296 HydrophobicContact CG-CE2 3.98Å; Q243-F296 HydrophobicContact CG-CG 4.03Å; Q243-F296 HydrophobicContact CG-CZ 4.3Å; Q243-K300 VanDerWaalsContact OE1-CE 3.3Å
244W87.9Confident87.5Confident81 Ų8130.7 Ų30.731%0.30717%0.167SC..Hα-helixtrans-94.86.7-174.4-63.4103.9000113.7Y177 L203 G240 I246Y177-W244 HydrophobicContact CD1-CH2 4.13Å; Y177-W244 HydrophobicContact CD1-CZ2 4.22Å; Y177-W244 AromaticContact CD2-CH2 3.36Å; Y177-W244 HydrophobicContact CD2-CH2 3.36Å; Y177-W244 AromaticContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CD2-CZ2 3.5Å; Y177-W244 VanDerWaalsContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CE1-CH2 4.42Å; Y177-W244 HydrophobicContact CE1-CZ2 4.04Å; Y177-W244 AromaticContact CE2-CH2 3.75Å; Y177-W244 HydrophobicContact CE2-CH2 3.75Å; Y177-W244 AromaticContact CE2-CZ2 3.33Å; Y177-W244 HydrophobicContact CE2-CZ2 3.33Å; Y177-W244 AromaticContact CG-CH2 3.58Å; Y177-W244 HydrophobicContact CG-CH2 3.58Å; Y177-W244 AromaticContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ3 4.39Å; Y177-W244 AromaticContact CZ-CZ2 3.61Å; L203-W244 HydrophobicContact CD1-CG 4.3Å; G240-W244 WeakPolarHBondContact O-CB 3.45Å; G240-W244 VanDerWaalsContact O-CD1 3.23Å; G240-W244 PolarHBondContact O-N 3.49Å; W244-I246 VanDerWaalsContact C-N 3.25Å; W244-I246 HydrophobicContact CB-CG1 4.49Å; W244-I246 PolarHBondContact O-N 3.45Å
245A82.4Confident86.6Confident57 Ų5731 Ų3147%0.47118%0.183SC..THydrogen-bonded Turntrans5239.417700000114.3I241 Q243I241-A245 WeakPolarHBondContact O-CA 3.05Å; I241-A245 PolarHBondContact O-N 2.96Å; Q243-A245 VanDerWaalsContact C-N 3.35Å
246I79.7Confident85.6Confident11 Ų1132.5 Ų32.56%0.05619%0.192CC..  trans-57.8135175.9-61.6-175000108.9V196 L203 I241 W244 V248 R287V196-I246 HydrophobicContact CG1-CG2 4.12Å; L203-I246 HydrophobicContact CB-CD1 4.2Å; L203-I246 HydrophobicContact CD2-CD1 3.56Å; L203-I246 HydrophobicContact CG-CD1 4.43Å; I241-I246 HydrophobicContact CG1-CB 4.37Å; I241-I246 HydrophobicContact CG1-CD1 4.19Å; I241-I246 HydrophobicContact CG2-CB 4.24Å; I241-I246 PolarHBondContact O-N 3.24Å; W244-I246 VanDerWaalsContact C-N 3.25Å; W244-I246 HydrophobicContact CB-CG1 4.49Å; W244-I246 PolarHBondContact O-N 3.45Å; I246-V248 PolarHBondContact O-N 2.91Å; I246-R287 PolarHBondContact O-NH2 3.07Å
247P77.9Confident84.5Confident49 Ų4933.2 Ų33.232%0.31820%0.198SC..  trans-58.5125.6173.8-24.234.3000110.8V191V191-P247 HydrophobicContact CG1-CG 4.41Å
248V81.1Confident83.2Confident10 Ų1035.2 Ų35.26%0.06122%0.219CC..  trans-122.412.3-177.7-72.90000112.4I241 I246 L253 L279 Q280 V283I241-V248 HydrophobicContact CG2-CG1 3.44Å; I241-V248 VanDerWaalsContact CG2-CG1 3.44Å; I246-V248 PolarHBondContact O-N 2.91Å; V248-L253 HydrophobicContact CB-CD1 4.31Å; V248-L253 WeakPolarHBondContact O-CD1 3.1Å; V248-L279 HydrophobicContact CG1-CD2 4.12Å; V248-L279 HydrophobicContact CG1-CG 4.34Å; V248-Q280 HydrophobicContact CB-CG 4.19Å; V248-Q280 HydrophobicContact CG2-CG 3.91Å; V248-Q280 WeakPolarHBondContact O-CG 3.38Å; V248-Q280 PolarHBondContact O-NE2 2.78Å; V248-V283 HydrophobicContact CG2-CB 4.45Å; V248-V283 HydrophobicContact CG2-CG1 4.26Å
249D82.4Confident81.8Confident66 Ų6637 Ų3735%0.35323%0.227SC..  trans-63139.5-179.365.1-79.8000111.3N251 T252 L253D249-N251 PolarHBondContact O-N 3.24Å; D249-T252 PolarHBondContact O-N 2.89Å; D249-T252 VanDerWaalsContact OD1-CB 3.24Å; D249-T252 WeakPolarHBondContact OD1-CB 3.34Å; D249-T252 PolarHBondContact OD1-OG1 3.21Å; D249-T252 VanDerWaalsContact OD1-OG1 3.06Å; D249-T252 WeakPolarHBondContact OD2-CA 3.38Å; D249-T252 WeakPolarHBondContact OD2-CB 3.24Å; D249-T252 PolarHBondContact OD2-N 2.85Å; D249-T252 PolarHBondContact OD2-OG1 3.43Å; D249-L253 WeakPolarHBondContact O-CG 3.47Å; D249-L253 PolarHBondContact O-N 3.3Å
250S79.6Confident80.1Confident21 Ų2142.5 Ų42.515%0.14726%0.257CS..Hα-helixtrans-62.6-37-168.1-55.20000111.2L253 L254 Q280S250-L253 PolarHBondContact O-N 3.34Å; S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.43Å; S250-L254 WeakPolarHBondContact O-CD1 3.2Å; S250-L254 WeakPolarHBondContact O-CG 3.49Å; S250-L254 PolarHBondContact O-N 2.74Å; S250-Q280 PolarHBondContact OG-NE2 3.48Å
251N78.3Confident78.3Confident132 Ų13249 Ų4971%0.70630%0.296SS*.Hα-helixtrans-67-45.6-178.9-65-11.6000111.2D249 A255D249-N251 PolarHBondContact O-N 3.24Å; N251-A255 VanDerWaalsContact O-CB 3.23Å; N251-A255 WeakPolarHBondContact O-CB 3.47Å; N251-A255 PolarHBondContact O-N 3.37Å
252T81.4Confident76.5Confident51 Ų5155.4 Ų55.431%0.31333%0.331SS..Hα-helixtrans-64.6-44.7175.6-63.10000110.9V196 D249 L254 A255 V256V196-T252 HydrophobicContact CG2-CG2 3.95Å; D249-T252 PolarHBondContact O-N 2.89Å; D249-T252 VanDerWaalsContact OD1-CB 3.24Å; D249-T252 WeakPolarHBondContact OD1-CB 3.34Å; D249-T252 PolarHBondContact OD1-OG1 3.21Å; D249-T252 VanDerWaalsContact OD1-OG1 3.06Å; D249-T252 WeakPolarHBondContact OD2-CA 3.38Å; D249-T252 WeakPolarHBondContact OD2-CB 3.24Å; D249-T252 PolarHBondContact OD2-N 2.85Å; D249-T252 PolarHBondContact OD2-OG1 3.43Å; T252-L254 PolarHBondContact O-N 3.13Å; T252-A255 PolarHBondContact O-N 3.04Å; T252-V256 HydrophobicContact CG2-CG2 4.07Å; T252-V256 VanDerWaalsContact O-CB 3.26Å; T252-V256 WeakPolarHBondContact O-CB 3.28Å; T252-V256 WeakPolarHBondContact O-CG2 3.48Å; T252-V256 PolarHBondContact O-N 3.33Å
253L81.4Confident74.6Confident2 Ų262.5 Ų62.51%0.0137%0.368CS..Hα-helixtrans-65.4-40.6-179-70-176.8000112.7V196 V248 D249 S250 S257 I276 V373 F374V196-L253 HydrophobicContact CG1-CD2 3.81Å; V248-L253 HydrophobicContact CB-CD1 4.31Å; V248-L253 WeakPolarHBondContact O-CD1 3.1Å; D249-L253 WeakPolarHBondContact O-CG 3.47Å; D249-L253 PolarHBondContact O-N 3.3Å; S250-L253 PolarHBondContact O-N 3.34Å; L253-S257 VanDerWaalsContact O-CB 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.42Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-S257 PolarHBondContact O-OG 3.43Å; L253-I276 HydrophobicContact CB-CD1 4.36Å; L253-I276 HydrophobicContact CD1-CG1 4.37Å; L253-I276 HydrophobicContact CD1-CG2 3.86Å; L253-V373 HydrophobicContact CB-CG1 3.87Å; L253-V373 HydrophobicContact CD1-CG1 4.16Å; L253-V373 HydrophobicContact CD2-CG1 4.03Å; L253-V373 HydrophobicContact CG-CG1 4.24Å; L253-F374 HydrophobicContact CD1-CZ 3.93Å; L253-F374 HydrophobicContact CD2-CD1 4.34Å; L253-F374 HydrophobicContact CD2-CE1 3.56Å; L253-F374 HydrophobicContact CD2-CZ 3.78Å
254L80.5Confident72.8Confident36 Ų3664.8 Ų64.819%0.18839%0.385CS..Hα-helixtrans-68.8-41176.3-68.4170.4000112.2S250 T252 S257 G258 M259 I273 I276S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.43Å; S250-L254 WeakPolarHBondContact O-CD1 3.2Å; S250-L254 WeakPolarHBondContact O-CG 3.49Å; S250-L254 PolarHBondContact O-N 2.74Å; T252-L254 PolarHBondContact O-N 3.13Å; L254-S257 WeakPolarHBondContact CA-OG 3.17Å; L254-S257 PolarHBondContact O-N 2.93Å; L254-S257 PolarHBondContact O-OG 3.26Å; L254-G258 PolarHBondContact O-N 2.92Å; L254-G258 VanDerWaalsContact O-N 3.08Å; L254-M259 HydrophobicContact CD2-CB 4.39Å; L254-M259 PolarHBondContact O-N 3.47Å; L254-I273 HydrophobicContact CD1-CD1 4.37Å; L254-I273 HydrophobicContact CD1-CG1 4.13Å; L254-I273 HydrophobicContact CD2-CG1 4.27Å; L254-I276 HydrophobicContact CD2-CD1 4.31Å
255A76.9Confident71.4Confident71 Ų7167 Ų6759%0.58740%0.399SS*.Hα-helixtrans-64-43.5175.200000111.4N251 T252 G258N251-A255 VanDerWaalsContact O-CB 3.23Å; N251-A255 WeakPolarHBondContact O-CB 3.47Å; N251-A255 PolarHBondContact O-N 3.37Å; T252-A255 PolarHBondContact O-N 3.04Å; A255-G258 PolarHBondContact O-N 3.36Å
256V74.7Confident70.8Confident35 Ų3568.3 Ų68.321%0.21241%0.405CS..Hα-helixtrans-72.1-27.8178.8175.30000111.8V196 C197 T252 G258 K377V196-V256 HydrophobicContact CB-CG1 4.23Å; V196-V256 HydrophobicContact CG2-CG2 4.32Å; C197-V256 VanDerWaalsContact SG-CG1 3.51Å; T252-V256 HydrophobicContact CG2-CG2 4.07Å; T252-V256 VanDerWaalsContact O-CB 3.26Å; T252-V256 WeakPolarHBondContact O-CB 3.28Å; T252-V256 WeakPolarHBondContact O-CG2 3.48Å; T252-V256 PolarHBondContact O-N 3.33Å; V256-G258 VanDerWaalsContact C-N 3.32Å; V256-K377 WeakPolarHBondContact O-CD 3.4Å; V256-K377 WeakPolarHBondContact O-CE 3.43Å; V256-K377 PolarHBondContact O-NZ 3.02Å
257S71.3Confident70.8Confident18 Ų1875.5 Ų75.513%0.12644%0.438CS..Hα-helixtrans-78.5-17.1172.768.70000112.8L253 L254 M259 K377L253-S257 VanDerWaalsContact O-CB 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.42Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-S257 PolarHBondContact O-OG 3.43Å; L254-S257 WeakPolarHBondContact CA-OG 3.17Å; L254-S257 PolarHBondContact O-N 2.93Å; L254-S257 PolarHBondContact O-OG 3.26Å; S257-M259 VanDerWaalsContact C-N 3.29Å; S257-M259 VanDerWaalsContact OG-CG 3.26Å; S257-M259 WeakPolarHBondContact OG-CG 3.19Å; S257-K377 VanDerWaalsContact C-CE 3.4Å; S257-K377 WeakPolarHBondContact O-CE 3.04Å
258G68.5Low71.1Confident43 Ų4378.9 Ų78.944%0.44344%0.444SS..THydrogen-bonded Turntrans74.821.3-178.600000113L254 A255 V256 N260L254-G258 PolarHBondContact O-N 2.92Å; L254-G258 VanDerWaalsContact O-N 3.08Å; A255-G258 PolarHBondContact O-N 3.36Å; V256-G258 VanDerWaalsContact C-N 3.32Å; G258-N260 PolarHBondContact O-N 3.47Å
259M66.8Low71.2Confident37 Ų3779.7 Ų79.718%0.18245%0.448CS..  trans-83.588175.2-65.3-176.9120.800108.6L254 S257 L269 I272 E372L254-M259 HydrophobicContact CD2-CB 4.39Å; L254-M259 PolarHBondContact O-N 3.47Å; S257-M259 VanDerWaalsContact C-N 3.29Å; S257-M259 VanDerWaalsContact OG-CG 3.26Å; S257-M259 WeakPolarHBondContact OG-CG 3.19Å; M259-L269 HydrophobicContact CB-CD2 4.15Å; M259-L269 HydrophobicContact CE-CD2 3.64Å; M259-L269 HydrophobicContact CG-CD2 4.37Å; M259-L269 HydrophobicContact SD-CD2 3.95Å; M259-I272 HydrophobicContact CE-CD1 3.61Å; M259-I272 HydrophobicContact SD-CD1 4.21Å; M259-I272 HydrophobicContact SD-CG2 4.46Å; M259-E372 HydrophobicContact CE-CG 3.84Å; M259-E372 HydrophobicContact SD-CG 4.42Å
260N58.8Low71.4Confident117 Ų11781.2 Ų81.263%0.62646%0.457SS*.  trans-78.4142.8173.2-68.4-6.1000109.9G258 D262G258-N260 PolarHBondContact O-N 3.47Å; N260-D262 PolarHBondContact O-N 3.23Å
261T57.3Low71.9Confident135 Ų13585 Ų8583%0.82848%0.475SS*.SBendtrans-63.34.7-179.723.80000115.7N263T261-N263 PolarHBondContact O-N 2.93Å
262D53.8Low72.4Confident135 Ų13579.2 Ų79.272%0.72244%0.444SS*.SBendtrans-91.289.7-175.2-65.9-28.9000111.1N260N260-D262 PolarHBondContact O-N 3.23Å
263N54.3Low72.8Confident157 Ų15779.1 Ų79.184%0.8444%0.441SS*.SBendtrans61.245.5154.3-84.3-13.2000120.1T261T261-N263 PolarHBondContact O-N 2.93Å
264T54.5Low73.3Confident96 Ų9682.4 Ų82.459%0.58946%0.464SS*.SBendtrans-132.1124.5157.144.60000112.1L269T264-L269 VanDerWaalsContact O-CD1 3.29Å; T264-L269 WeakPolarHBondContact O-CD1 3.09Å
265E58.9Low73.9Confident128 Ų12882.8 Ų82.860%0.59847%0.465SS*.  trans48.863.5164.9-61.5-174.9157.800116.2Q267 R268 L269E265-Q267 PolarHBondContact O-N 2.9Å; E265-R268 HydrophobicContact CB-CB 4Å; E265-R268 PolarHBondContact O-N 3.03Å; E265-R268 WeakPolarHBondContact OE2-CD 3.39Å; E265-R268 IonicContact OE2-NH1 3.63Å; E265-R268 PolarHBondContact OE2-NH1 2.67Å; E265-L269 PolarHBondContact O-N 2.89Å
266S69.6Low74.6Confident85 Ų8579.5 Ų79.559%0.59444%0.438SS*.Hα-helixtrans-49-35.9-177.5-42.40000114.2N270S266-N270 WeakPolarHBondContact O-CB 3.32Å; S266-N270 PolarHBondContact O-N 3.29Å; S266-N270 PolarHBondContact O-ND2 3.28Å; S266-N270 PolarHBondContact O-OD1 3.05Å
267Q79.5Confident75.5Confident162 Ų16283 Ų8376%0.75745%0.451SS*.Hα-helixtrans-68.2-41.7177.9-71.6176.1-11.900113.2E265 N270 N271E265-Q267 PolarHBondContact O-N 2.9Å; Q267-N270 PolarHBondContact O-N 3.12Å; Q267-N271 VanDerWaalsContact O-CG 3.25Å; Q267-N271 PolarHBondContact O-N 3.11Å; Q267-N271 PolarHBondContact O-OD1 3.11Å
268R83.3Confident76.6Confident119 Ų11983.2 Ų83.245%0.44945%0.454SS..Hα-helixtrans-67.3-42.1179-177.6-178177174.4-0.2111.1E265 N271 I272 E372E265-R268 HydrophobicContact CB-CB 4Å; E265-R268 PolarHBondContact O-N 3.03Å; E265-R268 WeakPolarHBondContact OE2-CD 3.39Å; E265-R268 IonicContact OE2-NH1 3.63Å; E265-R268 PolarHBondContact OE2-NH1 2.67Å; R268-N271 PolarHBondContact O-N 3.02Å; R268-I272 HydrophobicContact CG-CD1 4.29Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 3.29Å; R268-E372 IonicContact NH2-OE2 3.63Å
269L83.7Confident77.8Confident28 Ų2881.3 Ų81.315%0.14743%0.434CS..Hα-helixtrans-62.5-43.6174.6-69.8176.5000111.3M259 T264 E265 N271 I272 I273M259-L269 HydrophobicContact CB-CD2 4.15Å; M259-L269 HydrophobicContact CE-CD2 3.64Å; M259-L269 HydrophobicContact CG-CD2 4.37Å; M259-L269 HydrophobicContact SD-CD2 3.95Å; T264-L269 VanDerWaalsContact O-CD1 3.29Å; T264-L269 WeakPolarHBondContact O-CD1 3.09Å; E265-L269 PolarHBondContact O-N 2.89Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 3.33Å; L269-I272 PolarHBondContact O-N 2.76Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.26Å; L269-I273 PolarHBondContact O-N 3.36Å
270N86.3Confident79Confident98 Ų9881.6 Ų81.652%0.52444%0.435SS..Hα-helixtrans-60.8-39.7176.3-71.7-21.1000112.4S266 Q267 I273 S274S266-N270 WeakPolarHBondContact O-CB 3.32Å; S266-N270 PolarHBondContact O-N 3.29Å; S266-N270 PolarHBondContact O-ND2 3.28Å; S266-N270 PolarHBondContact O-OD1 3.05Å; Q267-N270 PolarHBondContact O-N 3.12Å; N270-I273 PolarHBondContact O-N 3.11Å; N270-S274 WeakPolarHBondContact O-CB 3.4Å; N270-S274 PolarHBondContact O-N 3.02Å
271N89.9Confident80.7Confident101 Ų10181 Ų8154%0.5443%0.429SS..Hα-helixtrans-63.2-45.5175.4-68.8-10.5000111.5Q267 R268 L269 I273 S274 E275Q267-N271 VanDerWaalsContact O-CG 3.25Å; Q267-N271 PolarHBondContact O-N 3.11Å; Q267-N271 PolarHBondContact O-OD1 3.11Å; R268-N271 PolarHBondContact O-N 3.02Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 3.33Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 2.9Å; N271-S274 WeakPolarHBondContact O-CB 3.24Å; N271-S274 PolarHBondContact O-N 2.64Å; N271-E275 PolarHBondContact O-N 2.74Å
272I89.4Confident82.4Confident9 Ų974.9 Ų74.95%0.04639%0.391CS..Hα-helixtrans-61.7-43.1177.1-71.2169.2000110.9M259 R268 L269 E275 I276 T369 E372 V373M259-I272 HydrophobicContact CE-CD1 3.61Å; M259-I272 HydrophobicContact SD-CD1 4.21Å; M259-I272 HydrophobicContact SD-CG2 4.46Å; R268-I272 HydrophobicContact CG-CD1 4.29Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 3.29Å; L269-I272 PolarHBondContact O-N 2.76Å; I272-E275 PolarHBondContact O-N 3.16Å; I272-I276 HydrophobicContact CG2-CD1 3.77Å; I272-I276 HydrophobicContact CG2-CG1 4.38Å; I272-I276 VanDerWaalsContact O-CG1 3.25Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 3.13Å; I272-T369 HydrophobicContact CG1-CG2 4.47Å; I272-T369 HydrophobicContact CG2-CG2 4.21Å; I272-E372 HydrophobicContact CD1-CG 4.04Å; I272-V373 HydrophobicContact CG2-CG2 3.88Å
273I89.1Confident84.3Confident49 Ų4968.4 Ų68.425%0.25136%0.357SS..Hα-helixtrans-62-45177.4-68.4166.2000110.8L254 L269 N270 N271 E275 I276 Q277L254-I273 HydrophobicContact CD1-CD1 4.37Å; L254-I273 HydrophobicContact CD1-CG1 4.13Å; L254-I273 HydrophobicContact CD2-CG1 4.27Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.26Å; L269-I273 PolarHBondContact O-N 3.36Å; N270-I273 PolarHBondContact O-N 3.11Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 2.9Å; I273-E275 PolarHBondContact O-N 2.84Å; I273-I276 PolarHBondContact O-N 3.34Å; I273-Q277 WeakPolarHBondContact O-CG 3.39Å; I273-Q277 PolarHBondContact O-N 3.07Å
274S92.3Very high86.1Confident71 Ų7163.9 Ų63.950%0.49733%0.334SS..Hα-helixtrans-60.1-44.2176.2-177.10000111.8N270 N271 I276 Q277 A278N270-S274 WeakPolarHBondContact O-CB 3.4Å; N270-S274 PolarHBondContact O-N 3.02Å; N271-S274 WeakPolarHBondContact O-CB 3.24Å; N271-S274 PolarHBondContact O-N 2.64Å; S274-I276 PolarHBondContact O-N 2.84Å; S274-Q277 WeakPolarHBondContact O-CB 3.46Å; S274-Q277 PolarHBondContact O-N 3.03Å; S274-A278 PolarHBondContact O-N 2.82Å
275E94.1Very high88Confident44 Ų4464.2 Ų64.221%0.20633%0.325CS..Hα-helixtrans-67.7-34.1176.2-74.6-172.6-145.400112.8N271 I272 I273 A278 L279 V365 S366 T369N271-E275 PolarHBondContact O-N 2.74Å; I272-E275 PolarHBondContact O-N 3.16Å; I273-E275 PolarHBondContact O-N 2.84Å; E275-A278 PolarHBondContact O-N 3.49Å; E275-L279 PolarHBondContact O-N 3.35Å; E275-V365 HydrophobicContact CB-CG1 4.35Å; E275-S366 PolarHBondContact OE1-OG 2.95Å; E275-S366 VanDerWaalsContact OE2-CB 3.28Å; E275-S366 WeakPolarHBondContact OE2-CB 3.22Å; E275-S366 PolarHBondContact OE2-N 3.39Å; E275-S366 PolarHBondContact OE2-OG 3.27Å; E275-T369 HydrophobicContact CB-CG2 3.94Å; E275-T369 WeakPolarHBondContact OE2-CB 3.34Å; E275-T369 PolarHBondContact OE2-OG1 2.9Å
276I91.6Very high89.7Confident3 Ų358.2 Ų58.22%0.01530%0.297CS..Hα-helixtrans-64.9-40.6171.6-70.9165.9000110.8L253 L254 I272 I273 S274 A278 L279 Q280 V373L253-I276 HydrophobicContact CB-CD1 4.36Å; L253-I276 HydrophobicContact CD1-CG1 4.37Å; L253-I276 HydrophobicContact CD1-CG2 3.86Å; L254-I276 HydrophobicContact CD2-CD1 4.31Å; I272-I276 HydrophobicContact CG2-CD1 3.77Å; I272-I276 HydrophobicContact CG2-CG1 4.38Å; I272-I276 VanDerWaalsContact O-CG1 3.25Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 3.13Å; I273-I276 PolarHBondContact O-N 3.34Å; S274-I276 PolarHBondContact O-N 2.84Å; I276-A278 VanDerWaalsContact C-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.47Å; I276-L279 PolarHBondContact O-N 3.43Å; I276-Q280 WeakPolarHBondContact O-CG 3.45Å; I276-Q280 PolarHBondContact O-N 3.32Å; I276-V373 HydrophobicContact CD1-CG2 3.99Å; I276-V373 HydrophobicContact CG1-CG2 4.32Å
277Q92.6Very high90.7Very high107 Ų10759 Ų5950%0.529%0.287SS..Hα-helixtrans-63.7-41.7174.9-71.6171.5-12.400111.2I273 S274 L279 Q280 E281I273-Q277 WeakPolarHBondContact O-CG 3.39Å; I273-Q277 PolarHBondContact O-N 3.07Å; S274-Q277 WeakPolarHBondContact O-CB 3.46Å; S274-Q277 PolarHBondContact O-N 3.03Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 3.48Å; Q277-Q280 WeakPolarHBondContact O-CB 3.49Å; Q277-Q280 PolarHBondContact O-N 3.33Å; Q277-E281 PolarHBondContact O-N 2.9Å
278A93.9Very high91.3Very high23 Ų2358.2 Ų58.219%0.1928%0.283CS..Hα-helixtrans-60.8-42.5173.200000111.7S274 E275 I276 Q280 E281 V282S274-A278 PolarHBondContact O-N 2.82Å; E275-A278 PolarHBondContact O-N 3.49Å; I276-A278 VanDerWaalsContact C-N 3.35Å; A278-Q280 PolarHBondContact O-N 3.05Å; A278-E281 PolarHBondContact O-N 3.27Å; A278-V282 VanDerWaalsContact O-CG2 3.28Å; A278-V282 WeakPolarHBondContact O-CG2 3.25Å; A278-V282 PolarHBondContact O-N 2.92Å
279L94.1Very high91.8Very high3 Ų354.4 Ų54.42%0.01627%0.272CS..Hα-helixtrans-57.8-47.7173.9-178.957000111.7V238 I241 V248 E275 I276 Q277 E281 V282 V283 V365 F374V238-L279 HydrophobicContact CB-CD1 4.41Å; V238-L279 HydrophobicContact CG1-CD1 3.79Å; V238-L279 HydrophobicContact CG2-CD1 3.92Å; I241-L279 HydrophobicContact CD1-CD2 4.31Å; V248-L279 HydrophobicContact CG1-CD2 4.12Å; V248-L279 HydrophobicContact CG1-CG 4.34Å; E275-L279 PolarHBondContact O-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.47Å; I276-L279 PolarHBondContact O-N 3.43Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 3.48Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 3.36Å; L279-V282 PolarHBondContact O-N 2.92Å; L279-V283 HydrophobicContact CD1-CG2 4.1Å; L279-V283 HydrophobicContact CG-CG2 4.45Å; L279-V283 WeakPolarHBondContact O-CB 3.21Å; L279-V283 VanDerWaalsContact O-CG2 3.25Å; L279-V283 WeakPolarHBondContact O-CG2 2.92Å; L279-V283 PolarHBondContact O-N 3.34Å; L279-V365 HydrophobicContact CB-CG2 3.69Å; L279-V365 HydrophobicContact CD1-CG2 4.17Å; L279-V365 HydrophobicContact CG-CG2 4.43Å; L279-F374 HydrophobicContact CD2-CE2 3.9Å; L279-F374 HydrophobicContact CD2-CZ 3.92Å
280Q92.8Very high92.1Very high44 Ų4463.3 Ų63.321%0.20630%0.303CS..Hα-helixtrans-59.4-43.1178.1-73165.9-2.300111.8V248 S250 I276 Q277 A278 V283 T284V248-Q280 HydrophobicContact CB-CG 4.19Å; V248-Q280 HydrophobicContact CG2-CG 3.91Å; V248-Q280 WeakPolarHBondContact O-CG 3.38Å; V248-Q280 PolarHBondContact O-NE2 2.78Å; S250-Q280 PolarHBondContact OG-NE2 3.48Å; I276-Q280 WeakPolarHBondContact O-CG 3.45Å; I276-Q280 PolarHBondContact O-N 3.32Å; Q277-Q280 WeakPolarHBondContact O-CB 3.49Å; Q277-Q280 PolarHBondContact O-N 3.33Å; A278-Q280 PolarHBondContact O-N 3.05Å; Q280-V283 PolarHBondContact O-N 3.48Å; Q280-T284 VanDerWaalsContact O-CB 3.31Å; Q280-T284 WeakPolarHBondContact O-CB 3.14Å; Q280-T284 PolarHBondContact O-N 2.8Å; Q280-T284 PolarHBondContact O-OG1 2.92Å
281E93.8Very high92.5Very high104 Ų10459.6 Ų59.649%0.48628%0.283SS..Hα-helixtrans-62.9-47.7178.6-173178.7-17500111.1Q277 A278 L279 V283 T284 R285Q277-E281 PolarHBondContact O-N 2.9Å; A278-E281 PolarHBondContact O-N 3.27Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 3.36Å; E281-V283 PolarHBondContact O-N 2.89Å; E281-T284 PolarHBondContact O-N 3.38Å; E281-R285 WeakPolarHBondContact O-CG 3.32Å; E281-R285 PolarHBondContact O-N 3.13Å; E281-R285 IonicContact OE1-CZ 2.7Å; E281-R285 IonicContact OE1-NE 2.75Å; E281-R285 PolarHBondContact OE1-NE 3.48Å; E281-R285 IonicContact OE1-NH2 3.97Å; E281-R285 PolarHBondContact OE1-NH2 3.34Å
282V94Very high92.6Very high6 Ų656.3 Ų56.34%0.03627%0.265CS..Hα-helixtrans-56.9-51.4176.5172.60000110.8V238 A278 L279 T284 R285 F286 A361 L362V238-V282 HydrophobicContact CG1-CG1 3.93Å; A278-V282 VanDerWaalsContact O-CG2 3.28Å; A278-V282 WeakPolarHBondContact O-CG2 3.25Å; A278-V282 PolarHBondContact O-N 2.92Å; L279-V282 PolarHBondContact O-N 2.92Å; V282-T284 VanDerWaalsContact C-N 3.27Å; V282-T284 PolarHBondContact O-N 3.45Å; V282-R285 PolarHBondContact O-N 3.39Å; V282-F286 HydrophobicContact CG1-CD2 3.91Å; V282-F286 HydrophobicContact CG1-CE2 3.83Å; V282-F286 VanDerWaalsContact O-CD2 3.31Å; V282-F286 WeakPolarHBondContact O-CD2 3.46Å; V282-F286 PolarHBondContact O-N 3.31Å; V282-F286 VanDerWaalsContact O-N 3.1Å; V282-A361 HydrophobicContact CG2-CB 3.83Å; V282-A361 VanDerWaalsContact CG2-O 3.3Å; V282-A361 WeakPolarHBondContact CG2-O 3.44Å; V282-L362 HydrophobicContact CG1-CD2 4Å
283V92.8Very high92.6Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-59.8-39.9179.61690000111.2I241 A242 V248 L279 Q280 E281 F286 R287I241-V283 HydrophobicContact CG2-CG2 3.61Å; A242-V283 HydrophobicContact CB-CG2 4.45Å; V248-V283 HydrophobicContact CG2-CB 4.45Å; V248-V283 HydrophobicContact CG2-CG1 4.26Å; L279-V283 HydrophobicContact CD1-CG2 4.1Å; L279-V283 HydrophobicContact CG-CG2 4.45Å; L279-V283 WeakPolarHBondContact O-CB 3.21Å; L279-V283 VanDerWaalsContact O-CG2 3.25Å; L279-V283 WeakPolarHBondContact O-CG2 2.92Å; L279-V283 PolarHBondContact O-N 3.34Å; Q280-V283 PolarHBondContact O-N 3.48Å; E281-V283 PolarHBondContact O-N 2.89Å; V283-F286 PolarHBondContact O-N 2.99Å; V283-R287 VanDerWaalsContact CG1-NH2 3.34Å; V283-R287 WeakPolarHBondContact O-CG 3.46Å; V283-R287 PolarHBondContact O-N 2.85Å
284T92.8Very high92.8Very high61 Ų6157.9 Ų57.937%0.37428%0.283SS..Hα-helixtrans-64.6-43.7177.8-600000111.7Q280 E281 V282 F286 R287 Q288Q280-T284 VanDerWaalsContact O-CB 3.31Å; Q280-T284 WeakPolarHBondContact O-CB 3.14Å; Q280-T284 PolarHBondContact O-N 2.8Å; Q280-T284 PolarHBondContact O-OG1 2.92Å; E281-T284 PolarHBondContact O-N 3.38Å; V282-T284 VanDerWaalsContact C-N 3.27Å; V282-T284 PolarHBondContact O-N 3.45Å; T284-F286 PolarHBondContact O-N 3.26Å; T284-R287 PolarHBondContact O-N 3.45Å; T284-Q288 HydrophobicContact CG2-CG 4.44Å; T284-Q288 VanDerWaalsContact O-CG 3.32Å; T284-Q288 WeakPolarHBondContact O-CG 3.26Å; T284-Q288 PolarHBondContact O-N 3.45Å
285R94.3Very high92.9Very high103 Ų10354.5 Ų54.539%0.38926%0.259SS..Hα-helixtrans-60.5-42.7176.5-69.3176.3-174.6-172.32.4111.9E281 V282 Q288 L289 L358E281-R285 WeakPolarHBondContact O-CG 3.32Å; E281-R285 PolarHBondContact O-N 3.13Å; E281-R285 IonicContact OE1-CZ 2.7Å; E281-R285 IonicContact OE1-NE 2.75Å; E281-R285 PolarHBondContact OE1-NE 3.48Å; E281-R285 IonicContact OE1-NH2 3.97Å; E281-R285 PolarHBondContact OE1-NH2 3.34Å; V282-R285 PolarHBondContact O-N 3.39Å; R285-Q288 PolarHBondContact O-N 3.19Å; R285-L289 PolarHBondContact O-N 3.34Å; R285-L358 HydrophobicContact CB-CD2 3.9Å
286F93.8Very high93Very high2 Ų253.1 Ų53.11%0.00925%0.252CS..Hα-helixtrans-63.4-42.5174.7-84-74.8000112.4L239 A242 V282 V283 T284 Q288 L289 R290 L291 L299 L358 L362L239-F286 HydrophobicContact CD2-CD1 4.48Å; L239-F286 HydrophobicContact CD2-CE1 3.79Å; L239-F286 HydrophobicContact CD2-CE2 4.25Å; L239-F286 HydrophobicContact CD2-CZ 3.66Å; A242-F286 HydrophobicContact CB-CB 3.83Å; A242-F286 HydrophobicContact CB-CD2 4.32Å; A242-F286 HydrophobicContact CB-CG 4.15Å; V282-F286 HydrophobicContact CG1-CD2 3.91Å; V282-F286 HydrophobicContact CG1-CE2 3.83Å; V282-F286 VanDerWaalsContact O-CD2 3.31Å; V282-F286 WeakPolarHBondContact O-CD2 3.46Å; V282-F286 PolarHBondContact O-N 3.31Å; V282-F286 VanDerWaalsContact O-N 3.1Å; V283-F286 PolarHBondContact O-N 2.99Å; T284-F286 PolarHBondContact O-N 3.26Å; F286-Q288 PolarHBondContact O-N 3.25Å; F286-L289 PolarHBondContact O-N 3.37Å; F286-R290 PolarHBondContact O-N 2.8Å; F286-L291 HydrophobicContact CD1-CD1 4.07Å; F286-L291 HydrophobicContact CD1-CD2 3.71Å; F286-L291 HydrophobicContact CE1-CD2 3.96Å; F286-L299 HydrophobicContact CE1-CD1 3.85Å; F286-L358 HydrophobicContact CD1-CD1 3.92Å; F286-L358 HydrophobicContact CD2-CD1 4.33Å; F286-L358 HydrophobicContact CE1-CB 4.17Å; F286-L358 HydrophobicContact CE1-CD1 3.82Å; F286-L358 HydrophobicContact CE2-CB 4.03Å; F286-L358 HydrophobicContact CE2-CD1 4.23Å; F286-L358 HydrophobicContact CG-CD1 4.18Å; F286-L358 HydrophobicContact CZ-CB 3.63Å; F286-L358 HydrophobicContact CZ-CD1 3.98Å; F286-L358 HydrophobicContact CZ-CG 4.46Å; F286-L362 HydrophobicContact CE2-CD2 3.56Å; F286-L362 HydrophobicContact CE2-CG 4.29Å; F286-L362 HydrophobicContact CZ-CD2 3.99Å; F286-L362 HydrophobicContact CZ-CG 4.42Å
287R90Very high93.2Very high103 Ų10353.6 Ų53.639%0.38926%0.257SS..Hα-helixtrans-64.1-38.4177.4-72.5175.8-173.5162.73.8112.5I246 V283 T284 L289 R290I246-R287 PolarHBondContact O-NH2 3.07Å; V283-R287 VanDerWaalsContact CG1-NH2 3.34Å; V283-R287 WeakPolarHBondContact O-CG 3.46Å; V283-R287 PolarHBondContact O-N 2.85Å; T284-R287 PolarHBondContact O-N 3.45Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.09Å; R287-R290 WeakPolarHBondContact O-CG 3.25Å; R287-R290 PolarHBondContact O-N 2.63Å; R287-R290 VanDerWaalsContact O-N 3.17Å
288Q93.1Very high93.3Very high144 Ų14448.9 Ų48.967%0.67324%0.236SC*.Hα-helixtrans-63.9-36.7177.4-74.9172-7.700112.5T284 R285 F286 R290T284-Q288 HydrophobicContact CG2-CG 4.44Å; T284-Q288 VanDerWaalsContact O-CG 3.32Å; T284-Q288 WeakPolarHBondContact O-CG 3.26Å; T284-Q288 PolarHBondContact O-N 3.45Å; R285-Q288 PolarHBondContact O-N 3.19Å; F286-Q288 PolarHBondContact O-N 3.25Å; Q288-R290 PolarHBondContact O-N 3.24Å
289L92.8Very high93.5Very high40 Ų4047.8 Ų47.821%0.20923%0.227CC..Hα-helixtrans-75.1-11.6176.7-71.2-177.7000113.8R285 F286 R287 L291 R351 K354 L355 L358R285-L289 PolarHBondContact O-N 3.34Å; F286-L289 PolarHBondContact O-N 3.37Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.09Å; L289-L291 HydrophobicContact CB-CD1 3.47Å; L289-L291 VanDerWaalsContact CB-CD1 3.47Å; L289-L291 HydrophobicContact CD1-CD1 4.42Å; L289-L291 PolarHBondContact O-N 3.07Å; L289-R351 PolarHBondContact O-NH1 3.47Å; L289-R351 PolarHBondContact O-NH2 3.5Å; L289-K354 HydrophobicContact CD1-CB 4.5Å; L289-K354 HydrophobicContact CD2-CD 4.44Å; L289-L355 HydrophobicContact CD1-CD2 3.91Å; L289-L358 HydrophobicContact CD1-CD1 3.45Å; L289-L358 VanDerWaalsContact CD1-CD1 3.45Å; L289-L358 HydrophobicContact CD1-CG 4.42Å
290R91.6Very high93.6Very high214 Ų21448.1 Ų48.181%0.80823%0.228SC*.THydrogen-bonded Turntrans47.362.9179.3-63.2-171.6175.7-163.4-0.6112F286 R287 Q288 R351F286-R290 PolarHBondContact O-N 2.8Å; R287-R290 WeakPolarHBondContact O-CG 3.25Å; R287-R290 PolarHBondContact O-N 2.63Å; R287-R290 VanDerWaalsContact O-N 3.17Å; Q288-R290 PolarHBondContact O-N 3.24Å; R290-R351 PolarHBondContact O-NH2 3.08Å
291L94.1Very high93.8Very high20 Ų2046.2 Ų46.211%0.10522%0.22CC..  trans-66.1141.2178.5-80.267.2000110.8F286 L289 E295 F296 L299 L355F286-L291 HydrophobicContact CD1-CD1 4.07Å; F286-L291 HydrophobicContact CD1-CD2 3.71Å; F286-L291 HydrophobicContact CE1-CD2 3.96Å; L289-L291 HydrophobicContact CB-CD1 3.47Å; L289-L291 VanDerWaalsContact CB-CD1 3.47Å; L289-L291 HydrophobicContact CD1-CD1 4.42Å; L289-L291 PolarHBondContact O-N 3.07Å; L291-E295 WeakPolarHBondContact CA-OE2 3.41Å; L291-E295 HydrophobicContact CB-CB 4.27Å; L291-E295 HydrophobicContact CD2-CB 4.38Å; L291-E295 HydrophobicContact CG-CB 4.23Å; L291-F296 HydrophobicContact CB-CD2 3.75Å; L291-F296 HydrophobicContact CB-CE1 4.47Å; L291-F296 HydrophobicContact CB-CE2 3.41Å; L291-F296 VanDerWaalsContact CB-CE2 3.41Å; L291-F296 HydrophobicContact CB-CG 4.4Å; L291-F296 HydrophobicContact CB-CZ 3.82Å; L291-F296 HydrophobicContact CD2-CD1 4.2Å; L291-F296 HydrophobicContact CD2-CE1 4.06Å; L291-F296 HydrophobicContact CD2-CE2 4.42Å; L291-F296 HydrophobicContact CD2-CG 4.44Å; L291-F296 HydrophobicContact CD2-CZ 4.17Å; L291-L299 HydrophobicContact CD2-CD1 3.43Å; L291-L299 VanDerWaalsContact CD2-CD1 3.43Å; L291-L355 HydrophobicContact CD1-CD2 3.61Å; L291-L355 HydrophobicContact CD2-CD2 3.81Å; L291-L355 HydrophobicContact CG-CD2 3.69Å
292D91.3Very high93.9Very high32 Ų3241.5 Ų41.517%0.17120%0.198CC..  trans-87.7173.9168.965.653.1000112.4T294 E295 F296 Y340 Y345D292-T294 VanDerWaalsContact C-N 3.27Å; D292-T294 PolarHBondContact O-N 2.99Å; D292-T294 WeakPolarHBondContact OD1-CA 3.29Å; D292-T294 WeakPolarHBondContact OD1-CB 3.29Å; D292-T294 PolarHBondContact OD1-N 3.17Å; D292-E295 PolarHBondContact N-OE2 3.38Å; D292-E295 PolarHBondContact O-N 3.28Å; D292-E295 WeakPolarHBondContact OD1-CG 3.5Å; D292-E295 PolarHBondContact OD1-N 2.85Å; D292-F296 VanDerWaalsContact O-CD2 3.24Å; D292-F296 WeakPolarHBondContact O-CD2 2.96Å; D292-F296 PolarHBondContact O-N 3.44Å; D292-Y340 WeakPolarHBondContact OD2-CE1 3.37Å; D292-Y340 PolarHBondContact OD2-OH 3.4Å; D292-Y340 VanDerWaalsContact OD2-OH 3.1Å; D292-Y345 WeakPolarHBondContact OD2-CE2 3.25Å; D292-Y345 PolarHBondContact OD2-OH 3.33Å
293A90.7Very high93.9Very high46 Ų4641.2 Ų41.238%0.3820%0.196SC..Hα-helixtrans-62.1-33.1-177.400000113.3A297A293-A297 WeakPolarHBondContact O-CB 3.33Å; A293-A297 PolarHBondContact O-N 3.28Å
294T91.9Very high94Very high46 Ų4641.4 Ų41.428%0.28220%0.197SC..Hα-helixtrans-71.3-44179.5-57.20000110.2D292 F296 A297 C298 Y340D292-T294 VanDerWaalsContact C-N 3.27Å; D292-T294 PolarHBondContact O-N 2.99Å; D292-T294 WeakPolarHBondContact OD1-CA 3.29Å; D292-T294 WeakPolarHBondContact OD1-CB 3.29Å; D292-T294 PolarHBondContact OD1-N 3.17Å; T294-F296 PolarHBondContact O-N 3.11Å; T294-A297 WeakPolarHBondContact O-CB 2.9Å; T294-A297 PolarHBondContact O-N 3.13Å; T294-C298 PolarHBondContact O-N 3.25Å; T294-C298 PolarHBondContact O-SG 3.46Å; T294-Y340 HydrophobicContact CG2-CD1 4.18Å; T294-Y340 HydrophobicContact CG2-CD2 3.77Å; T294-Y340 HydrophobicContact CG2-CE1 4.19Å; T294-Y340 HydrophobicContact CG2-CE2 3.76Å; T294-Y340 HydrophobicContact CG2-CG 3.98Å
295E95.8Very high94.1Very high0 Ų038.6 Ų38.60%018%0.18CC..Hα-helixtrans-61.1-44.8175.2-66176.6132.900111.6L291 D292 A297 C298 L299 L337 Y340 Y345 R351 L355L291-E295 WeakPolarHBondContact CA-OE2 3.41Å; L291-E295 HydrophobicContact CB-CB 4.27Å; L291-E295 HydrophobicContact CD2-CB 4.38Å; L291-E295 HydrophobicContact CG-CB 4.23Å; D292-E295 PolarHBondContact N-OE2 3.38Å; D292-E295 PolarHBondContact O-N 3.28Å; D292-E295 WeakPolarHBondContact OD1-CG 3.5Å; D292-E295 PolarHBondContact OD1-N 2.85Å; E295-A297 VanDerWaalsContact C-N 3.33Å; E295-A297 PolarHBondContact O-N 2.92Å; E295-C298 PolarHBondContact O-N 3.02Å; E295-L299 VanDerWaalsContact O-CG 3.31Å; E295-L299 WeakPolarHBondContact O-CG 3.25Å; E295-L299 PolarHBondContact O-N 2.97Å; E295-L337 HydrophobicContact CB-CD1 4.34Å; E295-L337 HydrophobicContact CG-CD1 4.1Å; E295-Y340 HydrophobicContact CG-CD1 4.17Å; E295-Y340 HydrophobicContact CG-CE1 4Å; E295-Y345 WeakPolarHBondContact OE1-CE2 3.42Å; E295-R351 IonicContact OE1-CZ 3.34Å; E295-R351 IonicContact OE1-NE 2.66Å; E295-R351 PolarHBondContact OE1-NE 3.36Å; E295-R351 IonicContact OE1-NH2 3.2Å; E295-R351 PolarHBondContact OE1-NH2 3.31Å; E295-R351 IonicContact OE2-CZ 3.65Å; E295-R351 IonicContact OE2-NE 3.75Å; E295-R351 IonicContact OE2-NH2 2.73Å; E295-R351 PolarHBondContact OE2-NH2 2.94Å; E295-L355 HydrophobicContact CG-CD1 4.43Å
296F96.1Very high93.7Very high14 Ų1435.3 Ų35.36%0.06117%0.168CC..Hα-helixtrans-59.9-41.4173.9-84.6-67.1000112.4L239 A242 Q243 L291 D292 T294 L299 K300L239-F296 HydrophobicContact CD2-CD1 4.5Å; A242-F296 HydrophobicContact CB-CE1 4.4Å; Q243-F296 HydrophobicContact CB-CD1 3.93Å; Q243-F296 HydrophobicContact CB-CD2 4.18Å; Q243-F296 HydrophobicContact CB-CE1 3.76Å; Q243-F296 HydrophobicContact CB-CE2 4.02Å; Q243-F296 HydrophobicContact CB-CG 4.15Å; Q243-F296 HydrophobicContact CB-CZ 3.81Å; Q243-F296 HydrophobicContact CG-CD1 4.33Å; Q243-F296 HydrophobicContact CG-CD2 3.84Å; Q243-F296 HydrophobicContact CG-CE1 4.47Å; Q243-F296 HydrophobicContact CG-CE2 3.98Å; Q243-F296 HydrophobicContact CG-CG 4.03Å; Q243-F296 HydrophobicContact CG-CZ 4.3Å; L291-F296 HydrophobicContact CB-CD2 3.75Å; L291-F296 HydrophobicContact CB-CE1 4.47Å; L291-F296 HydrophobicContact CB-CE2 3.41Å; L291-F296 VanDerWaalsContact CB-CE2 3.41Å; L291-F296 HydrophobicContact CB-CG 4.4Å; L291-F296 HydrophobicContact CB-CZ 3.82Å; L291-F296 HydrophobicContact CD2-CD1 4.2Å; L291-F296 HydrophobicContact CD2-CE1 4.06Å; L291-F296 HydrophobicContact CD2-CE2 4.42Å; L291-F296 HydrophobicContact CD2-CG 4.44Å; L291-F296 HydrophobicContact CD2-CZ 4.17Å; D292-F296 VanDerWaalsContact O-CD2 3.24Å; D292-F296 WeakPolarHBondContact O-CD2 2.96Å; D292-F296 PolarHBondContact O-N 3.44Å; T294-F296 PolarHBondContact O-N 3.11Å; F296-L299 PolarHBondContact O-N 3.07Å; F296-K300 WeakPolarHBondContact O-CB 3.42Å; F296-K300 VanDerWaalsContact O-CG 3.23Å; F296-K300 WeakPolarHBondContact O-CG 3.44Å; F296-K300 PolarHBondContact O-N 2.7Å
297A94.9Very high92.8Very high14 Ų1436.4 Ų36.412%0.11618%0.178CC..Hα-helixtrans-62.8-46.5177.700000111.5A293 T294 E295 K300 C301A293-A297 WeakPolarHBondContact O-CB 3.33Å; A293-A297 PolarHBondContact O-N 3.28Å; T294-A297 WeakPolarHBondContact O-CB 2.9Å; T294-A297 PolarHBondContact O-N 3.13Å; E295-A297 VanDerWaalsContact C-N 3.33Å; E295-A297 PolarHBondContact O-N 2.92Å; A297-K300 PolarHBondContact O-N 3.5Å; A297-C301 PolarHBondContact O-N 2.86Å; A297-C301 PolarHBondContact O-SG 3.49Å; A297-C301 VanDerWaalsContact O-SG 3.41Å
298C96.1Very high91.5Very high8 Ų834.2 Ų34.25%0.05418%0.182CC..Hα-helixtrans-61.1-46.1176.4-69.60000112.1T294 E295 K300 C301 I302 L337T294-C298 PolarHBondContact O-N 3.25Å; T294-C298 PolarHBondContact O-SG 3.46Å; E295-C298 PolarHBondContact O-N 3.02Å; C298-K300 VanDerWaalsContact C-N 3.32Å; C298-K300 PolarHBondContact O-N 3.33Å; C298-C301 WeakPolarHBondContact O-CB 2.95Å; C298-C301 PolarHBondContact O-N 3.29Å; C298-C301 VanDerWaalsContact O-N 3.15Å; C298-I302 VanDerWaalsContact O-CG1 3.3Å; C298-I302 WeakPolarHBondContact O-CG1 3.29Å; C298-I302 PolarHBondContact O-N 3.12Å; C298-L337 HydrophobicContact CB-CB 3.86Å; C298-L337 HydrophobicContact CB-CD1 3.91Å; C298-L337 HydrophobicContact CB-CD2 4.41Å; C298-L337 HydrophobicContact CB-CG 4.26Å
299L97.3Very high89.6Confident0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-63-39.3177.9-66.4179000112L239 F286 L291 E295 F296 C301 I302 V303 L337 L355 L359L239-L299 HydrophobicContact CD1-CB 4.26Å; F286-L299 HydrophobicContact CE1-CD1 3.85Å; L291-L299 HydrophobicContact CD2-CD1 3.43Å; L291-L299 VanDerWaalsContact CD2-CD1 3.43Å; E295-L299 VanDerWaalsContact O-CG 3.31Å; E295-L299 WeakPolarHBondContact O-CG 3.25Å; E295-L299 PolarHBondContact O-N 2.97Å; F296-L299 PolarHBondContact O-N 3.07Å; L299-C301 VanDerWaalsContact C-N 3.34Å; L299-C301 PolarHBondContact O-N 2.94Å; L299-I302 HydrophobicContact CD2-CD1 4.31Å; L299-I302 PolarHBondContact O-N 3.35Å; L299-V303 WeakPolarHBondContact O-CG1 3.48Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.4Å; L299-L337 HydrophobicContact CD2-CD2 3.86Å; L299-L355 HydrophobicContact CD1-CD2 4.46Å; L299-L355 HydrophobicContact CD2-CB 4.24Å; L299-L359 HydrophobicContact CB-CD2 4.43Å; L299-L359 HydrophobicContact CD2-CD2 3.92Å; L299-L359 HydrophobicContact CD2-CG 4.42Å
300K96.3Very high87.5Confident9 Ų936.5 Ų36.54%0.03921%0.209CC..Hα-helixtrans-60.7-42.5173.2-73.1176.1-173.8178.30111.6W210 L236 L239 Q243 F296 A297 C298 V303 T304W210-K300 HydrophobicContact CD2-CD 4.12Å; W210-K300 HydrophobicContact CE3-CB 4.31Å; W210-K300 HydrophobicContact CE3-CD 4.19Å; W210-K300 HydrophobicContact CH2-CB 3.25Å; W210-K300 HydrophobicContact CH2-CD 4.31Å; W210-K300 HydrophobicContact CH2-CG 4.41Å; W210-K300 HydrophobicContact CZ2-CB 3.7Å; W210-K300 HydrophobicContact CZ2-CD 4.2Å; W210-K300 HydrophobicContact CZ3-CB 3.6Å; W210-K300 HydrophobicContact CZ3-CD 4.3Å; W210-K300 HydrophobicContact CZ3-CG 4.49Å; L236-K300 HydrophobicContact CD2-CB 3.74Å; L236-K300 HydrophobicContact CD2-CD 4.43Å; L236-K300 HydrophobicContact CD2-CG 3.77Å; L239-K300 HydrophobicContact CD1-CG 4.03Å; Q243-K300 VanDerWaalsContact OE1-CE 3.3Å; F296-K300 WeakPolarHBondContact O-CB 3.42Å; F296-K300 VanDerWaalsContact O-CG 3.23Å; F296-K300 WeakPolarHBondContact O-CG 3.44Å; F296-K300 PolarHBondContact O-N 2.7Å; A297-K300 PolarHBondContact O-N 3.5Å; C298-K300 VanDerWaalsContact C-N 3.32Å; C298-K300 PolarHBondContact O-N 3.33Å; K300-V303 VanDerWaalsContact O-CG2 3.32Å; K300-V303 WeakPolarHBondContact O-CG2 3.42Å; K300-V303 PolarHBondContact O-N 3.5Å; K300-T304 VanDerWaalsContact O-CB 3.27Å; K300-T304 WeakPolarHBondContact O-CB 3.03Å; K300-T304 PolarHBondContact O-N 2.93Å; K300-T304 PolarHBondContact O-OG1 2.88Å
301C96.1Very high85.1Confident5 Ų532.3 Ų32.33%0.03421%0.207CC..Hα-helixtrans-61.1-47.8174.1-70.80000111.3A297 C298 L299 V303 T304 F305 A333A297-C301 PolarHBondContact O-N 2.86Å; A297-C301 PolarHBondContact O-SG 3.49Å; A297-C301 VanDerWaalsContact O-SG 3.41Å; C298-C301 WeakPolarHBondContact O-CB 2.95Å; C298-C301 PolarHBondContact O-N 3.29Å; C298-C301 VanDerWaalsContact O-N 3.15Å; L299-C301 VanDerWaalsContact C-N 3.34Å; L299-C301 PolarHBondContact O-N 2.94Å; C301-V303 VanDerWaalsContact C-N 3.33Å; C301-V303 PolarHBondContact O-N 2.96Å; C301-T304 PolarHBondContact O-N 2.95Å; C301-T304 VanDerWaalsContact O-N 3.1Å; C301-F305 HydrophobicContact CB-CD2 4Å; C301-F305 HydrophobicContact CB-CE2 3.93Å; C301-F305 VanDerWaalsContact O-CD2 3.23Å; C301-F305 WeakPolarHBondContact O-CD2 3.22Å; C301-F305 PolarHBondContact O-N 2.8Å; C301-A333 HydrophobicContact CB-CB 3.7Å
302I95.8Very high82.6Confident4 Ų440.9 Ų40.92%0.02125%0.246CC..Hα-helixtrans-59.4-42.5180-66.1162.8000111.5C298 L299 T304 Q330 A333 Q334 L337 L356 L359C298-I302 VanDerWaalsContact O-CG1 3.3Å; C298-I302 WeakPolarHBondContact O-CG1 3.29Å; C298-I302 PolarHBondContact O-N 3.12Å; L299-I302 HydrophobicContact CD2-CD1 4.31Å; L299-I302 PolarHBondContact O-N 3.35Å; I302-T304 VanDerWaalsContact C-N 3.34Å; I302-Q330 HydrophobicContact CG2-CG 4.41Å; I302-Q330 PolarHBondContact O-NE2 2.63Å; I302-A333 HydrophobicContact CG1-CB 3.76Å; I302-Q334 HydrophobicContact CD1-CG 3.89Å; I302-Q334 HydrophobicContact CG1-CG 3.95Å; I302-L337 HydrophobicContact CD1-CD2 4Å; I302-L356 HydrophobicContact CD1-CD2 4.03Å; I302-L359 HydrophobicContact CB-CD1 4.43Å; I302-L359 HydrophobicContact CG2-CD1 3.57Å
303V95.4Very high80.3Confident1 Ų143.1 Ų43.11%0.00628%0.277CS..Hα-helixtrans-76.5-21.4178.6-57.90000113.5A232 E235 L236 L239 L299 K300 C301 K306 L359 L362A232-V303 WeakPolarHBondContact CB-O 3.26Å; E235-V303 HydrophobicContact CB-CB 4.16Å; E235-V303 HydrophobicContact CB-CG1 4.4Å; E235-V303 HydrophobicContact CB-CG2 4.26Å; L236-V303 HydrophobicContact CD2-CG2 3.84Å; L236-V303 HydrophobicContact CG-CG2 4.22Å; L239-V303 HydrophobicContact CD1-CG1 4.32Å; L239-V303 HydrophobicContact CD1-CG2 3.88Å; L299-V303 WeakPolarHBondContact O-CG1 3.48Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.4Å; K300-V303 VanDerWaalsContact O-CG2 3.32Å; K300-V303 WeakPolarHBondContact O-CG2 3.42Å; K300-V303 PolarHBondContact O-N 3.5Å; C301-V303 VanDerWaalsContact C-N 3.33Å; C301-V303 PolarHBondContact O-N 2.96Å; V303-K306 WeakPolarHBondContact O-CD 3.32Å; V303-K306 VanDerWaalsContact O-CE 3.26Å; V303-K306 WeakPolarHBondContact O-CE 3.45Å; V303-K306 PolarHBondContact O-NZ 2.94Å; V303-L359 HydrophobicContact CG1-CD2 3.67Å; V303-L362 HydrophobicContact CG1-CD1 3.95Å
304T94.9Very high77.8Confident3 Ų344.9 Ų44.92%0.01830%0.3CS..Hα-helixtrans-83.4-49.1179.3-57.40000111.3F217 L228 K300 C301 I302 K306F217-T304 HydrophobicContact CD2-CG2 3.89Å; F217-T304 HydrophobicContact CE2-CG2 3.84Å; L228-T304 HydrophobicContact CB-CG2 4.48Å; L228-T304 VanDerWaalsContact CD2-O 3.24Å; L228-T304 WeakPolarHBondContact CD2-O 3.49Å; K300-T304 VanDerWaalsContact O-CB 3.27Å; K300-T304 WeakPolarHBondContact O-CB 3.03Å; K300-T304 PolarHBondContact O-N 2.93Å; K300-T304 PolarHBondContact O-OG1 2.88Å; C301-T304 PolarHBondContact O-N 2.95Å; C301-T304 VanDerWaalsContact O-N 3.1Å; I302-T304 VanDerWaalsContact C-N 3.34Å; T304-K306 PolarHBondContact O-N 2.81Å
305F93.8Very high75.4Confident2 Ų247.2 Ų47.21%0.00932%0.318CS..  trans-80.761.4-178.4-59.2-56.3000111.2V214 A216 F217 L220 L228 C301 I326 L329 Q330V214-F305 HydrophobicContact CG1-CZ 4.29Å; A216-F305 HydrophobicContact CB-CZ 4.32Å; F217-F305 HydrophobicContact CB-CE1 4.03Å; F217-F305 HydrophobicContact CB-CZ 3.96Å; F217-F305 AromaticContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CZ 4.43Å; F217-F305 HydrophobicContact CG-CE1 4.46Å; L220-F305 HydrophobicContact CD1-CD1 4.35Å; L220-F305 HydrophobicContact CD1-CE1 4.03Å; L228-F305 HydrophobicContact CD1-CD1 4.38Å; C301-F305 HydrophobicContact CB-CD2 4Å; C301-F305 HydrophobicContact CB-CE2 3.93Å; C301-F305 VanDerWaalsContact O-CD2 3.23Å; C301-F305 WeakPolarHBondContact O-CD2 3.22Å; C301-F305 PolarHBondContact O-N 2.8Å; F305-I326 HydrophobicContact CB-CG2 4.23Å; F305-L329 HydrophobicContact CB-CB 4.24Å; F305-L329 HydrophobicContact CD1-CB 4.13Å; F305-L329 HydrophobicContact CD1-CD1 4.01Å; F305-L329 HydrophobicContact CD2-CB 3.96Å; F305-L329 HydrophobicContact CE1-CB 4.5Å; F305-L329 HydrophobicContact CE1-CD1 3.82Å; F305-L329 HydrophobicContact CE2-CB 4.35Å; F305-L329 HydrophobicContact CG-CB 3.85Å; F305-L329 HydrophobicContact CZ-CD1 4.21Å; F305-Q330 HydrophobicContact CB-CB 4.16Å; F305-Q330 WeakPolarHBondContact O-CB 3.41Å; F305-Q330 VanDerWaalsContact O-CG 3.27Å; F305-Q330 WeakPolarHBondContact O-CG 3.28Å; F305-Q330 PolarHBondContact O-NE2 3.41Å
306K86.4Confident73.1Confident34 Ų3456.9 Ų56.915%0.14836%0.363CS..  trans-92.5102.3174.2-70.9-179-177.1123.80109.5E235 V303 T304 A308 R363E235-K306 IonicContact OE1-NZ 3.63Å; E235-K306 PolarHBondContact OE1-NZ 3.14Å; E235-K306 IonicContact OE2-NZ 2.87Å; E235-K306 PolarHBondContact OE2-NZ 2.99Å; V303-K306 WeakPolarHBondContact O-CD 3.32Å; V303-K306 VanDerWaalsContact O-CE 3.26Å; V303-K306 WeakPolarHBondContact O-CE 3.45Å; V303-K306 PolarHBondContact O-NZ 2.94Å; T304-K306 PolarHBondContact O-N 2.81Å; K306-A308 PolarHBondContact O-N 3.03Å; K306-R363 VanDerWaalsContact CE-NH2 3.3Å
307A74.4Confident70.9Confident26 Ų2663.9 Ų63.922%0.21540%0.401CS..  trans-71.884.5162.400000107.8V309 A323 I326 A327A307-V309 PolarHBondContact O-N 3.44Å; A307-V309 VanDerWaalsContact O-N 3.13Å; A307-A323 WeakPolarHBondContact CB-O 3.28Å; A307-I326 HydrophobicContact CB-CB 4.35Å; A307-I326 HydrophobicContact CB-CG2 4.09Å; A307-A327 HydrophobicContact CB-CB 3.86Å
308A62.9Low69.4Low57 Ų5770 Ų7047%0.47142%0.421SS..  trans-60.8118.117200000108.6K306 F320K306-A308 PolarHBondContact O-N 3.03Å; A308-F320 HydrophobicContact CB-CE2 4.25Å
309V53.1Low68.1Low120 Ų12074.2 Ų74.273%0.72745%0.45SS*.  trans-69.7127.8166.1-179.30000106.4A307 T311A307-V309 PolarHBondContact O-N 3.44Å; A307-V309 VanDerWaalsContact O-N 3.13Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.42Å
310P49.7Very low67.3Low111 Ų11175 Ų7572%0.72145%0.453SS*.  trans-62.599.7173.223.3-29.7000108.4H312P310-H312 PolarHBondContact O-N 3.31Å
311T40.1Very low66.5Low126 Ų12683.9 Ų83.977%0.77349%0.487SS*.  trans-64.1119.7167.2450000107.2V309 G313V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.42Å; T311-G313 PolarHBondContact O-N 2.95Å
312H41.8Very low66Low200 Ų20086.8 Ų86.893%0.92650%0.502SS*.SBendtrans-39.1119.3-179.7-70.2-85000112.5P310P310-H312 PolarHBondContact O-N 3.31Å
313G42.2Very low65.6Low79 Ų7988.6 Ų88.681%0.81452%0.518SS*.SBendtrans132.183.4169.100000114.7T311T311-G313 PolarHBondContact O-N 2.95Å
314G39Very low65.2Low84 Ų8492.8 Ų92.887%0.86655%0.547SS*.SBendtrans104.88.5142.200000120.1
315S42.3Very low65Low94 Ų9494.1 Ų94.166%0.65756%0.558SS**  trans-137.282.1170.6-153.60000112.6L317S315-L317 PolarHBondContact O-N 3.17Å
316E46.4Very low64.9Low204 Ų20494 Ų9495%0.95356%0.558SS**THydrogen-bonded Turntrans-66.99.5178-63.8-157.3128.400114.9
317L50.8Low65.1Low161 Ų16194 Ų9484%0.84356%0.564SS**THydrogen-bonded Turntrans-113-6.4-169-154.765000115.6S315S315-L317 PolarHBondContact O-N 3.17Å
318R62.5Low65.9Low142 Ų14295.4 Ų95.454%0.53658%0.575SS.*  trans-120.868.7-178.5-68.1-176.9172.5-147.8-13.6111.4E230 D231E230-R318 IonicContact OE2-CZ 2.83Å; E230-R318 IonicContact OE2-NH1 2.81Å; E230-R318 IonicContact OE2-NH2 3.6Å; E230-R318 PolarHBondContact OE2-NH2 3.36Å; D231-R318 IonicContact OD1-NH1 3.55Å
319S69.6Low67.4Low96 Ų9694.2 Ų94.267%0.67156%0.561SS**  trans-104133.1171.7-170.60000110.1
320F79.3Confident69.4Low17 Ų1790.6 Ų90.68%0.07554%0.536CS..  trans-70.1138.7172.8-65-71000110D224 I227 L228 A308 N322 A323 I326D224-F320 HydrophobicContact CB-CD1 4.23Å; I227-F320 HydrophobicContact CB-CE1 3.92Å; I227-F320 HydrophobicContact CG2-CD1 4.37Å; I227-F320 HydrophobicContact CG2-CE1 3.46Å; I227-F320 VanDerWaalsContact CG2-CE1 3.46Å; I227-F320 HydrophobicContact CG2-CZ 3.69Å; L228-F320 HydrophobicContact CD2-CE1 3.7Å; L228-F320 HydrophobicContact CD2-CZ 3.84Å; L228-F320 HydrophobicContact CG-CE1 3.9Å; L228-F320 HydrophobicContact CG-CZ 4.5Å; A308-F320 HydrophobicContact CB-CE2 4.25Å; F320-N322 VanDerWaalsContact C-N 3.28Å; F320-N322 PolarHBondContact O-N 2.73Å; F320-A323 HydrophobicContact CB-CB 4.04Å; F320-I326 HydrophobicContact CB-CD1 3.95Å; F320-I326 HydrophobicContact CD1-CD1 3.47Å; F320-I326 VanDerWaalsContact CD1-CD1 3.47Å; F320-I326 HydrophobicContact CD2-CD1 4.47Å; F320-I326 HydrophobicContact CE1-CD1 4.05Å; F320-I326 HydrophobicContact CG-CD1 3.71Å
321R80.7Confident71.5Confident195 Ų19589.5 Ų89.574%0.73652%0.524SS*.THydrogen-bonded Turntrans-68.5-32.8174.3-64.1-176.7177.2-163.7-2111.6D224D224-R321 PolarHBondContact OD1-N 2.94Å; D224-R321 PolarHBondContact OD2-N 3.09Å
322N84.1Confident74Confident66 Ų6686.5 Ų86.535%0.35350%0.501SS..THydrogen-bonded Turntrans-132.262.3-180-161-9.3000112.2D224 F320 S324 A325 I326D224-N322 PolarHBondContact OD2-N 2.62Å; F320-N322 VanDerWaalsContact C-N 3.28Å; F320-N322 PolarHBondContact O-N 2.73Å; N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.27Å; N322-S324 PolarHBondContact OD1-OG 2.79Å; N322-A325 HydrophobicContact CB-CB 4.26Å; N322-A325 VanDerWaalsContact ND2-CB 3.29Å; N322-A325 WeakPolarHBondContact ND2-CB 3.48Å; N322-A325 PolarHBondContact O-N 3.26Å; N322-A325 WeakPolarHBondContact OD1-CB 3.43Å; N322-A325 PolarHBondContact OD1-N 2.96Å; N322-A325 VanDerWaalsContact OD1-N 3.15Å; N322-I326 WeakPolarHBondContact O-CG1 3.43Å; N322-I326 PolarHBondContact O-N 3.14Å; N322-I326 VanDerWaalsContact O-N 3.16Å
323A87.7Confident76.5Confident43 Ų4377 Ų7736%0.35546%0.458SS..Hα-helixtrans-57.6-36.6179.900000113.1A307 F320 I326 A327A307-A323 WeakPolarHBondContact CB-O 3.28Å; F320-A323 HydrophobicContact CB-CB 4.04Å; A323-I326 PolarHBondContact O-N 3.3Å; A323-A327 PolarHBondContact O-N 3.12Å
324S88.1Confident79Confident89 Ų8976.1 Ų76.162%0.62243%0.433SS*.Hα-helixtrans-67.6-42.6179.753.10000112.3N322 I326 A327 A328N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.27Å; N322-S324 PolarHBondContact OD1-OG 2.79Å; S324-I326 VanDerWaalsContact C-N 3.33Å; S324-I326 PolarHBondContact O-N 2.85Å; S324-A327 PolarHBondContact O-N 2.84Å; S324-A328 WeakPolarHBondContact O-CB 3.33Å; S324-A328 PolarHBondContact O-N 3.45Å
325A89.9Confident81.6Confident31 Ų3177.4 Ų77.426%0.25642%0.419SS..Hα-helixtrans-64.5-38.9174.300000111.7N322 A327 A328 L329N322-A325 HydrophobicContact CB-CB 4.26Å; N322-A325 VanDerWaalsContact ND2-CB 3.29Å; N322-A325 WeakPolarHBondContact ND2-CB 3.48Å; N322-A325 PolarHBondContact O-N 3.26Å; N322-A325 WeakPolarHBondContact OD1-CB 3.43Å; N322-A325 PolarHBondContact OD1-N 2.96Å; N322-A325 VanDerWaalsContact OD1-N 3.15Å; A325-A327 VanDerWaalsContact C-N 3.34Å; A325-A327 PolarHBondContact O-N 3.39Å; A325-A328 PolarHBondContact O-N 2.91Å; A325-L329 VanDerWaalsContact O-CG 3.3Å; A325-L329 WeakPolarHBondContact O-CG 3.42Å; A325-L329 PolarHBondContact O-N 3.13Å
326I91.7Very high84.1Confident0 Ų074.4 Ų74.40%040%0.397CS..Hα-helixtrans-63.2-42.5176.5-65.1165.7000110.7L220 D224 L228 F305 A307 F320 N322 A323 S324 L329 Q330L220-I326 HydrophobicContact CD1-CG1 4.22Å; L220-I326 HydrophobicContact CD2-CG1 4.31Å; D224-I326 HydrophobicContact CB-CD1 4.32Å; L228-I326 HydrophobicContact CD1-CD1 4.14Å; L228-I326 HydrophobicContact CD1-CG1 4.33Å; L228-I326 HydrophobicContact CD2-CD1 4.32Å; L228-I326 HydrophobicContact CD2-CG2 3.86Å; F305-I326 HydrophobicContact CB-CG2 4.23Å; A307-I326 HydrophobicContact CB-CB 4.35Å; A307-I326 HydrophobicContact CB-CG2 4.09Å; F320-I326 HydrophobicContact CB-CD1 3.95Å; F320-I326 HydrophobicContact CD1-CD1 3.47Å; F320-I326 VanDerWaalsContact CD1-CD1 3.47Å; F320-I326 HydrophobicContact CD2-CD1 4.47Å; F320-I326 HydrophobicContact CE1-CD1 4.05Å; F320-I326 HydrophobicContact CG-CD1 3.71Å; N322-I326 WeakPolarHBondContact O-CG1 3.43Å; N322-I326 PolarHBondContact O-N 3.14Å; N322-I326 VanDerWaalsContact O-N 3.16Å; A323-I326 PolarHBondContact O-N 3.3Å; S324-I326 VanDerWaalsContact C-N 3.33Å; S324-I326 PolarHBondContact O-N 2.85Å; I326-L329 PolarHBondContact O-N 3.42Å; I326-Q330 PolarHBondContact O-N 2.82Å; I326-Q330 VanDerWaalsContact O-N 3.08Å
327A91.1Very high86.4Confident33 Ų3364.7 Ų64.727%0.27335%0.351SS..Hα-helixtrans-61.5-46.2174.800000111.4A307 A323 S324 A325 L329 Q330 D331A307-A327 HydrophobicContact CB-CB 3.86Å; A323-A327 PolarHBondContact O-N 3.12Å; S324-A327 PolarHBondContact O-N 2.84Å; A325-A327 VanDerWaalsContact C-N 3.34Å; A325-A327 PolarHBondContact O-N 3.39Å; A327-L329 VanDerWaalsContact C-N 3.3Å; A327-L329 PolarHBondContact O-N 3.07Å; A327-Q330 WeakPolarHBondContact O-CA 3.46Å; A327-Q330 VanDerWaalsContact O-CB 3.25Å; A327-Q330 WeakPolarHBondContact O-CB 3.39Å; A327-Q330 PolarHBondContact O-N 3.44Å; A327-D331 PolarHBondContact O-N 3.44Å
328A91.3Very high88.5Confident55 Ų5559.3 Ų59.346%0.45532%0.324SS..Hα-helixtrans-60.2-38.4176.600000112.6S324 A325 Q330 D331 E332S324-A328 WeakPolarHBondContact O-CB 3.33Å; S324-A328 PolarHBondContact O-N 3.45Å; A325-A328 PolarHBondContact O-N 2.91Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 3.18Å; A328-D331 PolarHBondContact O-N 2.87Å; A328-E332 WeakPolarHBondContact O-CB 3.31Å; A328-E332 PolarHBondContact O-N 3.11Å
329L93.9Very high90Very high33 Ų3356 Ų5617%0.17332%0.322CS..Hα-helixtrans-65.4-32.2174-70.9177.6000112.6A216 L220 F305 A325 I326 A327 A333A216-L329 HydrophobicContact CB-CD1 4.2Å; A216-L329 HydrophobicContact CB-CD2 3.67Å; L220-L329 HydrophobicContact CD1-CD1 4.21Å; L220-L329 HydrophobicContact CD2-CD1 4.17Å; L220-L329 HydrophobicContact CG-CD1 4.42Å; F305-L329 HydrophobicContact CB-CB 4.24Å; F305-L329 HydrophobicContact CD1-CB 4.13Å; F305-L329 HydrophobicContact CD1-CD1 4.01Å; F305-L329 HydrophobicContact CD2-CB 3.96Å; F305-L329 HydrophobicContact CE1-CB 4.5Å; F305-L329 HydrophobicContact CE1-CD1 3.82Å; F305-L329 HydrophobicContact CE2-CB 4.35Å; F305-L329 HydrophobicContact CG-CB 3.85Å; F305-L329 HydrophobicContact CZ-CD1 4.21Å; A325-L329 VanDerWaalsContact O-CG 3.3Å; A325-L329 WeakPolarHBondContact O-CG 3.42Å; A325-L329 PolarHBondContact O-N 3.13Å; I326-L329 PolarHBondContact O-N 3.42Å; A327-L329 VanDerWaalsContact C-N 3.3Å; A327-L329 PolarHBondContact O-N 3.07Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 2.87Å; L329-A333 VanDerWaalsContact O-N 3.15Å
330Q95.1Very high91.1Very high44 Ų4454.2 Ų54.221%0.20630%0.301CS..Hα-helixtrans-68.2-46.9173.7-159178.64400111.5I302 F305 I326 A327 A328 E332 A333 Q334I302-Q330 HydrophobicContact CG2-CG 4.41Å; I302-Q330 PolarHBondContact O-NE2 2.63Å; F305-Q330 HydrophobicContact CB-CB 4.16Å; F305-Q330 WeakPolarHBondContact O-CB 3.41Å; F305-Q330 VanDerWaalsContact O-CG 3.27Å; F305-Q330 WeakPolarHBondContact O-CG 3.28Å; F305-Q330 PolarHBondContact O-NE2 3.41Å; I326-Q330 PolarHBondContact O-N 2.82Å; I326-Q330 VanDerWaalsContact O-N 3.08Å; A327-Q330 WeakPolarHBondContact O-CA 3.46Å; A327-Q330 VanDerWaalsContact O-CB 3.25Å; A327-Q330 WeakPolarHBondContact O-CB 3.39Å; A327-Q330 PolarHBondContact O-N 3.44Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 3.18Å; Q330-E332 VanDerWaalsContact C-N 3.32Å; Q330-E332 PolarHBondContact O-N 2.99Å; Q330-A333 WeakPolarHBondContact O-CB 3.42Å; Q330-A333 PolarHBondContact O-N 3.28Å; Q330-Q334 WeakPolarHBondContact O-CG 3.23Å; Q330-Q334 PolarHBondContact O-N 2.83Å
331D93.3Very high91.8Very high87 Ų8753.5 Ų53.547%0.46530%0.298SS..Hα-helixtrans-60.4-44.6178.2-67.1-22000110.4A327 A328 A333 Q334 L335A327-D331 PolarHBondContact O-N 3.44Å; A328-D331 PolarHBondContact O-N 2.87Å; D331-A333 VanDerWaalsContact C-N 3.31Å; D331-A333 PolarHBondContact O-N 2.87Å; D331-Q334 WeakPolarHBondContact O-CB 3.24Å; D331-Q334 PolarHBondContact O-N 3.22Å; D331-Q334 VanDerWaalsContact O-N 3.08Å; D331-L335 WeakPolarHBondContact O-CG 3.5Å; D331-L335 PolarHBondContact O-N 2.95Å
332E92.7Very high92.3Very high63 Ų6349.4 Ų49.429%0.29429%0.287SS..Hα-helixtrans-60-40.2176.4-172.366.5-173.900112L170 A328 Q330 Q334 L335 T336L170-E332 HydrophobicContact CD1-CB 4.33Å; L170-E332 HydrophobicContact CD1-CG 3.51Å; A328-E332 WeakPolarHBondContact O-CB 3.31Å; A328-E332 PolarHBondContact O-N 3.11Å; Q330-E332 VanDerWaalsContact C-N 3.32Å; Q330-E332 PolarHBondContact O-N 2.99Å; E332-Q334 VanDerWaalsContact C-N 3.34Å; E332-Q334 PolarHBondContact O-N 3.04Å; E332-L335 PolarHBondContact O-N 3.23Å; E332-T336 VanDerWaalsContact O-CB 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.42Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 3.2Å
333A94.6Very high92.8Very high2 Ų251.7 Ų51.72%0.01730%0.303CS..Hα-helixtrans-65.4-36.4175.800000112.3C301 I302 L329 Q330 D331 L337C301-A333 HydrophobicContact CB-CB 3.7Å; I302-A333 HydrophobicContact CG1-CB 3.76Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 2.87Å; L329-A333 VanDerWaalsContact O-N 3.15Å; Q330-A333 WeakPolarHBondContact O-CB 3.42Å; Q330-A333 PolarHBondContact O-N 3.28Å; D331-A333 VanDerWaalsContact C-N 3.31Å; D331-A333 PolarHBondContact O-N 2.87Å; A333-L337 WeakPolarHBondContact O-CB 3.39Å; A333-L337 PolarHBondContact O-N 3.48Å; A333-L337 VanDerWaalsContact O-N 3.09Å
334Q95.1Very high93Very high60 Ų6057 Ų5728%0.2831%0.314SS..Hα-helixtrans-69.3-45.2174.7-67.7-176.18.900112I302 Q330 D331 E332 T336 L337 N338 F352I302-Q334 HydrophobicContact CD1-CG 3.89Å; I302-Q334 HydrophobicContact CG1-CG 3.95Å; Q330-Q334 WeakPolarHBondContact O-CG 3.23Å; Q330-Q334 PolarHBondContact O-N 2.83Å; D331-Q334 WeakPolarHBondContact O-CB 3.24Å; D331-Q334 PolarHBondContact O-N 3.22Å; D331-Q334 VanDerWaalsContact O-N 3.08Å; E332-Q334 VanDerWaalsContact C-N 3.34Å; E332-Q334 PolarHBondContact O-N 3.04Å; Q334-T336 VanDerWaalsContact C-N 3.33Å; Q334-T336 PolarHBondContact O-N 2.97Å; Q334-L337 PolarHBondContact O-N 3.17Å; Q334-N338 WeakPolarHBondContact O-CB 3.47Å; Q334-N338 PolarHBondContact O-N 2.89Å; Q334-F352 HydrophobicContact CB-CZ 4.42Å; Q334-F352 WeakPolarHBondContact O-CE2 3.49Å
335L93.9Very high93.2Very high111 Ų11154.7 Ų54.758%0.58129%0.292SS*.Hα-helixtrans-61-44177.1-70.7174.8000111.2D331 E332 L337 N338 S339D331-L335 WeakPolarHBondContact O-CG 3.5Å; D331-L335 PolarHBondContact O-N 2.95Å; E332-L335 PolarHBondContact O-N 3.23Å; L335-L337 PolarHBondContact O-N 3.48Å; L335-N338 PolarHBondContact O-N 3.4Å; L335-S339 WeakPolarHBondContact O-CB 3.39Å; L335-S339 PolarHBondContact O-N 3.47Å
336T93.9Very high93.3Very high30 Ų3057.8 Ų57.818%0.18431%0.31CS..Hα-helixtrans-59.3-47.3175.8-60.20000111.1E332 Q334 N338 S339 Y340E332-T336 VanDerWaalsContact O-CB 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.42Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 3.2Å; Q334-T336 VanDerWaalsContact C-N 3.33Å; Q334-T336 PolarHBondContact O-N 2.97Å; T336-N338 PolarHBondContact O-N 2.92Å; T336-S339 PolarHBondContact O-N 3.06Å; T336-Y340 VanDerWaalsContact O-CB 3.31Å; T336-Y340 WeakPolarHBondContact O-CB 3.42Å; T336-Y340 PolarHBondContact O-N 3Å
337L94.6Very high93.4Very high0 Ų063.7 Ų63.70%035%0.345CS..Hα-helixtrans-61.3-44.8177.5-178.558.8000111.7E295 C298 L299 I302 A333 Q334 L335 Y340 I341 F352 L355E295-L337 HydrophobicContact CB-CD1 4.34Å; E295-L337 HydrophobicContact CG-CD1 4.1Å; C298-L337 HydrophobicContact CB-CB 3.86Å; C298-L337 HydrophobicContact CB-CD1 3.91Å; C298-L337 HydrophobicContact CB-CD2 4.41Å; C298-L337 HydrophobicContact CB-CG 4.26Å; L299-L337 HydrophobicContact CD2-CD2 3.86Å; I302-L337 HydrophobicContact CD1-CD2 4Å; A333-L337 WeakPolarHBondContact O-CB 3.39Å; A333-L337 PolarHBondContact O-N 3.48Å; A333-L337 VanDerWaalsContact O-N 3.09Å; Q334-L337 PolarHBondContact O-N 3.17Å; L335-L337 PolarHBondContact O-N 3.48Å; L337-Y340 PolarHBondContact O-N 3.22Å; L337-I341 HydrophobicContact CD1-CD1 3.77Å; L337-I341 HydrophobicContact CD1-CG1 4.19Å; L337-I341 HydrophobicContact CG-CD1 3.81Å; L337-I341 WeakPolarHBondContact O-CB 3.35Å; L337-I341 VanDerWaalsContact O-CG1 3.26Å; L337-I341 WeakPolarHBondContact O-CG1 3.44Å; L337-I341 PolarHBondContact O-N 3.46Å; L337-F352 HydrophobicContact CB-CD2 4.42Å; L337-F352 HydrophobicContact CB-CE2 4.24Å; L337-F352 HydrophobicContact CD2-CD2 4.15Å; L337-F352 HydrophobicContact CD2-CE2 4.18Å; L337-F352 HydrophobicContact CG-CD2 4.01Å; L337-F352 HydrophobicContact CG-CE2 4.22Å; L337-L355 HydrophobicContact CD1-CD1 4.17Å; L337-L355 HydrophobicContact CD2-CD1 4.35Å
338N95.4Very high93.5Very high49 Ų4965.9 Ų65.926%0.26235%0.35SS..Hα-helixtrans-62.3-48-179.9-169.950.9000111.4Q334 L335 T336 Y340 I341 H342 F352Q334-N338 WeakPolarHBondContact O-CB 3.47Å; Q334-N338 PolarHBondContact O-N 2.89Å; L335-N338 PolarHBondContact O-N 3.4Å; T336-N338 PolarHBondContact O-N 2.92Å; N338-Y340 PolarHBondContact O-N 3.37Å; N338-I341 PolarHBondContact O-N 3.32Å; N338-H342 PolarHBondContact O-CD2 3.37Å; N338-H342 PolarHBondContact O-N 3.25Å; N338-H342 PolarHBondContact OD1-NE2 3.02Å; N338-F352 HydrophobicContact CB-CD2 3.8Å; N338-F352 HydrophobicContact CB-CE2 3.72Å; N338-F352 HydrophobicContact CB-CG 4.24Å; N338-F352 HydrophobicContact CB-CZ 4.08Å; N338-F352 WeakPolarHBondContact OD1-CG 3.38Å
339S93.3Very high93.4Very high71 Ų7167.7 Ų67.750%0.49736%0.357SS..Hα-helixtrans-60.2-44.4176.9-175.90000112.1L335 T336 I341 H342 T343L335-S339 WeakPolarHBondContact O-CB 3.39Å; L335-S339 PolarHBondContact O-N 3.47Å; T336-S339 PolarHBondContact O-N 3.06Å; S339-I341 PolarHBondContact O-N 3.48Å; S339-H342 PolarHBondContact O-N 2.95Å; S339-T343 PolarHBondContact O-N 2.8Å; S339-T343 VanDerWaalsContact O-N 3.08Å; S339-T343 PolarHBondContact O-OG1 3.16Å
340Y93.4Very high93.4Very high60 Ų6070.1 Ų70.124%0.23538%0.376CS..Hα-helixtrans-59.7-46.4176.5-179.2-99000111.8D292 T294 E295 T336 L337 N338 T343 R344 Y345D292-Y340 WeakPolarHBondContact OD2-CE1 3.37Å; D292-Y340 PolarHBondContact OD2-OH 3.4Å; D292-Y340 VanDerWaalsContact OD2-OH 3.1Å; T294-Y340 HydrophobicContact CG2-CD1 4.18Å; T294-Y340 HydrophobicContact CG2-CD2 3.77Å; T294-Y340 HydrophobicContact CG2-CE1 4.19Å; T294-Y340 HydrophobicContact CG2-CE2 3.76Å; T294-Y340 HydrophobicContact CG2-CG 3.98Å; E295-Y340 HydrophobicContact CG-CD1 4.17Å; E295-Y340 HydrophobicContact CG-CE1 4Å; T336-Y340 VanDerWaalsContact O-CB 3.31Å; T336-Y340 WeakPolarHBondContact O-CB 3.42Å; T336-Y340 PolarHBondContact O-N 3Å; L337-Y340 PolarHBondContact O-N 3.22Å; N338-Y340 PolarHBondContact O-N 3.37Å; Y340-T343 PolarHBondContact O-N 3.31Å; Y340-R344 HydrophobicContact CD1-CB 4.39Å; Y340-R344 HydrophobicContact CE1-CB 4.02Å; Y340-R344 HydrophobicContact CE1-CG 4.08Å; Y340-R344 HydrophobicContact CE2-CB 4.35Å; Y340-R344 VanDerWaalsContact O-CB 3.23Å; Y340-R344 WeakPolarHBondContact O-CB 3.34Å; Y340-R344 PolarHBondContact O-N 3.04Å; Y340-Y345 HydrophobicContact CE1-CE2 4.08Å
341I93.3Very high93.4Very high2 Ų268.5 Ų68.51%0.0137%0.368CS..Hα-helixtrans-63.8-44.6-180-72.2167.8000111.5L337 N338 S339 T343 R344 Y345 R351 F352 L355L337-I341 HydrophobicContact CD1-CD1 3.77Å; L337-I341 HydrophobicContact CD1-CG1 4.19Å; L337-I341 HydrophobicContact CG-CD1 3.81Å; L337-I341 WeakPolarHBondContact O-CB 3.35Å; L337-I341 VanDerWaalsContact O-CG1 3.26Å; L337-I341 WeakPolarHBondContact O-CG1 3.44Å; L337-I341 PolarHBondContact O-N 3.46Å; N338-I341 PolarHBondContact O-N 3.32Å; S339-I341 PolarHBondContact O-N 3.48Å; I341-T343 PolarHBondContact O-N 3.42Å; I341-R344 PolarHBondContact O-N 3.42Å; I341-Y345 CarbonylContact O-C 3.56Å; I341-Y345 WeakPolarHBondContact O-CA 3.42Å; I341-Y345 PolarHBondContact O-N 2.91Å; I341-R351 HydrophobicContact CD1-CG 4.37Å; I341-R351 HydrophobicContact CG2-CB 3.88Å; I341-R351 HydrophobicContact CG2-CG 4.36Å; I341-F352 HydrophobicContact CD1-CB 3.81Å; I341-F352 HydrophobicContact CD1-CD2 4.14Å; I341-L355 HydrophobicContact CD1-CD1 3.68Å
342H92.3Very high93.6Very high108 Ų10866.4 Ų66.450%0.536%0.355SS..Hα-helixtrans-60.5-36177.2-81.6-63000112.4N338 S339N338-H342 PolarHBondContact O-CD2 3.37Å; N338-H342 PolarHBondContact O-N 3.25Å; N338-H342 PolarHBondContact OD1-NE2 3.02Å; S339-H342 PolarHBondContact O-N 2.95Å
343T93.2Very high93.7Very high114 Ų11465 Ų6570%0.69936%0.357SS*.Hα-helixtrans-79.2-44.4-179.9-53.20000112.1S339 Y340 I341S339-T343 PolarHBondContact O-N 2.8Å; S339-T343 VanDerWaalsContact O-N 3.08Å; S339-T343 PolarHBondContact O-OG1 3.16Å; Y340-T343 PolarHBondContact O-N 3.31Å; I341-T343 PolarHBondContact O-N 3.42Å
344R92.5Very high93.8Very high154 Ų15470.7 Ų70.758%0.58138%0.381SS*.Hα-helixtrans-87.4-32.9-172-176.360.7-178.6137.3-2.3113.6Y340 I341 P346Y340-R344 HydrophobicContact CD1-CB 4.39Å; Y340-R344 HydrophobicContact CE1-CB 4.02Å; Y340-R344 HydrophobicContact CE1-CG 4.08Å; Y340-R344 HydrophobicContact CE2-CB 4.35Å; Y340-R344 VanDerWaalsContact O-CB 3.23Å; Y340-R344 WeakPolarHBondContact O-CB 3.34Å; Y340-R344 PolarHBondContact O-N 3.04Å; I341-R344 PolarHBondContact O-N 3.42Å; R344-P346 VanDerWaalsContact C-CD 3.41Å
345Y91.9Very high93.9Very high42 Ų4267.8 Ų67.817%0.16537%0.368CS..  trans-128.357.7-174.8-56.1-73.9000111.9D292 E295 Y340 I341 T347 Q348D292-Y345 WeakPolarHBondContact OD2-CE2 3.25Å; D292-Y345 PolarHBondContact OD2-OH 3.33Å; E295-Y345 WeakPolarHBondContact OE1-CE2 3.42Å; Y340-Y345 HydrophobicContact CE1-CE2 4.08Å; I341-Y345 CarbonylContact O-C 3.56Å; I341-Y345 WeakPolarHBondContact O-CA 3.42Å; I341-Y345 PolarHBondContact O-N 2.91Å; Y345-T347 PolarHBondContact O-N 2.81Å; Y345-Q348 PolarHBondContact O-N 2.6Å
346P92.3Very high93.9Very high96 Ų9664.6 Ų64.662%0.62335%0.351SS*.THydrogen-bonded Turntrans-60.6-23.8-176.425.5-35.4000113.4R344 Q348R344-P346 VanDerWaalsContact C-CD 3.41Å; P346-Q348 VanDerWaalsContact C-N 3.32Å
347T94.6Very high94Very high123 Ų12369.8 Ų69.876%0.75538%0.377SS*.THydrogen-bonded Turntrans-81.8-5.9177.358.60000114Y345 P349Y345-T347 PolarHBondContact O-N 2.81Å; T347-P349 VanDerWaalsContact C-CD 3.42Å; T347-P349 WeakPolarHBondContact O-CD 3.43Å
348Q92.5Very high94Very high80 Ų8070.6 Ų70.637%0.37438%0.381SS..  trans-12166.1-178.7-59.1-178.646.700111.4Y345 P346 C350 R351Y345-Q348 PolarHBondContact O-N 2.6Å; P346-Q348 VanDerWaalsContact C-N 3.32Å; Q348-C350 PolarHBondContact O-N 3.06Å; Q348-C350 VanDerWaalsContact O-N 3.11Å; Q348-R351 HydrophobicContact CB-CB 3.94Å; Q348-R351 WeakPolarHBondContact O-CB 3.41Å; Q348-R351 PolarHBondContact O-N 3.4Å
349P88.8Confident94Very high93 Ų9369.3 Ų69.360%0.60437%0.374SS*.THydrogen-bonded Turntrans-61.3-27.4-173.725.3-35.4000113.5T347 R351T347-P349 VanDerWaalsContact C-CD 3.42Å; T347-P349 WeakPolarHBondContact O-CD 3.43Å; P349-R351 VanDerWaalsContact C-N 3.33Å
350C95.1Very high94.1Very high83 Ų8370.1 Ų70.156%0.56138%0.378SS*.THydrogen-bonded Turntrans-85.80.4178.6-520000113.9Q348 F352 G353 K354Q348-C350 PolarHBondContact O-N 3.06Å; Q348-C350 VanDerWaalsContact O-N 3.11Å; C350-F352 PolarHBondContact O-N 2.9Å; C350-G353 PolarHBondContact O-N 3.34Å; C350-K354 WeakPolarHBondContact O-CG 3.1Å; C350-K354 PolarHBondContact O-N 3.49Å
351R95.5Very high94.1Very high10 Ų1068.3 Ų68.34%0.03838%0.375CS..Hα-helixtrans-62.4-42.2-174-175.8174-178.582.13.7112L289 R290 E295 I341 Q348 P349 G353 K354 L355L289-R351 PolarHBondContact O-NH1 3.47Å; L289-R351 PolarHBondContact O-NH2 3.5Å; R290-R351 PolarHBondContact O-NH2 3.08Å; E295-R351 IonicContact OE1-CZ 3.34Å; E295-R351 IonicContact OE1-NE 2.66Å; E295-R351 PolarHBondContact OE1-NE 3.36Å; E295-R351 IonicContact OE1-NH2 3.2Å; E295-R351 PolarHBondContact OE1-NH2 3.31Å; E295-R351 IonicContact OE2-CZ 3.65Å; E295-R351 IonicContact OE2-NE 3.75Å; E295-R351 IonicContact OE2-NH2 2.73Å; E295-R351 PolarHBondContact OE2-NH2 2.94Å; I341-R351 HydrophobicContact CD1-CG 4.37Å; I341-R351 HydrophobicContact CG2-CB 3.88Å; I341-R351 HydrophobicContact CG2-CG 4.36Å; Q348-R351 HydrophobicContact CB-CB 3.94Å; Q348-R351 WeakPolarHBondContact O-CB 3.41Å; Q348-R351 PolarHBondContact O-N 3.4Å; P349-R351 VanDerWaalsContact C-N 3.33Å; R351-G353 PolarHBondContact O-N 3Å; R351-K354 PolarHBondContact O-N 3.19Å; R351-L355 HydrophobicContact CG-CD1 4.32Å; R351-L355 HydrophobicContact CG-CG 4.43Å; R351-L355 WeakPolarHBondContact O-CG 3.35Å; R351-L355 PolarHBondContact O-N 2.96Å
352F96.4Very high94.1Very high44 Ų4468.2 Ų68.219%0.19338%0.375CS..Hα-helixtrans-54.8-53.7176.4176.8-107.5000111.9Q334 L337 N338 I341 C350 K354 L355 L356Q334-F352 HydrophobicContact CB-CZ 4.42Å; Q334-F352 WeakPolarHBondContact O-CE2 3.49Å; L337-F352 HydrophobicContact CB-CD2 4.42Å; L337-F352 HydrophobicContact CB-CE2 4.24Å; L337-F352 HydrophobicContact CD2-CD2 4.15Å; L337-F352 HydrophobicContact CD2-CE2 4.18Å; L337-F352 HydrophobicContact CG-CD2 4.01Å; L337-F352 HydrophobicContact CG-CE2 4.22Å; N338-F352 HydrophobicContact CB-CD2 3.8Å; N338-F352 HydrophobicContact CB-CE2 3.72Å; N338-F352 HydrophobicContact CB-CG 4.24Å; N338-F352 HydrophobicContact CB-CZ 4.08Å; N338-F352 WeakPolarHBondContact OD1-CG 3.38Å; I341-F352 HydrophobicContact CD1-CB 3.81Å; I341-F352 HydrophobicContact CD1-CD2 4.14Å; C350-F352 PolarHBondContact O-N 2.9Å; F352-K354 PolarHBondContact O-N 3.12Å; F352-L355 PolarHBondContact O-N 2.95Å; F352-L356 HydrophobicContact CD1-CD1 4.31Å; F352-L356 HydrophobicContact CE1-CD1 3.6Å; F352-L356 HydrophobicContact CE1-CG 4.44Å; F352-L356 HydrophobicContact CE2-CD1 4.06Å; F352-L356 HydrophobicContact CE2-CG 4.29Å; F352-L356 HydrophobicContact CZ-CD1 3.46Å; F352-L356 VanDerWaalsContact CZ-CD1 3.46Å; F352-L356 HydrophobicContact CZ-CG 4.19Å; F352-L356 PolarHBondContact O-N 3.22Å; F352-L356 VanDerWaalsContact O-N 3.1Å
353G96Very high94.2Very high32 Ų3269.3 Ų69.333%0.3337%0.374SS..Hα-helixtrans-60.3-42177.700000112.8C350 R351 L355 L356 L357C350-G353 PolarHBondContact O-N 3.34Å; R351-G353 PolarHBondContact O-N 3Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 3.37Å; G353-L356 PolarHBondContact O-N 2.87Å; G353-L357 WeakPolarHBondContact O-CB 3.41Å; G353-L357 VanDerWaalsContact O-CG 3.26Å; G353-L357 WeakPolarHBondContact O-CG 3.36Å; G353-L357 PolarHBondContact O-N 3.2Å
354K95.8Very high94.1Very high122 Ų12266.4 Ų66.453%0.5336%0.358SS..Hα-helixtrans-59.7-41.6176.1-73.8178.2-179.9-177.80112.2L289 C350 R351 F352 L357 L358L289-K354 HydrophobicContact CD1-CB 4.5Å; L289-K354 HydrophobicContact CD2-CD 4.44Å; C350-K354 WeakPolarHBondContact O-CG 3.1Å; C350-K354 PolarHBondContact O-N 3.49Å; R351-K354 PolarHBondContact O-N 3.19Å; F352-K354 PolarHBondContact O-N 3.12Å; K354-L357 PolarHBondContact O-N 3.25Å; K354-L358 PolarHBondContact O-N 3.11Å
355L96.3Very high94.1Very high0 Ų059.2 Ų59.20%033%0.332CS..Hα-helixtrans-66.5-43.8178.7-67.2177000111.9L289 L291 E295 L299 L337 I341 R351 F352 G353 L357 L358L289-L355 HydrophobicContact CD1-CD2 3.91Å; L291-L355 HydrophobicContact CD1-CD2 3.61Å; L291-L355 HydrophobicContact CD2-CD2 3.81Å; L291-L355 HydrophobicContact CG-CD2 3.69Å; E295-L355 HydrophobicContact CG-CD1 4.43Å; L299-L355 HydrophobicContact CD1-CD2 4.46Å; L299-L355 HydrophobicContact CD2-CB 4.24Å; L337-L355 HydrophobicContact CD1-CD1 4.17Å; L337-L355 HydrophobicContact CD2-CD1 4.35Å; I341-L355 HydrophobicContact CD1-CD1 3.68Å; R351-L355 HydrophobicContact CG-CD1 4.32Å; R351-L355 HydrophobicContact CG-CG 4.43Å; R351-L355 WeakPolarHBondContact O-CG 3.35Å; R351-L355 PolarHBondContact O-N 2.96Å; F352-L355 PolarHBondContact O-N 2.95Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 3.37Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L357 PolarHBondContact O-N 2.8Å; L355-L358 PolarHBondContact O-N 3.05Å
356L95.8Very high94.2Very high43 Ų4358.6 Ų58.623%0.22533%0.333CS..Hα-helixtrans-64.7-37.3177.4-66-170.7000112.4I302 F352 G353 L358 L359 P360I302-L356 HydrophobicContact CD1-CD2 4.03Å; F352-L356 HydrophobicContact CD1-CD1 4.31Å; F352-L356 HydrophobicContact CE1-CD1 3.6Å; F352-L356 HydrophobicContact CE1-CG 4.44Å; F352-L356 HydrophobicContact CE2-CD1 4.06Å; F352-L356 HydrophobicContact CE2-CG 4.29Å; F352-L356 HydrophobicContact CZ-CD1 3.46Å; F352-L356 VanDerWaalsContact CZ-CD1 3.46Å; F352-L356 HydrophobicContact CZ-CG 4.19Å; F352-L356 PolarHBondContact O-N 3.22Å; F352-L356 VanDerWaalsContact O-N 3.1Å; G353-L356 PolarHBondContact O-N 2.87Å; L356-L358 PolarHBondContact O-N 3.48Å; L356-L359 HydrophobicContact CD2-CD1 3.9Å; L356-L359 WeakPolarHBondContact O-CB 3.17Å; L356-L359 PolarHBondContact O-N 3.11Å; L356-L359 VanDerWaalsContact O-N 3.09Å; L356-P360 WeakPolarHBondContact O-CD 3.27Å
357L95.8Very high94.2Very high140 Ų14056.1 Ų56.173%0.73332%0.318SS*.Hα-helixtrans-67.4-14.7177-72.1172000113.7G353 K354 L355G353-L357 WeakPolarHBondContact O-CB 3.41Å; G353-L357 VanDerWaalsContact O-CG 3.26Å; G353-L357 WeakPolarHBondContact O-CG 3.36Å; G353-L357 PolarHBondContact O-N 3.2Å; K354-L357 PolarHBondContact O-N 3.25Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L357 PolarHBondContact O-N 2.8Å
358L94.9Very high94.1Very high16 Ų1653.8 Ų53.88%0.08431%0.306CS..Hα-helixtrans-82.6-21.6172-68.8-178000113.3R285 F286 L289 K354 L355 L356 A361R285-L358 HydrophobicContact CB-CD2 3.9Å; F286-L358 HydrophobicContact CD1-CD1 3.92Å; F286-L358 HydrophobicContact CD2-CD1 4.33Å; F286-L358 HydrophobicContact CE1-CB 4.17Å; F286-L358 HydrophobicContact CE1-CD1 3.82Å; F286-L358 HydrophobicContact CE2-CB 4.03Å; F286-L358 HydrophobicContact CE2-CD1 4.23Å; F286-L358 HydrophobicContact CG-CD1 4.18Å; F286-L358 HydrophobicContact CZ-CB 3.63Å; F286-L358 HydrophobicContact CZ-CD1 3.98Å; F286-L358 HydrophobicContact CZ-CG 4.46Å; L289-L358 HydrophobicContact CD1-CD1 3.45Å; L289-L358 VanDerWaalsContact CD1-CD1 3.45Å; L289-L358 HydrophobicContact CD1-CG 4.42Å; K354-L358 PolarHBondContact O-N 3.11Å; L355-L358 PolarHBondContact O-N 3.05Å; L356-L358 PolarHBondContact O-N 3.48Å; L358-A361 WeakPolarHBondContact O-CB 3.42Å; L358-A361 PolarHBondContact O-N 3.03Å; L358-A361 VanDerWaalsContact O-N 3.08Å
359L95.1Very high94.1Very high22 Ų2250.4 Ų50.412%0.11529%0.291CS..THydrogen-bonded Turntrans-59.3-42.9-175.9-63.3-179.1000113.4L299 I302 V303 L356 A361 L362L299-L359 HydrophobicContact CB-CD2 4.43Å; L299-L359 HydrophobicContact CD2-CD2 3.92Å; L299-L359 HydrophobicContact CD2-CG 4.42Å; I302-L359 HydrophobicContact CB-CD1 4.43Å; I302-L359 HydrophobicContact CG2-CD1 3.57Å; V303-L359 HydrophobicContact CG1-CD2 3.67Å; L356-L359 HydrophobicContact CD2-CD1 3.9Å; L356-L359 WeakPolarHBondContact O-CB 3.17Å; L356-L359 PolarHBondContact O-N 3.11Å; L356-L359 VanDerWaalsContact O-N 3.09Å; L359-A361 PolarHBondContact O-N 3.18Å; L359-L362 HydrophobicContact CD2-CD1 3.83Å; L359-L362 VanDerWaalsContact O-CB 3.31Å; L359-L362 WeakPolarHBondContact O-CB 3.36Å; L359-L362 PolarHBondContact O-N 2.81Å; L359-L362 VanDerWaalsContact O-N 3.16Å
360P94.4Very high94.3Very high89 Ų8946 Ų4658%0.57826%0.262SS*.G310 helixtrans-60-33.1176.2-24.335.3000113L356 L362 R363L356-P360 WeakPolarHBondContact O-CD 3.27Å; P360-L362 PolarHBondContact O-N 3.24Å; P360-R363 WeakPolarHBondContact O-CB 3.48Å; P360-R363 PolarHBondContact O-N 3Å; P360-R363 VanDerWaalsContact O-N 3.11Å
361A94.1Very high94.2Very high21 Ų2144 Ų4417%0.17425%0.245CC..G310 helixtrans-68.2-21.9-178.600000112.5V282 L358 L359 R363 S364V282-A361 HydrophobicContact CG2-CB 3.83Å; V282-A361 VanDerWaalsContact CG2-O 3.3Å; V282-A361 WeakPolarHBondContact CG2-O 3.44Å; L358-A361 WeakPolarHBondContact O-CB 3.42Å; L358-A361 PolarHBondContact O-N 3.03Å; L358-A361 VanDerWaalsContact O-N 3.08Å; L359-A361 PolarHBondContact O-N 3.18Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-R363 VanDerWaalsContact O-N 3.11Å; A361-S364 VanDerWaalsContact O-CB 3.24Å; A361-S364 WeakPolarHBondContact O-CB 3.44Å; A361-S364 PolarHBondContact O-N 2.92Å; A361-S364 PolarHBondContact O-OG 3.33Å
362L94.3Very high94Very high1 Ų145.1 Ų45.11%0.00525%0.25CS..G310 helixtrans-61.4-17.5172.6-61.1172.3000113.1E235 V238 L239 V282 F286 V303 L359 P360E235-L362 HydrophobicContact CB-CB 4.16Å; E235-L362 HydrophobicContact CB-CD1 4.25Å; E235-L362 HydrophobicContact CG-CB 3.94Å; V238-L362 HydrophobicContact CB-CD2 4.05Å; V238-L362 HydrophobicContact CG1-CD2 3.57Å; L239-L362 HydrophobicContact CD1-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD2 4.01Å; L239-L362 HydrophobicContact CG-CD1 3.77Å; L239-L362 HydrophobicContact CG-CD2 3.98Å; V282-L362 HydrophobicContact CG1-CD2 4Å; F286-L362 HydrophobicContact CE2-CD2 3.56Å; F286-L362 HydrophobicContact CE2-CG 4.29Å; F286-L362 HydrophobicContact CZ-CD2 3.99Å; F286-L362 HydrophobicContact CZ-CG 4.42Å; V303-L362 HydrophobicContact CG1-CD1 3.95Å; L359-L362 HydrophobicContact CD2-CD1 3.83Å; L359-L362 VanDerWaalsContact O-CB 3.31Å; L359-L362 WeakPolarHBondContact O-CB 3.36Å; L359-L362 PolarHBondContact O-N 2.81Å; L359-L362 VanDerWaalsContact O-N 3.16Å; P360-L362 PolarHBondContact O-N 3.24Å
363R92.3Very high93.6Very high131 Ų13143.2 Ų43.249%0.49424%0.242SC..G310 helixtrans-95.22.8177.8-57.1-179.4175.7173.10113.7E235 K306 P360 A361 V365E235-R363 HydrophobicContact CG-CG 4.15Å; E235-R363 IonicContact OE1-CZ 3.34Å; E235-R363 IonicContact OE1-NE 2.84Å; E235-R363 PolarHBondContact OE1-NE 3.08Å; E235-R363 IonicContact OE1-NH2 3.93Å; E235-R363 IonicContact OE2-NE 3.76Å; K306-R363 VanDerWaalsContact CE-NH2 3.3Å; P360-R363 WeakPolarHBondContact O-CB 3.48Å; P360-R363 PolarHBondContact O-N 3Å; P360-R363 VanDerWaalsContact O-N 3.11Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-R363 VanDerWaalsContact O-N 3.11Å; R363-V365 PolarHBondContact O-N 3.07Å
364S91.9Very high93.3Very high52 Ų5241.9 Ų41.936%0.36423%0.227SC..SBendtrans-66.9-16179.1590000113.8A361A361-S364 VanDerWaalsContact O-CB 3.24Å; A361-S364 WeakPolarHBondContact O-CB 3.44Å; A361-S364 PolarHBondContact O-N 2.92Å; A361-S364 PolarHBondContact O-OG 3.33Å
365V92.6Very high93Very high4 Ų436.2 Ų36.22%0.02420%0.203CC..SBendtrans-110.5130.1178.3-1680000108.8E275 L279 R363 T369 I370E275-V365 HydrophobicContact CB-CG1 4.35Å; L279-V365 HydrophobicContact CB-CG2 3.69Å; L279-V365 HydrophobicContact CD1-CG2 4.17Å; L279-V365 HydrophobicContact CG-CG2 4.43Å; R363-V365 PolarHBondContact O-N 3.07Å; V365-T369 HydrophobicContact CG1-CG2 4.15Å; V365-I370 HydrophobicContact CB-CD1 4.46Å; V365-I370 HydrophobicContact CB-CG1 4.48Å; V365-I370 HydrophobicContact CG1-CD1 4.22Å; V365-I370 HydrophobicContact CG1-CG1 3.72Å
366S93.4Very high92.6Very high28 Ų2839.6 Ų39.620%0.19622%0.218CC..  trans-72.6148.817970.80000111.4E275 S368 T369 I370E275-S366 PolarHBondContact OE1-OG 2.95Å; E275-S366 VanDerWaalsContact OE2-CB 3.28Å; E275-S366 WeakPolarHBondContact OE2-CB 3.22Å; E275-S366 PolarHBondContact OE2-N 3.39Å; E275-S366 PolarHBondContact OE2-OG 3.27Å; S366-S368 PolarHBondContact O-N 3.19Å; S366-S368 PolarHBondContact OG-OG 3Å; S366-T369 PolarHBondContact O-N 3.43Å; S366-T369 WeakPolarHBondContact OG-CB 3.4Å; S366-T369 PolarHBondContact OG-N 3.12Å; S366-T369 VanDerWaalsContact OG-N 3.12Å; S366-T369 PolarHBondContact OG-OG1 3.13Å; S366-I370 PolarHBondContact O-N 2.87Å
367P93.4Very high92Very high45 Ų4543.6 Ų43.629%0.29223%0.233SC..Hα-helixtrans-51.9-41.5171-26.233.9000112.8W233 T369 I370 E371W233-P367 HydrophobicContact CH2-CB 4.32Å; W233-P367 HydrophobicContact CZ2-CB 3.74Å; P367-T369 PolarHBondContact O-N 3.47Å; P367-I370 PolarHBondContact O-N 2.95Å; P367-E371 VanDerWaalsContact O-CG 3.32Å; P367-E371 WeakPolarHBondContact O-CG 3.39Å; P367-E371 PolarHBondContact O-N 3.46Å
368S92.1Very high91.3Very high73 Ų7340.1 Ų40.151%0.5122%0.218SC..Hα-helixtrans-62.9-40.2179.438.50000113.1S366 E371 E372S366-S368 PolarHBondContact O-N 3.19Å; S366-S368 PolarHBondContact OG-OG 3Å; S368-E371 PolarHBondContact O-N 3.1Å; S368-E372 VanDerWaalsContact O-CB 3.27Å; S368-E372 WeakPolarHBondContact O-CB 3.13Å; S368-E372 PolarHBondContact O-N 3.34Å
369T92.8Very high90.7Very high9 Ų941.1 Ų41.16%0.05522%0.223CC..Hα-helixtrans-68-41.4176.8-65.30000111.1I272 E275 V365 S366 P367 E371 E372 V373I272-T369 HydrophobicContact CG1-CG2 4.47Å; I272-T369 HydrophobicContact CG2-CG2 4.21Å; E275-T369 HydrophobicContact CB-CG2 3.94Å; E275-T369 WeakPolarHBondContact OE2-CB 3.34Å; E275-T369 PolarHBondContact OE2-OG1 2.9Å; V365-T369 HydrophobicContact CG1-CG2 4.15Å; S366-T369 PolarHBondContact O-N 3.43Å; S366-T369 WeakPolarHBondContact OG-CB 3.4Å; S366-T369 PolarHBondContact OG-N 3.12Å; S366-T369 VanDerWaalsContact OG-N 3.12Å; S366-T369 PolarHBondContact OG-OG1 3.13Å; P367-T369 PolarHBondContact O-N 3.47Å; T369-E371 VanDerWaalsContact C-N 3.32Å; T369-E371 PolarHBondContact O-N 3.23Å; T369-E372 PolarHBondContact O-N 3.34Å; T369-V373 HydrophobicContact CG2-CG2 4.07Å; T369-V373 WeakPolarHBondContact O-CB 3.33Å; T369-V373 VanDerWaalsContact O-CG2 3.25Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 3.15Å
370I93.4Very high90.2Very high2 Ų241.8 Ų41.81%0.0124%0.235CC..Hα-helixtrans-59.8-45.9175.4-67.3170.4000110.3W233 R234 F237 V238 V365 S366 P367 F374 F375W233-I370 HydrophobicContact CH2-CB 4.32Å; W233-I370 HydrophobicContact CH2-CG2 4.07Å; W233-I370 HydrophobicContact CZ3-CB 4.45Å; W233-I370 HydrophobicContact CZ3-CG2 3.78Å; R234-I370 HydrophobicContact CB-CD1 4.04Å; F237-I370 HydrophobicContact CD1-CD1 4.32Å; F237-I370 HydrophobicContact CD1-CG2 3.62Å; F237-I370 HydrophobicContact CE1-CG2 3.55Å; F237-I370 HydrophobicContact CZ-CG2 4.46Å; V238-I370 HydrophobicContact CG2-CD1 4.22Å; V365-I370 HydrophobicContact CB-CD1 4.46Å; V365-I370 HydrophobicContact CB-CG1 4.48Å; V365-I370 HydrophobicContact CG1-CD1 4.22Å; V365-I370 HydrophobicContact CG1-CG1 3.72Å; S366-I370 PolarHBondContact O-N 2.87Å; P367-I370 PolarHBondContact O-N 2.95Å; I370-F374 HydrophobicContact CG2-CD2 4.19Å; I370-F374 WeakPolarHBondContact O-CB 3.29Å; I370-F374 PolarHBondContact O-N 2.98Å; I370-F375 HydrophobicContact CG2-CD2 4.07Å; I370-F375 HydrophobicContact CG2-CE2 3.69Å
371E93.1Very high89.7Confident41 Ų4144.3 Ų44.319%0.19224%0.243CC..Iπ-helixtrans-59.8-49.7176.8-75.1174.5177.900112.2W233 P367 S368 T369 V373 F375 K376 P383 I384W233-E371 HydrophobicContact CH2-CG 4.12Å; P367-E371 VanDerWaalsContact O-CG 3.32Å; P367-E371 WeakPolarHBondContact O-CG 3.39Å; P367-E371 PolarHBondContact O-N 3.46Å; S368-E371 PolarHBondContact O-N 3.1Å; T369-E371 VanDerWaalsContact C-N 3.32Å; T369-E371 PolarHBondContact O-N 3.23Å; E371-V373 PolarHBondContact O-N 2.72Å; E371-F375 CarbonylContact O-C 3.59Å; E371-F375 WeakPolarHBondContact O-CA 3.39Å; E371-F375 PolarHBondContact O-N 2.98Å; E371-K376 PolarHBondContact O-N 3.22Å; E371-P383 WeakPolarHBondContact OE1-CA 3.24Å; E371-I384 HydrophobicContact CG-CG1 3.85Å; E371-I384 PolarHBondContact OE1-N 3.17Å
372E89.4Confident89.4Confident32 Ų3246.3 Ų46.315%0.1525%0.253CS..Iπ-helixtrans-61.7-45-179-175.269.8-147.300111.9M259 R268 I272 S368 T369 K376M259-E372 HydrophobicContact CE-CG 3.84Å; M259-E372 HydrophobicContact SD-CG 4.42Å; R268-E372 IonicContact NH2-OE2 3.63Å; I272-E372 HydrophobicContact CD1-CG 4.04Å; S368-E372 VanDerWaalsContact O-CB 3.27Å; S368-E372 WeakPolarHBondContact O-CB 3.13Å; S368-E372 PolarHBondContact O-N 3.34Å; T369-E372 PolarHBondContact O-N 3.34Å; E372-K376 HydrophobicContact CG-CD 4.47Å; E372-K376 WeakPolarHBondContact O-CB 3.28Å; E372-K376 WeakPolarHBondContact OE1-CD 3.5Å; E372-K376 WeakPolarHBondContact OE1-CE 3.39Å; E372-K376 IonicContact OE1-NZ 3.83Å; E372-K376 PolarHBondContact OE1-NZ 2.95Å; E372-K376 WeakPolarHBondContact OE2-CD 3.08Å; E372-K376 IonicContact OE2-NZ 2.91Å; E372-K376 PolarHBondContact OE2-NZ 2.86Å
373V88.9Confident89.1Confident4 Ų448.5 Ų48.52%0.02427%0.268CS..Iπ-helixtrans-79.7-46.6-173.8174.70000112.2L253 I272 I276 T369 E371L253-V373 HydrophobicContact CB-CG1 3.87Å; L253-V373 HydrophobicContact CD1-CG1 4.16Å; L253-V373 HydrophobicContact CD2-CG1 4.03Å; L253-V373 HydrophobicContact CG-CG1 4.24Å; I272-V373 HydrophobicContact CG2-CG2 3.88Å; I276-V373 HydrophobicContact CD1-CG2 3.99Å; I276-V373 HydrophobicContact CG1-CG2 4.32Å; T369-V373 HydrophobicContact CG2-CG2 4.07Å; T369-V373 WeakPolarHBondContact O-CB 3.33Å; T369-V373 VanDerWaalsContact O-CG2 3.25Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 3.15Å; E371-V373 PolarHBondContact O-N 2.72Å
374F89.8Confident89Confident4 Ų442.4 Ų42.42%0.01825%0.245CC..Iπ-helixtrans-98.5-30.7-169.8-67.7-82.1000113.8V196 C197 A200 F237 I241 L253 L279 I370V196-F374 HydrophobicContact CG1-CD1 4.05Å; V196-F374 HydrophobicContact CG1-CE1 3.89Å; C197-F374 WeakPolarHBondContact CA-O 3.3Å; C197-F374 WeakPolarHBondContact CB-O 3.35Å; C197-F374 PolarHBondContact SG-O 2.97Å; A200-F374 HydrophobicContact CB-CB 3.83Å; A200-F374 HydrophobicContact CB-CD1 3.8Å; A200-F374 HydrophobicContact CB-CG 4.18Å; F237-F374 AromaticContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CE2 4.24Å; F237-F374 HydrophobicContact CE1-CG 4.12Å; F237-F374 HydrophobicContact CZ-CB 4.26Å; F237-F374 HydrophobicContact CZ-CD1 4.25Å; F237-F374 HydrophobicContact CZ-CD2 4.3Å; F237-F374 HydrophobicContact CZ-CG 4.01Å; I241-F374 HydrophobicContact CD1-CE1 4.27Å; I241-F374 HydrophobicContact CD1-CE2 4.29Å; I241-F374 HydrophobicContact CD1-CZ 3.88Å; L253-F374 HydrophobicContact CD1-CZ 3.93Å; L253-F374 HydrophobicContact CD2-CD1 4.34Å; L253-F374 HydrophobicContact CD2-CE1 3.56Å; L253-F374 HydrophobicContact CD2-CZ 3.78Å; L279-F374 HydrophobicContact CD2-CE2 3.9Å; L279-F374 HydrophobicContact CD2-CZ 3.92Å; I370-F374 HydrophobicContact CG2-CD2 4.19Å; I370-F374 WeakPolarHBondContact O-CB 3.29Å; I370-F374 PolarHBondContact O-N 2.98Å
375F90.4Very high88.8Confident3 Ų342.2 Ų42.21%0.01324%0.241CC..Iπ-helixtrans-116.7-24.6-164.7-63.4-78.7000114.4A200 L204 F237 I370 E371 K377 T378 I379 I384A200-F375 HydrophobicContact CB-CE1 4.28Å; A200-F375 HydrophobicContact CB-CZ 4.14Å; L204-F375 HydrophobicContact CB-CE1 4.24Å; L204-F375 HydrophobicContact CB-CZ 4.1Å; L204-F375 HydrophobicContact CD2-CE1 3.93Å; L204-F375 HydrophobicContact CD2-CZ 4Å; F237-F375 HydrophobicContact CD2-CE2 4.49Å; F237-F375 HydrophobicContact CD2-CZ 4.1Å; F237-F375 HydrophobicContact CE1-CE2 4.12Å; F237-F375 HydrophobicContact CE1-CZ 4.49Å; F237-F375 AromaticContact CE2-CE2 3.97Å; F237-F375 HydrophobicContact CE2-CE2 3.97Å; F237-F375 AromaticContact CE2-CZ 3.52Å; F237-F375 HydrophobicContact CE2-CZ 3.52Å; F237-F375 AromaticContact CZ-CE2 3.76Å; F237-F375 HydrophobicContact CZ-CE2 3.76Å; F237-F375 AromaticContact CZ-CZ 3.75Å; F237-F375 HydrophobicContact CZ-CZ 3.75Å; I370-F375 HydrophobicContact CG2-CD2 4.07Å; I370-F375 HydrophobicContact CG2-CE2 3.69Å; E371-F375 CarbonylContact O-C 3.59Å; E371-F375 WeakPolarHBondContact O-CA 3.39Å; E371-F375 PolarHBondContact O-N 2.98Å; F375-K377 VanDerWaalsContact C-N 3.27Å; F375-K377 PolarHBondContact O-N 2.9Å; F375-K377 VanDerWaalsContact O-N 3.13Å; F375-T378 WeakPolarHBondContact O-CA 3.24Å; F375-T378 WeakPolarHBondContact O-CB 3.49Å; F375-T378 PolarHBondContact O-N 3.35Å; F375-I379 HydrophobicContact CB-CD1 3.76Å; F375-I379 HydrophobicContact CB-CG1 3.98Å; F375-I379 WeakPolarHBondContact O-CG1 3.22Å; F375-I379 PolarHBondContact O-N 3.33Å; F375-I384 HydrophobicContact CB-CD1 4.37Å; F375-I384 HydrophobicContact CD1-CD1 4.02Å; F375-I384 HydrophobicContact CD2-CD1 4.26Å; F375-I384 HydrophobicContact CD2-CG1 4.39Å; F375-I384 HydrophobicContact CE1-CD1 4.35Å; F375-I384 HydrophobicContact CG-CD1 3.96Å
376K87.2Confident88.6Confident72 Ų7251.2 Ų51.231%0.31328%0.275SS..Hα-helixtrans-54-39.6-173.7-173.5169.7-175.31710114.1E371 E372 T378 G380 N381E371-K376 PolarHBondContact O-N 3.22Å; E372-K376 HydrophobicContact CG-CD 4.47Å; E372-K376 WeakPolarHBondContact O-CB 3.28Å; E372-K376 WeakPolarHBondContact OE1-CD 3.5Å; E372-K376 WeakPolarHBondContact OE1-CE 3.39Å; E372-K376 IonicContact OE1-NZ 3.83Å; E372-K376 PolarHBondContact OE1-NZ 2.95Å; E372-K376 WeakPolarHBondContact OE2-CD 3.08Å; E372-K376 IonicContact OE2-NZ 2.91Å; E372-K376 PolarHBondContact OE2-NZ 2.86Å; K376-T378 VanDerWaalsContact C-N 3.28Å; K376-T378 PolarHBondContact O-N 3.02Å; K376-G380 WeakPolarHBondContact O-CA 3.3Å; K376-G380 PolarHBondContact O-N 3.3Å; K376-N381 WeakPolarHBondContact CE-OD1 3.35Å
377K82.3Confident88.3Confident127 Ų12751.9 Ų51.955%0.55228%0.276SS*.Hα-helixtrans-66.8-28.5175.5-73-165.9177174.60113.4V256 S257 F375V256-K377 WeakPolarHBondContact O-CD 3.4Å; V256-K377 WeakPolarHBondContact O-CE 3.43Å; V256-K377 PolarHBondContact O-NZ 3.02Å; S257-K377 VanDerWaalsContact C-CE 3.4Å; S257-K377 WeakPolarHBondContact O-CE 3.04Å; F375-K377 VanDerWaalsContact C-N 3.27Å; F375-K377 PolarHBondContact O-N 2.9Å; F375-K377 VanDerWaalsContact O-N 3.13Å
378T81.8Confident88.1Confident67 Ų6749.9 Ų49.941%0.41126%0.263SS..Hα-helixtrans-91.2-44.3-174.8-52.30000112.4F375 K376F375-T378 WeakPolarHBondContact O-CA 3.24Å; F375-T378 WeakPolarHBondContact O-CB 3.49Å; F375-T378 PolarHBondContact O-N 3.35Å; K376-T378 VanDerWaalsContact C-N 3.28Å; K376-T378 PolarHBondContact O-N 3.02Å
379I82.8Confident87.8Confident37 Ų3747.5 Ų47.519%0.1925%0.247CC..Hα-helixtrans-115.2-5.7-17369.8179.2000113.9F375 V382 I384 L387F375-I379 HydrophobicContact CB-CD1 3.76Å; F375-I379 HydrophobicContact CB-CG1 3.98Å; F375-I379 WeakPolarHBondContact O-CG1 3.22Å; F375-I379 PolarHBondContact O-N 3.33Å; I379-V382 WeakPolarHBondContact CD1-O 3.01Å; I379-I384 HydrophobicContact CD1-CD1 3.42Å; I379-I384 VanDerWaalsContact CD1-CD1 3.42Å; I379-I384 HydrophobicContact CD1-CG1 4.26Å; I379-L387 HydrophobicContact CB-CD1 4.11Å; I379-L387 HydrophobicContact CD1-CD1 3.64Å; I379-L387 HydrophobicContact CG1-CD1 4.43Å; I379-L387 HydrophobicContact CG2-CD1 3.98Å
380G84.1Confident87.4Confident35 Ų3552 Ų5236%0.36127%0.27SS..  trans73.7-145-174.800000112.5K376 V382K376-G380 WeakPolarHBondContact O-CA 3.3Å; K376-G380 PolarHBondContact O-N 3.3Å; G380-V382 PolarHBondContact O-N 3.19Å
381N84.4Confident87.1Confident143 Ų14353.8 Ų53.877%0.76528%0.279SS*.SBendtrans-88.423.6-177.9-61.2-27000113.1K376K376-N381 WeakPolarHBondContact CE-OD1 3.35Å
382V86.9Confident86.8Confident63 Ų6352.5 Ų52.538%0.38227%0.272SS..  trans-87.9121.8179.6-176.30000108.7I379 G380 R386 L387I379-V382 WeakPolarHBondContact CD1-O 3.01Å; G380-V382 PolarHBondContact O-N 3.19Å; V382-R386 HydrophobicContact CG1-CB 4.32Å; V382-L387 HydrophobicContact CG1-CD1 4.32Å; V382-L387 HydrophobicContact CG1-CD2 3.86Å; V382-L387 HydrophobicContact CG1-CG 3.94Å
383P87.7Confident86.5Confident47 Ų4756.1 Ų56.131%0.30529%0.288SS..  trans-68.1143.4179.328-34.2000110.7E371 T385 R386E371-P383 WeakPolarHBondContact OE1-CA 3.24Å; P383-T385 PolarHBondContact O-N 3.11Å; P383-R386 HydrophobicContact CG-CB 4.33Å; P383-R386 HydrophobicContact CG-CG 3.69Å; P383-R386 WeakPolarHBondContact O-CB 3.13Å; P383-R386 PolarHBondContact O-N 3.14Å
384I90.1Very high85.8Confident2 Ų258.7 Ų58.71%0.0131%0.306CS..Hα-helixtrans-59.1-36.7-176.3-70-65.4000111L204 W233 E371 F375 I379 R386 L387 L388L204-I384 HydrophobicContact CD1-CG2 4.43Å; L204-I384 HydrophobicContact CD2-CD1 3.69Å; L204-I384 HydrophobicContact CD2-CG1 4.43Å; L204-I384 HydrophobicContact CD2-CG2 3.84Å; W233-I384 HydrophobicContact CD2-CB 4.37Å; W233-I384 HydrophobicContact CD2-CG2 3.79Å; W233-I384 HydrophobicContact CE3-CB 4.39Å; W233-I384 HydrophobicContact CE3-CG2 3.83Å; W233-I384 HydrophobicContact CG-CG2 4.28Å; W233-I384 HydrophobicContact CH2-CB 3.97Å; W233-I384 HydrophobicContact CH2-CG1 4Å; W233-I384 HydrophobicContact CH2-CG2 4.32Å; W233-I384 HydrophobicContact CZ2-CB 3.92Å; W233-I384 HydrophobicContact CZ2-CG1 4.44Å; W233-I384 HydrophobicContact CZ2-CG2 4.27Å; W233-I384 HydrophobicContact CZ3-CB 4.21Å; W233-I384 HydrophobicContact CZ3-CG1 4.13Å; W233-I384 HydrophobicContact CZ3-CG2 4.12Å; E371-I384 HydrophobicContact CG-CG1 3.85Å; E371-I384 PolarHBondContact OE1-N 3.17Å; F375-I384 HydrophobicContact CB-CD1 4.37Å; F375-I384 HydrophobicContact CD1-CD1 4.02Å; F375-I384 HydrophobicContact CD2-CD1 4.26Å; F375-I384 HydrophobicContact CD2-CG1 4.39Å; F375-I384 HydrophobicContact CE1-CD1 4.35Å; F375-I384 HydrophobicContact CG-CD1 3.96Å; I379-I384 HydrophobicContact CD1-CD1 3.42Å; I379-I384 VanDerWaalsContact CD1-CD1 3.42Å; I379-I384 HydrophobicContact CD1-CG1 4.26Å; I384-R386 PolarHBondContact O-N 3.25Å; I384-R386 VanDerWaalsContact O-N 3.12Å; I384-L387 HydrophobicContact CD1-CD1 4.48Å; I384-L387 CarbonylContact O-C 3.58Å; I384-L387 WeakPolarHBondContact O-CA 3.49Å; I384-L387 WeakPolarHBondContact O-CB 3.41Å; I384-L387 PolarHBondContact O-N 3.43Å; I384-L388 HydrophobicContact CG2-CD1 4.48Å; I384-L388 HydrophobicContact CG2-CD2 4.01Å; I384-L388 HydrophobicContact CG2-CG 4.01Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 3.19Å
385T89.3Confident84.4Confident48 Ų4859.8 Ų59.829%0.29431%0.314SS..Hα-helixtrans-54-33.6177.754.10000113.2P383P383-T385 PolarHBondContact O-N 3.11Å
386R87.6Confident82.6Confident193 Ų19365.4 Ų65.473%0.72834%0.344SS*.Hα-helixtrans-74-27.8176-67.1-72.9-178.8160.5-0.6112.9V382 P383 I384V382-R386 HydrophobicContact CG1-CB 4.32Å; P383-R386 HydrophobicContact CG-CB 4.33Å; P383-R386 HydrophobicContact CG-CG 3.69Å; P383-R386 WeakPolarHBondContact O-CB 3.13Å; P383-R386 PolarHBondContact O-N 3.14Å; I384-R386 PolarHBondContact O-N 3.25Å; I384-R386 VanDerWaalsContact O-N 3.12Å
387L88.1Confident80.2Confident43 Ų4370.9 Ų70.923%0.22538%0.375CS..Hα-helixtrans-86.8-24.9-179.5-59.7-178.6000112.5I379 V382 I384 S389 D390 M391I379-L387 HydrophobicContact CB-CD1 4.11Å; I379-L387 HydrophobicContact CD1-CD1 3.64Å; I379-L387 HydrophobicContact CG1-CD1 4.43Å; I379-L387 HydrophobicContact CG2-CD1 3.98Å; V382-L387 HydrophobicContact CG1-CD1 4.32Å; V382-L387 HydrophobicContact CG1-CD2 3.86Å; V382-L387 HydrophobicContact CG1-CG 3.94Å; I384-L387 HydrophobicContact CD1-CD1 4.48Å; I384-L387 CarbonylContact O-C 3.58Å; I384-L387 WeakPolarHBondContact O-CA 3.49Å; I384-L387 WeakPolarHBondContact O-CB 3.41Å; I384-L387 PolarHBondContact O-N 3.43Å; L387-S389 VanDerWaalsContact C-N 3.33Å; L387-S389 PolarHBondContact O-N 2.87Å; L387-D390 PolarHBondContact O-N 3.44Å; L387-D390 VanDerWaalsContact O-N 3.14Å; L387-M391 HydrophobicContact CB-SD 4.22Å; L387-M391 WeakPolarHBondContact O-CB 3.39Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 2.99Å
388L88.6Confident80.1Confident2 Ų268.1 Ų68.11%0.0137%0.366CS..Hα-helixtrans-55.6-44.2-175.9-74.3176.4000112.8I208 E230 W233 I384 D390 M391 Y392I208-L388 HydrophobicContact CD1-CD2 3.64Å; I208-L388 HydrophobicContact CG1-CD2 4.2Å; E230-L388 HydrophobicContact CB-CD1 4.42Å; E230-L388 HydrophobicContact CG-CD1 4.04Å; W233-L388 HydrophobicContact CB-CD1 3.96Å; W233-L388 HydrophobicContact CB-CD2 4.25Å; W233-L388 HydrophobicContact CG-CD1 4.01Å; I384-L388 HydrophobicContact CG2-CD1 4.48Å; I384-L388 HydrophobicContact CG2-CD2 4.01Å; I384-L388 HydrophobicContact CG2-CG 4.01Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 3.19Å; L388-D390 VanDerWaalsContact C-N 3.35Å; L388-D390 PolarHBondContact O-N 2.58Å; L388-M391 PolarHBondContact O-N 3.19Å; L388-Y392 WeakPolarHBondContact O-CB 2.89Å; L388-Y392 PolarHBondContact O-N 2.84Å
389S85.6Confident80Confident24 Ų2468.1 Ų68.117%0.16836%0.363CS..Hα-helixtrans-62.2-42.6179-1670000112.2L387 Y392 K393L387-S389 VanDerWaalsContact C-N 3.33Å; L387-S389 PolarHBondContact O-N 2.87Å; S389-Y392 PolarHBondContact O-N 3.25Å; S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 2.72Å; S389-K393 PolarHBondContact OG-NZ 2.84Å; S389-K393 VanDerWaalsContact OG-NZ 3.11Å
390D85.3Confident79.9Confident104 Ų10469.8 Ų69.856%0.55637%0.373SS*.Hα-helixtrans-69.7-42.7179.1-72.5-13.6000111.1L387 L388 Y392 K393 S394L387-D390 PolarHBondContact O-N 3.44Å; L387-D390 VanDerWaalsContact O-N 3.14Å; L388-D390 VanDerWaalsContact C-N 3.35Å; L388-D390 PolarHBondContact O-N 2.58Å; D390-Y392 VanDerWaalsContact C-N 3.34Å; D390-Y392 PolarHBondContact O-N 3.45Å; D390-K393 PolarHBondContact O-N 3.29Å; D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 2.74Å; D390-S394 PolarHBondContact O-OG 2.94Å; D390-S394 VanDerWaalsContact O-OG 3.13Å
391M86Confident79.6Confident38 Ų3871.9 Ų71.919%0.18737%0.374CS..Hα-helixtrans-60.7-44.5175-69.6177.177.800111.1L204 F205 I208 L387 L388 S394 S395L204-M391 HydrophobicContact CD2-CE 4.05Å; L204-M391 HydrophobicContact CD2-SD 4.18Å; L204-M391 HydrophobicContact CG-CE 4.05Å; F205-M391 HydrophobicContact CB-CE 4.05Å; F205-M391 HydrophobicContact CD2-CE 4.26Å; I208-M391 HydrophobicContact CD1-CB 3.6Å; I208-M391 HydrophobicContact CD1-CE 3.71Å; I208-M391 HydrophobicContact CD1-CG 4.36Å; I208-M391 HydrophobicContact CD1-SD 3.89Å; L387-M391 HydrophobicContact CB-SD 4.22Å; L387-M391 WeakPolarHBondContact O-CB 3.39Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 2.99Å; L388-M391 PolarHBondContact O-N 3.19Å; M391-S394 WeakPolarHBondContact CA-OG 3.33Å; M391-S394 PolarHBondContact O-N 3.28Å; M391-S394 PolarHBondContact O-OG 3Å; M391-S395 PolarHBondContact O-N 3.12Å
392Y85.9Confident79.3Confident15 Ų1567.4 Ų67.46%0.05935%0.349CS..Hα-helixtrans-59.4-48.3178.2-171-92.1000112I208 K212 F217 L222 Q225 L226 L229 L388 S389 D390 S395I208-Y392 HydrophobicContact CG2-CD2 3.93Å; K212-Y392 HydrophobicContact CD-CD2 3.94Å; K212-Y392 HydrophobicContact CD-CE1 4.35Å; K212-Y392 HydrophobicContact CD-CE2 3.67Å; K212-Y392 HydrophobicContact CD-CG 4.4Å; K212-Y392 HydrophobicContact CG-CD2 3.89Å; K212-Y392 HydrophobicContact CG-CE2 3.21Å; K212-Y392 PolarHBondContact NZ-O 3.16Å; F217-Y392 AromaticContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CZ-CE2 4.4Å; L222-Y392 HydrophobicContact CD1-CD1 4.01Å; L222-Y392 HydrophobicContact CD1-CE1 3.6Å; Q225-Y392 PolarHBondContact OE1-OH 3.03Å; L226-Y392 HydrophobicContact CD2-CD1 4.11Å; L226-Y392 HydrophobicContact CD2-CG 4.04Å; L229-Y392 HydrophobicContact CD1-CD2 3.26Å; L229-Y392 HydrophobicContact CD1-CE2 3.6Å; L229-Y392 HydrophobicContact CD1-CG 4.22Å; L388-Y392 WeakPolarHBondContact O-CB 2.89Å; L388-Y392 PolarHBondContact O-N 2.84Å; S389-Y392 PolarHBondContact O-N 3.25Å; D390-Y392 VanDerWaalsContact C-N 3.34Å; D390-Y392 PolarHBondContact O-N 3.45Å; Y392-S395 PolarHBondContact O-OG 3.08Å
393K83.6Confident78.8Confident108 Ų10867.7 Ų67.747%0.4735%0.347SS..Hα-helixtrans-71.2-33.1178-68.3166.1-178.1158.30113.2S389 D390 S395S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 2.72Å; S389-K393 PolarHBondContact OG-NZ 2.84Å; S389-K393 VanDerWaalsContact OG-NZ 3.11Å; D390-K393 PolarHBondContact O-N 3.29Å; K393-S395 VanDerWaalsContact C-N 3.26Å; K393-S395 PolarHBondContact O-N 2.91Å
394S74.9Confident78.2Confident58 Ų5869.2 Ų69.241%0.40635%0.35SS..Hα-helixtrans-72.4-19.4-178.170.10000113.8D390 M391 D396 I397D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 2.74Å; D390-S394 PolarHBondContact O-OG 2.94Å; D390-S394 VanDerWaalsContact O-OG 3.13Å; M391-S394 WeakPolarHBondContact CA-OG 3.33Å; M391-S394 PolarHBondContact O-N 3.28Å; M391-S394 PolarHBondContact O-OG 3Å; S394-D396 PolarHBondContact O-N 3.11Å; S394-I397 PolarHBondContact O-N 3.05Å
395S60Low77.3Confident26 Ų2674.4 Ų74.418%0.18238%0.376CS..THydrogen-bonded Turntrans-74.50.5179.463.20000114.5K212 M391 Y392 K393K212-S395 WeakPolarHBondContact CD-OG 3.2Å; K212-S395 WeakPolarHBondContact CE-OG 3.33Å; K212-S395 PolarHBondContact NZ-OG 2.83Å; M391-S395 PolarHBondContact O-N 3.12Å; Y392-S395 PolarHBondContact O-OG 3.08Å; K393-S395 VanDerWaalsContact C-N 3.26Å; K393-S395 PolarHBondContact O-N 2.91Å
396D52.1Low76.3Confident122 Ų12276.6 Ų76.665%0.65238%0.383SS*.THydrogen-bonded Turntrans-88.3-0.6172.4-63.9-50000113.6K212 S394K212-D396 IonicContact NZ-OD1 2.6Å; K212-D396 PolarHBondContact NZ-OD1 2.95Å; K212-D396 IonicContact NZ-OD2 3.24Å; K212-D396 PolarHBondContact NZ-OD2 3.45Å; S394-D396 PolarHBondContact O-N 3.11Å
397I38Very low75.3Confident186 Ų18666 Ų6695%0.95435%0.352SS*.  trans-1110177.3-50.3170.9000108.5S394S394-I397 PolarHBondContact O-N 3.05Å

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