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Urotensin-2 receptor

High affinity receptor for urotensin-2 and urotensin-2B. The activity of this receptor is mediated by a G-protein that activate a phosphatidylinositol-calcium second messenger system.

AlphaFold DB , UniProt , Accession A0A060Y7L7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110491328, Length 428 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
1M54.4Low56Low209 Ų209135.5 Ų135.5100%1.0365%0.645SS**  0-350-151.4171.2-166.800112.9
2T53.2Low56.1Low125 Ų125139.8 Ų139.877%0.76765%0.65SS**Hα-helixtrans-60.8-39.3174.721.60000114.4V4 R5 R6T2-V4 PolarHBondContact O-N 3.44Å; T2-R5 WeakPolarHBondContact O-CB 3.42Å; T2-R5 PolarHBondContact O-N 3.34Å; T2-R5 VanDerWaalsContact O-N 3.15Å; T2-R6 PolarHBondContact O-N 3.25Å
3D51.9Low56.1Low122 Ų122138.8 Ų138.865%0.65265%0.646SS**Hα-helixtrans-65.8-38.8-174.6-140.70.1000113.6R5 R6 S7D3-R5 PolarHBondContact O-N 3.07Å; D3-R6 PolarHBondContact O-N 3.31Å; D3-S7 PolarHBondContact O-N 3.45Å; D3-S7 VanDerWaalsContact O-N 3.12Å
4V56.5Low55.9Low98 Ų98141.4 Ų141.459%0.59465%0.647SS**Hα-helixtrans-66.8-23.6176.6-178.10000112.2T2 R8T2-V4 PolarHBondContact O-N 3.44Å; V4-R8 PolarHBondContact O-N 3.25Å
5R54.1Low55.6Low186 Ų186135.2 Ų135.270%0.70263%0.63SS**Hα-helixtrans-74.3-46.3172.2-78.4-172.9173.5176.1-1.9111.5T2 D3 S7 R8 E9T2-R5 WeakPolarHBondContact O-CB 3.42Å; T2-R5 PolarHBondContact O-N 3.34Å; T2-R5 VanDerWaalsContact O-N 3.15Å; D3-R5 PolarHBondContact O-N 3.07Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 3.02Å; R5-R8 PolarHBondContact O-N 3.36Å; R5-R8 VanDerWaalsContact O-N 3.1Å; R5-E9 PolarHBondContact O-N 3.08Å
6R55.8Low55.4Low167 Ų167135.4 Ų135.463%0.6363%0.631SS**Hα-helixtrans-57.8-45.2177.8-177.2176.3-81172.1-8.9111.7T2 D3 R8 E9 E10T2-R6 PolarHBondContact O-N 3.25Å; D3-R6 PolarHBondContact O-N 3.31Å; R6-R8 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 3.04Å; R6-E9 PolarHBondContact O-N 3.2Å; R6-E9 VanDerWaalsContact O-N 3.17Å; R6-E10 PolarHBondContact O-N 3.45Å
7S54.1Low55Low63 Ų63132.4 Ų132.444%0.44163%0.625SS.*Hα-helixtrans-60.2-38.2175.2179.70000113.6D3 R5 Q11D3-S7 PolarHBondContact O-N 3.45Å; D3-S7 VanDerWaalsContact O-N 3.12Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 3.02Å; S7-Q11 WeakPolarHBondContact O-CG 3.15Å; S7-Q11 PolarHBondContact O-N 2.99Å; S7-Q11 VanDerWaalsContact O-N 3.1Å
8R56.3Low54.5Low173 Ų173131 Ų13165%0.65362%0.622SS**Hα-helixtrans-71.6-29.9175.4-81.2-175.2174.5-175.4-0.2113.5V4 R5 R6 R12V4-R8 PolarHBondContact O-N 3.25Å; R5-R8 PolarHBondContact O-N 3.36Å; R5-R8 VanDerWaalsContact O-N 3.1Å; R6-R8 VanDerWaalsContact C-N 3.34Å; R6-R8 PolarHBondContact O-N 3.04Å; R8-R12 WeakPolarHBondContact O-CB 3.45Å; R8-R12 WeakPolarHBondContact O-CG 3.15Å; R8-R12 PolarHBondContact O-N 2.95Å
9E63.2Low54.1Low120 Ų120130.1 Ų130.156%0.56162%0.62SS**Hα-helixtrans-72.8-42.1176-75168.7171.700111.2R5 R6 Q11 R12 Q13R5-E9 PolarHBondContact O-N 3.08Å; R6-E9 PolarHBondContact O-N 3.2Å; R6-E9 VanDerWaalsContact O-N 3.17Å; E9-Q11 PolarHBondContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 2.91Å; E9-Q13 PolarHBondContact O-N 3.27Å
10E58.7Low53.6Low95 Ų95126.7 Ų126.744%0.44462%0.615SS.*Hα-helixtrans-62.7-40.2172.7-71.1178.5-166.900112.5R6 Q13 R14R6-E10 PolarHBondContact O-N 3.45Å; E10-Q13 PolarHBondContact O-N 3.28Å; E10-R14 WeakPolarHBondContact O-CG 3.39Å; E10-R14 PolarHBondContact O-N 3.04Å
11Q57.3Low52.9Low133 Ų133126.3 Ų126.362%0.62162%0.615SS**Hα-helixtrans-65.3-37173.6-77.7-173.1-18.400112.7S7 E9 A15S7-Q11 WeakPolarHBondContact O-CG 3.15Å; S7-Q11 PolarHBondContact O-N 2.99Å; S7-Q11 VanDerWaalsContact O-N 3.1Å; E9-Q11 PolarHBondContact O-N 3.15Å; Q11-A15 WeakPolarHBondContact O-CB 3.25Å; Q11-A15 PolarHBondContact O-N 3.2Å
12R57.3Low52.3Low186 Ų186121.3 Ų121.370%0.70260%0.596SS**Hα-helixtrans-66.5-40.3174.6-80.6176.3170.1-169.8-5112.2R8 E9 A15 Q16R8-R12 WeakPolarHBondContact O-CB 3.45Å; R8-R12 WeakPolarHBondContact O-CG 3.15Å; R8-R12 PolarHBondContact O-N 2.95Å; E9-R12 PolarHBondContact O-N 2.91Å; R12-A15 PolarHBondContact O-N 3.39Å; R12-Q16 WeakPolarHBondContact O-CG 3.32Å; R12-Q16 PolarHBondContact O-N 3.16Å
13Q56Low51.5Low128 Ų128121.7 Ų121.760%0.59859%0.594SS**Hα-helixtrans-66.1-40.8176.5-75.9180-17.300112.5E9 E10 Q16 T17E9-Q13 PolarHBondContact O-N 3.27Å; E10-Q13 PolarHBondContact O-N 3.28Å; Q13-Q16 PolarHBondContact O-N 3.24Å; Q13-T17 PolarHBondContact O-N 3.23Å; Q13-T17 PolarHBondContact O-OG1 3.46Å
14R53.5Low50.8Low174 Ų174121.1 Ų121.166%0.65760%0.595SS**Hα-helixtrans-61.6-48.2172.3-68.6-176.7-165.4-1666111.6E10 Q16 T17 D18E10-R14 WeakPolarHBondContact O-CG 3.39Å; E10-R14 PolarHBondContact O-N 3.04Å; R14-Q16 VanDerWaalsContact C-N 3.31Å; R14-Q16 PolarHBondContact O-N 2.98Å; R14-T17 WeakPolarHBondContact O-CB 3.24Å; R14-T17 PolarHBondContact O-N 2.96Å; R14-D18 PolarHBondContact O-N 2.95Å
15A52.2Low49.7Very low49 Ų49124.3 Ų124.341%0.40560%0.603SS.*Hα-helixtrans-60.2-36.2177.100000113.5Q11 R12 I19Q11-A15 WeakPolarHBondContact O-CB 3.25Å; Q11-A15 PolarHBondContact O-N 3.2Å; R12-A15 PolarHBondContact O-N 3.39Å; A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 VanDerWaalsContact O-CG1 3.26Å; A15-I19 WeakPolarHBondContact O-CG1 3.23Å; A15-I19 PolarHBondContact O-N 3.3Å; A15-I19 VanDerWaalsContact O-N 3.13Å
16Q52.7Low48.7Very low138 Ų138121.5 Ų121.565%0.64561%0.609SS**Hα-helixtrans-71.7-31.1174.4-76.5177.9-4700113R12 Q13 R14 A20R12-Q16 WeakPolarHBondContact O-CG 3.32Å; R12-Q16 PolarHBondContact O-N 3.16Å; Q13-Q16 PolarHBondContact O-N 3.24Å; R14-Q16 VanDerWaalsContact C-N 3.31Å; R14-Q16 PolarHBondContact O-N 2.98Å; Q16-A20 PolarHBondContact O-N 3.33Å; Q16-A20 VanDerWaalsContact O-N 3.11Å
17T48.7Very low47.5Very low85 Ų85117.5 Ų117.552%0.52161%0.612SS.*Hα-helixtrans-70.8-39.2175.6-50.40000111.2Q13 R14 A20 N21Q13-T17 PolarHBondContact O-N 3.23Å; Q13-T17 PolarHBondContact O-OG1 3.46Å; R14-T17 WeakPolarHBondContact O-CB 3.24Å; R14-T17 PolarHBondContact O-N 2.96Å; T17-A20 PolarHBondContact O-N 3.41Å; T17-N21 PolarHBondContact O-N 3.36Å
18D44.4Very low46.4Very low107 Ų107120.5 Ų120.557%0.57263%0.63SS**Hα-helixtrans-67.4-39175-68.8-32.5000112R14 A20 N21 V22R14-D18 PolarHBondContact O-N 2.95Å; D18-A20 VanDerWaalsContact C-N 3.31Å; D18-A20 PolarHBondContact O-N 3.37Å; D18-N21 PolarHBondContact O-N 3.47Å; D18-V22 WeakPolarHBondContact O-CG2 3.47Å; D18-V22 PolarHBondContact O-N 2.92Å
19I48.2Very low45.3Very low114 Ų114118.4 Ų118.459%0.58564%0.636SS**Hα-helixtrans-65.6-33.1174.8-68.9165.8000111.7A15A15-I19 WeakPolarHBondContact O-CD1 3.44Å; A15-I19 VanDerWaalsContact O-CG1 3.26Å; A15-I19 WeakPolarHBondContact O-CG1 3.23Å; A15-I19 PolarHBondContact O-N 3.3Å; A15-I19 VanDerWaalsContact O-N 3.13Å
20A43.8Very low43.5Very low62 Ų62123.4 Ų123.451%0.51265%0.649SS.*Hα-helixtrans-68-35.8175.100000112.7Q16 T17 D18Q16-A20 PolarHBondContact O-N 3.33Å; Q16-A20 VanDerWaalsContact O-N 3.11Å; T17-A20 PolarHBondContact O-N 3.41Å; D18-A20 VanDerWaalsContact C-N 3.31Å; D18-A20 PolarHBondContact O-N 3.37Å
21N38.8Very low42.1Very low118 Ų118127.7 Ų127.763%0.63167%0.667SS**Hα-helixtrans-78.2-15-179.7-99.2-15000114.8T17 D18 T24T17-N21 PolarHBondContact O-N 3.36Å; D18-N21 PolarHBondContact O-N 3.47Å; N21-T24 PolarHBondContact O-OG1 3.38Å
22V42.4Very low40.8Very low104 Ų104126.2 Ų126.263%0.6367%0.667SS**Hα-helixtrans-78.2-21.6174.5172.60000112.2D18D18-V22 WeakPolarHBondContact O-CG2 3.47Å; D18-V22 PolarHBondContact O-N 2.92Å
23N35.3Very low39.4Very low133 Ų133123.2 Ų123.271%0.71168%0.675SS**THydrogen-bonded Turntrans-89.45.9-175.8-78.2-30.8000115.2
24T37.8Very low38.2Very low111 Ų111126.6 Ų126.668%0.68169%0.687SS**  trans-97.741.8170.141.70000112.7N21N21-T24 PolarHBondContact O-OG1 3.38Å
25Q32.8Very low37Very low165 Ų165124.4 Ų124.477%0.77169%0.688SS**PPolyproline II helixtrans-82.5129158.2-71.2-171.4-11.400109.8A27Q25-A27 PolarHBondContact O-N 3.08Å
26P32.8Very low35.9Very low127 Ų127129.5 Ų129.583%0.82571%0.709SS**PPolyproline II helixtrans-62.9135.2168.126.9-32.4000109.6
27A32.3Very low34.7Very low82 Ų82128.6 Ų128.668%0.67872%0.716SS**PPolyproline II helixtrans-53.9150.7-175.300000113Q25 V29Q25-A27 PolarHBondContact O-N 3.08Å; A27-V29 PolarHBondContact O-N 3.47Å
28P29.6Very low33.8Very low127 Ų127129 Ų12983%0.82572%0.722SS**  trans-62.5110.3-179.925.8-34.6000110.8R30P28-R30 PolarHBondContact O-N 3.45Å; P28-R30 VanDerWaalsContact O-N 3.16Å
29V33.3Very low33Very low128 Ų128128.6 Ų128.678%0.77672%0.722SS**  trans-60.9118.8171.8-179.80000108A27 F31A27-V29 PolarHBondContact O-N 3.47Å; V29-F31 PolarHBondContact O-N 3.29Å
30R24.8Very low32.2Very low225 Ų225130 Ų13085%0.84972%0.724SS**  trans-55.7100.3-176.6-76.8-178.8174.3174.5-2.2111.7P28 T32P28-R30 PolarHBondContact O-N 3.45Å; P28-R30 VanDerWaalsContact O-N 3.16Å; R30-T32 PolarHBondContact O-N 2.9Å
31F29.5Very low31.9Very low186 Ų186129.1 Ų129.182%0.81671%0.708SS**  trans-78.761.8172.4-116.3-87.2000111.2V29 L35V29-F31 PolarHBondContact O-N 3.29Å; F31-L35 HydrophobicContact CD1-CD1 4.2Å
32T29.9Very low32.1Very low101 Ų101123.7 Ų123.762%0.6268%0.679SS**  trans-134.8126.6179.450.80000111.1R30R30-T32 PolarHBondContact O-N 2.9Å
33S29.6Very low31.6Very low123 Ų123119 Ų11986%0.8665%0.65SS**SBendtrans97.714.1173.182.60000120.5
34K29.7Very low31.6Very low199 Ų199113 Ų11387%0.86562%0.619SS**  trans-132.825.4160.2-73.1-165.8178.3-179.50115.8N36K34-N36 PolarHBondContact O-N 3.28Å
35L28.1Very low31.6Very low129 Ų129108.2 Ų108.268%0.67559%0.59SS**  trans-81.693.3162.9-94.276.4000109.6F31F31-L35 HydrophobicContact CD1-CD1 4.2Å
36N29.8Very low31.9Very low156 Ų156101.2 Ų101.283%0.83456%0.557SS**SBendtrans-174.6122.4149.8-93.3-25.8000107.5K34K34-N36 PolarHBondContact O-N 3.28Å
37C26.5Very low32.3Very low119 Ų11995.4 Ų95.480%0.80452%0.519SS*.  trans88.254.8-167.4-60.60000117Y41C37-Y41 PolarHBondContact O-OH 2.8Å
38C30.1Very low32.7Very low94 Ų9493.3 Ų93.364%0.63550%0.498SS*.  trans-115.682.9160.5-72.90000110.8Y41C38-Y41 WeakPolarHBondContact CA-OH 3.49Å
39V28.2Very low33.2Very low97 Ų9787.5 Ų87.559%0.58846%0.46SS*.  trans-130.767.7174.9-173.40000109.2
40F31.7Very low33.5Very low143 Ų14382.9 Ų82.963%0.62743%0.431SS*.  trans65.5158.9158.9-49.3-98.6000118.2F149F40-F149 VanDerWaalsContact C-CE2 3.48Å; F40-F149 HydrophobicContact CB-CD2 3.81Å; F40-F149 HydrophobicContact CB-CE1 3.78Å; F40-F149 HydrophobicContact CB-CE2 3.11Å; F40-F149 HydrophobicContact CB-CZ 3.08Å; F40-F149 HydrophobicContact CG-CE2 4.26Å; F40-F149 HydrophobicContact CG-CZ 4.1Å; F40-F149 WeakPolarHBondContact O-CA 3.47Å; F40-F149 WeakPolarHBondContact O-CD2 3.46Å; F40-F149 WeakPolarHBondContact O-CG 3.49Å
41Y36.6Very low34.2Very low45 Ų4573.1 Ų73.118%0.17640%0.395CS..  trans-150.286.5-146.8-62.3-78.5000122.7C37 C38 F149 C152 F161 L169C37-Y41 PolarHBondContact O-OH 2.8Å; C38-Y41 WeakPolarHBondContact CA-OH 3.49Å; Y41-F149 VanDerWaalsContact CA-CG 3.48Å; Y41-C152 HydrophobicContact CD1-CB 3.64Å; Y41-C152 HydrophobicContact CE1-CB 3.72Å; Y41-F161 VanDerWaalsContact CB-CE1 3.42Å; Y41-F161 AromaticContact CD1-CE1 3.93Å; Y41-F161 HydrophobicContact CD1-CE1 3.93Å; Y41-F161 AromaticContact CD1-CE2 3.98Å; Y41-F161 HydrophobicContact CD1-CE2 3.98Å; Y41-F161 AromaticContact CD1-CZ 3.37Å; Y41-F161 HydrophobicContact CD1-CZ 3.37Å; Y41-F161 AromaticContact CD2-CD1 3.78Å; Y41-F161 HydrophobicContact CD2-CD1 3.78Å; Y41-F161 AromaticContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE2 4.43Å; Y41-F161 AromaticContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CD2-CZ 3.49Å; Y41-F161 VanDerWaalsContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CE1-CE1 4.44Å; Y41-F161 AromaticContact CE1-CZ 3.98Å; Y41-F161 HydrophobicContact CE1-CZ 3.98Å; Y41-F161 AromaticContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CZ 4.09Å; Y41-F161 AromaticContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD2 4.35Å; Y41-F161 AromaticContact CG-CE1 3.2Å; Y41-F161 HydrophobicContact CG-CE1 3.2Å; Y41-F161 AromaticContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CG 4.48Å; Y41-F161 AromaticContact CG-CZ 3.07Å; Y41-F161 HydrophobicContact CG-CZ 3.07Å; Y41-L169 WeakPolarHBondContact O-CD1 3.45Å
42N43.2Very low34.7Very low3 Ų367.6 Ų67.62%0.01637%0.372CS..  trans175.7146.2156.6-120.4-93.2000123.7T45 T146 F149 W159 L169N42-T45 PolarHBondContact OD1-OG1 2.86Å; N42-T146 WeakPolarHBondContact O-CB 3.4Å; N42-F149 WeakPolarHBondContact CA-O 3.29Å; N42-F149 PolarHBondContact N-O 3.42Å; N42-F149 VanDerWaalsContact N-O 3.16Å; N42-W159 VanDerWaalsContact CG-CH2 3.45Å; N42-W159 WeakPolarHBondContact ND2-CH2 3.43Å; N42-W159 WeakPolarHBondContact ND2-CZ3 3.16Å; N42-W159 VanDerWaalsContact OD1-CZ3 3.25Å; N42-W159 WeakPolarHBondContact OD1-CZ3 3.48Å; N42-L169 HydrophobicContact CB-CB 3.55Å; N42-L169 HydrophobicContact CB-CD1 3.85Å; N42-L169 HydrophobicContact CB-CG 4.32Å
43F33Very low35Very low6 Ų665.1 Ų65.13%0.02635%0.353CS..SBendtrans-173.4-24.7142.7-179.3-88.9000110.5T45 I46 V150 D173 A354 Y358F43-T45 PolarHBondContact O-N 3.22Å; F43-I46 HydrophobicContact CD2-CD1 4.16Å; F43-I46 HydrophobicContact CE2-CD1 4.4Å; F43-I46 PolarHBondContact O-N 3.48Å; F43-V150 HydrophobicContact CB-CB 4.02Å; F43-V150 HydrophobicContact CB-CG1 4Å; F43-V150 HydrophobicContact CB-CG2 3.31Å; F43-V150 HydrophobicContact CD1-CG1 4.45Å; F43-V150 HydrophobicContact CG-CG2 4.21Å; F43-D173 WeakPolarHBondContact CD2-OD1 3.43Å; F43-D173 WeakPolarHBondContact CE2-OD1 3.43Å; F43-D173 VanDerWaalsContact CE2-OD2 3.29Å; F43-D173 WeakPolarHBondContact CE2-OD2 3.45Å; F43-A354 HydrophobicContact CE1-CB 3.57Å; F43-A354 HydrophobicContact CZ-CB 4.12Å; F43-Y358 WeakPolarHBondContact CB-OH 3.35Å; F43-Y358 HydrophobicContact CD1-CE2 4.08Å; F43-Y358 HydrophobicContact CD2-CE2 4.1Å; F43-Y358 AromaticContact CD2-CZ 3.7Å; F43-Y358 WeakPolarHBondContact CD2-OH 3.48Å; F43-Y358 HydrophobicContact CE1-CE2 4.16Å; F43-Y358 HydrophobicContact CE2-CE2 4.13Å; F43-Y358 AromaticContact CE2-CZ 3.95Å; F43-Y358 HydrophobicContact CG-CE2 4.07Å; F43-Y358 AromaticContact CG-CZ 3.95Å; F43-Y358 WeakPolarHBondContact CG-OH 3.49Å; F43-Y358 HydrophobicContact CZ-CE2 4.16Å
44S34.5Very low35.6Very low7 Ų762 Ų625%0.04932%0.323CS..Hα-helixtrans-51.9-36.7-175.5-173.20000110.9I46 N47 T48 T153S44-I46 PolarHBondContact O-N 2.97Å; S44-N47 PolarHBondContact O-N 3.23Å; S44-T48 PolarHBondContact O-N 3Å; S44-T48 PolarHBondContact O-OG1 3.42Å; S44-T153 WeakPolarHBondContact CB-OG1 3.45Å
45T37.8Very low36Very low11 Ų1156.2 Ų56.27%0.06730%0.301CS..Hα-helixtrans-62.5-39.1-175.7-32.80000111.5N42 F43 N47 T48 I49 W159 C247N42-T45 PolarHBondContact OD1-OG1 2.86Å; F43-T45 PolarHBondContact O-N 3.22Å; T45-N47 PolarHBondContact O-N 3.46Å; T45-T48 PolarHBondContact O-N 3.37Å; T45-I49 HydrophobicContact CG2-CD1 3.64Å; T45-I49 HydrophobicContact CG2-CG1 4.14Å; T45-I49 VanDerWaalsContact O-CB 3.26Å; T45-I49 WeakPolarHBondContact O-CB 3.33Å; T45-I49 WeakPolarHBondContact O-CD1 3.43Å; T45-I49 WeakPolarHBondContact O-CG1 3.43Å; T45-I49 PolarHBondContact O-N 3.26Å; T45-W159 HydrophobicContact CG2-CE3 3.52Å; T45-W159 HydrophobicContact CG2-CZ3 3.75Å; T45-W159 VanDerWaalsContact OG1-CE3 3.25Å; T45-W159 WeakPolarHBondContact OG1-CZ3 3.47Å; T45-C247 HydrophobicContact CG2-CB 4.11Å
46I39.6Very low36.3Very low18 Ų1853.2 Ų53.29%0.09229%0.286CS..Hα-helixtrans-52.8-53.1175.5-64.9174.7000110.6F43 S44 I49 L50 L170F43-I46 HydrophobicContact CD2-CD1 4.16Å; F43-I46 HydrophobicContact CE2-CD1 4.4Å; F43-I46 PolarHBondContact O-N 3.48Å; S44-I46 PolarHBondContact O-N 2.97Å; I46-I49 PolarHBondContact O-N 3.19Å; I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 WeakPolarHBondContact O-CD1 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.32Å; I46-L50 PolarHBondContact O-N 3.09Å; I46-L50 VanDerWaalsContact O-N 3.08Å; I46-L170 HydrophobicContact CD1-CD2 4.35Å; I46-L170 HydrophobicContact CD1-CG 3.99Å; I46-L170 HydrophobicContact CG1-CD1 4.45Å; I46-L170 HydrophobicContact CG1-CD2 3.62Å; I46-L170 HydrophobicContact CG1-CG 3.6Å
47N39.8Very low36.6Very low4 Ų449.6 Ų49.62%0.02127%0.266CS..Hα-helixtrans-70.5-38.1-179.9-83.2-19.5000112.7S44 T45 I49 L50 L51 N350S44-N47 PolarHBondContact O-N 3.23Å; T45-N47 PolarHBondContact O-N 3.46Å; N47-I49 PolarHBondContact O-N 3.07Å; N47-L50 PolarHBondContact O-N 3.1Å; N47-L51 VanDerWaalsContact O-CB 3.27Å; N47-L51 WeakPolarHBondContact O-CB 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.28Å; N47-L51 PolarHBondContact O-N 3.43Å; N47-N350 HydrophobicContact CB-CB 4.29Å; N47-N350 PolarHBondContact ND2-O 3.19Å
48T42.3Very low36.9Very low38 Ų3845.5 Ų45.523%0.23324%0.244CC..Hα-helixtrans-62.5-31.3174.4-50.70000112.1S44 T45 L51 Q52S44-T48 PolarHBondContact O-N 3Å; S44-T48 PolarHBondContact O-OG1 3.42Å; T45-T48 PolarHBondContact O-N 3.37Å; T48-L51 WeakPolarHBondContact O-CB 3.11Å; T48-Q52 VanDerWaalsContact O-CB 3.29Å; T48-Q52 WeakPolarHBondContact O-CB 3.36Å; T48-Q52 PolarHBondContact O-N 2.85Å
49I38.9Very low37.3Very low6 Ų647.9 Ų47.93%0.03125%0.246CC..Hα-helixtrans-74.7-43.9178.7-71.1163.2000111.7T45 I46 N47 L51 Q52 Q53 C247 P249T45-I49 HydrophobicContact CG2-CD1 3.64Å; T45-I49 HydrophobicContact CG2-CG1 4.14Å; T45-I49 VanDerWaalsContact O-CB 3.26Å; T45-I49 WeakPolarHBondContact O-CB 3.33Å; T45-I49 WeakPolarHBondContact O-CD1 3.43Å; T45-I49 WeakPolarHBondContact O-CG1 3.43Å; T45-I49 PolarHBondContact O-N 3.26Å; I46-I49 PolarHBondContact O-N 3.19Å; N47-I49 PolarHBondContact O-N 3.07Å; I49-L51 PolarHBondContact O-N 3.41Å; I49-Q52 PolarHBondContact O-N 3.42Å; I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.42Å; I49-C247 HydrophobicContact CD1-CB 3.38Å; I49-C247 WeakPolarHBondContact CD1-O 3.45Å; I49-C247 WeakPolarHBondContact CG1-O 3.37Å; I49-P249 VanDerWaalsContact CG2-CD 3.43Å; I49-P249 HydrophobicContact CG2-CG 4.42Å
50L39.8Very low37.5Very low30 Ų3046.5 Ų46.516%0.15724%0.244CC..Hα-helixtrans-70.6-27.3177.2-59.7166.6000110.6I46 N47 Y256 R346I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 WeakPolarHBondContact O-CD1 3.25Å; I46-L50 WeakPolarHBondContact O-CG 3.32Å; I46-L50 PolarHBondContact O-N 3.09Å; I46-L50 VanDerWaalsContact O-N 3.08Å; N47-L50 PolarHBondContact O-N 3.1Å; L50-Y256 HydrophobicContact CD2-CE1 4.42Å; L50-Y256 WeakPolarHBondContact CD2-OH 3.35Å; L50-R346 PolarHBondContact O-NH2 3.15Å
51L40.3Very low37.7Very low20 Ų2044.8 Ų44.811%0.10524%0.241CC..Hα-helixtrans-63.1-55163.7-76.5170.4000111.7N47 T48 I49 N55 R346 N350N47-L51 VanDerWaalsContact O-CB 3.27Å; N47-L51 WeakPolarHBondContact O-CB 3.49Å; N47-L51 WeakPolarHBondContact O-CG 3.28Å; N47-L51 PolarHBondContact O-N 3.43Å; T48-L51 WeakPolarHBondContact O-CB 3.11Å; I49-L51 PolarHBondContact O-N 3.41Å; L51-N55 PolarHBondContact O-OD1 3.33Å; L51-R346 HydrophobicContact CD2-CG 3.8Å; L51-R346 VanDerWaalsContact CD2-CZ 3.5Å; L51-R346 PolarHBondContact O-NH1 3.41Å; L51-N350 WeakPolarHBondContact CD2-ND2 3.23Å; L51-N350 WeakPolarHBondContact CG-ND2 3.4Å
52Q39.1Very low37.8Very low70 Ų7051 Ų5133%0.32726%0.264SS..Hα-helixtrans-78.3-38.6-169.8-152.975-6.800114.4T48 I49 R54 N55 D56 K236 M246T48-Q52 VanDerWaalsContact O-CB 3.29Å; T48-Q52 WeakPolarHBondContact O-CB 3.36Å; T48-Q52 PolarHBondContact O-N 2.85Å; I49-Q52 PolarHBondContact O-N 3.42Å; Q52-R54 PolarHBondContact O-N 2.65Å; Q52-N55 WeakPolarHBondContact O-CB 3.45Å; Q52-N55 PolarHBondContact O-N 3.13Å; Q52-D56 PolarHBondContact O-N 3.22Å; Q52-K236 HydrophobicContact CG-CD 4.46Å; Q52-M246 HydrophobicContact CG-SD 4.29Å
53Q37.2Very low37.4Very low49 Ų4952.9 Ų52.923%0.22928%0.284CS..Hα-helixtrans-58.6-34.8172.6-94.3-159.2-21.300111.8I49 N55 I57 P249I49-Q53 WeakPolarHBondContact O-CB 3.43Å; I49-Q53 PolarHBondContact O-N 3.42Å; Q53-N55 VanDerWaalsContact C-N 3.29Å; Q53-N55 PolarHBondContact O-N 3.07Å; Q53-I57 WeakPolarHBondContact O-CB 3.45Å; Q53-I57 WeakPolarHBondContact O-CD1 3.49Å; Q53-I57 WeakPolarHBondContact O-CG1 3.46Å; Q53-I57 PolarHBondContact O-N 3.15Å; Q53-P249 PolarHBondContact NE2-O 3.2Å
54R42.3Very low37.8Very low59 Ų5956.3 Ų56.322%0.22331%0.314CS..Hα-helixtrans-68-28.1174.7173.6164.7137.1-1672.1112.6Q52 G58 L339 R346Q52-R54 PolarHBondContact O-N 2.65Å; R54-G58 PolarHBondContact O-N 2.97Å; R54-L339 PolarHBondContact NH2-O 3.01Å; R54-R346 VanDerWaalsContact CD-CZ 3.47Å
55N37Very low38.1Very low76 Ų7662.6 Ų62.641%0.40634%0.344SS..Hα-helixtrans-75.3-51.3176.3-66-1.8000109.8L51 Q52 Q53 I57 G58 E59 R346L51-N55 PolarHBondContact O-OD1 3.33Å; Q52-N55 WeakPolarHBondContact O-CB 3.45Å; Q52-N55 PolarHBondContact O-N 3.13Å; Q53-N55 VanDerWaalsContact C-N 3.29Å; Q53-N55 PolarHBondContact O-N 3.07Å; N55-I57 PolarHBondContact O-N 2.84Å; N55-G58 CarbonylContact O-C 3.32Å; N55-G58 WeakPolarHBondContact O-CA 3.31Å; N55-G58 PolarHBondContact O-N 3.46Å; N55-G58 VanDerWaalsContact O-N 3.09Å; N55-E59 PolarHBondContact O-N 2.85Å; N55-R346 PolarHBondContact OD1-NH1 3.07Å
56D33.8Very low38.4Very low67 Ų6767.5 Ų67.536%0.35837%0.37SS..Hα-helixtrans-56.2-46.5176.6-69.734.6000113.2Q52 G58 E59 A60 K236Q52-D56 PolarHBondContact O-N 3.22Å; D56-G58 VanDerWaalsContact C-N 3.28Å; D56-G58 PolarHBondContact O-N 3.28Å; D56-E59 PolarHBondContact O-N 3.14Å; D56-A60 WeakPolarHBondContact O-CB 3.3Å; D56-A60 PolarHBondContact O-N 3.41Å; D56-K236 IonicContact OD1-NZ 2.73Å; D56-K236 PolarHBondContact OD1-NZ 3.44Å; D56-K236 WeakPolarHBondContact OD2-CE 3.44Å; D56-K236 IonicContact OD2-NZ 2.71Å; D56-K236 PolarHBondContact OD2-NZ 3.26Å
57I37.6Very low38.5Very low79 Ų7974.7 Ų74.741%0.40540%0.403SS..Hα-helixtrans-66.9-34.2179.4-67.4167.7000110.5Q53 N55 L61Q53-I57 WeakPolarHBondContact O-CB 3.45Å; Q53-I57 WeakPolarHBondContact O-CD1 3.49Å; Q53-I57 WeakPolarHBondContact O-CG1 3.46Å; Q53-I57 PolarHBondContact O-N 3.15Å; N55-I57 PolarHBondContact O-N 2.84Å; I57-L61 HydrophobicContact CG2-CD1 4.02Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 WeakPolarHBondContact O-CD1 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.5Å; I57-L61 PolarHBondContact O-N 3Å
58G32.7Very low38.5Very low33 Ų3382 Ų8234%0.3444%0.442SS..Hα-helixtrans-67.5-38.4173.900000113.2R54 N55 D56 R62R54-G58 PolarHBondContact O-N 2.97Å; N55-G58 CarbonylContact O-C 3.32Å; N55-G58 WeakPolarHBondContact O-CA 3.31Å; N55-G58 PolarHBondContact O-N 3.46Å; N55-G58 VanDerWaalsContact O-N 3.09Å; D56-G58 VanDerWaalsContact C-N 3.28Å; D56-G58 PolarHBondContact O-N 3.28Å; G58-R62 WeakPolarHBondContact O-CB 3.29Å; G58-R62 PolarHBondContact O-N 3.34Å
59E37.3Very low38.2Very low145 Ų14585.6 Ų85.668%0.67847%0.469SS*.Hα-helixtrans-74.2-40.2176.1-72.7-172.9168.700112.4N55 D56 L61 R62 G63N55-E59 PolarHBondContact O-N 2.85Å; D56-E59 PolarHBondContact O-N 3.14Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 3.44Å; E59-R62 CarbonylContact O-C 3.6Å; E59-R62 PolarHBondContact O-N 3.33Å; E59-R62 VanDerWaalsContact O-N 3.17Å; E59-G63 PolarHBondContact O-N 2.92Å
60A33.5Very low37.9Very low68 Ų6892 Ų9256%0.56251%0.508SS*.Hα-helixtrans-61.3-40.6173.400000112D56 G63 A64D56-A60 WeakPolarHBondContact O-CB 3.3Å; D56-A60 PolarHBondContact O-N 3.41Å; A60-G63 PolarHBondContact O-N 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.32Å; A60-A64 PolarHBondContact O-N 3.02Å
61L35.7Very low38Very low107 Ų10796.4 Ų96.456%0.5654%0.536SS*.Hα-helixtrans-69.4-34.7173.4-77.6165.4000112.7I57 E59 M65I57-L61 HydrophobicContact CG2-CD1 4.02Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 WeakPolarHBondContact O-CD1 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.5Å; I57-L61 PolarHBondContact O-N 3Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 3.44Å; L61-M65 WeakPolarHBondContact O-CG 3.24Å; L61-M65 PolarHBondContact O-N 3.47Å; L61-M65 VanDerWaalsContact O-N 3.17Å
62R37.8Very low37.5Very low175 Ų175103 Ų10366%0.6657%0.571SS**Hα-helixtrans-67-42171.5-95.7-175.4166-147.4-5112.4G58 E59 A64 M65 N66G58-R62 WeakPolarHBondContact O-CB 3.29Å; G58-R62 PolarHBondContact O-N 3.34Å; E59-R62 CarbonylContact O-C 3.6Å; E59-R62 PolarHBondContact O-N 3.33Å; E59-R62 VanDerWaalsContact O-N 3.17Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.49Å; R62-M65 PolarHBondContact O-N 3.4Å; R62-N66 WeakPolarHBondContact O-CB 3.28Å; R62-N66 PolarHBondContact O-N 3.03Å
63G36.1Very low37.4Very low43 Ų43107.8 Ų107.844%0.44359%0.593SS.*Hα-helixtrans-60.5-42.2175.300000112E59 A60 M65 N66E59-G63 PolarHBondContact O-N 2.92Å; A60-G63 PolarHBondContact O-N 3.25Å; G63-M65 VanDerWaalsContact C-N 3.33Å; G63-M65 PolarHBondContact O-N 2.98Å; G63-N66 PolarHBondContact O-N 3.39Å
64A40.7Very low37Very low77 Ų77112.7 Ų112.764%0.63662%0.621SS**Hα-helixtrans-66.3-29.2175.600000114A60 R62A60-A64 WeakPolarHBondContact O-CB 3.32Å; A60-A64 PolarHBondContact O-N 3.02Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.49Å
65M41.8Very low36.9Very low140 Ų140116.4 Ų116.469%0.6965%0.651SS**Hα-helixtrans-86.8-24.7176.4-69.3-172.3-54.300114L61 R62 G63L61-M65 WeakPolarHBondContact O-CG 3.24Å; L61-M65 PolarHBondContact O-N 3.47Å; L61-M65 VanDerWaalsContact O-N 3.17Å; R62-M65 PolarHBondContact O-N 3.4Å; G63-M65 VanDerWaalsContact C-N 3.33Å; G63-M65 PolarHBondContact O-N 2.98Å
66N42.8Very low36.7Very low114 Ų114118 Ų11861%0.6167%0.667SS**SBendtrans-87.70.5-175-78.13.1000114.4R62 G63 N68R62-N66 WeakPolarHBondContact O-CB 3.28Å; R62-N66 PolarHBondContact O-N 3.03Å; G63-N66 PolarHBondContact O-N 3.39Å; N66-N68 PolarHBondContact O-N 2.9Å
67H42.7Very low36.8Very low168 Ų168122.7 Ų122.778%0.77869%0.692SS**THydrogen-bonded Turntrans-72.211.1-174.8-139.4-57.9000115
68N39.8Very low36.8Very low158 Ų158124.7 Ų124.785%0.84571%0.71SS**THydrogen-bonded Turntrans-132.315.3-168.8-121.926.8000115.6N66N66-N68 PolarHBondContact O-N 2.9Å
69S34.6Very low36.7Very low114 Ų114127.6 Ų127.680%0.79773%0.73SS**  trans-136.2121.9173.6-670000112.6
70T34.4Very low37.2Very low141 Ų141126.1 Ų126.187%0.86573%0.733SS**  trans-72.2142.7-178.733.60000114.7
71V41.2Very low37.6Very low121 Ų121131 Ų13173%0.73375%0.75SS**  trans-1.9128.5152.5-178.40000117.9
72N29.8Very low37.9Very low158 Ų158131 Ų13185%0.84576%0.759SS**  -155.1131.3126.4-99.4-21.5000110.5
73Q36.9Very low38.4Very low171 Ų171124.8 Ų124.880%0.79975%0.75SS**  trans-104.3119.4180-74-176-1600110.6
74N28.2Very low38.9Very low152 Ų152127.4 Ų127.481%0.81376%0.761SS**  trans-117.3111.9163.4-68.328.8000107.7
75V41Very low39.6Very low138 Ų138125.9 Ų125.984%0.83675%0.753SS**  trans-77.4125.6-178.3176.60000110.1
76S33Very low40.5Very low109 Ų109121.9 Ų121.976%0.76274%0.739SS**  trans-127.7133.9166.454.40000110.3
77L34.8Very low41.5Very low165 Ų165122.1 Ų122.186%0.86474%0.739SS**PPolyproline II helixtrans-66.1141.9-175.1-70154.7000111.5
78P37.6Very low42.7Very low121 Ų121117.9 Ų117.979%0.78673%0.725SS**PPolyproline II helixtrans-77.1128.6178.430.7-33.4000111.7
79A30.6Very low44.1Very low94 Ų94114.5 Ų114.578%0.77771%0.706SS**PPolyproline II helixtrans-78130.9168.300000110.6
80P47.8Very low45.6Very low114 Ų114111.6 Ų111.674%0.7468%0.68SS**  trans-86.3115.2174.932.3-29.9000110.3
81N41.6Very low47.4Very low170 Ų170110.1 Ų110.191%0.90967%0.667SS**  trans175.673.7149.4-91.5-24.1000112.4
82S42.4Very low49.1Very low108 Ų108108.2 Ų108.276%0.75566%0.655SS**  trans-151.716.3173.552.80000114.6
83G48.4Very low51.1Low45 Ų45102.7 Ų102.746%0.46463%0.625SS.*SBendtrans-94.5-23.3-176.500000116.4S86 I87G83-S86 PolarHBondContact O-OG 3.11Å; G83-I87 WeakPolarHBondContact O-CD1 3.49Å; G83-I87 WeakPolarHBondContact O-CG1 3.46Å
84S46.7Very low52.7Low97 Ų9794.8 Ų94.868%0.67859%0.589SS**Hα-helixtrans-80-49.4-170.7-170.30000113.2S86 I87 V88S84-S86 PolarHBondContact O-N 3.39Å; S84-I87 PolarHBondContact O-N 3.22Å; S84-V88 PolarHBondContact O-N 3.21Å
85G56.2Low55Low45 Ų4590.4 Ų90.446%0.46457%0.57SS.*Hα-helixtrans-63-40.9-176.900000113.7I87 V88 D89G85-I87 VanDerWaalsContact C-N 3.34Å; G85-I87 PolarHBondContact O-N 3.14Å; G85-V88 PolarHBondContact O-N 3.27Å; G85-D89 PolarHBondContact O-N 3.09Å
86S60.8Low56.9Low56 Ų5688 Ų8839%0.39256%0.555SS.*Hα-helixtrans-65.2-33.7-179.750.80000113.5G83 S84 E90G83-S86 PolarHBondContact O-OG 3.11Å; S84-S86 PolarHBondContact O-N 3.39Å; S86-E90 WeakPolarHBondContact O-CB 3.24Å; S86-E90 WeakPolarHBondContact O-CG 3.45Å; S86-E90 PolarHBondContact O-N 2.91Å; S86-E90 VanDerWaalsContact O-N 3.1Å
87I62.8Low59.1Low119 Ų11983.4 Ų83.461%0.6152%0.522SS*.Hα-helixtrans-72.1-40.4176.4-66.2174.1000110.9G83 S84 G85 L91G83-I87 WeakPolarHBondContact O-CD1 3.49Å; G83-I87 WeakPolarHBondContact O-CG1 3.46Å; S84-I87 PolarHBondContact O-N 3.22Å; G85-I87 VanDerWaalsContact C-N 3.34Å; G85-I87 PolarHBondContact O-N 3.14Å; I87-L91 VanDerWaalsContact O-CB 3.29Å; I87-L91 WeakPolarHBondContact O-CB 3.47Å; I87-L91 PolarHBondContact O-N 2.88Å
88V67.3Low61.1Low80 Ų8075.7 Ų75.749%0.48548%0.482SS..Hα-helixtrans-66.1-46.3177177.20000110.7S84 G85 E90 L91 V92S84-V88 PolarHBondContact O-N 3.21Å; G85-V88 PolarHBondContact O-N 3.27Å; V88-E90 PolarHBondContact O-N 3.33Å; V88-L91 PolarHBondContact O-N 3.49Å; V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CB 3.44Å; V88-V92 VanDerWaalsContact O-CG2 3.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.13Å
89D69.4Low63.3Low86 Ų8673.9 Ų73.946%0.4647%0.469SS..Hα-helixtrans-59.6-48.3177.4-73.8-18.6000111.8G85 L91 V92 I93G85-D89 PolarHBondContact O-N 3.09Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.35Å; D89-V92 PolarHBondContact O-N 3.2Å; D89-I93 WeakPolarHBondContact O-CB 3.4Å; D89-I93 WeakPolarHBondContact O-CD1 3.43Å; D89-I93 WeakPolarHBondContact O-CG1 3.41Å; D89-I93 PolarHBondContact O-N 3.38Å
90E67.9Low66Low53 Ų5373.1 Ų73.125%0.24845%0.451CS..Hα-helixtrans-60.5-40.7176.4-81.1-76.2144.100112S86 V88 T94S86-E90 WeakPolarHBondContact O-CB 3.24Å; S86-E90 WeakPolarHBondContact O-CG 3.45Å; S86-E90 PolarHBondContact O-N 2.91Å; S86-E90 VanDerWaalsContact O-N 3.1Å; V88-E90 PolarHBondContact O-N 3.33Å; E90-T94 VanDerWaalsContact O-CB 3.25Å; E90-T94 WeakPolarHBondContact O-CB 3.4Å; E90-T94 PolarHBondContact O-N 3.47Å; E90-T94 PolarHBondContact O-OG1 3.46Å
91L71.2Confident67.7Low111 Ų11167.7 Ų67.758%0.58142%0.416SS*.Hα-helixtrans-67.9-41.6177.8-178.564000112.3I87 V88 D89 T94 S95I87-L91 VanDerWaalsContact O-CB 3.29Å; I87-L91 WeakPolarHBondContact O-CB 3.47Å; I87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.49Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-L91 PolarHBondContact O-N 3.35Å; L91-T94 WeakPolarHBondContact O-CB 3.11Å; L91-T94 PolarHBondContact O-N 2.83Å; L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.14Å
92V76.4Confident69.8Low80 Ų8062 Ų6249%0.48539%0.39SS..Hα-helixtrans-64.1-50.4176.7169.40000110.1V88 D89 T94 S95 T96V88-V92 HydrophobicContact CG1-CG2 4.27Å; V88-V92 WeakPolarHBondContact O-CB 3.44Å; V88-V92 VanDerWaalsContact O-CG2 3.3Å; V88-V92 WeakPolarHBondContact O-CG2 3.24Å; V88-V92 PolarHBondContact O-N 3.13Å; D89-V92 PolarHBondContact O-N 3.2Å; V92-T94 PolarHBondContact O-N 2.86Å; V92-S95 PolarHBondContact O-N 3.11Å; V92-T96 WeakPolarHBondContact O-CB 3.37Å; V92-T96 PolarHBondContact O-N 2.93Å; V92-T96 PolarHBondContact O-OG1 2.93Å; V92-T96 VanDerWaalsContact O-OG1 3.05Å
93I71.8Confident72Confident43 Ų4360.7 Ų60.722%0.22138%0.377CS..Hα-helixtrans-56-41.9174.7-66.6164.6000110.4D89 F97 Y351D89-I93 WeakPolarHBondContact O-CB 3.4Å; D89-I93 WeakPolarHBondContact O-CD1 3.43Å; D89-I93 WeakPolarHBondContact O-CG1 3.41Å; D89-I93 PolarHBondContact O-N 3.38Å; I93-F97 WeakPolarHBondContact O-CB 3.47Å; I93-F97 PolarHBondContact O-N 2.92Å; I93-Y351 HydrophobicContact CG2-CD2 3.91Å; I93-Y351 HydrophobicContact CG2-CE2 3.76Å
94T71.4Confident74Confident5 Ų559.2 Ų59.23%0.03136%0.359CS..Hα-helixtrans-61.4-50.9178.3-59.40000112.1E90 L91 V92 G98 Y154 F155E90-T94 VanDerWaalsContact O-CB 3.25Å; E90-T94 WeakPolarHBondContact O-CB 3.4Å; E90-T94 PolarHBondContact O-N 3.47Å; E90-T94 PolarHBondContact O-OG1 3.46Å; L91-T94 WeakPolarHBondContact O-CB 3.11Å; L91-T94 PolarHBondContact O-N 2.83Å; V92-T94 PolarHBondContact O-N 2.86Å; T94-G98 PolarHBondContact O-N 3.49Å; T94-Y154 VanDerWaalsContact CA-CE1 3.45Å; T94-Y154 VanDerWaalsContact CA-OH 3.32Å; T94-Y154 WeakPolarHBondContact CA-OH 3.35Å; T94-Y154 HydrophobicContact CG2-CD1 3.89Å; T94-Y154 HydrophobicContact CG2-CE1 3.68Å; T94-Y154 HydrophobicContact CG2-CE2 4.28Å; T94-Y154 HydrophobicContact CG2-CG 4.33Å; T94-Y154 PolarHBondContact OG1-OH 2.92Å; T94-F155 HydrophobicContact CG2-CD1 3.83Å; T94-F155 HydrophobicContact CG2-CE1 3.74Å; T94-F155 HydrophobicContact CG2-CZ 4.43Å
95S76.9Confident76Confident60 Ų6058.3 Ų58.342%0.4234%0.341SS..Hα-helixtrans-64.5-45.5-179.1-174.30000112.4L91 V92 F97 G98 T99L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.14Å; V92-S95 PolarHBondContact O-N 3.11Å; S95-F97 PolarHBondContact O-N 2.98Å; S95-G98 PolarHBondContact O-N 3.05Å; S95-T99 WeakPolarHBondContact O-CB 3.41Å; S95-T99 PolarHBondContact O-N 3.28Å; S95-T99 PolarHBondContact O-OG1 3.43Å
96T80.7Confident77.6Confident87 Ų8761 Ų6153%0.53434%0.344SS..Hα-helixtrans-62.1-44.6178.6-59.10000111.6V92 T99 L100V92-T96 WeakPolarHBondContact O-CB 3.37Å; V92-T96 PolarHBondContact O-N 2.93Å; V92-T96 PolarHBondContact O-OG1 2.93Å; V92-T96 VanDerWaalsContact O-OG1 3.05Å; T96-T99 PolarHBondContact O-N 2.88Å; T96-L100 WeakPolarHBondContact O-CB 3.48Å; T96-L100 PolarHBondContact O-N 3.2Å
97F77.9Confident79.1Confident12 Ų1261.3 Ų61.35%0.05334%0.343CS..Hα-helixtrans-67.8-43.5178.5179.9-111.9000112.5I93 S95 T99 L100 L101 V150 Y154 Y351I93-F97 WeakPolarHBondContact O-CB 3.47Å; I93-F97 PolarHBondContact O-N 2.92Å; S95-F97 PolarHBondContact O-N 2.98Å; F97-T99 VanDerWaalsContact C-N 3.29Å; F97-T99 PolarHBondContact O-N 3.1Å; F97-L100 PolarHBondContact O-N 3.29Å; F97-L101 HydrophobicContact CD1-CD1 4.11Å; F97-L101 HydrophobicContact CD2-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 3.44Å; F97-L101 VanDerWaalsContact CE1-CD1 3.44Å; F97-L101 HydrophobicContact CE1-CG 4.16Å; F97-L101 HydrophobicContact CE2-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD2 4.24Å; F97-L101 HydrophobicContact CE2-CG 3.88Å; F97-L101 HydrophobicContact CZ-CD1 3.36Å; F97-L101 HydrophobicContact CZ-CD2 4.31Å; F97-L101 HydrophobicContact CZ-CG 3.83Å; F97-L101 WeakPolarHBondContact O-CB 3.47Å; F97-L101 PolarHBondContact O-N 2.87Å; F97-V150 HydrophobicContact CE1-CG1 4Å; F97-V150 HydrophobicContact CZ-CG1 4.44Å; F97-Y154 HydrophobicContact CB-CE1 4.14Å; F97-Y154 AromaticContact CD1-CD1 3.71Å; F97-Y154 HydrophobicContact CD1-CD1 3.71Å; F97-Y154 AromaticContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CE1-CD1 4.33Å; F97-Y154 HydrophobicContact CE1-CE1 4.47Å; F97-Y154 HydrophobicContact CG-CE1 4.3Å; F97-Y351 AromaticContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CE1 4.21Å; F97-Y351 HydrophobicContact CD1-CG 4.36Å; F97-Y351 HydrophobicContact CD2-CD1 4.07Å; F97-Y351 AromaticContact CD2-CG 3.9Å; F97-Y351 HydrophobicContact CD2-CG 3.9Å; F97-Y351 AromaticContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CE1 4.02Å; F97-Y351 HydrophobicContact CE1-CG 4.45Å; F97-Y351 AromaticContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CG 4.01Å; F97-Y351 HydrophobicContact CG-CD1 4.12Å; F97-Y351 HydrophobicContact CG-CG 4.06Å; F97-Y351 AromaticContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CE1 4.35Å; F97-Y351 HydrophobicContact CZ-CG 4.26Å
98G77.7Confident80.5Confident3 Ų355.7 Ų55.73%0.03131%0.314CS..Hα-helixtrans-59.3-40.117500000112.7T94 S95 S102T94-G98 PolarHBondContact O-N 3.49Å; S95-G98 PolarHBondContact O-N 3.05Å; G98-S102 WeakPolarHBondContact O-CB 3.43Å; G98-S102 PolarHBondContact O-N 3.33Å; G98-S102 PolarHBondContact O-OG 3.42Å
99T83.9Confident81.6Confident83 Ų8353.5 Ų53.551%0.50930%0.301SS..Hα-helixtrans-65-49175.2-55.90000111.5S95 T96 F97 L101 S102 V103S95-T99 WeakPolarHBondContact O-CB 3.41Å; S95-T99 PolarHBondContact O-N 3.28Å; S95-T99 PolarHBondContact O-OG1 3.43Å; T96-T99 PolarHBondContact O-N 2.88Å; F97-T99 VanDerWaalsContact C-N 3.29Å; F97-T99 PolarHBondContact O-N 3.1Å; T99-L101 PolarHBondContact O-N 3.41Å; T99-S102 WeakPolarHBondContact O-CB 3.34Å; T99-S102 PolarHBondContact O-N 2.92Å; T99-V103 PolarHBondContact O-N 3.27Å
100L86.7Confident82.7Confident78 Ų7853.7 Ų53.741%0.40831%0.306SS..Hα-helixtrans-61-47.5-178.9-179.561.1000111.9T96 F97 S102 V103 V104 C355T96-L100 WeakPolarHBondContact O-CB 3.48Å; T96-L100 PolarHBondContact O-N 3.2Å; F97-L100 PolarHBondContact O-N 3.29Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.97Å; L100-V103 PolarHBondContact O-N 3.11Å; L100-V104 WeakPolarHBondContact O-CG2 3.3Å; L100-V104 PolarHBondContact O-N 3.37Å; L100-C355 HydrophobicContact CD2-CB 4.17Å; L100-C355 WeakPolarHBondContact CD2-SG 3.34Å; L100-C355 VanDerWaalsContact CG-SG 3.54Å
101L83.4Confident83.8Confident0 Ų051.9 Ų51.90%030%0.301CS..Hα-helixtrans-61.4-39.5174.8-79.8-169.3000112.3F97 T99 V103 V104 Y105 I147 V150 V151 Y358F97-L101 HydrophobicContact CD1-CD1 4.11Å; F97-L101 HydrophobicContact CD2-CG 4.3Å; F97-L101 HydrophobicContact CE1-CD1 3.44Å; F97-L101 VanDerWaalsContact CE1-CD1 3.44Å; F97-L101 HydrophobicContact CE1-CG 4.16Å; F97-L101 HydrophobicContact CE2-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD2 4.24Å; F97-L101 HydrophobicContact CE2-CG 3.88Å; F97-L101 HydrophobicContact CZ-CD1 3.36Å; F97-L101 HydrophobicContact CZ-CD2 4.31Å; F97-L101 HydrophobicContact CZ-CG 3.83Å; F97-L101 WeakPolarHBondContact O-CB 3.47Å; F97-L101 PolarHBondContact O-N 2.87Å; T99-L101 PolarHBondContact O-N 3.41Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 2.83Å; L101-V104 PolarHBondContact O-N 3.46Å; L101-Y105 WeakPolarHBondContact O-CB 3.3Å; L101-Y105 PolarHBondContact O-N 2.85Å; L101-I147 HydrophobicContact CB-CG2 3.77Å; L101-I147 HydrophobicContact CD1-CG2 4.41Å; L101-I147 HydrophobicContact CD2-CG2 4.43Å; L101-I147 HydrophobicContact CG-CG2 4.44Å; L101-I147 WeakPolarHBondContact O-CG2 3.38Å; L101-V150 HydrophobicContact CD1-CB 3.78Å; L101-V150 HydrophobicContact CD1-CG1 3.72Å; L101-V150 HydrophobicContact CD1-CG2 3.81Å; L101-V151 HydrophobicContact CB-CG2 3.96Å; L101-V151 HydrophobicContact CD1-CG2 3.99Å; L101-Y358 HydrophobicContact CD2-CD2 3.74Å; L101-Y358 HydrophobicContact CD2-CE2 4.22Å
102S85.9Confident84.8Confident51 Ų5146.7 Ų46.736%0.35727%0.274SS..Hα-helixtrans-62.3-39.2176.9-600000112.2G98 T99 L100 Y105 I106G98-S102 WeakPolarHBondContact O-CB 3.43Å; G98-S102 PolarHBondContact O-N 3.33Å; G98-S102 PolarHBondContact O-OG 3.42Å; T99-S102 WeakPolarHBondContact O-CB 3.34Å; T99-S102 PolarHBondContact O-N 2.92Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.97Å; S102-Y105 PolarHBondContact O-N 3.23Å; S102-I106 VanDerWaalsContact O-CG1 3.29Å; S102-I106 WeakPolarHBondContact O-CG1 3.37Å; S102-I106 PolarHBondContact O-N 3.44Å
103V89.1Confident85.5Confident81 Ų8146.1 Ų46.149%0.49127%0.27SS..Hα-helixtrans-64.6-46.4173.5173.40000111T99 L100 L101 Y105 I106 V107T99-V103 PolarHBondContact O-N 3.27Å; L100-V103 PolarHBondContact O-N 3.11Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 2.83Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 3.1Å; V103-I106 PolarHBondContact O-N 3.21Å; V103-V107 HydrophobicContact CG1-CG2 4.31Å; V103-V107 WeakPolarHBondContact O-CB 3.06Å; V103-V107 WeakPolarHBondContact O-CG2 3.13Å; V103-V107 PolarHBondContact O-N 2.87Å
104V89.1Confident86.4Confident14 Ų1450.4 Ų50.49%0.08529%0.285CS..Hα-helixtrans-59.1-44177.2172.10000111L100 L101 G108 I147 C362L100-V104 WeakPolarHBondContact O-CG2 3.3Å; L100-V104 PolarHBondContact O-N 3.37Å; L101-V104 PolarHBondContact O-N 3.46Å; V104-G108 PolarHBondContact O-N 3.47Å; V104-I147 HydrophobicContact CG1-CD1 3.95Å; V104-C362 PolarHBondContact O-SG 3.19Å
105Y88.8Confident87.1Confident77 Ų7750.3 Ų50.330%0.30228%0.284SS..Hα-helixtrans-57.6-53.1174174.5-105.9000112.5L101 S102 V103 V107 G108 V109 L144 I147 P148L101-Y105 WeakPolarHBondContact O-CB 3.3Å; L101-Y105 PolarHBondContact O-N 2.85Å; S102-Y105 PolarHBondContact O-N 3.23Å; V103-Y105 VanDerWaalsContact C-N 3.33Å; V103-Y105 PolarHBondContact O-N 3.1Å; Y105-V107 PolarHBondContact O-N 2.94Å; Y105-G108 PolarHBondContact O-N 3.29Å; Y105-V109 HydrophobicContact CD2-CG2 3.77Å; Y105-V109 HydrophobicContact CE2-CG2 3.52Å; Y105-V109 HydrophobicContact CG-CG2 4.43Å; Y105-V109 WeakPolarHBondContact O-CB 3.44Å; Y105-V109 WeakPolarHBondContact O-CG2 3.38Å; Y105-V109 PolarHBondContact O-N 3.08Å; Y105-L144 VanDerWaalsContact CD2-O 3.29Å; Y105-L144 WeakPolarHBondContact CD2-O 3.42Å; Y105-I147 HydrophobicContact CD2-CB 4.06Å; Y105-I147 HydrophobicContact CG-CB 4.42Å; Y105-P148 HydrophobicContact CD1-CG 4.22Å; Y105-P148 HydrophobicContact CD2-CG 3.86Å; Y105-P148 HydrophobicContact CE1-CG 3.99Å; Y105-P148 HydrophobicContact CE2-CG 3.58Å; Y105-P148 HydrophobicContact CG-CG 4.16Å
106I90.9Very high87.7Confident103 Ų10349 Ų4953%0.52827%0.272SS..Hα-helixtrans-60.8-48-177.6-68.1164.9000110.9S102 V103 T110S102-I106 VanDerWaalsContact O-CG1 3.29Å; S102-I106 WeakPolarHBondContact O-CG1 3.37Å; S102-I106 PolarHBondContact O-N 3.44Å; V103-I106 PolarHBondContact O-N 3.21Å; I106-T110 WeakPolarHBondContact O-CB 3.4Å; I106-T110 PolarHBondContact O-N 2.91Å; I106-T110 VanDerWaalsContact O-N 3.07Å; I106-T110 PolarHBondContact O-OG1 3.25Å
107V92.1Very high88Confident62 Ų6249 Ų4938%0.37627%0.272SS..Hα-helixtrans-63.7-47.8179.5173.30000110.8V103 Y105 G111 C362 F366V103-V107 HydrophobicContact CG1-CG2 4.31Å; V103-V107 WeakPolarHBondContact O-CB 3.06Å; V103-V107 WeakPolarHBondContact O-CG2 3.13Å; V103-V107 PolarHBondContact O-N 2.87Å; Y105-V107 PolarHBondContact O-N 2.94Å; V107-G111 PolarHBondContact O-N 3.32Å; V107-C362 HydrophobicContact CG1-CB 4.23Å; V107-F366 HydrophobicContact CG1-CE2 4.14Å; V107-F366 HydrophobicContact CG1-CZ 4.33Å
108G91.3Very high88.2Confident0 Ų049.6 Ų49.60%028%0.276CS..Hα-helixtrans-65-46.8-177.500000113.1V104 Y105 G111 N112 L144 C362V104-G108 PolarHBondContact O-N 3.47Å; Y105-G108 PolarHBondContact O-N 3.29Å; G108-G111 PolarHBondContact O-N 2.88Å; G108-N112 WeakPolarHBondContact O-CB 3.13Å; G108-N112 PolarHBondContact O-N 3.21Å; G108-N112 PolarHBondContact O-ND2 3.33Å; G108-L144 VanDerWaalsContact CA-CD1 3.48Å; G108-C362 WeakPolarHBondContact CA-SG 3.35Å
109V91.6Very high88.4Confident35 Ų3549.6 Ų49.621%0.21228%0.276CS..Hα-helixtrans-65.2-48.3179.2171.30000110.1Y105 G111 N112 V113 L141 L144Y105-V109 HydrophobicContact CD2-CG2 3.77Å; Y105-V109 HydrophobicContact CE2-CG2 3.52Å; Y105-V109 HydrophobicContact CG-CG2 4.43Å; Y105-V109 WeakPolarHBondContact O-CB 3.44Å; Y105-V109 WeakPolarHBondContact O-CG2 3.38Å; Y105-V109 PolarHBondContact O-N 3.08Å; V109-G111 VanDerWaalsContact C-N 3.33Å; V109-G111 PolarHBondContact O-N 3.47Å; V109-N112 PolarHBondContact O-N 3.38Å; V109-V113 HydrophobicContact CG1-CG2 4.13Å; V109-V113 WeakPolarHBondContact O-CB 3.18Å; V109-V113 VanDerWaalsContact O-CG2 3.28Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 3.44Å; V109-L141 HydrophobicContact CB-CD2 4.26Å; V109-L141 HydrophobicContact CG1-CD2 4.09Å; V109-L141 HydrophobicContact CG2-CD2 4.2Å; V109-L144 HydrophobicContact CG2-CB 4.18Å
110T92.1Very high88.2Confident90 Ų9048.9 Ų48.955%0.55227%0.273SS*.Hα-helixtrans-58.4-45.6178.8-55.20000111.2I106 Y114I106-T110 WeakPolarHBondContact O-CB 3.4Å; I106-T110 PolarHBondContact O-N 2.91Å; I106-T110 VanDerWaalsContact O-N 3.07Å; I106-T110 PolarHBondContact O-OG1 3.25Å; T110-Y114 VanDerWaalsContact O-CB 3.23Å; T110-Y114 WeakPolarHBondContact O-CB 3.18Å; T110-Y114 PolarHBondContact O-N 3.17Å
111G91.1Very high87.6Confident14 Ų1453 Ų5314%0.14429%0.29CS..Hα-helixtrans-65.8-43179.100000113.7V107 G108 V109 T115 P365V107-G111 PolarHBondContact O-N 3.32Å; G108-G111 PolarHBondContact O-N 2.88Å; V109-G111 VanDerWaalsContact C-N 3.33Å; V109-G111 PolarHBondContact O-N 3.47Å; G111-T115 WeakPolarHBondContact O-CB 3.29Å; G111-T115 PolarHBondContact O-N 2.93Å; G111-T115 PolarHBondContact O-OG1 3.38Å; G111-P365 WeakPolarHBondContact O-CB 3.25Å; G111-P365 WeakPolarHBondContact O-CG 3.29Å
112N92Very high86.7Confident2 Ų256.8 Ų56.81%0.01132%0.317CS..Hα-helixtrans-75.4-37-178.6-75.5-67.8000112.3G108 V109 T115 L116 A137 L141 S361 P365G108-N112 WeakPolarHBondContact O-CB 3.13Å; G108-N112 PolarHBondContact O-N 3.21Å; G108-N112 PolarHBondContact O-ND2 3.33Å; V109-N112 PolarHBondContact O-N 3.38Å; N112-T115 WeakPolarHBondContact O-CB 3.39Å; N112-T115 PolarHBondContact O-N 2.85Å; N112-L116 PolarHBondContact O-N 2.87Å; N112-A137 HydrophobicContact CB-CB 4.43Å; N112-L141 HydrophobicContact CB-CD1 4.31Å; N112-L141 HydrophobicContact CB-CD2 3.86Å; N112-L141 HydrophobicContact CB-CG 3.74Å; N112-S361 PolarHBondContact ND2-O 3.44Å; N112-P365 HydrophobicContact CB-CG 4.4Å; N112-P365 WeakPolarHBondContact OD1-CG 3.32Å
113V92.2Very high85.7Confident68 Ų6855 Ų5541%0.41230%0.303SS..Hα-helixtrans-60.9-47.2169.3171.60000110.7V109 T115 L116 V117 L141V109-V113 HydrophobicContact CG1-CG2 4.13Å; V109-V113 WeakPolarHBondContact O-CB 3.18Å; V109-V113 VanDerWaalsContact O-CG2 3.28Å; V109-V113 WeakPolarHBondContact O-CG2 3.35Å; V109-V113 PolarHBondContact O-N 3.44Å; V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 2.91Å; V113-L116 PolarHBondContact O-N 3.47Å; V113-V117 HydrophobicContact CG1-CG2 4.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.3Å; V113-V117 PolarHBondContact O-N 2.86Å; V113-L141 HydrophobicContact CG2-CD1 4.15Å; V113-L141 HydrophobicContact CG2-CD2 4.02Å
114Y89.3Confident84.2Confident133 Ų13358 Ų5852%0.52231%0.306SS..Hα-helixtrans-56.3-43.6174.5177.6-89.2000111.8T110 V117 V118 T369T110-Y114 VanDerWaalsContact O-CB 3.23Å; T110-Y114 WeakPolarHBondContact O-CB 3.18Å; T110-Y114 PolarHBondContact O-N 3.17Å; Y114-V117 PolarHBondContact O-N 2.99Å; Y114-V118 HydrophobicContact CD1-CG2 4.08Å; Y114-V118 HydrophobicContact CD2-CG2 4.46Å; Y114-V118 HydrophobicContact CE1-CG2 3.57Å; Y114-V118 HydrophobicContact CE2-CG2 4.03Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CB 3.36Å; Y114-V118 WeakPolarHBondContact O-CG2 3.44Å; Y114-V118 PolarHBondContact O-N 3.44Å; Y114-T369 HydrophobicContact CD1-CG2 3.92Å; Y114-T369 HydrophobicContact CE1-CG2 3.5Å
115T87.1Confident82.2Confident4 Ų466.7 Ų66.73%0.02534%0.343CS..Hα-helixtrans-61.7-44.8178-59.80000111.5G111 N112 V113 M119 I133G111-T115 WeakPolarHBondContact O-CB 3.29Å; G111-T115 PolarHBondContact O-N 2.93Å; G111-T115 PolarHBondContact O-OG1 3.38Å; N112-T115 WeakPolarHBondContact O-CB 3.39Å; N112-T115 PolarHBondContact O-N 2.85Å; V113-T115 VanDerWaalsContact C-N 3.28Å; V113-T115 PolarHBondContact O-N 2.91Å; T115-M119 HydrophobicContact CG2-CG 4.39Å; T115-M119 WeakPolarHBondContact O-CB 3.41Å; T115-M119 WeakPolarHBondContact O-CG 3.5Å; T115-M119 PolarHBondContact O-N 2.85Å; T115-I133 HydrophobicContact CG2-CG2 3.64Å
116L88.4Confident80.4Confident31 Ų3165.1 Ų65.116%0.16235%0.345CS..Hα-helixtrans-60.3-48.9174.4-74.5176.8000112.1N112 V113 V118 M119 C120 I134 A137 L138 L141N112-L116 PolarHBondContact O-N 2.87Å; V113-L116 PolarHBondContact O-N 3.47Å; L116-V118 PolarHBondContact O-N 3.22Å; L116-M119 PolarHBondContact O-N 3.43Å; L116-C120 VanDerWaalsContact O-CB 3.3Å; L116-C120 WeakPolarHBondContact O-CB 3.33Å; L116-C120 PolarHBondContact O-N 2.95Å; L116-C120 PolarHBondContact O-SG 2.93Å; L116-C120 VanDerWaalsContact O-SG 3.37Å; L116-I134 HydrophobicContact CD2-CB 4.23Å; L116-I134 HydrophobicContact CD2-CG1 4.17Å; L116-I134 HydrophobicContact CD2-CG2 3.91Å; L116-A137 HydrophobicContact CD2-CB 3.83Å; L116-A137 HydrophobicContact CG-CB 3.84Å; L116-L138 HydrophobicContact CD1-CD2 4.12Å; L116-L138 HydrophobicContact CD2-CG 4.43Å; L116-L141 HydrophobicContact CD1-CD1 3.54Å
117V87.1Confident79.1Confident89 Ų8961.1 Ų61.154%0.53933%0.326SS..Hα-helixtrans-58.2-48.7179.7171.70000111.1V113 Y114 M119 C120 H121V113-V117 HydrophobicContact CG1-CG2 4.43Å; V113-V117 WeakPolarHBondContact O-CG2 3.3Å; V113-V117 PolarHBondContact O-N 2.86Å; Y114-V117 PolarHBondContact O-N 2.99Å; V117-M119 PolarHBondContact O-N 3.32Å; V117-C120 PolarHBondContact O-N 2.92Å; V117-H121 VanDerWaalsContact O-CB 3.3Å; V117-H121 WeakPolarHBondContact O-CB 3.33Å; V117-H121 PolarHBondContact O-N 3.45Å
118V82.4Confident77.9Confident23 Ų2361 Ų6114%0.13933%0.327CS..Hα-helixtrans-64-41.7179.5170.60000112.1Y114 L116 S122 I123 T372Y114-V118 HydrophobicContact CD1-CG2 4.08Å; Y114-V118 HydrophobicContact CD2-CG2 4.46Å; Y114-V118 HydrophobicContact CE1-CG2 3.57Å; Y114-V118 HydrophobicContact CE2-CG2 4.03Å; Y114-V118 HydrophobicContact CG-CG2 4.49Å; Y114-V118 WeakPolarHBondContact O-CB 3.36Å; Y114-V118 WeakPolarHBondContact O-CG2 3.44Å; Y114-V118 PolarHBondContact O-N 3.44Å; L116-V118 PolarHBondContact O-N 3.22Å; V118-S122 WeakPolarHBondContact O-CB 3.41Å; V118-S122 PolarHBondContact O-N 3.13Å; V118-I123 HydrophobicContact CG1-CD1 3.82Å; V118-T372 HydrophobicContact CG1-CG2 4.23Å
119M81.2Confident77.1Confident4 Ų461 Ų612%0.0233%0.328CS..Iπ-helixtrans-68.2-43179.5-69.4-61.3145.900112.2T115 L116 V117 I123 R124 I133 I134 T372T115-M119 HydrophobicContact CG2-CG 4.39Å; T115-M119 WeakPolarHBondContact O-CB 3.41Å; T115-M119 WeakPolarHBondContact O-CG 3.5Å; T115-M119 PolarHBondContact O-N 2.85Å; L116-M119 PolarHBondContact O-N 3.43Å; V117-M119 PolarHBondContact O-N 3.32Å; M119-I123 HydrophobicContact CE-CD1 3.72Å; M119-I123 HydrophobicContact SD-CB 4.07Å; M119-I123 HydrophobicContact SD-CD1 3.98Å; M119-I123 HydrophobicContact SD-CG2 4.01Å; M119-R124 PolarHBondContact O-N 3.4Å; M119-R124 VanDerWaalsContact O-N 3.1Å; M119-I133 HydrophobicContact CE-CD1 3.9Å; M119-I133 HydrophobicContact CE-CG2 4.36Å; M119-I133 HydrophobicContact CG-CB 4.37Å; M119-I133 HydrophobicContact CG-CG2 3.85Å; M119-I133 HydrophobicContact SD-CD1 3.8Å; M119-I133 HydrophobicContact SD-CG2 4.3Å; M119-I134 HydrophobicContact CB-CG1 4.25Å; M119-T372 VanDerWaalsContact CE-OG1 3.3Å; M119-T372 WeakPolarHBondContact CE-OG1 3.2Å
120C80.4Confident76.5Confident67 Ų6761.4 Ų61.445%0.45333%0.325SS..Iπ-helixtrans-65.1-44.3178-750000112.4L116 V117L116-C120 VanDerWaalsContact O-CB 3.3Å; L116-C120 WeakPolarHBondContact O-CB 3.33Å; L116-C120 PolarHBondContact O-N 2.95Å; L116-C120 PolarHBondContact O-SG 2.93Å; L116-C120 VanDerWaalsContact O-SG 3.37Å; V117-C120 PolarHBondContact O-N 2.92Å
121H75Confident76.2Confident164 Ų16457.9 Ų57.976%0.75930%0.303SS*.Iπ-helixtrans-86.1-43.7-173.5-165.9-92.2000113.7V117V117-H121 VanDerWaalsContact O-CB 3.3Å; V117-H121 WeakPolarHBondContact O-CB 3.33Å; V117-H121 PolarHBondContact O-N 3.45Å
122S64.3Low75.9Confident80 Ų8057.7 Ų57.756%0.55930%0.299SS*.Iπ-helixtrans-107.1-19.2-163.7-59.50000115.2V118V118-S122 WeakPolarHBondContact O-CB 3.41Å; V118-S122 PolarHBondContact O-N 3.13Å
123I63.5Low75.7Confident13 Ų1357.7 Ų57.77%0.06730%0.299CS..Iπ-helixtrans-131.2-12.6-161.5-58.8174000113.7V118 M119 F125 A126 T127 T372V118-I123 HydrophobicContact CG1-CD1 3.82Å; M119-I123 HydrophobicContact CE-CD1 3.72Å; M119-I123 HydrophobicContact SD-CB 4.07Å; M119-I123 HydrophobicContact SD-CD1 3.98Å; M119-I123 HydrophobicContact SD-CG2 4.01Å; I123-F125 PolarHBondContact O-N 2.88Å; I123-A126 PolarHBondContact O-N 3.35Å; I123-T127 WeakPolarHBondContact CG2-OG1 3.31Å; I123-T127 PolarHBondContact O-N 3.23Å; I123-T372 HydrophobicContact CD1-CG2 3.42Å; I123-T372 VanDerWaalsContact CD1-CG2 3.42Å
124R57.8Low75.5Confident146 Ų14656.2 Ų56.255%0.55129%0.289SS*.THydrogen-bonded Turntrans-42.7-33.2178.1-178.1177.6174.6124.4-5.5115.4M119M119-R124 PolarHBondContact O-N 3.4Å; M119-R124 VanDerWaalsContact O-N 3.1Å
125F48.3Very low75.5Confident196 Ų19651 Ų5186%0.8627%0.27SS*.THydrogen-bonded Turntrans-96.1-14.3-177.6-60.7-78.6000114.8I123I123-F125 PolarHBondContact O-N 2.88Å
126A50.6Low75.6Confident43 Ų4351 Ų5136%0.35527%0.27SS..THydrogen-bonded Turntrans-111-25.4-167.100000114.8I123 Y375 L379I123-A126 PolarHBondContact O-N 3.35Å; A126-Y375 HydrophobicContact CB-CE1 3.85Å; A126-Y375 PolarHBondContact O-OH 2.93Å; A126-L379 HydrophobicContact CB-CD1 4.3Å
127T64.4Low75.7Confident20 Ų2049.5 Ų49.512%0.12326%0.262CS..  trans-112.6118.3-172.2-63.70000112.9I123 M129 Y130I123-T127 WeakPolarHBondContact CG2-OG1 3.31Å; I123-T127 PolarHBondContact O-N 3.23Å; T127-M129 HydrophobicContact CG2-CB 4.06Å; T127-M129 PolarHBondContact O-N 3.44Å; T127-Y130 WeakPolarHBondContact O-CD1 3.43Å; T127-Y130 PolarHBondContact O-N 3.29Å
128S66.1Low75.9Confident58 Ų5848.9 Ų48.941%0.40626%0.255SS..THydrogen-bonded Turntrans-48.9-35.4176.8-173.90000114.2R209S128-R209 WeakPolarHBondContact O-CD 3.28Å; S128-R209 PolarHBondContact O-NE 2.77Å; S128-R209 PolarHBondContact O-NH1 2.93Å; S128-R209 PolarHBondContact OG-NH1 3.25Å; S128-R209 PolarHBondContact OG-NH2 3.26Å; S128-R209 VanDerWaalsContact OG-NH2 3.15Å
129M74.1Confident76.4Confident2 Ų247.8 Ų47.81%0.0125%0.249CC..THydrogen-bonded Turntrans-92.66.9-171-158.7-145.3128.200114.6T127 I131 S132 I133 M187 R191 Y368T127-M129 HydrophobicContact CG2-CB 4.06Å; T127-M129 PolarHBondContact O-N 3.44Å; M129-I131 PolarHBondContact O-N 2.94Å; M129-S132 PolarHBondContact O-N 3.18Å; M129-S132 VanDerWaalsContact O-N 3.13Å; M129-I133 HydrophobicContact CE-CD1 4.2Å; M129-I133 HydrophobicContact CE-CG1 3.37Å; M129-I133 PolarHBondContact O-N 3.34Å; M129-I133 HydrophobicContact SD-CD1 4.45Å; M129-I133 HydrophobicContact SD-CG1 4.2Å; M129-M187 HydrophobicContact CE-CB 3.82Å; M129-M187 HydrophobicContact CE-CE 3.67Å; M129-M187 HydrophobicContact CE-CG 3.38Å; M129-M187 HydrophobicContact CE-SD 3.3Å; M129-M187 WeakPolarHBondContact CE-SD 3.3Å; M129-M187 HydrophobicContact SD-CE 3.63Å; M129-M187 HydrophobicContact SD-CG 3.7Å; M129-M187 HydrophobicContact SD-SD 4Å; M129-R191 VanDerWaalsContact CB-NH2 3.27Å; M129-R191 PolarHBondContact SD-NE 2.88Å; M129-R191 VanDerWaalsContact SD-NE 3.36Å; M129-R191 PolarHBondContact SD-NH2 3.32Å; M129-Y368 HydrophobicContact CE-CE1 4.23Å
130Y80Confident76.8Confident42 Ų4247.6 Ų47.617%0.16525%0.248CC..Hα-helixtrans-59-33.6-171.182.9-88.4000113.5T127 S132 I133 I134T127-Y130 WeakPolarHBondContact O-CD1 3.43Å; T127-Y130 PolarHBondContact O-N 3.29Å; Y130-S132 PolarHBondContact O-N 2.99Å; Y130-I133 PolarHBondContact O-N 3.29Å; Y130-I134 HydrophobicContact CD2-CD1 3.85Å; Y130-I134 HydrophobicContact CE2-CD1 4.33Å; Y130-I134 WeakPolarHBondContact O-CG1 3.43Å; Y130-I134 PolarHBondContact O-N 3.29Å
131I84.9Confident77.3Confident16 Ų1646 Ų468%0.08224%0.235CC..Hα-helixtrans-61.9-44.8178.7-64172.6000110.3M129 I134 N135 R209 A213M129-I131 PolarHBondContact O-N 2.94Å; I131-I134 PolarHBondContact O-N 2.89Å; I131-N135 WeakPolarHBondContact CG2-ND2 3.46Å; I131-N135 PolarHBondContact O-N 3.42Å; I131-N135 PolarHBondContact O-ND2 3.45Å; I131-R209 HydrophobicContact CD1-CB 3.8Å; I131-A213 HydrophobicContact CG2-CB 4.42Å
132S85.6Confident78Confident10 Ų1041.7 Ų41.77%0.0722%0.217CC..Hα-helixtrans-68.1-35.3-178.7-37.20000111.2M129 Y130 L136 T183 E190M129-S132 PolarHBondContact O-N 3.18Å; M129-S132 VanDerWaalsContact O-N 3.13Å; Y130-S132 PolarHBondContact O-N 2.99Å; S132-L136 WeakPolarHBondContact O-CB 3.44Å; S132-L136 PolarHBondContact O-N 3.06Å; S132-T183 WeakPolarHBondContact O-CG2 3.4Å; S132-E190 PolarHBondContact OG-OE2 2.77Å
133I86.4Confident79.1Confident2 Ų238 Ų381%0.0119%0.191CC..Hα-helixtrans-66.3-43.9173.1-53.9-179.5000111.1T115 M119 M129 Y130 L136 A137 Y368 L371T115-I133 HydrophobicContact CG2-CG2 3.64Å; M119-I133 HydrophobicContact CE-CD1 3.9Å; M119-I133 HydrophobicContact CE-CG2 4.36Å; M119-I133 HydrophobicContact CG-CB 4.37Å; M119-I133 HydrophobicContact CG-CG2 3.85Å; M119-I133 HydrophobicContact SD-CD1 3.8Å; M119-I133 HydrophobicContact SD-CG2 4.3Å; M129-I133 HydrophobicContact CE-CD1 4.2Å; M129-I133 HydrophobicContact CE-CG1 3.37Å; M129-I133 PolarHBondContact O-N 3.34Å; M129-I133 HydrophobicContact SD-CD1 4.45Å; M129-I133 HydrophobicContact SD-CG1 4.2Å; Y130-I133 PolarHBondContact O-N 3.29Å; I133-L136 PolarHBondContact O-N 3.21Å; I133-A137 WeakPolarHBondContact O-CB 3.43Å; I133-A137 PolarHBondContact O-N 3.41Å; I133-Y368 HydrophobicContact CD1-CD1 3.95Å; I133-Y368 HydrophobicContact CD1-CE1 4.41Å; I133-Y368 HydrophobicContact CG1-CD1 4.1Å; I133-Y368 HydrophobicContact CG1-CE1 4.14Å; I133-Y368 HydrophobicContact CG2-CD1 4.26Å; I133-Y368 HydrophobicContact CG2-CD2 4.34Å; I133-Y368 HydrophobicContact CG2-CG 4.13Å; I133-L371 HydrophobicContact CD1-CD2 4.35Å
134I88.4Confident80.2Confident37 Ų3737.4 Ų37.419%0.1919%0.188CC..Hα-helixtrans-64.8-44.1178.7-69.9173.8000111.2L116 M119 Y130 I131 L136 A137 L138L116-I134 HydrophobicContact CD2-CB 4.23Å; L116-I134 HydrophobicContact CD2-CG1 4.17Å; L116-I134 HydrophobicContact CD2-CG2 3.91Å; M119-I134 HydrophobicContact CB-CG1 4.25Å; Y130-I134 HydrophobicContact CD2-CD1 3.85Å; Y130-I134 HydrophobicContact CE2-CD1 4.33Å; Y130-I134 WeakPolarHBondContact O-CG1 3.43Å; Y130-I134 PolarHBondContact O-N 3.29Å; I131-I134 PolarHBondContact O-N 2.89Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3Å; I134-A137 PolarHBondContact O-N 3.48Å; I134-L138 HydrophobicContact CG2-CD1 3.88Å; I134-L138 HydrophobicContact CG2-CG 4.39Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 VanDerWaalsContact O-CG 3.28Å; I134-L138 WeakPolarHBondContact O-CG 3.31Å; I134-L138 PolarHBondContact O-N 3.47Å
135N90Very high81.6Confident25 Ų2532 Ų3213%0.13417%0.172CC..Hα-helixtrans-61.8-42.1177.2-81.3-86000111.8I131 L138 A139 T183 W217I131-N135 WeakPolarHBondContact CG2-ND2 3.46Å; I131-N135 PolarHBondContact O-N 3.42Å; I131-N135 PolarHBondContact O-ND2 3.45Å; N135-L138 PolarHBondContact O-N 3.49Å; N135-A139 WeakPolarHBondContact O-CB 3.5Å; N135-A139 PolarHBondContact O-N 3.27Å; N135-T183 HydrophobicContact CB-CG2 4.29Å; N135-W217 PolarHBondContact OD1-NE1 2.92Å
136L89Confident83Confident2 Ų222.7 Ų22.71%0.0113%0.132CC..Hα-helixtrans-64.6-46.5177.1-176.462.5000111.7S132 I133 I134 L138 A139 D140 S180 T183 Y368S132-L136 WeakPolarHBondContact O-CB 3.44Å; S132-L136 PolarHBondContact O-N 3.06Å; I133-L136 PolarHBondContact O-N 3.21Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3Å; L136-L138 VanDerWaalsContact C-N 3.28Å; L136-L138 PolarHBondContact O-N 2.85Å; L136-A139 PolarHBondContact O-N 2.87Å; L136-D140 WeakPolarHBondContact O-CB 3.41Å; L136-D140 PolarHBondContact O-N 3.32Å; L136-S180 WeakPolarHBondContact CD1-OG 3.38Å; L136-T183 HydrophobicContact CB-CG2 3.85Å; L136-Y368 HydrophobicContact CD2-CE2 3.61Å; L136-Y368 WeakPolarHBondContact CD2-OH 3.19Å
137A91.4Very high84.2Confident1 Ų120.7 Ų20.71%0.00812%0.115CC..Hα-helixtrans-64.8-31178.200000112.7N112 L116 I133 I134 L141N112-A137 HydrophobicContact CB-CB 4.43Å; L116-A137 HydrophobicContact CD2-CB 3.83Å; L116-A137 HydrophobicContact CG-CB 3.84Å; I133-A137 WeakPolarHBondContact O-CB 3.43Å; I133-A137 PolarHBondContact O-N 3.41Å; I134-A137 PolarHBondContact O-N 3.48Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CG 3.33Å; A137-L141 PolarHBondContact O-N 3.1Å
138L91Very high84.6Confident75 Ų7521.6 Ų21.639%0.39312%0.121SC..Hα-helixtrans-70.9-43.8171.6-72.1170.8000112.1L116 I134 N135 L136 L141 L142L116-L138 HydrophobicContact CD1-CD2 4.12Å; L116-L138 HydrophobicContact CD2-CG 4.43Å; I134-L138 HydrophobicContact CG2-CD1 3.88Å; I134-L138 HydrophobicContact CG2-CG 4.39Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 VanDerWaalsContact O-CG 3.28Å; I134-L138 WeakPolarHBondContact O-CG 3.31Å; I134-L138 PolarHBondContact O-N 3.47Å; N135-L138 PolarHBondContact O-N 3.49Å; L136-L138 VanDerWaalsContact C-N 3.28Å; L136-L138 PolarHBondContact O-N 2.85Å; L138-L141 PolarHBondContact O-N 3.31Å; L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 2.9Å
139A91.3Very high84.8Confident0 Ų019.6 Ų19.60%011%0.105CC..Hα-helixtrans-61.8-45.9174.900000111.3N135 L136 L142 Y143 T176 A179 S180 W217N135-A139 WeakPolarHBondContact O-CB 3.5Å; N135-A139 PolarHBondContact O-N 3.27Å; L136-A139 PolarHBondContact O-N 2.87Å; A139-L142 PolarHBondContact O-N 3.11Å; A139-Y143 WeakPolarHBondContact O-CB 3.19Å; A139-Y143 PolarHBondContact O-N 3.05Å; A139-T176 WeakPolarHBondContact O-CB 3.39Å; A139-A179 HydrophobicContact CB-CB 4.05Å; A139-S180 WeakPolarHBondContact CB-OG 3.14Å; A139-W217 HydrophobicContact CB-CH2 3.98Å; A139-W217 HydrophobicContact CB-CZ2 4.28Å
140D91.3Very high84.4Confident0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-64-38.8176-76.1-21.7000112.3L136 Y143 L144 S180 S361 N364L136-D140 WeakPolarHBondContact O-CB 3.41Å; L136-D140 PolarHBondContact O-N 3.32Å; D140-Y143 PolarHBondContact O-N 2.93Å; D140-L144 VanDerWaalsContact O-CB 3.25Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 WeakPolarHBondContact O-CD1 3.28Å; D140-L144 WeakPolarHBondContact O-CG 3.4Å; D140-L144 PolarHBondContact O-N 3.37Å; D140-S180 PolarHBondContact OD1-OG 2.74Å; D140-S361 VanDerWaalsContact CG-OG 3.3Å; D140-S361 WeakPolarHBondContact OD1-CB 3.44Å; D140-S361 PolarHBondContact OD1-OG 3.28Å; D140-N364 PolarHBondContact OD2-ND2 2.9Å
141L90.5Very high83.7Confident35 Ų3518.2 Ų18.218%0.18310%0.101CC..Hα-helixtrans-67.6-37.5174.3-77.5170.4000112.7V109 N112 V113 L116 A137 L138 S145V109-L141 HydrophobicContact CB-CD2 4.26Å; V109-L141 HydrophobicContact CG1-CD2 4.09Å; V109-L141 HydrophobicContact CG2-CD2 4.2Å; N112-L141 HydrophobicContact CB-CD1 4.31Å; N112-L141 HydrophobicContact CB-CD2 3.86Å; N112-L141 HydrophobicContact CB-CG 3.74Å; V113-L141 HydrophobicContact CG2-CD1 4.15Å; V113-L141 HydrophobicContact CG2-CD2 4.02Å; L116-L141 HydrophobicContact CD1-CD1 3.54Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CG 3.33Å; A137-L141 PolarHBondContact O-N 3.1Å; L138-L141 PolarHBondContact O-N 3.31Å; L141-S145 WeakPolarHBondContact O-CB 3.08Å; L141-S145 PolarHBondContact O-N 2.93Å
142L89.7Confident82.7Confident72 Ų7219.6 Ų19.638%0.37711%0.111SC..Hα-helixtrans-68.1-39173.7-70.4168000111.2L138 A139 S145 L172 T176 W217L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 2.9Å; A139-L142 PolarHBondContact O-N 3.11Å; L142-S145 WeakPolarHBondContact O-CB 3.22Å; L142-S145 PolarHBondContact O-N 3.29Å; L142-S145 PolarHBondContact O-OG 2.91Å; L142-L172 HydrophobicContact CB-CD1 4.37Å; L142-T176 HydrophobicContact CB-CG2 3.38Å; L142-T176 HydrophobicContact CD1-CG2 4.34Å; L142-W217 HydrophobicContact CD1-CH2 4.05Å
143Y86.7Confident81.5Confident4 Ų419.5 Ų19.52%0.01611%0.11CC..Hα-helixtrans-63.8-51.5174.3-172.9-127.3000111.6A139 D140 S145 T146 D173 T176 M177 T357 Y358 S361A139-Y143 WeakPolarHBondContact O-CB 3.19Å; A139-Y143 PolarHBondContact O-N 3.05Å; D140-Y143 PolarHBondContact O-N 2.93Å; Y143-S145 PolarHBondContact O-N 3.34Å; Y143-T146 WeakPolarHBondContact O-CB 3.37Å; Y143-T146 WeakPolarHBondContact O-CG2 3.06Å; Y143-T146 PolarHBondContact O-N 3.48Å; Y143-T146 PolarHBondContact O-OG1 3.34Å; Y143-D173 WeakPolarHBondContact CD2-OD1 3.2Å; Y143-D173 WeakPolarHBondContact CE2-OD1 3.34Å; Y143-T176 WeakPolarHBondContact CA-OG1 3.38Å; Y143-T176 WeakPolarHBondContact CB-OG1 3.35Å; Y143-T176 WeakPolarHBondContact CD2-OG1 2.99Å; Y143-M177 HydrophobicContact CE2-CB 4.45Å; Y143-T357 WeakPolarHBondContact OH-CB 3.37Å; Y143-T357 PolarHBondContact OH-OG1 3.01Å; Y143-Y358 AromaticContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CE1 4.24Å; Y143-Y358 HydrophobicContact CD2-CE1 4.29Å; Y143-Y358 AromaticContact CE1-CD1 3.39Å; Y143-Y358 HydrophobicContact CE1-CD1 3.39Å; Y143-Y358 AromaticContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CG 4.23Å; Y143-Y358 HydrophobicContact CE2-CD1 4.28Å; Y143-Y358 AromaticContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CG-CE1 4.43Å; Y143-Y358 AromaticContact CZ-CD1 3.58Å; Y143-Y358 AromaticContact CZ-CE1 3.63Å; Y143-S361 WeakPolarHBondContact CD1-OG 3.02Å
144L87.8Confident80.3Confident0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-64.9-26.3176.9-67166.8000112.3Y105 G108 V109 D140 T146 I147Y105-L144 VanDerWaalsContact CD2-O 3.29Å; Y105-L144 WeakPolarHBondContact CD2-O 3.42Å; G108-L144 VanDerWaalsContact CA-CD1 3.48Å; V109-L144 HydrophobicContact CG2-CB 4.18Å; D140-L144 VanDerWaalsContact O-CB 3.25Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 WeakPolarHBondContact O-CD1 3.28Å; D140-L144 WeakPolarHBondContact O-CG 3.4Å; D140-L144 PolarHBondContact O-N 3.37Å; L144-T146 PolarHBondContact O-N 2.88Å; L144-I147 HydrophobicContact CD2-CD1 3.53Å; L144-I147 WeakPolarHBondContact O-CB 3.3Å; L144-I147 PolarHBondContact O-N 2.94Å
145S86.2Confident79.2Confident33 Ų3323.6 Ų23.623%0.23113%0.127CC..Hα-helixtrans-56.9-33.6171.583.20000110.4L141 L142 Y143 I147 P148 F149L141-S145 WeakPolarHBondContact O-CB 3.08Å; L141-S145 PolarHBondContact O-N 2.93Å; L142-S145 WeakPolarHBondContact O-CB 3.22Å; L142-S145 PolarHBondContact O-N 3.29Å; L142-S145 PolarHBondContact O-OG 2.91Å; Y143-S145 PolarHBondContact O-N 3.34Å; S145-I147 PolarHBondContact O-N 3.06Å; S145-P148 VanDerWaalsContact O-CD 3.3Å; S145-P148 WeakPolarHBondContact O-CD 3.43Å; S145-F149 WeakPolarHBondContact O-CD2 3.31Å; S145-F149 WeakPolarHBondContact O-CE2 3.15Å; S145-F149 WeakPolarHBondContact O-CG 3.3Å
146T77.4Confident78Confident0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-67.95.3174.1790000115.1N42 Y143 L144 F149 V150 L172 D173 Y358N42-T146 WeakPolarHBondContact O-CB 3.4Å; Y143-T146 WeakPolarHBondContact O-CB 3.37Å; Y143-T146 WeakPolarHBondContact O-CG2 3.06Å; Y143-T146 PolarHBondContact O-N 3.48Å; Y143-T146 PolarHBondContact O-OG1 3.34Å; L144-T146 PolarHBondContact O-N 2.88Å; T146-F149 WeakPolarHBondContact O-CB 3.32Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.93Å; T146-L172 HydrophobicContact CG2-CD2 4.25Å; T146-L172 HydrophobicContact CG2-CG 4.43Å; T146-D173 HydrophobicContact CG2-CB 4.42Å; T146-D173 PolarHBondContact OG1-OD1 2.68Å; T146-Y358 PolarHBondContact O-OH 3.38Å; T146-Y358 WeakPolarHBondContact OG1-CE1 3.46Å; T146-Y358 PolarHBondContact OG1-OH 3.48Å
147I76.1Confident76.8Confident1 Ų132.3 Ų32.31%0.00517%0.168CC..Hα-helixtrans-83.4-57.1-179.3-62.6177.9000116.7L101 V104 Y105 L144 S145 F149 V150 V151 Y358L101-I147 HydrophobicContact CB-CG2 3.77Å; L101-I147 HydrophobicContact CD1-CG2 4.41Å; L101-I147 HydrophobicContact CD2-CG2 4.43Å; L101-I147 HydrophobicContact CG-CG2 4.44Å; L101-I147 WeakPolarHBondContact O-CG2 3.38Å; V104-I147 HydrophobicContact CG1-CD1 3.95Å; Y105-I147 HydrophobicContact CD2-CB 4.06Å; Y105-I147 HydrophobicContact CG-CB 4.42Å; L144-I147 HydrophobicContact CD2-CD1 3.53Å; L144-I147 WeakPolarHBondContact O-CB 3.3Å; L144-I147 PolarHBondContact O-N 2.94Å; S145-I147 PolarHBondContact O-N 3.06Å; I147-F149 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact O-N 3.16Å; I147-V150 WeakPolarHBondContact O-CB 3.35Å; I147-V150 VanDerWaalsContact O-CG2 3.23Å; I147-V150 WeakPolarHBondContact O-CG2 3.33Å; I147-V150 PolarHBondContact O-N 2.82Å; I147-V151 PolarHBondContact O-N 3.19Å; I147-Y358 HydrophobicContact CD1-CD1 3.61Å; I147-Y358 HydrophobicContact CD1-CD2 4.45Å; I147-Y358 HydrophobicContact CD1-CE1 4.06Å; I147-Y358 HydrophobicContact CD1-CG 3.81Å; I147-Y358 HydrophobicContact CG1-CD1 3.63Å; I147-Y358 HydrophobicContact CG1-CD2 4.36Å; I147-Y358 HydrophobicContact CG1-CE1 3.52Å; I147-Y358 HydrophobicContact CG1-CE2 4.24Å; I147-Y358 HydrophobicContact CG1-CG 4.04Å
148P73.6Confident75.4Confident39 Ų3933.8 Ų33.825%0.25318%0.175SC..Hα-helixtrans-55.4-40.3-179.6-20.732.6000110.5Y105 S145 V150 V151 C152Y105-P148 HydrophobicContact CD1-CG 4.22Å; Y105-P148 HydrophobicContact CD2-CG 3.86Å; Y105-P148 HydrophobicContact CE1-CG 3.99Å; Y105-P148 HydrophobicContact CE2-CG 3.58Å; Y105-P148 HydrophobicContact CG-CG 4.16Å; S145-P148 VanDerWaalsContact O-CD 3.3Å; S145-P148 WeakPolarHBondContact O-CD 3.43Å; P148-V150 PolarHBondContact O-N 3.13Å; P148-V151 WeakPolarHBondContact O-CB 3.04Å; P148-V151 PolarHBondContact O-N 3.3Å; P148-C152 PolarHBondContact O-N 3.05Å; P148-C152 VanDerWaalsContact O-N 3.13Å
149F69.9Low74.3Confident15 Ų1530.3 Ų30.37%0.06616%0.157CC..Hα-helixtrans-25.4-64154.3-87.6-121.7000116.9F40 Y41 N42 S145 T146 I147 V151 L169F40-F149 VanDerWaalsContact C-CE2 3.48Å; F40-F149 HydrophobicContact CB-CD2 3.81Å; F40-F149 HydrophobicContact CB-CE1 3.78Å; F40-F149 HydrophobicContact CB-CE2 3.11Å; F40-F149 HydrophobicContact CB-CZ 3.08Å; F40-F149 HydrophobicContact CG-CE2 4.26Å; F40-F149 HydrophobicContact CG-CZ 4.1Å; F40-F149 WeakPolarHBondContact O-CA 3.47Å; F40-F149 WeakPolarHBondContact O-CD2 3.46Å; F40-F149 WeakPolarHBondContact O-CG 3.49Å; Y41-F149 VanDerWaalsContact CA-CG 3.48Å; N42-F149 WeakPolarHBondContact CA-O 3.29Å; N42-F149 PolarHBondContact N-O 3.42Å; N42-F149 VanDerWaalsContact N-O 3.16Å; S145-F149 WeakPolarHBondContact O-CD2 3.31Å; S145-F149 WeakPolarHBondContact O-CE2 3.15Å; S145-F149 WeakPolarHBondContact O-CG 3.3Å; T146-F149 WeakPolarHBondContact O-CB 3.32Å; I147-F149 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact O-N 3.16Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 3.07Å; F149-L169 HydrophobicContact CD1-CD1 4.12Å; F149-L169 HydrophobicContact CD1-CD2 4.22Å; F149-L169 HydrophobicContact CE1-CD1 4.06Å; F149-L169 HydrophobicContact CE1-CD2 3.58Å; F149-L169 HydrophobicContact CE1-CG 4.42Å
150V66.1Low73.2Confident1 Ų136.5 Ų36.51%0.00618%0.181CC..Hα-helixtrans-53.9-50.8174.2-165.90000110.7F43 F97 L101 T146 I147 P148 C152 T153 Y154 Y358F43-V150 HydrophobicContact CB-CB 4.02Å; F43-V150 HydrophobicContact CB-CG1 4Å; F43-V150 HydrophobicContact CB-CG2 3.31Å; F43-V150 HydrophobicContact CD1-CG1 4.45Å; F43-V150 HydrophobicContact CG-CG2 4.21Å; F97-V150 HydrophobicContact CE1-CG1 4Å; F97-V150 HydrophobicContact CZ-CG1 4.44Å; L101-V150 HydrophobicContact CD1-CB 3.78Å; L101-V150 HydrophobicContact CD1-CG1 3.72Å; L101-V150 HydrophobicContact CD1-CG2 3.81Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.93Å; I147-V150 WeakPolarHBondContact O-CB 3.35Å; I147-V150 VanDerWaalsContact O-CG2 3.23Å; I147-V150 WeakPolarHBondContact O-CG2 3.33Å; I147-V150 PolarHBondContact O-N 2.82Å; P148-V150 PolarHBondContact O-N 3.13Å; V150-C152 VanDerWaalsContact C-N 3.34Å; V150-C152 PolarHBondContact O-N 3.5Å; V150-T153 PolarHBondContact O-N 3.31Å; V150-T153 PolarHBondContact O-OG1 3.03Å; V150-Y154 PolarHBondContact O-N 3.36Å; V150-Y154 VanDerWaalsContact O-N 3.13Å; V150-Y358 HydrophobicContact CG2-CE2 4.2Å
151V64.8Low72Confident14 Ų1439.3 Ų39.39%0.08519%0.193CC..Hα-helixtrans-67.3-41.3-160177.10000109.4L101 I147 P148 F149 Y154 F155L101-V151 HydrophobicContact CB-CG2 3.96Å; L101-V151 HydrophobicContact CD1-CG2 3.99Å; I147-V151 PolarHBondContact O-N 3.19Å; P148-V151 WeakPolarHBondContact O-CB 3.04Å; P148-V151 PolarHBondContact O-N 3.3Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 3.07Å; V151-Y154 PolarHBondContact O-N 3.19Å; V151-F155 HydrophobicContact CG1-CD2 3.71Å; V151-F155 HydrophobicContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact O-CD2 3.25Å; V151-F155 WeakPolarHBondContact O-CD2 3.39Å; V151-F155 PolarHBondContact O-N 2.94Å; V151-F155 VanDerWaalsContact O-N 3.08Å
152C63.6Low71.2Confident45 Ų4538.7 Ų38.730%0.30420%0.196SC..Hα-helixtrans-61.3-48.1174.2-66.70000113.5Y41 P148 V150 Y154 F155 L156Y41-C152 HydrophobicContact CD1-CB 3.64Å; Y41-C152 HydrophobicContact CE1-CB 3.72Å; P148-C152 PolarHBondContact O-N 3.05Å; P148-C152 VanDerWaalsContact O-N 3.13Å; V150-C152 VanDerWaalsContact C-N 3.34Å; V150-C152 PolarHBondContact O-N 3.5Å; C152-Y154 PolarHBondContact O-N 3.04Å; C152-F155 PolarHBondContact O-N 3.33Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 WeakPolarHBondContact O-CG 3.29Å; C152-L156 PolarHBondContact O-N 2.9Å
153T60.1Low70.6Confident8 Ų837.7 Ų37.75%0.04919%0.191CC..Hα-helixtrans-61.9-27.7178.449.50000112.9S44 V150 K157 F161S44-T153 WeakPolarHBondContact CB-OG1 3.45Å; V150-T153 PolarHBondContact O-N 3.31Å; V150-T153 PolarHBondContact O-OG1 3.03Å; T153-K157 PolarHBondContact O-N 3.18Å; T153-F161 HydrophobicContact CG2-CD2 4.4Å; T153-F161 HydrophobicContact CG2-CE2 4.03Å
154Y62.4Low70.2Confident13 Ų1342.3 Ų42.35%0.05122%0.219CC..Hα-helixtrans-78.2-45.7179.7-174.9-149.5000112.5T94 F97 V150 V151 C152 K157 Y351T94-Y154 VanDerWaalsContact CA-CE1 3.45Å; T94-Y154 VanDerWaalsContact CA-OH 3.32Å; T94-Y154 WeakPolarHBondContact CA-OH 3.35Å; T94-Y154 HydrophobicContact CG2-CD1 3.89Å; T94-Y154 HydrophobicContact CG2-CE1 3.68Å; T94-Y154 HydrophobicContact CG2-CE2 4.28Å; T94-Y154 HydrophobicContact CG2-CG 4.33Å; T94-Y154 PolarHBondContact OG1-OH 2.92Å; F97-Y154 HydrophobicContact CB-CE1 4.14Å; F97-Y154 AromaticContact CD1-CD1 3.71Å; F97-Y154 HydrophobicContact CD1-CD1 3.71Å; F97-Y154 AromaticContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CD1-CE1 3.59Å; F97-Y154 HydrophobicContact CE1-CD1 4.33Å; F97-Y154 HydrophobicContact CE1-CE1 4.47Å; F97-Y154 HydrophobicContact CG-CE1 4.3Å; V150-Y154 PolarHBondContact O-N 3.36Å; V150-Y154 VanDerWaalsContact O-N 3.13Å; V151-Y154 PolarHBondContact O-N 3.19Å; C152-Y154 PolarHBondContact O-N 3.04Å; Y154-K157 WeakPolarHBondContact O-CG 3.3Å; Y154-K157 PolarHBondContact O-N 2.94Å; Y154-Y351 HydrophobicContact CE1-CE2 4.47Å; Y154-Y351 AromaticContact CE2-CZ 3.86Å; Y154-Y351 WeakPolarHBondContact CE2-OH 3.43Å; Y154-Y351 AromaticContact CZ-CE2 3.87Å; Y154-Y351 AromaticContact CZ-CZ 3.53Å; Y154-Y351 VanDerWaalsContact OH-CE2 3.24Å; Y154-Y351 WeakPolarHBondContact OH-CE2 3.06Å; Y154-Y351 PolarHBondContact OH-OH 3.46Å
155F64.6Low69.5Low112 Ų11242.9 Ų42.949%0.49123%0.226SC..Hα-helixtrans-63.9-39.1174.8-80.1-65.2000113T94 V151 C152 K157T94-F155 HydrophobicContact CG2-CD1 3.83Å; T94-F155 HydrophobicContact CG2-CE1 3.74Å; T94-F155 HydrophobicContact CG2-CZ 4.43Å; V151-F155 HydrophobicContact CG1-CD2 3.71Å; V151-F155 HydrophobicContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact CG1-CE2 3.45Å; V151-F155 VanDerWaalsContact O-CD2 3.25Å; V151-F155 WeakPolarHBondContact O-CD2 3.39Å; V151-F155 PolarHBondContact O-N 2.94Å; V151-F155 VanDerWaalsContact O-N 3.08Å; C152-F155 PolarHBondContact O-N 3.33Å; F155-K157 VanDerWaalsContact C-N 3.32Å
156L64.7Low68.8Low97 Ų9741.3 Ų41.351%0.50822%0.215SC..Hα-helixtrans-78.6-15.8-179.8-64.8173.5000113.5C152 D158 Y160C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 WeakPolarHBondContact O-CG 3.29Å; C152-L156 PolarHBondContact O-N 2.9Å; L156-D158 PolarHBondContact O-N 3.4Å; L156-Y160 HydrophobicContact CB-CE2 3.97Å; L156-Y160 HydrophobicContact CD1-CD2 4.01Å; L156-Y160 HydrophobicContact CD1-CE2 4.02Å
157K64.4Low69Low114 Ų11444.4 Ų44.450%0.49623%0.226SC..  trans53.414.2-178.5-62.4-172.1176.4-172.40115.5T153 Y154 F155 K244T153-K157 PolarHBondContact O-N 3.18Å; Y154-K157 WeakPolarHBondContact O-CG 3.3Å; Y154-K157 PolarHBondContact O-N 2.94Å; F155-K157 VanDerWaalsContact C-N 3.32Å; K157-K244 WeakPolarHBondContact O-CD 3.44Å; K157-K244 WeakPolarHBondContact O-CE 3.41Å; K157-K244 PolarHBondContact O-NZ 3.39Å
158D62.1Low69.2Low31 Ų3149 Ų4917%0.16625%0.25CC..SBendtrans-144.7163.9-179.6-169.528.3000111.4L156 Y160 R245L156-D158 PolarHBondContact O-N 3.4Å; D158-Y160 HydrophobicContact CB-CE2 3.84Å; D158-R245 PolarHBondContact OD1-N 2.85Å
159W66.9Low69.3Low2 Ų248.2 Ų48.21%0.00824%0.243CC..  trans-105120.4-176.4177.4-79.9000112.7N42 T45 F161 G162 C166 R245 C247N42-W159 VanDerWaalsContact CG-CH2 3.45Å; N42-W159 WeakPolarHBondContact ND2-CH2 3.43Å; N42-W159 WeakPolarHBondContact ND2-CZ3 3.16Å; N42-W159 VanDerWaalsContact OD1-CZ3 3.25Å; N42-W159 WeakPolarHBondContact OD1-CZ3 3.48Å; T45-W159 HydrophobicContact CG2-CE3 3.52Å; T45-W159 HydrophobicContact CG2-CZ3 3.75Å; T45-W159 VanDerWaalsContact OG1-CE3 3.25Å; T45-W159 WeakPolarHBondContact OG1-CZ3 3.47Å; W159-F161 HydrophobicContact CZ2-CB 3.75Å; W159-F161 HydrophobicContact CZ2-CD2 4.49Å; W159-G162 PolarHBondContact NE1-O 3.03Å; W159-C166 VanDerWaalsContact CH2-CA 3.41Å; W159-C166 HydrophobicContact CH2-CB 3.99Å; W159-C166 HydrophobicContact CZ2-CB 3.65Å; W159-R245 HydrophobicContact CB-CB 3.8Å; W159-R245 WeakPolarHBondContact CB-O 3.42Å; W159-C247 WeakPolarHBondContact CH2-SG 3.32Å; W159-C247 WeakPolarHBondContact CZ3-SG 3.46Å
160Y68.6Low69.5Low131 Ų13147.8 Ų47.851%0.51424%0.242SC..  trans-112.4-3.4-175.4-65-80.8000115.3L156 D158L156-Y160 HydrophobicContact CB-CE2 3.97Å; L156-Y160 HydrophobicContact CD1-CD2 4.01Å; L156-Y160 HydrophobicContact CD1-CE2 4.02Å; D158-Y160 HydrophobicContact CB-CE2 3.84Å
161F66.1Low70.3Confident58 Ų5848.2 Ų48.225%0.25425%0.245SC..SBendtrans-96.67-168.5-54-69.4000114.6Y41 T153 W159 G165Y41-F161 VanDerWaalsContact CB-CE1 3.42Å; Y41-F161 AromaticContact CD1-CE1 3.93Å; Y41-F161 HydrophobicContact CD1-CE1 3.93Å; Y41-F161 AromaticContact CD1-CE2 3.98Å; Y41-F161 HydrophobicContact CD1-CE2 3.98Å; Y41-F161 AromaticContact CD1-CZ 3.37Å; Y41-F161 HydrophobicContact CD1-CZ 3.37Å; Y41-F161 AromaticContact CD2-CD1 3.78Å; Y41-F161 HydrophobicContact CD2-CD1 3.78Å; Y41-F161 AromaticContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE1 3.07Å; Y41-F161 HydrophobicContact CD2-CE2 4.43Å; Y41-F161 AromaticContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CD2-CZ 3.49Å; Y41-F161 VanDerWaalsContact CD2-CZ 3.49Å; Y41-F161 HydrophobicContact CE1-CE1 4.44Å; Y41-F161 AromaticContact CE1-CZ 3.98Å; Y41-F161 HydrophobicContact CE1-CZ 3.98Å; Y41-F161 AromaticContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CE1 3.7Å; Y41-F161 HydrophobicContact CE2-CZ 4.09Å; Y41-F161 AromaticContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD1 3.93Å; Y41-F161 HydrophobicContact CG-CD2 4.35Å; Y41-F161 AromaticContact CG-CE1 3.2Å; Y41-F161 HydrophobicContact CG-CE1 3.2Å; Y41-F161 AromaticContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CE2 3.7Å; Y41-F161 HydrophobicContact CG-CG 4.48Å; Y41-F161 AromaticContact CG-CZ 3.07Å; Y41-F161 HydrophobicContact CG-CZ 3.07Å; T153-F161 HydrophobicContact CG2-CD2 4.4Å; T153-F161 HydrophobicContact CG2-CE2 4.03Å; W159-F161 HydrophobicContact CZ2-CB 3.75Å; W159-F161 HydrophobicContact CZ2-CD2 4.49Å; F161-G165 PolarHBondContact O-N 2.9Å; F161-G165 VanDerWaalsContact O-N 3.16Å
162G73.7Confident71.2Confident23 Ų2349.3 Ų49.324%0.23725%0.25CC..Hα-helixtrans61.6179.8-176.400000114.4W159 V164 G165 C166 E233W159-G162 PolarHBondContact NE1-O 3.03Å; G162-V164 PolarHBondContact O-N 3.29Å; G162-G165 PolarHBondContact O-N 2.99Å; G162-C166 WeakPolarHBondContact O-CB 3.41Å; G162-C166 PolarHBondContact O-N 2.9Å; G162-C166 VanDerWaalsContact O-N 3.13Å; G162-E233 WeakPolarHBondContact CA-OE2 3.07Å
163D76.1Confident72Confident50 Ų5047.6 Ų47.627%0.26724%0.238SC..Hα-helixtrans-58.4-30.6173.9-169.670.5000113.5C166 R167 T232 E233D163-C166 WeakPolarHBondContact O-CB 3.44Å; D163-C166 PolarHBondContact O-N 3.19Å; D163-R167 WeakPolarHBondContact O-CG 3.45Å; D163-R167 PolarHBondContact O-N 3.41Å; D163-R167 VanDerWaalsContact O-N 3.11Å; D163-R167 IonicContact OD1-NE 3.53Å; D163-R167 IonicContact OD1-NH2 3.27Å; D163-R167 IonicContact OD2-CZ 3.93Å; D163-R167 VanDerWaalsContact OD2-CZ 3.27Å; D163-R167 IonicContact OD2-NE 2.91Å; D163-R167 PolarHBondContact OD2-NE 3.16Å; D163-R167 IonicContact OD2-NH2 3.25Å; D163-R167 PolarHBondContact OD2-NH2 3.11Å; D163-T232 WeakPolarHBondContact OD1-CA 3.48Å; D163-E233 HydrophobicContact CB-CB 4.05Å; D163-E233 PolarHBondContact N-OE2 3.33Å; D163-E233 PolarHBondContact OD1-N 2.88Å
164V78.7Confident73.1Confident101 Ų10148.2 Ų48.261%0.61224%0.241SC*.Hα-helixtrans-70.4-48.5179.5178.70000111.3G162 C166 R167 I168G162-V164 PolarHBondContact O-N 3.29Å; V164-C166 PolarHBondContact O-N 3.47Å; V164-R167 PolarHBondContact O-N 2.84Å; V164-I168 HydrophobicContact CG1-CD1 3.67Å; V164-I168 HydrophobicContact CG1-CG1 4.42Å; V164-I168 VanDerWaalsContact O-CG1 3.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.17Å
165G72.8Confident74.3Confident13 Ų1348.8 Ų48.813%0.13425%0.245CC..Hα-helixtrans-61.3-31.1173.500000111.9F161 G162 L169F161-G165 PolarHBondContact O-N 2.9Å; F161-G165 VanDerWaalsContact O-N 3.16Å; G162-G165 PolarHBondContact O-N 2.99Å; G165-L169 VanDerWaalsContact O-CB 3.27Å; G165-L169 WeakPolarHBondContact O-CB 3.25Å; G165-L169 WeakPolarHBondContact O-CG 3.28Å; G165-L169 PolarHBondContact O-N 3.31Å; G165-L169 VanDerWaalsContact O-N 3.09Å
166C73.2Confident75.4Confident0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-61.4-53.3179.7-176.40000110.8W159 G162 D163 V164 L170 V231 C247W159-C166 VanDerWaalsContact CH2-CA 3.41Å; W159-C166 HydrophobicContact CH2-CB 3.99Å; W159-C166 HydrophobicContact CZ2-CB 3.65Å; G162-C166 WeakPolarHBondContact O-CB 3.41Å; G162-C166 PolarHBondContact O-N 2.9Å; G162-C166 VanDerWaalsContact O-N 3.13Å; D163-C166 WeakPolarHBondContact O-CB 3.44Å; D163-C166 PolarHBondContact O-N 3.19Å; V164-C166 PolarHBondContact O-N 3.47Å; C166-L170 WeakPolarHBondContact O-CD1 3.25Å; C166-L170 PolarHBondContact O-N 3.45Å; C166-V231 WeakPolarHBondContact SG-CG1 3.32Å; C166-C247 WeakPolarHBondContact CA-SG 3.4Å; C166-C247 HydrophobicContact CB-CB 4.35Å; C166-C247 WeakPolarHBondContact CB-SG 3.48Å; C166-C247 VanDerWaalsContact SG-CA 3.53Å; C166-C247 WeakPolarHBondContact SG-CB 3.37Å; C166-C247 CovalentContact SG-SG 2Å; C166-C247 PolarHBondContact SG-SG 2.73Å
167R79.7Confident76.4Confident64 Ų6439.1 Ų39.124%0.24220%0.198CC..Hα-helixtrans-64.9-51.1177.5-63.8171.4-168.4-80.8-2.8112.1D163 V164 L169 S171 T228 V229 V231D163-R167 WeakPolarHBondContact O-CG 3.45Å; D163-R167 PolarHBondContact O-N 3.41Å; D163-R167 VanDerWaalsContact O-N 3.11Å; D163-R167 IonicContact OD1-NE 3.53Å; D163-R167 IonicContact OD1-NH2 3.27Å; D163-R167 IonicContact OD2-CZ 3.93Å; D163-R167 VanDerWaalsContact OD2-CZ 3.27Å; D163-R167 IonicContact OD2-NE 2.91Å; D163-R167 PolarHBondContact OD2-NE 3.16Å; D163-R167 IonicContact OD2-NH2 3.25Å; D163-R167 PolarHBondContact OD2-NH2 3.11Å; V164-R167 PolarHBondContact O-N 2.84Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 2.99Å; R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.2Å; R167-S171 VanDerWaalsContact O-N 3.1Å; R167-S171 PolarHBondContact O-OG 3.28Å; R167-T228 HydrophobicContact CB-CG2 4.35Å; R167-T228 WeakPolarHBondContact CG-O 3.39Å; R167-T228 PolarHBondContact NH1-O 3.35Å; R167-T228 VanDerWaalsContact NH1-O 3.11Å; R167-V229 PolarHBondContact NH1-O 3.11Å; R167-V231 VanDerWaalsContact CZ-O 3.24Å; R167-V231 PolarHBondContact NH1-O 2.97Å
168I81.1Confident77.5Confident98 Ų9833.7 Ų33.750%0.50318%0.175SC..Hα-helixtrans-60.8-42.2-172.2-65.5173.3000110.7V164 S171 L172V164-I168 HydrophobicContact CG1-CD1 3.67Å; V164-I168 HydrophobicContact CG1-CG1 4.42Å; V164-I168 VanDerWaalsContact O-CG1 3.29Å; V164-I168 WeakPolarHBondContact O-CG1 3.49Å; V164-I168 PolarHBondContact O-N 3.17Å; I168-S171 PolarHBondContact O-N 3.47Å; I168-L172 VanDerWaalsContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 PolarHBondContact O-N 3.1Å
169L75.5Confident78.9Confident23 Ų2332.2 Ų32.212%0.1217%0.167CC..Hα-helixtrans-87.9-35.6-165.9-57.6179.5000113.2Y41 N42 F149 G165 R167 S171 L172 D173Y41-L169 WeakPolarHBondContact O-CD1 3.45Å; N42-L169 HydrophobicContact CB-CB 3.55Å; N42-L169 HydrophobicContact CB-CD1 3.85Å; N42-L169 HydrophobicContact CB-CG 4.32Å; F149-L169 HydrophobicContact CD1-CD1 4.12Å; F149-L169 HydrophobicContact CD1-CD2 4.22Å; F149-L169 HydrophobicContact CE1-CD1 4.06Å; F149-L169 HydrophobicContact CE1-CD2 3.58Å; F149-L169 HydrophobicContact CE1-CG 4.42Å; G165-L169 VanDerWaalsContact O-CB 3.27Å; G165-L169 WeakPolarHBondContact O-CB 3.25Å; G165-L169 WeakPolarHBondContact O-CG 3.28Å; G165-L169 PolarHBondContact O-N 3.31Å; G165-L169 VanDerWaalsContact O-N 3.09Å; R167-L169 VanDerWaalsContact C-N 3.3Å; R167-L169 PolarHBondContact O-N 2.99Å; L169-S171 PolarHBondContact O-N 2.94Å; L169-L172 HydrophobicContact CD2-CD2 4.46Å; L169-D173 WeakPolarHBondContact O-CB 3.43Å; L169-D173 PolarHBondContact O-N 2.74Å
170L75.1Confident80Confident5 Ų532.6 Ų32.63%0.02617%0.17CC..Hα-helixtrans-63.2-33.7165.4-81.487.2000111.7I46 C166 L174 M227 V231 C247I46-L170 HydrophobicContact CD1-CD2 4.35Å; I46-L170 HydrophobicContact CD1-CG 3.99Å; I46-L170 HydrophobicContact CG1-CD1 4.45Å; I46-L170 HydrophobicContact CG1-CD2 3.62Å; I46-L170 HydrophobicContact CG1-CG 3.6Å; C166-L170 WeakPolarHBondContact O-CD1 3.25Å; C166-L170 PolarHBondContact O-N 3.45Å; L170-L174 PolarHBondContact O-N 2.9Å; L170-M227 HydrophobicContact CD2-CE 3.99Å; L170-V231 HydrophobicContact CD2-CG1 4.13Å; L170-V231 HydrophobicContact CD2-CG2 4.09Å; L170-C247 HydrophobicContact CD1-CB 4.25Å
171S81.4Confident80.9Confident11 Ų1126.5 Ų26.58%0.07715%0.146CC..Hα-helixtrans-74.9-42.1178.3-55.30000112.5R167 I168 L169 D173 L175 T228R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.2Å; R167-S171 VanDerWaalsContact O-N 3.1Å; R167-S171 PolarHBondContact O-OG 3.28Å; I168-S171 PolarHBondContact O-N 3.47Å; L169-S171 PolarHBondContact O-N 2.94Å; S171-D173 VanDerWaalsContact C-N 3.31Å; S171-D173 PolarHBondContact O-N 2.98Å; S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.29Å; S171-T228 WeakPolarHBondContact CB-OG1 3.46Å; S171-T228 WeakPolarHBondContact OG-CA 3.49Å; S171-T228 VanDerWaalsContact OG-CB 3.28Å; S171-T228 WeakPolarHBondContact OG-CB 3.39Å; S171-T228 WeakPolarHBondContact OG-CG2 3.5Å; S171-T228 PolarHBondContact OG-OG1 3.29Å
172L83.6Confident82.1Confident36 Ų3624.7 Ų24.719%0.18814%0.138CC..Hα-helixtrans-61.1-41.8178.5-178.264.1000111.4L142 T146 I168 L169 L175 T176L142-L172 HydrophobicContact CB-CD1 4.37Å; T146-L172 HydrophobicContact CG2-CD2 4.25Å; T146-L172 HydrophobicContact CG2-CG 4.43Å; I168-L172 VanDerWaalsContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 PolarHBondContact O-N 3.1Å; L169-L172 HydrophobicContact CD2-CD2 4.46Å; L172-L175 PolarHBondContact O-N 3.07Å; L172-T176 HydrophobicContact CD1-CG2 3.86Å; L172-T176 HydrophobicContact CG-CG2 4.33Å; L172-T176 WeakPolarHBondContact O-CB 3.23Å; L172-T176 WeakPolarHBondContact O-CG2 3.35Å; L172-T176 PolarHBondContact O-N 2.67Å; L172-T176 PolarHBondContact O-OG1 2.92Å
173D80.5Confident82.9Confident9 Ų924 Ų245%0.04813%0.129CC..Hα-helixtrans-60.4-54.7178.6-170.381.2000112F43 Y143 T146 L169 S171 L175 T176 M177F43-D173 WeakPolarHBondContact CD2-OD1 3.43Å; F43-D173 WeakPolarHBondContact CE2-OD1 3.43Å; F43-D173 VanDerWaalsContact CE2-OD2 3.29Å; F43-D173 WeakPolarHBondContact CE2-OD2 3.45Å; Y143-D173 WeakPolarHBondContact CD2-OD1 3.2Å; Y143-D173 WeakPolarHBondContact CE2-OD1 3.34Å; T146-D173 HydrophobicContact CG2-CB 4.42Å; T146-D173 PolarHBondContact OG1-OD1 2.68Å; L169-D173 WeakPolarHBondContact O-CB 3.43Å; L169-D173 PolarHBondContact O-N 2.74Å; S171-D173 VanDerWaalsContact C-N 3.31Å; S171-D173 PolarHBondContact O-N 2.98Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.23Å; D173-T176 PolarHBondContact O-N 3.09Å; D173-T176 PolarHBondContact O-OG1 2.95Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 2.92Å
174L83.1Confident83.3Confident22 Ų2222 Ų2212%0.11512%0.118CC..Hα-helixtrans-61.2-41.4175.4-69.6171.3000112L170 T176 M177 H178 T224 M227L170-L174 PolarHBondContact O-N 2.9Å; L174-T176 PolarHBondContact O-N 3.49Å; L174-M177 HydrophobicContact CD2-CE 4.27Å; L174-M177 PolarHBondContact O-N 3.33Å; L174-H178 PolarHBondContact O-CD2 3.28Å; L174-H178 PolarHBondContact O-N 3.16Å; L174-T224 HydrophobicContact CB-CG2 3.58Å; L174-M227 HydrophobicContact CD1-CB 3.93Å; L174-M227 HydrophobicContact CD1-CG 3.69Å
175L88.3Confident83.8Confident25 Ų2517.8 Ų17.813%0.1319%0.093CC..Hα-helixtrans-61.4-47.8-176.7169.361.9000110.7S171 L172 D173 H178 A179 W217 L221 T224S171-L175 WeakPolarHBondContact O-CB 3.3Å; S171-L175 PolarHBondContact O-N 3.29Å; L172-L175 PolarHBondContact O-N 3.07Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.23Å; L175-H178 PolarHBondContact O-N 3.36Å; L175-A179 VanDerWaalsContact O-CB 3.25Å; L175-A179 WeakPolarHBondContact O-CB 3.19Å; L175-A179 PolarHBondContact O-N 2.91Å; L175-W217 HydrophobicContact CD1-CE3 4.47Å; L175-L221 HydrophobicContact CD1-CB 4.41Å; L175-L221 HydrophobicContact CD1-CD2 3.79Å; L175-L221 HydrophobicContact CD1-CG 3.75Å; L175-L221 HydrophobicContact CD2-CD2 3.81Å; L175-L221 HydrophobicContact CG-CD2 4.45Å; L175-T224 HydrophobicContact CB-CG2 3.89Å; L175-T224 VanDerWaalsContact N-CG2 3.32Å
176T88.3Confident84.6Confident0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-71.8-39.5-177.853.30000111.3A139 L142 Y143 L172 D173 L174 A179 S180A139-T176 WeakPolarHBondContact O-CB 3.39Å; L142-T176 HydrophobicContact CB-CG2 3.38Å; L142-T176 HydrophobicContact CD1-CG2 4.34Å; Y143-T176 WeakPolarHBondContact CA-OG1 3.38Å; Y143-T176 WeakPolarHBondContact CB-OG1 3.35Å; Y143-T176 WeakPolarHBondContact CD2-OG1 2.99Å; L172-T176 HydrophobicContact CD1-CG2 3.86Å; L172-T176 HydrophobicContact CG-CG2 4.33Å; L172-T176 WeakPolarHBondContact O-CB 3.23Å; L172-T176 WeakPolarHBondContact O-CG2 3.35Å; L172-T176 PolarHBondContact O-N 2.67Å; L172-T176 PolarHBondContact O-OG1 2.92Å; D173-T176 PolarHBondContact O-N 3.09Å; D173-T176 PolarHBondContact O-OG1 2.95Å; L174-T176 PolarHBondContact O-N 3.49Å; T176-A179 PolarHBondContact O-N 2.85Å; T176-S180 PolarHBondContact O-N 2.92Å; T176-S180 PolarHBondContact O-OG 2.94Å
177M85Confident85Confident6 Ų618.7 Ų18.73%0.0310%0.096CC..Hα-helixtrans-54.8-54.9168.9-178.7-158.571.800111.6Y143 D173 L174 A179 S180 I181 F322 W326Y143-M177 HydrophobicContact CE2-CB 4.45Å; D173-M177 WeakPolarHBondContact O-CB 3.41Å; D173-M177 PolarHBondContact O-N 2.92Å; L174-M177 HydrophobicContact CD2-CE 4.27Å; L174-M177 PolarHBondContact O-N 3.33Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.48Å; M177-S180 PolarHBondContact O-N 2.87Å; M177-I181 HydrophobicContact CE-CD1 4.35Å; M177-I181 HydrophobicContact CG-CD1 4.01Å; M177-I181 VanDerWaalsContact O-CG1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.28Å; M177-I181 PolarHBondContact O-N 3.45Å; M177-I181 VanDerWaalsContact O-N 3.1Å; M177-F322 HydrophobicContact CG-CD1 4.26Å; M177-F322 HydrophobicContact CG-CE1 3.48Å; M177-F322 VanDerWaalsContact CG-CE1 3.48Å; M177-F322 HydrophobicContact CG-CZ 3.97Å; M177-F322 HydrophobicContact SD-CD1 4.08Å; M177-F322 HydrophobicContact SD-CE1 3.73Å; M177-W326 HydrophobicContact CE-CZ2 3.76Å; M177-W326 HydrophobicContact SD-CZ2 4.24Å
178H88.2Confident85.1Confident0 Ų016 Ų160%09%0.086CC..Hα-helixtrans-61.5-39.9178.5-66.4-57.8000112L174 L175 I181 F182 S220 S267L174-H178 PolarHBondContact O-CD2 3.28Å; L174-H178 PolarHBondContact O-N 3.16Å; L175-H178 PolarHBondContact O-N 3.36Å; H178-I181 PolarHBondContact O-N 3.49Å; H178-F182 HydrophobicContact CB-CD2 4.49Å; H178-F182 HydrophobicContact CB-CE2 4.04Å; H178-F182 VanDerWaalsContact O-CD2 3.28Å; H178-F182 WeakPolarHBondContact O-CD2 3.48Å; H178-F182 WeakPolarHBondContact O-CG 3.39Å; H178-F182 PolarHBondContact O-N 3.19Å; H178-S220 WeakPolarHBondContact CB-OG 3.2Å; H178-S267 PolarHBondContact CE1-OG 3.28Å; H178-S267 PolarHBondContact ND1-OG 3.27Å
179A91.3Very high85.2Confident0 Ų013.4 Ų13.40%08%0.076CC..Hα-helixtrans-62.7-42.3177.800000112.3A139 L175 T176 M177 T183 V216 W217 S220A139-A179 HydrophobicContact CB-CB 4.05Å; L175-A179 VanDerWaalsContact O-CB 3.25Å; L175-A179 WeakPolarHBondContact O-CB 3.19Å; L175-A179 PolarHBondContact O-N 2.91Å; T176-A179 PolarHBondContact O-N 2.85Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.48Å; A179-T183 WeakPolarHBondContact O-CB 3.39Å; A179-T183 PolarHBondContact O-N 3.35Å; A179-T183 PolarHBondContact O-OG1 3.27Å; A179-V216 HydrophobicContact CB-CG1 4.44Å; A179-W217 HydrophobicContact CB-CD2 4.45Å; A179-W217 HydrophobicContact CB-CE3 4.08Å; A179-W217 HydrophobicContact CB-CH2 4.2Å; A179-W217 HydrophobicContact CB-CZ3 3.95Å; A179-S220 VanDerWaalsContact CA-OG 3.31Å; A179-S220 WeakPolarHBondContact CA-OG 3.31Å; A179-S220 PolarHBondContact N-OG 3.06Å
180S89.6Confident85.4Confident9 Ų913.1 Ų13.16%0.0637%0.074CC..Hα-helixtrans-63.2-42.1174.6-72.30000111.7L136 A139 D140 T176 M177 T183 L184L136-S180 WeakPolarHBondContact CD1-OG 3.38Å; A139-S180 WeakPolarHBondContact CB-OG 3.14Å; D140-S180 PolarHBondContact OD1-OG 2.74Å; T176-S180 PolarHBondContact O-N 2.92Å; T176-S180 PolarHBondContact O-OG 2.94Å; M177-S180 PolarHBondContact O-N 2.87Å; S180-T183 PolarHBondContact O-N 3.3Å; S180-L184 WeakPolarHBondContact O-CB 3.46Å; S180-L184 PolarHBondContact O-N 3.41Å
181I87.9Confident85.6Confident4 Ų415 Ų152%0.0218%0.08CC..Hα-helixtrans-60.8-52.4177.9-67.8170.7000112.1M177 H178 L184 T185 S267 P271 F318M177-I181 HydrophobicContact CE-CD1 4.35Å; M177-I181 HydrophobicContact CG-CD1 4.01Å; M177-I181 VanDerWaalsContact O-CG1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.28Å; M177-I181 PolarHBondContact O-N 3.45Å; M177-I181 VanDerWaalsContact O-N 3.1Å; H178-I181 PolarHBondContact O-N 3.49Å; I181-L184 PolarHBondContact O-N 2.84Å; I181-T185 PolarHBondContact O-N 3.45Å; I181-T185 PolarHBondContact O-OG1 3.11Å; I181-S267 WeakPolarHBondContact CG2-O 3.49Å; I181-P271 HydrophobicContact CG2-CB 4.06Å; I181-P271 HydrophobicContact CG2-CG 3.69Å; I181-F318 HydrophobicContact CB-CZ 4.46Å; I181-F318 HydrophobicContact CD1-CE2 3.78Å; I181-F318 HydrophobicContact CD1-CZ 3.67Å; I181-F318 HydrophobicContact CG1-CD2 4.39Å; I181-F318 HydrophobicContact CG1-CE2 3.37Å; I181-F318 HydrophobicContact CG1-CZ 3.51Å; I181-F318 HydrophobicContact CG2-CZ 4.24Å
182F91.4Very high85.3Confident20 Ų2016.5 Ų16.59%0.0888%0.084CC..Hα-helixtrans-71.6-33.2-178.1-57.7-36.2000111.5H178 T185 V186 V216 L219 S220 L223 T266 P271H178-F182 HydrophobicContact CB-CD2 4.49Å; H178-F182 HydrophobicContact CB-CE2 4.04Å; H178-F182 VanDerWaalsContact O-CD2 3.28Å; H178-F182 WeakPolarHBondContact O-CD2 3.48Å; H178-F182 WeakPolarHBondContact O-CG 3.39Å; H178-F182 PolarHBondContact O-N 3.19Å; F182-T185 PolarHBondContact O-N 3.41Å; F182-V186 WeakPolarHBondContact O-CG2 3.42Å; F182-V186 PolarHBondContact O-N 3.02Å; F182-V216 HydrophobicContact CB-CB 4.32Å; F182-V216 HydrophobicContact CB-CG1 3.8Å; F182-V216 HydrophobicContact CB-CG2 3.85Å; F182-L219 HydrophobicContact CD2-CB 4.48Å; F182-L219 HydrophobicContact CD2-CD2 3.94Å; F182-L219 HydrophobicContact CD2-CG 4.18Å; F182-L219 HydrophobicContact CE1-CD2 4.48Å; F182-L219 HydrophobicContact CE2-CB 4.38Å; F182-L219 HydrophobicContact CE2-CD2 3.74Å; F182-L219 HydrophobicContact CE2-CG 3.73Å; F182-L219 HydrophobicContact CG-CD2 4.42Å; F182-L219 HydrophobicContact CZ-CD2 4.04Å; F182-L219 HydrophobicContact CZ-CG 4.29Å; F182-S220 WeakPolarHBondContact CD2-OG 3.49Å; F182-L223 HydrophobicContact CE2-CD1 3.8Å; F182-L223 HydrophobicContact CZ-CD1 3.57Å; F182-T266 WeakPolarHBondContact CE1-O 3.06Å; F182-P271 HydrophobicContact CD1-CG 4.43Å; F182-P271 HydrophobicContact CE1-CG 4.24Å
183T89.9Confident85.1Confident7 Ų716.3 Ų16.34%0.0438%0.083CC..Hα-helixtrans-63.2-41172.3-58.10000111.7S132 N135 L136 A179 S180 T185 V186 M187S132-T183 WeakPolarHBondContact O-CG2 3.4Å; N135-T183 HydrophobicContact CB-CG2 4.29Å; L136-T183 HydrophobicContact CB-CG2 3.85Å; A179-T183 WeakPolarHBondContact O-CB 3.39Å; A179-T183 PolarHBondContact O-N 3.35Å; A179-T183 PolarHBondContact O-OG1 3.27Å; S180-T183 PolarHBondContact O-N 3.3Å; T183-T185 VanDerWaalsContact C-N 3.34Å; T183-V186 PolarHBondContact O-N 3Å; T183-M187 WeakPolarHBondContact O-CB 3.46Å; T183-M187 PolarHBondContact O-N 2.95Å
184L85.6Confident84.8Confident8 Ų817.4 Ų17.44%0.0429%0.094CC..Hα-helixtrans-63.4-39.5173.4-177.560.8000111.7S180 I181 M187 C188 I314 F318S180-L184 WeakPolarHBondContact O-CB 3.46Å; S180-L184 PolarHBondContact O-N 3.41Å; I181-L184 PolarHBondContact O-N 2.84Å; L184-M187 HydrophobicContact CD1-SD 4.19Å; L184-M187 WeakPolarHBondContact O-CB 3.38Å; L184-M187 PolarHBondContact O-N 3.34Å; L184-C188 PolarHBondContact O-N 3.42Å; L184-C188 PolarHBondContact O-SG 2.93Å; L184-I314 HydrophobicContact CD1-CB 4.06Å; L184-I314 HydrophobicContact CD1-CD1 4.49Å; L184-I314 HydrophobicContact CD1-CG2 3.69Å; L184-I314 HydrophobicContact CD2-CG2 3.98Å; L184-F318 HydrophobicContact CD2-CB 4.05Å; L184-F318 HydrophobicContact CD2-CG 4.28Å
185T88.3Confident84.2Confident14 Ų1418.3 Ų18.39%0.08610%0.101CC..Hα-helixtrans-66.2-43.4177.2-52.70000112.1I181 F182 T183 C188 T189 I274 I275I181-T185 PolarHBondContact O-N 3.45Å; I181-T185 PolarHBondContact O-OG1 3.11Å; F182-T185 PolarHBondContact O-N 3.41Å; T183-T185 VanDerWaalsContact C-N 3.34Å; T185-C188 PolarHBondContact O-N 3.18Å; T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 2.75Å; T185-I274 HydrophobicContact CG2-CB 4.4Å; T185-I274 HydrophobicContact CG2-CD1 4.38Å; T185-I274 HydrophobicContact CG2-CG2 3.96Å; T185-I275 HydrophobicContact CG2-CD1 4.48Å; T185-I275 HydrophobicContact CG2-CG1 4.36Å
186V88.6Confident83.4Confident30 Ų3019.3 Ų19.318%0.18211%0.107CC..Hα-helixtrans-61-45.1172.5167.80000110.5F182 T183 C188 T189 E190 L212 V216F182-V186 WeakPolarHBondContact O-CG2 3.42Å; F182-V186 PolarHBondContact O-N 3.02Å; T183-V186 PolarHBondContact O-N 3Å; V186-C188 PolarHBondContact O-N 3.43Å; V186-T189 PolarHBondContact O-N 3.18Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CG 3.35Å; V186-E190 PolarHBondContact O-N 3.12Å; V186-L212 HydrophobicContact CG1-CB 4.49Å; V186-L212 HydrophobicContact CG1-CD1 3.96Å; V186-V216 HydrophobicContact CG2-CG2 3.89Å
187M83.3Confident82.5Confident1 Ų124.8 Ų24.81%0.00513%0.131CC..Hα-helixtrans-55-49.5174167.3179.4-170.800112M129 T183 L184 T189 E190 R191 M310 I311 I314 Y368M129-M187 HydrophobicContact CE-CB 3.82Å; M129-M187 HydrophobicContact CE-CE 3.67Å; M129-M187 HydrophobicContact CE-CG 3.38Å; M129-M187 HydrophobicContact CE-SD 3.3Å; M129-M187 WeakPolarHBondContact CE-SD 3.3Å; M129-M187 HydrophobicContact SD-CE 3.63Å; M129-M187 HydrophobicContact SD-CG 3.7Å; M129-M187 HydrophobicContact SD-SD 4Å; T183-M187 WeakPolarHBondContact O-CB 3.46Å; T183-M187 PolarHBondContact O-N 2.95Å; L184-M187 HydrophobicContact CD1-SD 4.19Å; L184-M187 WeakPolarHBondContact O-CB 3.38Å; L184-M187 PolarHBondContact O-N 3.34Å; M187-T189 VanDerWaalsContact C-N 3.28Å; M187-T189 PolarHBondContact O-N 2.94Å; M187-E190 PolarHBondContact O-N 3.17Å; M187-R191 HydrophobicContact CG-CG 4.47Å; M187-R191 WeakPolarHBondContact O-CB 3.27Å; M187-R191 WeakPolarHBondContact O-CG 3.48Å; M187-R191 PolarHBondContact O-N 2.94Å; M187-R191 VanDerWaalsContact O-N 3.11Å; M187-M310 HydrophobicContact CE-CE 4.05Å; M187-I311 HydrophobicContact CE-CD1 4.17Å; M187-I311 HydrophobicContact CE-CG1 3.67Å; M187-I314 HydrophobicContact CE-CD1 4.34Å; M187-Y368 HydrophobicContact CE-CE1 3.6Å; M187-Y368 HydrophobicContact SD-CE1 3.79Å; M187-Y368 PolarHBondContact SD-OH 2.96Å
188C80.6Confident81.7Confident7 Ų727.6 Ų27.65%0.04715%0.15CC..Hα-helixtrans-57.1-45177.7-65.30000110.9L184 T185 V186 R191 Y192 I275 I311L184-C188 PolarHBondContact O-N 3.42Å; L184-C188 PolarHBondContact O-SG 2.93Å; T185-C188 PolarHBondContact O-N 3.18Å; V186-C188 PolarHBondContact O-N 3.43Å; C188-R191 PolarHBondContact O-N 2.78Å; C188-Y192 PolarHBondContact O-N 3.04Å; C188-I275 HydrophobicContact CB-CG1 4.12Å; C188-I311 HydrophobicContact CB-CG2 4.26Å; C188-I311 WeakPolarHBondContact SG-CG2 3.48Å
189T83.3Confident80.4Confident45 Ų4533.7 Ų33.728%0.27618%0.182SC..Hα-helixtrans-66-47.3-178.8-53.70000112.4T185 V186 M187 R191 Y192 L193T185-T189 PolarHBondContact O-N 3.4Å; T185-T189 PolarHBondContact O-OG1 2.75Å; V186-T189 PolarHBondContact O-N 3.18Å; M187-T189 VanDerWaalsContact C-N 3.28Å; M187-T189 PolarHBondContact O-N 2.94Å; T189-R191 PolarHBondContact O-N 2.91Å; T189-Y192 PolarHBondContact O-N 3.34Å; T189-L193 HydrophobicContact CG2-CD1 4.11Å; T189-L193 WeakPolarHBondContact O-CB 3.26Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; T189-L193 PolarHBondContact O-N 2.91Å
190E80.8Confident79.1Confident17 Ų1737.9 Ų37.98%0.07921%0.205CC..Hα-helixtrans-58.2-34.7175.2-73-162.7112.700111.8S132 V186 M187 A194 R209S132-E190 PolarHBondContact OG-OE2 2.77Å; V186-E190 HydrophobicContact CG1-CG 4.31Å; V186-E190 WeakPolarHBondContact O-CG 3.35Å; V186-E190 PolarHBondContact O-N 3.12Å; M187-E190 PolarHBondContact O-N 3.17Å; E190-A194 WeakPolarHBondContact O-CB 3.47Å; E190-A194 PolarHBondContact O-N 3.34Å; E190-R209 VanDerWaalsContact OE1-CD 3.24Å; E190-R209 WeakPolarHBondContact OE1-CD 3.4Å; E190-R209 WeakPolarHBondContact OE1-CG 3.44Å; E190-R209 IonicContact OE1-NE 2.59Å; E190-R209 PolarHBondContact OE1-NE 2.94Å
191R77.7Confident77.8Confident44 Ų4438.4 Ų38.417%0.16621%0.207CC..Hα-helixtrans-79.6-39.7-177-67.4-75.3-174.8-1735.9112.5M129 M187 C188 T189 L193 A194 V195 I311M129-R191 VanDerWaalsContact CB-NH2 3.27Å; M129-R191 PolarHBondContact SD-NE 2.88Å; M129-R191 VanDerWaalsContact SD-NE 3.36Å; M129-R191 PolarHBondContact SD-NH2 3.32Å; M187-R191 HydrophobicContact CG-CG 4.47Å; M187-R191 WeakPolarHBondContact O-CB 3.27Å; M187-R191 WeakPolarHBondContact O-CG 3.48Å; M187-R191 PolarHBondContact O-N 2.94Å; M187-R191 VanDerWaalsContact O-N 3.11Å; C188-R191 PolarHBondContact O-N 2.78Å; T189-R191 PolarHBondContact O-N 2.91Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-A194 PolarHBondContact O-N 3.25Å; R191-V195 WeakPolarHBondContact O-CG2 3.5Å; R191-V195 PolarHBondContact O-N 2.87Å; R191-I311 HydrophobicContact CB-CD1 3.5Å; R191-I311 VanDerWaalsContact CB-CD1 3.5Å; R191-I311 HydrophobicContact CG-CD1 3.48Å; R191-I311 VanDerWaalsContact CG-CD1 3.48Å
192Y76.9Confident76.6Confident42 Ų4244 Ų4417%0.16524%0.241CC..Hα-helixtrans-56.3-48.4167.7170.6-96.7000111.3C188 T189 A194 V195 T196 L278 K281 L282C188-Y192 PolarHBondContact O-N 3.04Å; T189-Y192 PolarHBondContact O-N 3.34Å; Y192-A194 PolarHBondContact O-N 3.03Å; Y192-V195 PolarHBondContact O-N 2.89Å; Y192-T196 HydrophobicContact CD2-CG2 4.14Å; Y192-T196 HydrophobicContact CE1-CG2 4.28Å; Y192-T196 HydrophobicContact CE2-CG2 3.67Å; Y192-T196 PolarHBondContact O-N 3.3Å; Y192-T196 PolarHBondContact O-OG1 2.92Å; Y192-L278 HydrophobicContact CD1-CD2 3.5Å; Y192-L278 HydrophobicContact CD2-CB 4.28Å; Y192-L278 HydrophobicContact CD2-CD2 4.1Å; Y192-L278 WeakPolarHBondContact CD2-O 3.43Å; Y192-L278 HydrophobicContact CE1-CD2 3.93Å; Y192-L278 HydrophobicContact CE2-CD2 4.47Å; Y192-L278 HydrophobicContact CG-CB 4.35Å; Y192-L278 HydrophobicContact CG-CD2 3.59Å; Y192-L278 HydrophobicContact CG-CG 4.5Å; Y192-K281 HydrophobicContact CE2-CB 3.89Å; Y192-L282 HydrophobicContact CD2-CB 4.11Å; Y192-L282 HydrophobicContact CE2-CB 4.24Å
193L77.7Confident75Confident32 Ų3253.4 Ų53.417%0.16828%0.276CS..Hα-helixtrans-65.1-39.5179.8-68.3170.9000112T189 R191 V195 T196 K197 T201 R204T189-L193 HydrophobicContact CG2-CD1 4.11Å; T189-L193 WeakPolarHBondContact O-CB 3.26Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; T189-L193 PolarHBondContact O-N 2.91Å; R191-L193 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.16Å; L193-T196 PolarHBondContact O-N 3.05Å; L193-K197 CarbonylContact O-C 3.6Å; L193-K197 VanDerWaalsContact O-C 3.28Å; L193-K197 WeakPolarHBondContact O-CA 3.24Å; L193-K197 PolarHBondContact O-N 3.47Å; L193-T201 VanDerWaalsContact C-CG2 3.42Å; L193-T201 HydrophobicContact CB-CG2 3.66Å; L193-R204 VanDerWaalsContact CD1-NH1 3.3Å
194A75.3Confident74.2Confident33 Ų3356.5 Ų56.527%0.27329%0.287SS..Hα-helixtrans-67.6-17.9177.700000113.6E190 R191 Y192 T201E190-A194 WeakPolarHBondContact O-CB 3.47Å; E190-A194 PolarHBondContact O-N 3.34Å; R191-A194 PolarHBondContact O-N 3.25Å; Y192-A194 PolarHBondContact O-N 3.03Å; A194-T201 HydrophobicContact CB-CG2 4.28Å
195V71.4Confident73.8Confident41 Ų4159.1 Ų59.125%0.24831%0.306CS..Hα-helixtrans-91-44.8175.3175.20000111.4R191 Y192 L193 L282 K304 L308R191-V195 WeakPolarHBondContact O-CG2 3.5Å; R191-V195 PolarHBondContact O-N 2.87Å; Y192-V195 PolarHBondContact O-N 2.89Å; L193-V195 PolarHBondContact O-N 3.16Å; V195-L282 HydrophobicContact CB-CD1 4.4Å; V195-L282 HydrophobicContact CG1-CD1 3.83Å; V195-K304 HydrophobicContact CG2-CB 4.25Å; V195-K304 HydrophobicContact CG2-CD 4.33Å; V195-K304 HydrophobicContact CG2-CG 4.49Å; V195-L308 HydrophobicContact CG1-CD1 4.38Å; V195-L308 HydrophobicContact CG2-CD1 4.11Å; V195-L308 HydrophobicContact CG2-CD2 4.31Å; V195-L308 HydrophobicContact CG2-CG 4.42Å
196T69.8Low73.4Confident45 Ų4565.3 Ų65.328%0.27633%0.332SS..Hα-helixtrans-85.4-36.3-175.153.10000114.2Y192 L193Y192-T196 HydrophobicContact CD2-CG2 4.14Å; Y192-T196 HydrophobicContact CE1-CG2 4.28Å; Y192-T196 HydrophobicContact CE2-CG2 3.67Å; Y192-T196 PolarHBondContact O-N 3.3Å; Y192-T196 PolarHBondContact O-OG1 2.92Å; L193-T196 PolarHBondContact O-N 3.05Å
197K70.4Confident73.1Confident115 Ų11567.9 Ų67.950%0.535%0.351SS..  trans-129.568.9-178-61.1-157.9-179.7-168.70111.2L193 L199 D200 T201L193-K197 CarbonylContact O-C 3.6Å; L193-K197 VanDerWaalsContact O-C 3.28Å; L193-K197 WeakPolarHBondContact O-CA 3.24Å; L193-K197 PolarHBondContact O-N 3.47Å; K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 2.9Å; K197-D200 HydrophobicContact CB-CB 4.17Å; K197-D200 WeakPolarHBondContact CD-OD2 3.34Å; K197-D200 IonicContact NZ-OD2 3.86Å; K197-D200 PolarHBondContact O-N 3.38Å; K197-T201 PolarHBondContact O-N 3.39Å
198P67.9Low73.3Confident65 Ų6572 Ų7242%0.42237%0.367SS..Hα-helixtrans-59.4-39-173.223.3-33.7000112.9T201 V202P198-T201 PolarHBondContact O-N 2.95Å; P198-T201 PolarHBondContact O-OG1 3.1Å; P198-V202 WeakPolarHBondContact O-CG2 3.25Å; P198-V202 PolarHBondContact O-N 3.09Å
199L61Low73.5Confident128 Ų12872.8 Ų72.867%0.6737%0.369SS*.Hα-helixtrans-62.5-58179.6-62.9175.7000111.2K197 T201 V202 W203K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 2.9Å; L199-T201 PolarHBondContact O-N 3.47Å; L199-T201 VanDerWaalsContact O-N 3.08Å; L199-V202 WeakPolarHBondContact O-CB 3.21Å; L199-V202 PolarHBondContact O-N 3.03Å; L199-W203 PolarHBondContact O-N 2.91Å
200D63.6Low73.6Confident89 Ų8976.8 Ų76.848%0.47638%0.383SS..Hα-helixtrans-50.8-37.7178.5-60.14.8000112.9K197 V202 W203 R204K197-D200 HydrophobicContact CB-CB 4.17Å; K197-D200 WeakPolarHBondContact CD-OD2 3.34Å; K197-D200 IonicContact NZ-OD2 3.86Å; K197-D200 PolarHBondContact O-N 3.38Å; D200-V202 VanDerWaalsContact C-N 3.35Å; D200-V202 PolarHBondContact O-N 3.04Å; D200-W203 PolarHBondContact O-N 2.9Å; D200-R204 PolarHBondContact O-N 3.4Å
201T62.4Low74.1Confident19 Ų1979 Ų7912%0.11740%0.404CS..Hα-helixtrans-73.1-22.1179.561.10000115.1L193 A194 K197 P198 L199L193-T201 VanDerWaalsContact C-CG2 3.42Å; L193-T201 HydrophobicContact CB-CG2 3.66Å; A194-T201 HydrophobicContact CB-CG2 4.28Å; K197-T201 PolarHBondContact O-N 3.39Å; P198-T201 PolarHBondContact O-N 2.95Å; P198-T201 PolarHBondContact O-OG1 3.1Å; L199-T201 PolarHBondContact O-N 3.47Å; L199-T201 VanDerWaalsContact O-N 3.08Å
202V61.9Low74.7Confident121 Ų12179.2 Ų79.273%0.73341%0.408SS*.Hα-helixtrans-74.1-37.5172.11730000110.5P198 L199 D200 R204P198-V202 WeakPolarHBondContact O-CG2 3.25Å; P198-V202 PolarHBondContact O-N 3.09Å; L199-V202 WeakPolarHBondContact O-CB 3.21Å; L199-V202 PolarHBondContact O-N 3.03Å; D200-V202 VanDerWaalsContact C-N 3.35Å; D200-V202 PolarHBondContact O-N 3.04Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.43Å
203W59.1Low75.3Confident218 Ų21878 Ų7883%0.82641%0.407SS*.Hα-helixtrans-73.5-15178.2-66.9101.1000114.3L199 D200 S205L199-W203 PolarHBondContact O-N 2.91Å; D200-W203 PolarHBondContact O-N 2.9Å; W203-S205 PolarHBondContact O-N 3.31Å; W203-S205 VanDerWaalsContact O-N 3.16Å
204R73.1Confident76Confident72 Ų7285.7 Ų85.727%0.27243%0.434SS..  trans-65.7114177.5-81.8-177.8172-165.3-4.9112.2L193 D200 V202 Y208 R209L193-R204 VanDerWaalsContact CD1-NH1 3.3Å; D200-R204 PolarHBondContact O-N 3.4Å; V202-R204 VanDerWaalsContact C-N 3.3Å; V202-R204 PolarHBondContact O-N 3.43Å; R204-Y208 HydrophobicContact CB-CD1 4.35Å; R204-Y208 HydrophobicContact CG-CD1 4.21Å; R204-Y208 HydrophobicContact CG-CE1 4.42Å; R204-Y208 VanDerWaalsContact CZ-OH 3.3Å; R204-Y208 PolarHBondContact NH1-OH 2.92Å; R204-Y208 PolarHBondContact NH2-OH 2.94Å; R204-R209 PolarHBondContact O-NH2 3.38Å; R204-R209 VanDerWaalsContact O-NH2 3.14Å
205S77.8Confident76.8Confident63 Ų6386 Ų8644%0.44144%0.44SS..  trans-65.1159.1-178.6760000113.6W203 S207 Y208W203-S205 PolarHBondContact O-N 3.31Å; W203-S205 VanDerWaalsContact O-N 3.16Å; S205-S207 PolarHBondContact O-N 2.89Å; S205-S207 PolarHBondContact OG-N 3.3Å; S205-Y208 PolarHBondContact O-N 2.79Å; S205-Y208 PolarHBondContact OG-N 3.41Å
206K78.5Confident77.9Confident144 Ų14484.6 Ų84.663%0.62643%0.432SS*.Hα-helixtrans-60.8-32.1171.7-66.8177.6-177.9171.80111.8R209 K210K206-R209 PolarHBondContact O-N 2.74Å; K206-K210 WeakPolarHBondContact O-CG 3.19Å; K206-K210 PolarHBondContact O-N 3.48Å; K206-K210 VanDerWaalsContact O-N 3.08Å
207S83.4Confident79.1Confident85 Ų8584.4 Ų84.459%0.59443%0.426SS*.Hα-helixtrans-64.8-40178.1-500000111.9S205 R209 K210 A211S205-S207 PolarHBondContact O-N 2.89Å; S205-S207 PolarHBondContact OG-N 3.3Å; S207-R209 PolarHBondContact O-N 3.48Å; S207-K210 PolarHBondContact O-N 3.26Å; S207-A211 WeakPolarHBondContact O-CB 3.4Å; S207-A211 PolarHBondContact O-N 3.41Å
208Y86Confident80.3Confident86 Ų8684.2 Ų84.234%0.33743%0.43SS..Hα-helixtrans-59.1-46.1174.4172.7-95000112.2R204 S205 K210 A211 L212R204-Y208 HydrophobicContact CB-CD1 4.35Å; R204-Y208 HydrophobicContact CG-CD1 4.21Å; R204-Y208 HydrophobicContact CG-CE1 4.42Å; R204-Y208 VanDerWaalsContact CZ-OH 3.3Å; R204-Y208 PolarHBondContact NH1-OH 2.92Å; R204-Y208 PolarHBondContact NH2-OH 2.94Å; S205-Y208 PolarHBondContact O-N 2.79Å; S205-Y208 PolarHBondContact OG-N 3.41Å; Y208-K210 PolarHBondContact O-N 2.95Å; Y208-A211 PolarHBondContact O-N 3.23Å; Y208-L212 HydrophobicContact CD1-CD1 4.13Å; Y208-L212 HydrophobicContact CD1-CG 4.47Å; Y208-L212 HydrophobicContact CE1-CD1 3.38Å; Y208-L212 HydrophobicContact CE1-CG 3.98Å; Y208-L212 HydrophobicContact CE2-CG 4.43Å; Y208-L212 PolarHBondContact O-N 2.86Å
209R85Confident81.5Confident25 Ų2585.1 Ų85.19%0.09443%0.431CS..Hα-helixtrans-67.5-34178.5-62.4-170.7-164.9116.626.5112.8S128 I131 E190 R204 K206 S207 A213S128-R209 WeakPolarHBondContact O-CD 3.28Å; S128-R209 PolarHBondContact O-NE 2.77Å; S128-R209 PolarHBondContact O-NH1 2.93Å; S128-R209 PolarHBondContact OG-NH1 3.25Å; S128-R209 PolarHBondContact OG-NH2 3.26Å; S128-R209 VanDerWaalsContact OG-NH2 3.15Å; I131-R209 HydrophobicContact CD1-CB 3.8Å; E190-R209 VanDerWaalsContact OE1-CD 3.24Å; E190-R209 WeakPolarHBondContact OE1-CD 3.4Å; E190-R209 WeakPolarHBondContact OE1-CG 3.44Å; E190-R209 IonicContact OE1-NE 2.59Å; E190-R209 PolarHBondContact OE1-NE 2.94Å; R204-R209 PolarHBondContact O-NH2 3.38Å; R204-R209 VanDerWaalsContact O-NH2 3.14Å; K206-R209 PolarHBondContact O-N 2.74Å; S207-R209 PolarHBondContact O-N 3.48Å; R209-A213 PolarHBondContact O-N 3.31Å; R209-A213 VanDerWaalsContact O-N 3.1Å
210K86.6Confident83.1Confident128 Ų12879 Ų7956%0.55740%0.399SS*.Hα-helixtrans-64.9-43.3170.4-72.7-178176.5-171.50111.7K206 S207 Y208 A213 W214K206-K210 WeakPolarHBondContact O-CG 3.19Å; K206-K210 PolarHBondContact O-N 3.48Å; K206-K210 VanDerWaalsContact O-N 3.08Å; S207-K210 PolarHBondContact O-N 3.26Å; Y208-K210 PolarHBondContact O-N 2.95Å; K210-A213 PolarHBondContact O-N 3.38Å; K210-W214 VanDerWaalsContact O-CD1 3.23Å; K210-W214 PolarHBondContact O-N 2.96Å
211A89.8Confident84.5Confident63 Ų6378.4 Ų78.452%0.52140%0.395SS..Hα-helixtrans-63.5-40.2177.700000111.9S207 Y208 W214 G215S207-A211 WeakPolarHBondContact O-CB 3.4Å; S207-A211 PolarHBondContact O-N 3.41Å; Y208-A211 PolarHBondContact O-N 3.23Å; A211-W214 PolarHBondContact O-N 2.94Å; A211-G215 PolarHBondContact O-N 2.98Å
212L90.1Very high86Confident50 Ų5081.4 Ų81.426%0.26241%0.413SS..Hα-helixtrans-60.3-45.2171.2-73.1-176.9000112.4V186 Y208 G215 V216V186-L212 HydrophobicContact CG1-CB 4.49Å; V186-L212 HydrophobicContact CG1-CD1 3.96Å; Y208-L212 HydrophobicContact CD1-CD1 4.13Å; Y208-L212 HydrophobicContact CD1-CG 4.47Å; Y208-L212 HydrophobicContact CE1-CD1 3.38Å; Y208-L212 HydrophobicContact CE1-CG 3.98Å; Y208-L212 HydrophobicContact CE2-CG 4.43Å; Y208-L212 PolarHBondContact O-N 2.86Å; L212-G215 PolarHBondContact O-N 3.4Å; L212-V216 WeakPolarHBondContact O-CG2 3.38Å; L212-V216 PolarHBondContact O-N 2.96Å
213A89.8Confident87.3Confident17 Ų1776.7 Ų76.714%0.1438%0.384CS..Hα-helixtrans-60.8-47.7177.200000111.6I131 R209 K210 G215 V216 W217I131-A213 HydrophobicContact CG2-CB 4.42Å; R209-A213 PolarHBondContact O-N 3.31Å; R209-A213 VanDerWaalsContact O-N 3.1Å; K210-A213 PolarHBondContact O-N 3.38Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.17Å; A213-V216 WeakPolarHBondContact O-CB 3.47Å; A213-V216 PolarHBondContact O-N 3.43Å; A213-W217 PolarHBondContact O-N 2.95Å
214W92.3Very high88.7Confident193 Ų19366.5 Ų66.573%0.73135%0.346SS*.Hα-helixtrans-60.2-40.4174.4-78.3118.5000112.9K210 A211 V216 W217 L218K210-W214 VanDerWaalsContact O-CD1 3.23Å; K210-W214 PolarHBondContact O-N 2.96Å; A211-W214 PolarHBondContact O-N 2.94Å; W214-V216 VanDerWaalsContact C-N 3.34Å; W214-V216 PolarHBondContact O-N 3.43Å; W214-W217 PolarHBondContact O-N 3.49Å; W214-L218 VanDerWaalsContact O-CB 3.31Å; W214-L218 WeakPolarHBondContact O-CB 3.36Å; W214-L218 PolarHBondContact O-N 3.2Å
215G93.9Very high89.4Confident39 Ų3967.7 Ų67.740%0.40236%0.357SS..Hα-helixtrans-62.6-37.6174.800000113.1A211 L212 A213 L219A211-G215 PolarHBondContact O-N 2.98Å; L212-G215 PolarHBondContact O-N 3.4Å; A213-G215 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 3.17Å; G215-L219 VanDerWaalsContact O-CB 3.24Å; G215-L219 WeakPolarHBondContact O-CB 3.28Å; G215-L219 PolarHBondContact O-N 3.21Å
216V94.1Very high89.7Confident11 Ų1166.9 Ų66.97%0.06735%0.35CS..Hα-helixtrans-61.5-54.1171.9163.20000110.8A179 F182 V186 L212 A213 W214 L218 L219 S220A179-V216 HydrophobicContact CB-CG1 4.44Å; F182-V216 HydrophobicContact CB-CB 4.32Å; F182-V216 HydrophobicContact CB-CG1 3.8Å; F182-V216 HydrophobicContact CB-CG2 3.85Å; V186-V216 HydrophobicContact CG2-CG2 3.89Å; L212-V216 WeakPolarHBondContact O-CG2 3.38Å; L212-V216 PolarHBondContact O-N 2.96Å; A213-V216 WeakPolarHBondContact O-CB 3.47Å; A213-V216 PolarHBondContact O-N 3.43Å; W214-V216 VanDerWaalsContact C-N 3.34Å; W214-V216 PolarHBondContact O-N 3.43Å; V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 PolarHBondContact O-N 3.13Å; V216-L219 PolarHBondContact O-N 3.35Å; V216-S220 WeakPolarHBondContact O-CB 3.3Å; V216-S220 PolarHBondContact O-N 3.3Å; V216-S220 PolarHBondContact O-OG 2.92Å; V216-S220 VanDerWaalsContact O-OG 3.07Å
217W94.7Very high89.7Confident42 Ų4260.7 Ų60.716%0.15932%0.324CS..Hα-helixtrans-59.9-41.9179.9-73.6106.3000112.3N135 A139 L142 L175 A179 A213 W214 S220 L221N135-W217 PolarHBondContact OD1-NE1 2.92Å; A139-W217 HydrophobicContact CB-CH2 3.98Å; A139-W217 HydrophobicContact CB-CZ2 4.28Å; L142-W217 HydrophobicContact CD1-CH2 4.05Å; L175-W217 HydrophobicContact CD1-CE3 4.47Å; A179-W217 HydrophobicContact CB-CD2 4.45Å; A179-W217 HydrophobicContact CB-CE3 4.08Å; A179-W217 HydrophobicContact CB-CH2 4.2Å; A179-W217 HydrophobicContact CB-CZ3 3.95Å; A213-W217 PolarHBondContact O-N 2.95Å; W214-W217 PolarHBondContact O-N 3.49Å; W217-S220 PolarHBondContact O-N 2.93Å; W217-L221 WeakPolarHBondContact O-CB 3.18Å; W217-L221 VanDerWaalsContact O-CG 3.3Å; W217-L221 WeakPolarHBondContact O-CG 3.06Å; W217-L221 PolarHBondContact O-N 3.45Å
218L95.3Very high89.6Confident110 Ų11058.4 Ų58.458%0.57631%0.306SS*.Hα-helixtrans-65.8-43.3177.7-176.962.5000112.2W214 V216 L221 V222W214-L218 VanDerWaalsContact O-CB 3.31Å; W214-L218 WeakPolarHBondContact O-CB 3.36Å; W214-L218 PolarHBondContact O-N 3.2Å; V216-L218 VanDerWaalsContact C-N 3.32Å; V216-L218 PolarHBondContact O-N 3.13Å; L218-L221 PolarHBondContact O-N 3.34Å; L218-V222 WeakPolarHBondContact O-CG2 3.3Å; L218-V222 PolarHBondContact O-N 2.9Å
219L94.2Very high89.5Confident85 Ų8559 Ų5945%0.44532%0.319SS..Hα-helixtrans-64.1-43.3176.9-18061.5000111.4F182 G215 V216 V222 L223F182-L219 HydrophobicContact CD2-CB 4.48Å; F182-L219 HydrophobicContact CD2-CD2 3.94Å; F182-L219 HydrophobicContact CD2-CG 4.18Å; F182-L219 HydrophobicContact CE1-CD2 4.48Å; F182-L219 HydrophobicContact CE2-CB 4.38Å; F182-L219 HydrophobicContact CE2-CD2 3.74Å; F182-L219 HydrophobicContact CE2-CG 3.73Å; F182-L219 HydrophobicContact CG-CD2 4.42Å; F182-L219 HydrophobicContact CZ-CD2 4.04Å; F182-L219 HydrophobicContact CZ-CG 4.29Å; G215-L219 VanDerWaalsContact O-CB 3.24Å; G215-L219 WeakPolarHBondContact O-CB 3.28Å; G215-L219 PolarHBondContact O-N 3.21Å; V216-L219 PolarHBondContact O-N 3.35Å; L219-V222 PolarHBondContact O-N 3.23Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 2.96Å
220S94.1Very high89.1Confident0 Ų060.9 Ų60.90%033%0.329CS..Hα-helixtrans-61.5-44174.6-600000111.6H178 A179 F182 V216 W217 L223 T224H178-S220 WeakPolarHBondContact CB-OG 3.2Å; A179-S220 VanDerWaalsContact CA-OG 3.31Å; A179-S220 WeakPolarHBondContact CA-OG 3.31Å; A179-S220 PolarHBondContact N-OG 3.06Å; F182-S220 WeakPolarHBondContact CD2-OG 3.49Å; V216-S220 WeakPolarHBondContact O-CB 3.3Å; V216-S220 PolarHBondContact O-N 3.3Å; V216-S220 PolarHBondContact O-OG 2.92Å; V216-S220 VanDerWaalsContact O-OG 3.07Å; W217-S220 PolarHBondContact O-N 2.93Å; S220-L223 PolarHBondContact O-N 2.9Å; S220-T224 WeakPolarHBondContact O-CG2 3.29Å; S220-T224 PolarHBondContact O-N 3.25Å; S220-T224 PolarHBondContact O-OG1 3.04Å
221L92.7Very high88.5Confident76 Ų7654.8 Ų54.840%0.39830%0.302SS..Hα-helixtrans-56.7-52.5174-78.4167.3000111.2L175 W217 L218 L223 T224 L225L175-L221 HydrophobicContact CD1-CB 4.41Å; L175-L221 HydrophobicContact CD1-CD2 3.79Å; L175-L221 HydrophobicContact CD1-CG 3.75Å; L175-L221 HydrophobicContact CD2-CD2 3.81Å; L175-L221 HydrophobicContact CG-CD2 4.45Å; W217-L221 WeakPolarHBondContact O-CB 3.18Å; W217-L221 VanDerWaalsContact O-CG 3.3Å; W217-L221 WeakPolarHBondContact O-CG 3.06Å; W217-L221 PolarHBondContact O-N 3.45Å; L218-L221 PolarHBondContact O-N 3.34Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.37Å; L221-T224 WeakPolarHBondContact CA-OG1 3.3Å; L221-T224 PolarHBondContact O-N 3.17Å; L221-T224 PolarHBondContact O-OG1 3.48Å; L221-L225 WeakPolarHBondContact O-CG 3.42Å; L221-L225 PolarHBondContact O-N 3.45Å
222V93.9Very high87.6Confident82 Ų8253.3 Ų53.350%0.49729%0.287SS..Hα-helixtrans-55.1-40.3179.2168.20000112.2L218 L219L218-V222 WeakPolarHBondContact O-CG2 3.3Å; L218-V222 PolarHBondContact O-N 2.9Å; L219-V222 PolarHBondContact O-N 3.23Å
223L89.3Confident86.7Confident22 Ų2253.2 Ų53.212%0.11529%0.285CS..Hα-helixtrans-68.9-32.2175.7-69.2177.8000113.1F182 L219 S220 L221 Y259 L263 T266F182-L223 HydrophobicContact CE2-CD1 3.8Å; F182-L223 HydrophobicContact CZ-CD1 3.57Å; L219-L223 WeakPolarHBondContact O-CG 3.39Å; L219-L223 PolarHBondContact O-N 2.96Å; S220-L223 PolarHBondContact O-N 2.9Å; L221-L223 VanDerWaalsContact C-N 3.26Å; L221-L223 PolarHBondContact O-N 3.37Å; L223-Y259 PolarHBondContact O-OH 3.2Å; L223-L263 HydrophobicContact CB-CD2 4.06Å; L223-L263 HydrophobicContact CD2-CD2 4.33Å; L223-T266 HydrophobicContact CD2-CG2 4.31Å
224T87.6Confident85.6Confident4 Ų454.4 Ų54.43%0.02529%0.291CS..Hα-helixtrans-81.3-28.7178.355.30000115.8L174 L175 S220 L221 P226 M227 T228L174-T224 HydrophobicContact CB-CG2 3.58Å; L175-T224 HydrophobicContact CB-CG2 3.89Å; L175-T224 VanDerWaalsContact N-CG2 3.32Å; S220-T224 WeakPolarHBondContact O-CG2 3.29Å; S220-T224 PolarHBondContact O-N 3.25Å; S220-T224 PolarHBondContact O-OG1 3.04Å; L221-T224 WeakPolarHBondContact CA-OG1 3.3Å; L221-T224 PolarHBondContact O-N 3.17Å; L221-T224 PolarHBondContact O-OG1 3.48Å; T224-P226 VanDerWaalsContact C-CD 3.4Å; T224-P226 VanDerWaalsContact C-N 3.32Å; T224-P226 VanDerWaalsContact O-N 3.16Å; T224-M227 WeakPolarHBondContact O-CA 3.42Å; T224-M227 WeakPolarHBondContact O-CB 3.4Å; T224-M227 PolarHBondContact O-N 3.24Å; T224-T228 PolarHBondContact O-N 2.97Å; T224-T228 VanDerWaalsContact O-N 3.16Å; T224-T228 PolarHBondContact O-OG1 2.82Å
225L87.8Confident84.4Confident96 Ų9649.7 Ų49.750%0.50328%0.284SS..Hα-helixtrans-49.8-42.4-174.2-77.5174.7000114.2L221 M227 T228 V229L221-L225 WeakPolarHBondContact O-CG 3.42Å; L221-L225 PolarHBondContact O-N 3.45Å; L225-M227 VanDerWaalsContact C-N 3.29Å; L225-M227 PolarHBondContact O-N 3.25Å; L225-T228 WeakPolarHBondContact O-CB 3.49Å; L225-T228 PolarHBondContact O-N 2.84Å; L225-V229 WeakPolarHBondContact O-CG2 3.46Å; L225-V229 PolarHBondContact O-N 3.15Å; L225-V229 VanDerWaalsContact O-N 3.12Å
226P85.4Confident82.8Confident46 Ų4650.4 Ų50.430%0.29928%0.275SS..Hα-helixtrans-61.9-34.1177.4-2335.1000113.2T224 M230 W251 Y259T224-P226 VanDerWaalsContact C-CD 3.4Å; T224-P226 VanDerWaalsContact C-N 3.32Å; T224-P226 VanDerWaalsContact O-N 3.16Å; P226-M230 VanDerWaalsContact O-CB 3.25Å; P226-M230 WeakPolarHBondContact O-CB 3.2Å; P226-M230 WeakPolarHBondContact O-CG 3.21Å; P226-M230 PolarHBondContact O-N 2.7Å; P226-W251 HydrophobicContact CB-CH2 3.79Å; P226-W251 HydrophobicContact CB-CZ2 3.68Å; P226-Y259 HydrophobicContact CB-CD2 4.14Å; P226-Y259 HydrophobicContact CB-CE2 3.73Å; P226-Y259 HydrophobicContact CG-CD2 4.47Å; P226-Y259 HydrophobicContact CG-CE2 3.94Å
227M78.9Confident81Confident15 Ų1554.6 Ų54.67%0.07431%0.306CS..Hα-helixtrans-69.4-43.4173.8-163.871.8167.600111.2L170 L174 T224 L225 V229 M230 V231 Y259L170-M227 HydrophobicContact CD2-CE 3.99Å; L174-M227 HydrophobicContact CD1-CB 3.93Å; L174-M227 HydrophobicContact CD1-CG 3.69Å; T224-M227 WeakPolarHBondContact O-CA 3.42Å; T224-M227 WeakPolarHBondContact O-CB 3.4Å; T224-M227 PolarHBondContact O-N 3.24Å; L225-M227 VanDerWaalsContact C-N 3.29Å; L225-M227 PolarHBondContact O-N 3.25Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.35Å; M227-M230 PolarHBondContact O-N 3.25Å; M227-V231 HydrophobicContact CE-CG2 3.66Å; M227-V231 HydrophobicContact CG-CG2 3.76Å; M227-V231 VanDerWaalsContact O-CB 3.3Å; M227-V231 WeakPolarHBondContact O-CB 3.33Å; M227-V231 VanDerWaalsContact O-CG2 3.28Å; M227-V231 WeakPolarHBondContact O-CG2 3.45Å; M227-V231 PolarHBondContact O-N 3.1Å; M227-V231 HydrophobicContact SD-CG2 3.76Å; M227-Y259 HydrophobicContact CB-CE1 4.38Å; M227-Y259 WeakPolarHBondContact CB-OH 3.4Å; M227-Y259 HydrophobicContact SD-CE1 4.19Å
228T80.8Confident79.3Confident37 Ų3754 Ų5423%0.22731%0.309CS..Hα-helixtrans-57.9-41.7-179.4-45.60000113R167 S171 T224 L225R167-T228 HydrophobicContact CB-CG2 4.35Å; R167-T228 WeakPolarHBondContact CG-O 3.39Å; R167-T228 PolarHBondContact NH1-O 3.35Å; R167-T228 VanDerWaalsContact NH1-O 3.11Å; S171-T228 WeakPolarHBondContact CB-OG1 3.46Å; S171-T228 WeakPolarHBondContact OG-CA 3.49Å; S171-T228 VanDerWaalsContact OG-CB 3.28Å; S171-T228 WeakPolarHBondContact OG-CB 3.39Å; S171-T228 WeakPolarHBondContact OG-CG2 3.5Å; S171-T228 PolarHBondContact OG-OG1 3.29Å; T224-T228 PolarHBondContact O-N 2.97Å; T224-T228 VanDerWaalsContact O-N 3.16Å; T224-T228 PolarHBondContact O-OG1 2.82Å; L225-T228 WeakPolarHBondContact O-CB 3.49Å; L225-T228 PolarHBondContact O-N 2.84Å
229V83.8Confident77.4Confident99 Ų9955.6 Ų55.660%0.633%0.326SS*.Hα-helixtrans-75-40.2-178.31750000111.6R167 L225 M227R167-V229 PolarHBondContact NH1-O 3.11Å; L225-V229 WeakPolarHBondContact O-CG2 3.46Å; L225-V229 PolarHBondContact O-N 3.15Å; L225-V229 VanDerWaalsContact O-N 3.12Å; M227-V229 VanDerWaalsContact C-N 3.32Å; M227-V229 PolarHBondContact O-N 3.35Å
230M75.4Confident75.9Confident63 Ų6357.8 Ų57.831%0.3134%0.338SS..Hα-helixtrans-98.5-2.8-167.7-59.3-70.4-67.800114.3P226 M227 P249 T250 W251P226-M230 VanDerWaalsContact O-CB 3.25Å; P226-M230 WeakPolarHBondContact O-CB 3.2Å; P226-M230 WeakPolarHBondContact O-CG 3.21Å; P226-M230 PolarHBondContact O-N 2.7Å; M227-M230 PolarHBondContact O-N 3.25Å; M230-P249 WeakPolarHBondContact O-CA 3.49Å; M230-T250 PolarHBondContact O-N 2.98Å; M230-T250 PolarHBondContact O-OG1 3.35Å; M230-W251 VanDerWaalsContact CB-CD1 3.45Å; M230-W251 HydrophobicContact CB-CD2 4.47Å; M230-W251 HydrophobicContact CB-CG 4.34Å; M230-W251 HydrophobicContact CB-CZ2 4.33Å; M230-W251 HydrophobicContact CE-CD2 4.38Å; M230-W251 HydrophobicContact CE-CG 4.22Å; M230-W251 HydrophobicContact CG-CZ2 4.1Å
231V74.4Confident74.1Confident0 Ų060.6 Ų60.60%037%0.368CS..EExtended strand (participates in β ladder)trans-87.2129.2167.9163.50000109.1C166 R167 L170 M227 C247 A248C166-V231 WeakPolarHBondContact SG-CG1 3.32Å; R167-V231 VanDerWaalsContact CZ-O 3.24Å; R167-V231 PolarHBondContact NH1-O 2.97Å; L170-V231 HydrophobicContact CD2-CG1 4.13Å; L170-V231 HydrophobicContact CD2-CG2 4.09Å; M227-V231 HydrophobicContact CE-CG2 3.66Å; M227-V231 HydrophobicContact CG-CG2 3.76Å; M227-V231 VanDerWaalsContact O-CB 3.3Å; M227-V231 WeakPolarHBondContact O-CB 3.33Å; M227-V231 VanDerWaalsContact O-CG2 3.28Å; M227-V231 WeakPolarHBondContact O-CG2 3.45Å; M227-V231 PolarHBondContact O-N 3.1Å; M227-V231 HydrophobicContact SD-CG2 3.76Å; V231-C247 HydrophobicContact CG1-CB 4.09Å; V231-A248 WeakPolarHBondContact CA-O 3.19Å
232T71.1Confident72.6Confident32 Ų3259.4 Ų59.420%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-131.6158.3173.472.70000111.4D163 C247 A248 T250D163-T232 WeakPolarHBondContact OD1-CA 3.48Å; T232-C247 CarbonylContact O-C 3.54Å; T232-C247 VanDerWaalsContact O-CA 3.23Å; T232-C247 WeakPolarHBondContact O-CA 3.48Å; T232-A248 PolarHBondContact N-O 3.45Å; T232-A248 PolarHBondContact O-N 2.84Å; T232-T250 HydrophobicContact CG2-CG2 3.77Å; T232-T250 WeakPolarHBondContact OG1-CG2 3.36Å
233E72.3Confident71.3Confident48 Ų4859.7 Ų59.722%0.22437%0.371CS..EExtended strand (participates in β ladder)trans-65.8141.6161.9-172.4174-167.300110.1G162 D163 R245G162-E233 WeakPolarHBondContact CA-OE2 3.07Å; D163-E233 HydrophobicContact CB-CB 4.05Å; D163-E233 PolarHBondContact N-OE2 3.33Å; D163-E233 PolarHBondContact OD1-N 2.88Å; E233-R245 WeakPolarHBondContact OE1-CD 3.39Å
234T65.7Low70.2Confident42 Ų4261.9 Ų61.926%0.25838%0.379SS..EExtended strand (participates in β ladder)trans-140.9147.2178.5600000109.5M246 A248T234-M246 WeakPolarHBondContact CA-O 3.4Å; T234-M246 PolarHBondContact N-O 3.4Å; T234-M246 PolarHBondContact O-N 3.41Å; T234-M246 VanDerWaalsContact OG1-CG 3.3Å; T234-M246 WeakPolarHBondContact OG1-CG 3.37Å; T234-M246 PolarHBondContact OG1-O 2.86Å; T234-A248 HydrophobicContact CG2-CB 3.83Å
235T66.9Low69.1Low95 Ų9567.1 Ų67.158%0.58340%0.398SS*.EExtended strand (participates in β ladder)trans-111.2132.2-179.552.40000110.2V243 R245T235-V243 HydrophobicContact CG2-CG1 4.01Å; T235-R245 HydrophobicContact CG2-CG 4.35Å
236K61.1Low68.1Low53 Ų5363.1 Ų63.123%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-125.5142.1167.9-64.1-171.8-175.41730110.7Q52 D56 A238 K244 M246Q52-K236 HydrophobicContact CG-CD 4.46Å; D56-K236 IonicContact OD1-NZ 2.73Å; D56-K236 PolarHBondContact OD1-NZ 3.44Å; D56-K236 WeakPolarHBondContact OD2-CE 3.44Å; D56-K236 IonicContact OD2-NZ 2.71Å; D56-K236 PolarHBondContact OD2-NZ 3.26Å; K236-A238 PolarHBondContact O-N 2.6Å; K236-K244 PolarHBondContact N-O 2.98Å; K236-K244 PolarHBondContact O-N 3.44Å; K236-M246 HydrophobicContact CB-CE 3.69Å; K236-M246 HydrophobicContact CD-CE 3.66Å; K236-M246 HydrophobicContact CD-SD 3.87Å; K236-M246 HydrophobicContact CG-CE 3.64Å; K236-M246 HydrophobicContact CG-SD 4.18Å
237S55.7Low67.2Low100 Ų10060.9 Ų60.970%0.69936%0.363SS*.EExtended strand (participates in β ladder)trans-68.2124.4166.9-490000109.3
238A59.7Low66.5Low28 Ų2860.9 Ų60.923%0.23137%0.365CS..  trans-77.5163.8168.600000110.4K236 D240 G241 A242K236-A238 PolarHBondContact O-N 2.6Å; A238-D240 WeakPolarHBondContact CB-OD1 3.38Å; A238-D240 PolarHBondContact O-N 3.1Å; A238-D240 VanDerWaalsContact O-N 3.09Å; A238-G241 PolarHBondContact O-N 3.45Å; A238-A242 HydrophobicContact CB-CB 4.47Å; A238-A242 WeakPolarHBondContact CB-O 3.48Å; A238-A242 PolarHBondContact N-O 3.47Å
239P53.8Low65.9Low145 Ų14559.3 Ų59.394%0.94236%0.356SS*.THydrogen-bonded Turntrans-64-15.4-174-23.335.1000115.2
240D63.1Low65.1Low130 Ų13058.4 Ų58.470%0.69535%0.35SS*.THydrogen-bonded Turntrans-90.30.817557.12000113.3A238 A242A238-D240 WeakPolarHBondContact CB-OD1 3.38Å; A238-D240 PolarHBondContact O-N 3.1Å; A238-D240 VanDerWaalsContact O-N 3.09Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 VanDerWaalsContact OD1-CB 3.29Å; D240-A242 WeakPolarHBondContact OD1-CB 3.37Å; D240-A242 PolarHBondContact OD1-N 2.95Å
241G56.1Low64.8Low60 Ų6057.4 Ų57.462%0.61934%0.343SS*.SBendtrans85.1-1.6-175.100000114.6A238A238-G241 PolarHBondContact O-N 3.45Å
242A60.9Low64.7Low50 Ų5060.5 Ų60.541%0.41337%0.368SS..  trans-73.2136.2177.800000111.4A238 D240 K244A238-A242 HydrophobicContact CB-CB 4.47Å; A238-A242 WeakPolarHBondContact CB-O 3.48Å; A238-A242 PolarHBondContact N-O 3.47Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 VanDerWaalsContact OD1-CB 3.29Å; D240-A242 WeakPolarHBondContact OD1-CB 3.37Å; D240-A242 PolarHBondContact OD1-N 2.95Å; A242-K244 PolarHBondContact O-N 3.46Å
243V68.4Low64.6Low89 Ų8963.5 Ų63.554%0.53939%0.388SS..EExtended strand (participates in β ladder)trans-82.4104175.5-178.10000109.4T235T235-V243 HydrophobicContact CG2-CG1 4.01Å
244K64.9Low64.6Low67 Ų6771.5 Ų71.529%0.29142%0.417SS..EExtended strand (participates in β ladder)trans-90.8133.4176.7175166172.8154.70111.1K157 K236 A242 M246K157-K244 WeakPolarHBondContact O-CD 3.44Å; K157-K244 WeakPolarHBondContact O-CE 3.41Å; K157-K244 PolarHBondContact O-NZ 3.39Å; K236-K244 PolarHBondContact N-O 2.98Å; K236-K244 PolarHBondContact O-N 3.44Å; A242-K244 PolarHBondContact O-N 3.46Å; K244-M246 HydrophobicContact CG-CE 4.41Å
245R65.9Low65.2Low114 Ų11471.3 Ų71.343%0.4342%0.419SS..EExtended strand (participates in β ladder)trans-96.2140.4178.9-51.2-170.2-153.4-179.43.1110.4D158 W159 E233 T235D158-R245 PolarHBondContact OD1-N 2.85Å; W159-R245 HydrophobicContact CB-CB 3.8Å; W159-R245 WeakPolarHBondContact CB-O 3.42Å; E233-R245 WeakPolarHBondContact OE1-CD 3.39Å; T235-R245 HydrophobicContact CG2-CG 4.35Å
246M65.3Low65.7Low12 Ų1267.6 Ų67.66%0.05940%0.395CS..EExtended strand (participates in β ladder)trans-150.3144.9176.465.7-163.776.200109.8Q52 T234 K236 K244Q52-M246 HydrophobicContact CG-SD 4.29Å; T234-M246 WeakPolarHBondContact CA-O 3.4Å; T234-M246 PolarHBondContact N-O 3.4Å; T234-M246 PolarHBondContact O-N 3.41Å; T234-M246 VanDerWaalsContact OG1-CG 3.3Å; T234-M246 WeakPolarHBondContact OG1-CG 3.37Å; T234-M246 PolarHBondContact OG1-O 2.86Å; K236-M246 HydrophobicContact CB-CE 3.69Å; K236-M246 HydrophobicContact CD-CE 3.66Å; K236-M246 HydrophobicContact CD-SD 3.87Å; K236-M246 HydrophobicContact CG-CE 3.64Å; K236-M246 HydrophobicContact CG-SD 4.18Å; K244-M246 HydrophobicContact CG-CE 4.41Å
247C68Low66.4Low0 Ų068 Ų680%040%0.397CS..EExtended strand (participates in β ladder)trans-61163.3162.5-63.50000110.3T45 I49 W159 C166 L170 V231 T232T45-C247 HydrophobicContact CG2-CB 4.11Å; I49-C247 HydrophobicContact CD1-CB 3.38Å; I49-C247 WeakPolarHBondContact CD1-O 3.45Å; I49-C247 WeakPolarHBondContact CG1-O 3.37Å; W159-C247 WeakPolarHBondContact CH2-SG 3.32Å; W159-C247 WeakPolarHBondContact CZ3-SG 3.46Å; C166-C247 WeakPolarHBondContact CA-SG 3.4Å; C166-C247 HydrophobicContact CB-CB 4.35Å; C166-C247 WeakPolarHBondContact CB-SG 3.48Å; C166-C247 VanDerWaalsContact SG-CA 3.53Å; C166-C247 WeakPolarHBondContact SG-CB 3.37Å; C166-C247 CovalentContact SG-SG 2Å; C166-C247 PolarHBondContact SG-SG 2.73Å; L170-C247 HydrophobicContact CD1-CB 4.25Å; V231-C247 HydrophobicContact CG1-CB 4.09Å; T232-C247 CarbonylContact O-C 3.54Å; T232-C247 VanDerWaalsContact O-CA 3.23Å; T232-C247 WeakPolarHBondContact O-CA 3.48Å
248A63.9Low67.8Low14 Ų1468.5 Ų68.512%0.11639%0.39CS..EExtended strand (participates in β ladder)trans-157.9144.6163.800000110.4V231 T232 T234 T250V231-A248 WeakPolarHBondContact CA-O 3.19Å; T232-A248 PolarHBondContact N-O 3.45Å; T232-A248 PolarHBondContact O-N 2.84Å; T234-A248 HydrophobicContact CG2-CB 3.83Å; A248-T250 PolarHBondContact O-N 3.39Å
249P67Low69Low5 Ų568 Ų683%0.03238%0.383CS..EExtended strand (participates in β ladder)trans-71.3119.6165.328.4-31.2000109.4I49 Q53 M230 W251 Y256I49-P249 VanDerWaalsContact CG2-CD 3.43Å; I49-P249 HydrophobicContact CG2-CG 4.42Å; Q53-P249 PolarHBondContact NE2-O 3.2Å; M230-P249 WeakPolarHBondContact O-CA 3.49Å; P249-W251 HydrophobicContact CB-CG 4.4Å; P249-W251 PolarHBondContact O-N 3.37Å; P249-W251 VanDerWaalsContact O-N 3.1Å; P249-Y256 HydrophobicContact CB-CD2 4.34Å; P249-Y256 HydrophobicContact CB-CE2 4.23Å; P249-Y256 HydrophobicContact CG-CE2 4.17Å
250T67.8Low70.2Confident80 Ų8062 Ų6249%0.49134%0.342SS..  trans-77.816.3176.858.20000113.4M230 T232 A248M230-T250 PolarHBondContact O-N 2.98Å; M230-T250 PolarHBondContact O-OG1 3.35Å; T232-T250 HydrophobicContact CG2-CG2 3.77Å; T232-T250 WeakPolarHBondContact OG1-CG2 3.36Å; A248-T250 PolarHBondContact O-N 3.39Å
251W68.1Low71.3Confident42 Ų4258 Ų5816%0.15932%0.322CS..  trans-71.6143.9-174-69.967.9000112.5P226 M230 P249 A255 Y256 Y259P226-W251 HydrophobicContact CB-CH2 3.79Å; P226-W251 HydrophobicContact CB-CZ2 3.68Å; M230-W251 VanDerWaalsContact CB-CD1 3.45Å; M230-W251 HydrophobicContact CB-CD2 4.47Å; M230-W251 HydrophobicContact CB-CG 4.34Å; M230-W251 HydrophobicContact CB-CZ2 4.33Å; M230-W251 HydrophobicContact CE-CD2 4.38Å; M230-W251 HydrophobicContact CE-CG 4.22Å; M230-W251 HydrophobicContact CG-CZ2 4.1Å; P249-W251 HydrophobicContact CB-CG 4.4Å; P249-W251 PolarHBondContact O-N 3.37Å; P249-W251 VanDerWaalsContact O-N 3.1Å; W251-A255 VanDerWaalsContact CE3-C 3.43Å; W251-A255 HydrophobicContact CE3-CB 3.63Å; W251-A255 HydrophobicContact CZ3-CB 4.05Å; W251-Y256 HydrophobicContact CB-CD2 4.31Å; W251-Y256 HydrophobicContact CB-CG 4.46Å; W251-Y256 HydrophobicContact CD2-CD2 4.44Å; W251-Y256 HydrophobicContact CG-CD2 4.13Å; W251-Y259 HydrophobicContact CH2-CD1 4.12Å; W251-Y259 AromaticContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CE2 4.46Å; W251-Y259 AromaticContact CH2-CG 3.53Å; W251-Y259 HydrophobicContact CH2-CG 3.53Å; W251-Y259 AromaticContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD2 4.15Å; W251-Y259 HydrophobicContact CZ2-CE1 4.35Å; W251-Y259 AromaticContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ3-CG 4.14Å
252A72.1Confident73Confident64 Ų6458.6 Ų58.653%0.52931%0.314SS..  trans-59.8136.3160.200000110.1R254 A255 Y256A252-R254 PolarHBondContact O-N 3.31Å; A252-A255 HydrophobicContact CB-CB 4.48Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-Y256 PolarHBondContact O-N 3.05Å
253P69Low74.2Confident95 Ų9556.2 Ų56.262%0.61730%0.295SS*.Hα-helixtrans-54.8-33.8-172.3-30.235.2000115.1K257P253-K257 WeakPolarHBondContact O-CB 3.35Å; P253-K257 PolarHBondContact O-N 3.01Å; P253-K257 VanDerWaalsContact O-N 3.09Å
254R73.6Confident75.2Confident217 Ų21754.3 Ų54.382%0.81928%0.279SS*.Hα-helixtrans-67.1-44.6175.8-63.4-174.4-174.7-170.42.9112.3A252 K257 I258A252-R254 PolarHBondContact O-N 3.31Å; R254-K257 PolarHBondContact O-N 3.45Å; R254-I258 WeakPolarHBondContact O-CG1 3.46Å; R254-I258 PolarHBondContact O-N 2.9Å
255A78.3Confident76.4Confident38 Ų3852.4 Ų52.431%0.31428%0.278SS..Hα-helixtrans-67.9-40.1-179.900000110.8W251 A252 K257 I258 Y259W251-A255 VanDerWaalsContact CE3-C 3.43Å; W251-A255 HydrophobicContact CE3-CB 3.63Å; W251-A255 HydrophobicContact CZ3-CB 4.05Å; A252-A255 HydrophobicContact CB-CB 4.48Å; A252-A255 PolarHBondContact O-N 2.97Å; A255-K257 PolarHBondContact O-N 3.48Å; A255-I258 PolarHBondContact O-N 3.28Å; A255-Y259 WeakPolarHBondContact O-CB 3.45Å; A255-Y259 PolarHBondContact O-N 3.25Å
256Y76.6Confident77.5Confident17 Ų1749 Ų497%0.06727%0.271CS..Hα-helixtrans-59.1-45.4173.8-173.6-113.2000112.5L50 P249 W251 A252 Y259 L260 L333L50-Y256 HydrophobicContact CD2-CE1 4.42Å; L50-Y256 WeakPolarHBondContact CD2-OH 3.35Å; P249-Y256 HydrophobicContact CB-CD2 4.34Å; P249-Y256 HydrophobicContact CB-CE2 4.23Å; P249-Y256 HydrophobicContact CG-CE2 4.17Å; W251-Y256 HydrophobicContact CB-CD2 4.31Å; W251-Y256 HydrophobicContact CB-CG 4.46Å; W251-Y256 HydrophobicContact CD2-CD2 4.44Å; W251-Y256 HydrophobicContact CG-CD2 4.13Å; A252-Y256 PolarHBondContact O-N 3.05Å; Y256-Y259 PolarHBondContact O-N 3.34Å; Y256-L260 HydrophobicContact CD1-CD1 4.26Å; Y256-L260 HydrophobicContact CE1-CD1 3.47Å; Y256-L260 VanDerWaalsContact CE1-CD1 3.47Å; Y256-L260 HydrophobicContact CE1-CG 4.27Å; Y256-L260 HydrophobicContact CE2-CD1 4.21Å; Y256-L260 HydrophobicContact CE2-CG 4.24Å; Y256-L260 VanDerWaalsContact CZ-CD1 3.43Å; Y256-L260 PolarHBondContact O-N 2.99Å; Y256-L260 WeakPolarHBondContact OH-CD1 3.1Å; Y256-L333 HydrophobicContact CD1-CD2 4.09Å; Y256-L333 HydrophobicContact CE1-CD2 4.2Å
257K76.1Confident78.5Confident61 Ų6148.5 Ų48.527%0.26527%0.268SS..Hα-helixtrans-60.2-46.1175.2176.9173.5-178.3166.30112.4P253 R254 A255 T261 L333 Y334P253-K257 WeakPolarHBondContact O-CB 3.35Å; P253-K257 PolarHBondContact O-N 3.01Å; P253-K257 VanDerWaalsContact O-N 3.09Å; R254-K257 PolarHBondContact O-N 3.45Å; A255-K257 PolarHBondContact O-N 3.48Å; K257-T261 WeakPolarHBondContact O-CB 3.47Å; K257-T261 PolarHBondContact O-N 3.04Å; K257-T261 VanDerWaalsContact O-N 3.09Å; K257-T261 PolarHBondContact O-OG1 3.34Å; K257-L333 HydrophobicContact CD-CB 4.31Å; K257-L333 WeakPolarHBondContact CD-O 3.4Å; K257-L333 VanDerWaalsContact CE-O 3.22Å; K257-L333 WeakPolarHBondContact CE-O 3.29Å; K257-L333 HydrophobicContact CG-CB 4.15Å; K257-L333 PolarHBondContact NZ-O 2.83Å; K257-Y334 HydrophobicContact CG-CE2 4.28Å
258I85.4Confident79.5Confident111 Ų11148.6 Ų48.657%0.56927%0.268SS*.Hα-helixtrans-60.6-47.9176.8-68.4164000109.9R254 A255 T261 V262R254-I258 WeakPolarHBondContact O-CG1 3.46Å; R254-I258 PolarHBondContact O-N 2.9Å; A255-I258 PolarHBondContact O-N 3.28Å; I258-T261 WeakPolarHBondContact O-CB 3.4Å; I258-T261 PolarHBondContact O-N 2.97Å; I258-V262 HydrophobicContact CG2-CG2 4.41Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 2.93Å
259Y83.8Confident80.8Confident18 Ų1850.6 Ų50.67%0.07128%0.279CS..Hα-helixtrans-58.1-51.9-179.9174.7-110.5000113L223 P226 M227 W251 A255 Y256 T261 V262 L263L223-Y259 PolarHBondContact O-OH 3.2Å; P226-Y259 HydrophobicContact CB-CD2 4.14Å; P226-Y259 HydrophobicContact CB-CE2 3.73Å; P226-Y259 HydrophobicContact CG-CD2 4.47Å; P226-Y259 HydrophobicContact CG-CE2 3.94Å; M227-Y259 HydrophobicContact CB-CE1 4.38Å; M227-Y259 WeakPolarHBondContact CB-OH 3.4Å; M227-Y259 HydrophobicContact SD-CE1 4.19Å; W251-Y259 HydrophobicContact CH2-CD1 4.12Å; W251-Y259 AromaticContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CD2 3.73Å; W251-Y259 HydrophobicContact CH2-CE2 4.46Å; W251-Y259 AromaticContact CH2-CG 3.53Å; W251-Y259 HydrophobicContact CH2-CG 3.53Å; W251-Y259 AromaticContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD1 3.96Å; W251-Y259 HydrophobicContact CZ2-CD2 4.15Å; W251-Y259 HydrophobicContact CZ2-CE1 4.35Å; W251-Y259 AromaticContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ2-CG 3.85Å; W251-Y259 HydrophobicContact CZ3-CG 4.14Å; A255-Y259 WeakPolarHBondContact O-CB 3.45Å; A255-Y259 PolarHBondContact O-N 3.25Å; Y256-Y259 PolarHBondContact O-N 3.34Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.95Å; Y259-V262 PolarHBondContact O-N 2.94Å; Y259-L263 HydrophobicContact CD1-CD1 4.37Å; Y259-L263 HydrophobicContact CD2-CG 4.48Å; Y259-L263 HydrophobicContact CE1-CD1 3.67Å; Y259-L263 HydrophobicContact CE1-CG 4.22Å; Y259-L263 HydrophobicContact CE2-CD1 4.27Å; Y259-L263 HydrophobicContact CE2-CD2 4.01Å; Y259-L263 HydrophobicContact CE2-CG 4.06Å; Y259-L263 PolarHBondContact O-N 2.89Å
260L80.9Confident81.9Confident18 Ų1852.3 Ų52.39%0.09429%0.294CS..Hα-helixtrans-62.5-32.9176.9-78.5-177.1000113.1Y256 L263 F264 W326 L330 L333Y256-L260 HydrophobicContact CD1-CD1 4.26Å; Y256-L260 HydrophobicContact CE1-CD1 3.47Å; Y256-L260 VanDerWaalsContact CE1-CD1 3.47Å; Y256-L260 HydrophobicContact CE1-CG 4.27Å; Y256-L260 HydrophobicContact CE2-CD1 4.21Å; Y256-L260 HydrophobicContact CE2-CG 4.24Å; Y256-L260 VanDerWaalsContact CZ-CD1 3.43Å; Y256-L260 PolarHBondContact O-N 2.99Å; Y256-L260 WeakPolarHBondContact OH-CD1 3.1Å; L260-L263 HydrophobicContact CD2-CD1 4.38Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-F264 WeakPolarHBondContact O-CB 3.33Å; L260-F264 PolarHBondContact O-N 3.3Å; L260-W326 HydrophobicContact CD2-CZ3 4.15Å; L260-L330 HydrophobicContact CB-CD2 4.09Å; L260-L333 HydrophobicContact CB-CD1 4.16Å; L260-L333 HydrophobicContact CD1-CD1 3.49Å; L260-L333 VanDerWaalsContact CD1-CD1 3.49Å; L260-L333 HydrophobicContact CG-CD1 4.45Å
261T86.1Confident82.8Confident45 Ų4548.8 Ų48.828%0.27627%0.272SS..Hα-helixtrans-69-40.1176.1-53.90000111.4K257 I258 Y259 F264 G265 Y334K257-T261 WeakPolarHBondContact O-CB 3.47Å; K257-T261 PolarHBondContact O-N 3.04Å; K257-T261 VanDerWaalsContact O-N 3.09Å; K257-T261 PolarHBondContact O-OG1 3.34Å; I258-T261 WeakPolarHBondContact O-CB 3.4Å; I258-T261 PolarHBondContact O-N 2.97Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.95Å; T261-F264 PolarHBondContact O-N 2.86Å; T261-G265 PolarHBondContact O-N 2.78Å; T261-Y334 WeakPolarHBondContact CG2-OH 3.29Å; T261-Y334 PolarHBondContact OG1-OH 3.33Å
262V90.6Very high83.7Confident73 Ų7347.1 Ų47.144%0.44227%0.268SS..Hα-helixtrans-62.1-48.2171.9170.40000110.3I258 Y259 F264 G265 T266I258-V262 HydrophobicContact CG2-CG2 4.41Å; I258-V262 WeakPolarHBondContact O-CG2 3.43Å; I258-V262 PolarHBondContact O-N 2.93Å; Y259-V262 PolarHBondContact O-N 2.94Å; V262-F264 PolarHBondContact O-N 2.95Å; V262-G265 PolarHBondContact O-N 3.48Å; V262-G265 VanDerWaalsContact O-N 3.16Å; V262-T266 HydrophobicContact CG1-CG2 4.23Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 2.95Å; V262-T266 PolarHBondContact O-OG1 2.65Å; V262-T266 VanDerWaalsContact O-OG1 3.11Å
263L87.4Confident84.5Confident1 Ų149.8 Ų49.81%0.00527%0.273CS..Hα-helixtrans-59.2-43.5177.9-68.4-169.5000112.4L223 Y259 L260 T266 S267 W326L223-L263 HydrophobicContact CB-CD2 4.06Å; L223-L263 HydrophobicContact CD2-CD2 4.33Å; Y259-L263 HydrophobicContact CD1-CD1 4.37Å; Y259-L263 HydrophobicContact CD2-CG 4.48Å; Y259-L263 HydrophobicContact CE1-CD1 3.67Å; Y259-L263 HydrophobicContact CE1-CG 4.22Å; Y259-L263 HydrophobicContact CE2-CD1 4.27Å; Y259-L263 HydrophobicContact CE2-CD2 4.01Å; Y259-L263 HydrophobicContact CE2-CG 4.06Å; Y259-L263 PolarHBondContact O-N 2.89Å; L260-L263 HydrophobicContact CD2-CD1 4.38Å; L260-L263 PolarHBondContact O-N 3.38Å; L263-T266 PolarHBondContact O-N 3.43Å; L263-T266 PolarHBondContact O-OG1 3.21Å; L263-S267 WeakPolarHBondContact O-CB 3.5Å; L263-S267 PolarHBondContact O-N 3.17Å; L263-S267 PolarHBondContact O-OG 3.49Å; L263-W326 HydrophobicContact CB-CH2 3.49Å; L263-W326 VanDerWaalsContact CB-CH2 3.49Å; L263-W326 HydrophobicContact CB-CZ2 4.45Å; L263-W326 HydrophobicContact CB-CZ3 3.85Å; L263-W326 HydrophobicContact CD1-CH2 3.98Å; L263-W326 HydrophobicContact CG-CH2 4.43Å
264F87.8Confident85.4Confident48 Ų4849 Ų4921%0.21126%0.263CS..Hα-helixtrans-61.5-44.6174.8174-111000112L260 T261 V262 S267 I268 V269 W326 L330L260-F264 WeakPolarHBondContact O-CB 3.33Å; L260-F264 PolarHBondContact O-N 3.3Å; T261-F264 PolarHBondContact O-N 2.86Å; V262-F264 PolarHBondContact O-N 2.95Å; F264-S267 PolarHBondContact O-N 2.9Å; F264-I268 HydrophobicContact CD2-CB 3.83Å; F264-I268 HydrophobicContact CD2-CG1 3.77Å; F264-I268 HydrophobicContact CD2-CG2 4.4Å; F264-I268 HydrophobicContact CE2-CB 3.75Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CE2-CG2 3.8Å; F264-I268 HydrophobicContact CZ-CG2 4.39Å; F264-I268 WeakPolarHBondContact O-CB 3.11Å; F264-I268 PolarHBondContact O-N 3.29Å; F264-V269 HydrophobicContact CD1-CG2 4.03Å; F264-V269 HydrophobicContact CE1-CG2 3.62Å; F264-V269 HydrophobicContact CZ-CG2 4.02Å; F264-V269 PolarHBondContact O-N 3.25Å; F264-W326 HydrophobicContact CB-CD2 4.44Å; F264-W326 HydrophobicContact CB-CE3 3.89Å; F264-W326 HydrophobicContact CB-CZ3 4.32Å; F264-W326 HydrophobicContact CD2-CB 3.6Å; F264-W326 HydrophobicContact CD2-CD2 4.18Å; F264-W326 HydrophobicContact CD2-CE3 4.33Å; F264-W326 AromaticContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CE2-CB 3.92Å; F264-L330 HydrophobicContact CB-CD1 3.79Å; F264-L330 HydrophobicContact CD1-CD1 3.68Å; F264-L330 HydrophobicContact CD2-CD1 3.96Å; F264-L330 HydrophobicContact CE1-CD1 4.22Å; F264-L330 HydrophobicContact CE2-CD1 4.45Å; F264-L330 HydrophobicContact CG-CD1 3.53Å
265G90.9Very high85.8Confident27 Ų2739 Ų3928%0.27823%0.225SC..Iπ-helixtrans-59.3-47.2175.900000112.6T261 V262 V269 A270T261-G265 PolarHBondContact O-N 2.78Å; V262-G265 PolarHBondContact O-N 3.48Å; V262-G265 VanDerWaalsContact O-N 3.16Å; G265-V269 PolarHBondContact O-N 3.39Å; G265-A270 WeakPolarHBondContact O-CB 2.95Å; G265-A270 PolarHBondContact O-N 3.32Å
266T89.9Confident86.1Confident44 Ų4438.8 Ų38.827%0.2723%0.227SC..Iπ-helixtrans-77.3-24.5-178.358.50000113.8F182 L223 V262 L263 P271F182-T266 WeakPolarHBondContact CE1-O 3.06Å; L223-T266 HydrophobicContact CD2-CG2 4.31Å; V262-T266 HydrophobicContact CG1-CG2 4.23Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 2.95Å; V262-T266 PolarHBondContact O-OG1 2.65Å; V262-T266 VanDerWaalsContact O-OG1 3.11Å; L263-T266 PolarHBondContact O-N 3.43Å; L263-T266 PolarHBondContact O-OG1 3.21Å; T266-P271 WeakPolarHBondContact O-CD 3.21Å; T266-P271 WeakPolarHBondContact O-CG 3.45Å
267S86.3Confident86.6Confident0 Ų044.4 Ų44.40%025%0.249CC..Iπ-helixtrans-108.8-23.4-170.1-480000114.4H178 I181 L263 F264H178-S267 PolarHBondContact CE1-OG 3.28Å; H178-S267 PolarHBondContact ND1-OG 3.27Å; I181-S267 WeakPolarHBondContact CG2-O 3.49Å; L263-S267 WeakPolarHBondContact O-CB 3.5Å; L263-S267 PolarHBondContact O-N 3.17Å; L263-S267 PolarHBondContact O-OG 3.49Å; F264-S267 PolarHBondContact O-N 2.9Å
268I88.1Confident86.9Confident2 Ų242.3 Ų42.31%0.0124%0.241CC..Iπ-helixtrans-114.4-57.7176.4-57.1-62.2000109.9F264 G272 F318 W319 F322 W326F264-I268 HydrophobicContact CD2-CB 3.83Å; F264-I268 HydrophobicContact CD2-CG1 3.77Å; F264-I268 HydrophobicContact CD2-CG2 4.4Å; F264-I268 HydrophobicContact CE2-CB 3.75Å; F264-I268 HydrophobicContact CE2-CG1 3.96Å; F264-I268 HydrophobicContact CE2-CG2 3.8Å; F264-I268 HydrophobicContact CZ-CG2 4.39Å; F264-I268 WeakPolarHBondContact O-CB 3.11Å; F264-I268 PolarHBondContact O-N 3.29Å; I268-G272 WeakPolarHBondContact O-CA 3.39Å; I268-G272 PolarHBondContact O-N 3.28Å; I268-F318 HydrophobicContact CD1-CE1 4.03Å; I268-F318 HydrophobicContact CD1-CZ 3.74Å; I268-W319 HydrophobicContact CG2-CE3 4.48Å; I268-W319 HydrophobicContact CG2-CZ3 4.45Å; I268-F322 HydrophobicContact CD1-CB 3.81Å; I268-W326 VanDerWaalsContact CD1-CD1 3.47Å; I268-W326 HydrophobicContact CD1-CG 4.38Å; I268-W326 HydrophobicContact CG1-CB 4.45Å; I268-W326 HydrophobicContact CG1-CD2 4.45Å; I268-W326 HydrophobicContact CG1-CG 3.85Å
269V90.4Very high86.6Confident57 Ų5739 Ų3935%0.34522%0.222SC..Iπ-helixtrans-67.8-52.7-170.6-174.90000111.6F264 G265 G272 L273F264-V269 HydrophobicContact CD1-CG2 4.03Å; F264-V269 HydrophobicContact CE1-CG2 3.62Å; F264-V269 HydrophobicContact CZ-CG2 4.02Å; F264-V269 PolarHBondContact O-N 3.25Å; G265-V269 PolarHBondContact O-N 3.39Å; V269-G272 PolarHBondContact O-N 3.4Å; V269-L273 HydrophobicContact CG1-CD1 3.85Å; V269-L273 HydrophobicContact CG1-CG 4.25Å; V269-L273 WeakPolarHBondContact O-CB 3.11Å; V269-L273 VanDerWaalsContact O-CG 3.3Å; V269-L273 WeakPolarHBondContact O-CG 3.25Å; V269-L273 PolarHBondContact O-N 3.27Å
270A89.9Confident86.5Confident41 Ų4142.8 Ų42.834%0.33925%0.247SC..Hα-helixtrans-66.1-49.8-176.700000113.6G265 G272 L273 I274G265-A270 WeakPolarHBondContact O-CB 2.95Å; G265-A270 PolarHBondContact O-N 3.32Å; A270-G272 PolarHBondContact O-N 2.99Å; A270-L273 PolarHBondContact O-N 3.46Å; A270-I274 WeakPolarHBondContact O-CD1 3.39Å; A270-I274 VanDerWaalsContact O-CG1 3.25Å; A270-I274 WeakPolarHBondContact O-CG1 3.34Å; A270-I274 PolarHBondContact O-N 3.15Å
271P87.5Confident86.5Confident5 Ų546.7 Ų46.73%0.03226%0.263CS..Hα-helixtrans-54.2-43.7170.2-30.439.2000111.8I181 F182 T266 I274 I275I181-P271 HydrophobicContact CG2-CB 4.06Å; I181-P271 HydrophobicContact CG2-CG 3.69Å; F182-P271 HydrophobicContact CD1-CG 4.43Å; F182-P271 HydrophobicContact CE1-CG 4.24Å; T266-P271 WeakPolarHBondContact O-CD 3.21Å; T266-P271 WeakPolarHBondContact O-CG 3.45Å; P271-I274 PolarHBondContact O-N 3.04Å; P271-I275 VanDerWaalsContact O-CB 3.3Å; P271-I275 WeakPolarHBondContact O-CB 3.33Å; P271-I275 WeakPolarHBondContact O-CD1 3.26Å; P271-I275 WeakPolarHBondContact O-CG1 3.43Å; P271-I275 PolarHBondContact O-N 3.04Å
272G86.3Confident86Confident7 Ų745.4 Ų45.47%0.07225%0.254CS..Hα-helixtrans-58.2-50.1177.900000114.1I268 V269 A270 I275 G276I268-G272 WeakPolarHBondContact O-CA 3.39Å; I268-G272 PolarHBondContact O-N 3.28Å; V269-G272 PolarHBondContact O-N 3.4Å; A270-G272 PolarHBondContact O-N 2.99Å; G272-I275 PolarHBondContact O-N 3.05Å; G272-G276 PolarHBondContact O-N 3.14Å
273L89.1Confident85.4Confident121 Ų12144.8 Ų44.863%0.63426%0.257SS*.Hα-helixtrans-65.1-44.1178-71.5174.2000111.9V269 A270 I275 G276 Y277V269-L273 HydrophobicContact CG1-CD1 3.85Å; V269-L273 HydrophobicContact CG1-CG 4.25Å; V269-L273 WeakPolarHBondContact O-CB 3.11Å; V269-L273 VanDerWaalsContact O-CG 3.3Å; V269-L273 WeakPolarHBondContact O-CG 3.25Å; V269-L273 PolarHBondContact O-N 3.27Å; A270-L273 PolarHBondContact O-N 3.46Å; L273-I275 PolarHBondContact O-N 2.91Å; L273-G276 PolarHBondContact O-N 3.29Å; L273-Y277 VanDerWaalsContact O-CB 3.28Å; L273-Y277 WeakPolarHBondContact O-CB 2.99Å; L273-Y277 PolarHBondContact O-N 3.13Å
274I87.6Confident84.9Confident79 Ų7946.5 Ų46.541%0.40528%0.275SS..Hα-helixtrans-57.4-51.8176.1-69.3164.1000109.6T185 A270 P271 Y277 L278T185-I274 HydrophobicContact CG2-CB 4.4Å; T185-I274 HydrophobicContact CG2-CD1 4.38Å; T185-I274 HydrophobicContact CG2-CG2 3.96Å; A270-I274 WeakPolarHBondContact O-CD1 3.39Å; A270-I274 VanDerWaalsContact O-CG1 3.25Å; A270-I274 WeakPolarHBondContact O-CG1 3.34Å; A270-I274 PolarHBondContact O-N 3.15Å; P271-I274 PolarHBondContact O-N 3.04Å; I274-Y277 PolarHBondContact O-N 3.07Å; I274-L278 HydrophobicContact CG2-CD1 3.93Å; I274-L278 VanDerWaalsContact O-CG 3.23Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.39Å
275I83.8Confident84.1Confident5 Ų547.5 Ų47.53%0.02629%0.285CS..Hα-helixtrans-66.6-44-176.5-67.3165.6000110.9T185 C188 P271 G272 L273 Y277 L278 Y279 V315T185-I275 HydrophobicContact CG2-CD1 4.48Å; T185-I275 HydrophobicContact CG2-CG1 4.36Å; C188-I275 HydrophobicContact CB-CG1 4.12Å; P271-I275 VanDerWaalsContact O-CB 3.3Å; P271-I275 WeakPolarHBondContact O-CB 3.33Å; P271-I275 WeakPolarHBondContact O-CD1 3.26Å; P271-I275 WeakPolarHBondContact O-CG1 3.43Å; P271-I275 PolarHBondContact O-N 3.04Å; G272-I275 PolarHBondContact O-N 3.05Å; L273-I275 PolarHBondContact O-N 2.91Å; I275-Y277 PolarHBondContact O-N 3.01Å; I275-L278 PolarHBondContact O-N 3.09Å; I275-Y279 HydrophobicContact CG2-CD2 3.68Å; I275-Y279 HydrophobicContact CG2-CE2 3.62Å; I275-Y279 VanDerWaalsContact O-CD2 3.23Å; I275-Y279 WeakPolarHBondContact O-CD2 3.36Å; I275-Y279 PolarHBondContact O-N 2.73Å; I275-V315 HydrophobicContact CD1-CG2 4.16Å; I275-V315 HydrophobicContact CG2-CB 4.25Å; I275-V315 HydrophobicContact CG2-CG1 3.69Å; I275-V315 HydrophobicContact CG2-CG2 3.69Å
276G84.1Confident83.2Confident35 Ų3551.2 Ų51.236%0.36129%0.291SS..Hα-helixtrans-57.6-46.3175.200000112.6G272 L273 Y279 T280G272-G276 PolarHBondContact O-N 3.14Å; L273-G276 PolarHBondContact O-N 3.29Å; G276-Y279 PolarHBondContact O-N 3.11Å; G276-T280 WeakPolarHBondContact O-CG2 3.18Å; G276-T280 PolarHBondContact O-N 3.4Å; G276-T280 PolarHBondContact O-OG1 3.07Å
277Y86.1Confident82.4Confident134 Ų13455.2 Ų55.253%0.52531%0.31SS..Hα-helixtrans-61.8-42.5175.5170.6-103.2000113.1L273 I274 I275 Y279 T280 K281L273-Y277 VanDerWaalsContact O-CB 3.28Å; L273-Y277 WeakPolarHBondContact O-CB 2.99Å; L273-Y277 PolarHBondContact O-N 3.13Å; I274-Y277 PolarHBondContact O-N 3.07Å; I275-Y277 PolarHBondContact O-N 3.01Å; Y277-Y279 VanDerWaalsContact C-N 3.27Å; Y277-Y279 PolarHBondContact O-N 2.76Å; Y277-T280 PolarHBondContact O-N 3.39Å; Y277-T280 PolarHBondContact O-OG1 3.19Å; Y277-T280 VanDerWaalsContact O-OG1 3.07Å; Y277-K281 HydrophobicContact CD2-CG 4.4Å; Y277-K281 HydrophobicContact CE1-CG 4.32Å; Y277-K281 HydrophobicContact CE2-CD 4.5Å; Y277-K281 HydrophobicContact CE2-CG 3.86Å; Y277-K281 WeakPolarHBondContact O-CB 3.13Å; Y277-K281 PolarHBondContact O-N 3.33Å; Y277-K281 VanDerWaalsContact O-N 3.09Å; Y277-K281 VanDerWaalsContact OH-CE 3.25Å; Y277-K281 WeakPolarHBondContact OH-CE 3.17Å
278L83.6Confident81.9Confident18 Ų1861.2 Ų61.29%0.09434%0.338CS..Hα-helixtrans-61.9-37.9175.4-67.5169.5000111.1Y192 I274 I275 L282Y192-L278 HydrophobicContact CD1-CD2 3.5Å; Y192-L278 HydrophobicContact CD2-CB 4.28Å; Y192-L278 HydrophobicContact CD2-CD2 4.1Å; Y192-L278 WeakPolarHBondContact CD2-O 3.43Å; Y192-L278 HydrophobicContact CE1-CD2 3.93Å; Y192-L278 HydrophobicContact CE2-CD2 4.47Å; Y192-L278 HydrophobicContact CG-CB 4.35Å; Y192-L278 HydrophobicContact CG-CD2 3.59Å; Y192-L278 HydrophobicContact CG-CG 4.5Å; I274-L278 HydrophobicContact CG2-CD1 3.93Å; I274-L278 VanDerWaalsContact O-CG 3.23Å; I274-L278 WeakPolarHBondContact O-CG 3.28Å; I274-L278 PolarHBondContact O-N 3.39Å; I275-L278 PolarHBondContact O-N 3.09Å; L278-L282 WeakPolarHBondContact O-CB 3.27Å; L278-L282 PolarHBondContact O-N 3.29Å; L278-L282 VanDerWaalsContact O-N 3.1Å
279Y78.9Confident80.9Confident41 Ų4164.5 Ų64.516%0.16136%0.362CS..Hα-helixtrans-71.6-40.7176.7-84.9-64.7000114.1I275 G276 Y277 L282 A283 L308 I311 F312I275-Y279 HydrophobicContact CG2-CD2 3.68Å; I275-Y279 HydrophobicContact CG2-CE2 3.62Å; I275-Y279 VanDerWaalsContact O-CD2 3.23Å; I275-Y279 WeakPolarHBondContact O-CD2 3.36Å; I275-Y279 PolarHBondContact O-N 2.73Å; G276-Y279 PolarHBondContact O-N 3.11Å; Y277-Y279 VanDerWaalsContact C-N 3.27Å; Y277-Y279 PolarHBondContact O-N 2.76Å; Y279-L282 HydrophobicContact CD1-CD2 4.22Å; Y279-L282 HydrophobicContact CE1-CD2 4.27Å; Y279-L282 PolarHBondContact O-N 3.36Å; Y279-A283 WeakPolarHBondContact O-CB 3.33Å; Y279-A283 PolarHBondContact O-N 2.63Å; Y279-L308 PolarHBondContact OH-O 3.25Å; Y279-L308 VanDerWaalsContact OH-O 3.06Å; Y279-I311 VanDerWaalsContact OH-C 3.25Å; Y279-I311 WeakPolarHBondContact OH-CB 3.43Å; Y279-I311 WeakPolarHBondContact OH-CG2 3.4Å; Y279-F312 HydrophobicContact CD1-CD2 4.32Å; Y279-F312 HydrophobicContact CD2-CD2 4.06Å; Y279-F312 HydrophobicContact CE1-CB 3.89Å; Y279-F312 HydrophobicContact CE1-CD2 4.3Å; Y279-F312 HydrophobicContact CE1-CG 4.5Å; Y279-F312 HydrophobicContact CE2-CB 4.27Å; Y279-F312 HydrophobicContact CE2-CD2 4.04Å; Y279-F312 HydrophobicContact CG-CD2 4.23Å; Y279-F312 WeakPolarHBondContact OH-CA 3.23Å; Y279-F312 PolarHBondContact OH-N 3.06Å
280T81.5Confident79.9Confident97 Ų9766.5 Ų66.560%0.59537%0.367SS*.Hα-helixtrans-66-43.6177.655.20000111.5G276 Y277 L282 A283 G284G276-T280 WeakPolarHBondContact O-CG2 3.18Å; G276-T280 PolarHBondContact O-N 3.4Å; G276-T280 PolarHBondContact O-OG1 3.07Å; Y277-T280 PolarHBondContact O-N 3.39Å; Y277-T280 PolarHBondContact O-OG1 3.19Å; Y277-T280 VanDerWaalsContact O-OG1 3.07Å; T280-L282 VanDerWaalsContact C-N 3.34Å; T280-L282 PolarHBondContact O-N 2.85Å; T280-A283 PolarHBondContact O-N 2.89Å; T280-G284 PolarHBondContact O-N 2.81Å
281K81.2Confident78.6Confident101 Ų10172.9 Ų72.944%0.43939%0.387SS..Hα-helixtrans-55.9-47.7171.7-81.7-74-177-179.10112Y192 Y277 G284 T285Y192-K281 HydrophobicContact CE2-CB 3.89Å; Y277-K281 HydrophobicContact CD2-CG 4.4Å; Y277-K281 HydrophobicContact CE1-CG 4.32Å; Y277-K281 HydrophobicContact CE2-CD 4.5Å; Y277-K281 HydrophobicContact CE2-CG 3.86Å; Y277-K281 WeakPolarHBondContact O-CB 3.13Å; Y277-K281 PolarHBondContact O-N 3.33Å; Y277-K281 VanDerWaalsContact O-N 3.09Å; Y277-K281 VanDerWaalsContact OH-CE 3.25Å; Y277-K281 WeakPolarHBondContact OH-CE 3.17Å; K281-G284 PolarHBondContact O-N 2.64Å; K281-T285 PolarHBondContact O-N 2.96Å; K281-T285 PolarHBondContact O-OG1 3.23Å
282L75.5Confident77.3Confident17 Ų1778.8 Ų78.89%0.08942%0.419CS..Hα-helixtrans-67.1-38.9-177.9-179.862.1000113.2Y192 V195 L278 Y279 T280 Y286 L308Y192-L282 HydrophobicContact CD2-CB 4.11Å; Y192-L282 HydrophobicContact CE2-CB 4.24Å; V195-L282 HydrophobicContact CB-CD1 4.4Å; V195-L282 HydrophobicContact CG1-CD1 3.83Å; L278-L282 WeakPolarHBondContact O-CB 3.27Å; L278-L282 PolarHBondContact O-N 3.29Å; L278-L282 VanDerWaalsContact O-N 3.1Å; Y279-L282 HydrophobicContact CD1-CD2 4.22Å; Y279-L282 HydrophobicContact CE1-CD2 4.27Å; Y279-L282 PolarHBondContact O-N 3.36Å; T280-L282 VanDerWaalsContact C-N 3.34Å; T280-L282 PolarHBondContact O-N 2.85Å; L282-Y286 WeakPolarHBondContact O-CB 3.47Å; L282-Y286 PolarHBondContact O-N 3.39Å; L282-L308 HydrophobicContact CD1-CD1 3.95Å; L282-L308 HydrophobicContact CD2-CB 4.39Å; L282-L308 HydrophobicContact CD2-CD1 3.63Å; L282-L308 HydrophobicContact CD2-CD2 3.41Å; L282-L308 VanDerWaalsContact CD2-CD2 3.41Å; L282-L308 HydrophobicContact CD2-CG 3.95Å; L282-L308 HydrophobicContact CG-CD1 4.11Å
283A76.8Confident75.8Confident60 Ų6081.4 Ų81.450%0.49644%0.436SS..Hα-helixtrans-64.5-41.4173.400000111.3Y279 T280 Y286 L287Y279-A283 WeakPolarHBondContact O-CB 3.33Å; Y279-A283 PolarHBondContact O-N 2.63Å; T280-A283 PolarHBondContact O-N 2.89Å; A283-Y286 PolarHBondContact O-N 2.88Å; A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 PolarHBondContact O-N 3.47Å
284G76.7Confident74.2Confident38 Ų3881.7 Ų81.739%0.39244%0.442SS..Hα-helixtrans-57.5-53.9173.600000112.5T280 K281 Y286 L287 E288T280-G284 PolarHBondContact O-N 2.81Å; K281-G284 PolarHBondContact O-N 2.64Å; G284-Y286 VanDerWaalsContact C-N 3.25Å; G284-Y286 PolarHBondContact O-N 3.33Å; G284-L287 PolarHBondContact O-N 2.84Å; G284-L287 VanDerWaalsContact O-N 3.15Å; G284-E288 WeakPolarHBondContact O-CB 3.44Å; G284-E288 PolarHBondContact O-N 3.39Å
285T72.3Confident72.5Confident69 Ų6984 Ų8442%0.42346%0.46SS..Hα-helixtrans-59.3-35.2177-53.30000112.6K281 S289K281-T285 PolarHBondContact O-N 2.96Å; K281-T285 PolarHBondContact O-OG1 3.23Å; T285-S289 VanDerWaalsContact O-CB 3.24Å; T285-S289 WeakPolarHBondContact O-CB 3.18Å; T285-S289 PolarHBondContact O-N 3.06Å
286Y71.3Confident70.7Confident104 Ų10489.8 Ų89.841%0.40849%0.491SS..Hα-helixtrans-70.3-40.9176.5-175.4-106.3000112.6L282 A283 G284 S289 Q290 Q305L282-Y286 WeakPolarHBondContact O-CB 3.47Å; L282-Y286 PolarHBondContact O-N 3.39Å; A283-Y286 PolarHBondContact O-N 2.88Å; G284-Y286 VanDerWaalsContact C-N 3.25Å; G284-Y286 PolarHBondContact O-N 3.33Å; Y286-S289 PolarHBondContact O-N 3.28Å; Y286-Q290 HydrophobicContact CD1-CG 4.36Å; Y286-Q290 HydrophobicContact CE1-CG 4.09Å; Y286-Q290 WeakPolarHBondContact O-CB 3.2Å; Y286-Q290 VanDerWaalsContact O-CG 3.23Å; Y286-Q290 WeakPolarHBondContact O-CG 3.49Å; Y286-Q290 PolarHBondContact O-N 3.37Å; Y286-Q290 PolarHBondContact OH-NE2 3.18Å; Y286-Q290 VanDerWaalsContact OH-NE2 3.13Å; Y286-Q305 PolarHBondContact OH-NE2 2.95Å; Y286-Q305 VanDerWaalsContact OH-NE2 3.07Å; Y286-Q305 PolarHBondContact OH-OE1 3.02Å
287L74.1Confident69Low128 Ų12898.4 Ų98.467%0.6752%0.518SS*.Hα-helixtrans-66.4-41.9177.7-174.862.8000111.6A283 G284 Q290 K291A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 PolarHBondContact O-N 3.47Å; G284-L287 PolarHBondContact O-N 2.84Å; G284-L287 VanDerWaalsContact O-N 3.15Å; L287-Q290 PolarHBondContact O-N 3.41Å; L287-K291 PolarHBondContact O-N 3.45Å
288E75Confident66.9Low126 Ų126101.9 Ų101.959%0.58953%0.531SS*.Hα-helixtrans-64.6-44.5174.6-172.4171.2-152.500111.7G284 Q290 K291 N292G284-E288 WeakPolarHBondContact O-CB 3.44Å; G284-E288 PolarHBondContact O-N 3.39Å; E288-Q290 VanDerWaalsContact C-N 3.28Å; E288-Q290 PolarHBondContact O-N 2.98Å; E288-K291 PolarHBondContact O-N 3.28Å; E288-N292 PolarHBondContact O-N 3.44Å; E288-N292 PolarHBondContact O-ND2 3.28Å
289S68.3Low64.9Low71 Ų71109.7 Ų109.750%0.49757%0.572SS.*Hα-helixtrans-61.7-33.5173.8-177.20000113T285 Y286 S293T285-S289 VanDerWaalsContact O-CB 3.24Å; T285-S289 WeakPolarHBondContact O-CB 3.18Å; T285-S289 PolarHBondContact O-N 3.06Å; Y286-S289 PolarHBondContact O-N 3.28Å; S289-S293 VanDerWaalsContact O-CB 3.32Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 3.45Å; S289-S293 PolarHBondContact O-OG 2.78Å
290Q67.4Low63.2Low99 Ų99115.7 Ų115.746%0.46360%0.604SS.*Hα-helixtrans-72.5-41.1175.4-75.6-109.239.500111.9Y286 L287 E288 N292 S293Y286-Q290 HydrophobicContact CD1-CG 4.36Å; Y286-Q290 HydrophobicContact CE1-CG 4.09Å; Y286-Q290 WeakPolarHBondContact O-CB 3.2Å; Y286-Q290 VanDerWaalsContact O-CG 3.23Å; Y286-Q290 WeakPolarHBondContact O-CG 3.49Å; Y286-Q290 PolarHBondContact O-N 3.37Å; Y286-Q290 PolarHBondContact OH-NE2 3.18Å; Y286-Q290 VanDerWaalsContact OH-NE2 3.13Å; L287-Q290 PolarHBondContact O-N 3.41Å; E288-Q290 VanDerWaalsContact C-N 3.28Å; E288-Q290 PolarHBondContact O-N 2.98Å; Q290-N292 PolarHBondContact O-N 3.33Å; Q290-S293 PolarHBondContact O-N 3.32Å; Q290-S293 VanDerWaalsContact O-N 3.08Å; Q290-S293 PolarHBondContact O-OG 3.08Å
291K64.5Low61.6Low176 Ų176120.4 Ų120.477%0.76561%0.611SS**Hα-helixtrans-60.5-35.8176.1-168.5177.3179.1-1760111.6L287 E288L287-K291 PolarHBondContact O-N 3.45Å; E288-K291 PolarHBondContact O-N 3.28Å
292N59.9Low60.4Low129 Ų129117.8 Ų117.869%0.6961%0.605SS**THydrogen-bonded Turntrans-82.1-12.8176.2-65.2-20.9000113.8E288 Q290E288-N292 PolarHBondContact O-N 3.44Å; E288-N292 PolarHBondContact O-ND2 3.28Å; Q290-N292 PolarHBondContact O-N 3.33Å
293S53.3Low59.5Low61 Ų61119.9 Ų119.943%0.42762%0.62SS.*  trans-107.658.7-176.676.50000113.6S289 Q290 V295S289-S293 VanDerWaalsContact O-CB 3.32Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 3.45Å; S289-S293 PolarHBondContact O-OG 2.78Å; Q290-S293 PolarHBondContact O-N 3.32Å; Q290-S293 VanDerWaalsContact O-N 3.08Å; Q290-S293 PolarHBondContact O-OG 3.08Å; S293-V295 PolarHBondContact O-N 3.41Å
294V55.8Low58.7Low128 Ų128122 Ų12278%0.77662%0.618SS**  trans-64.9-20.3173.5179.20000112
295V52.6Low58.2Low128 Ų128122.6 Ų122.678%0.77661%0.61SS**SBendtrans-114.659.1-170.4-163.90000113.6S293S293-V295 PolarHBondContact O-N 3.41Å
296N45.2Very low58Low126 Ų126123.9 Ų123.967%0.67461%0.61SS**  trans178.383.3140.3-106.1-64.5000113.1R298N296-R298 VanDerWaalsContact C-N 3.35Å; N296-R298 PolarHBondContact O-N 3.03Å
297K48.8Very low57.8Low216 Ų216120.1 Ų120.194%0.93960%0.598SS**  trans-74.684163.7-76.9-177.4177.8175.20110.8
298R42.2Very low57.5Low207 Ų207115.2 Ų115.278%0.78157%0.572SS**  trans-13690.6164.1-74.1-169.9-175.5164.34.4112N296 M300N296-R298 VanDerWaalsContact C-N 3.35Å; N296-R298 PolarHBondContact O-N 3.03Å; R298-M300 WeakPolarHBondContact O-CB 3.21Å; R298-M300 PolarHBondContact O-N 2.88Å
299N42.1Very low57.4Low181 Ų181113.3 Ų113.397%0.96857%0.569SS**  trans28.928.5147.5-73.3-12.4000120.9
300M42.8Very low57.6Low168 Ų168110.9 Ų110.983%0.82855%0.55SS**  trans-110.775.9177.6-160.9109.973.400108.4R298 S302R298-M300 WeakPolarHBondContact O-CB 3.21Å; R298-M300 PolarHBondContact O-N 2.88Å; M300-S302 VanDerWaalsContact C-N 3.35Å; M300-S302 PolarHBondContact O-N 3.39Å
301R48.8Very low57.8Low196 Ų196106.2 Ų106.274%0.7453%0.528SS*.  trans-50.6105162.7-84.8-178.8174.3148.3-3106.7
302S55.9Low58.3Low46 Ų46102.2 Ų102.232%0.32251%0.511SS..  trans-59.4146.7-171.171.30000109.2M300 K304 Q305 K306M300-S302 VanDerWaalsContact C-N 3.35Å; M300-S302 PolarHBondContact O-N 3.39Å; S302-K304 PolarHBondContact O-N 2.94Å; S302-Q305 WeakPolarHBondContact O-CB 3.41Å; S302-Q305 PolarHBondContact O-N 3.48Å; S302-Q305 PolarHBondContact OG-N 2.79Å; S302-K306 PolarHBondContact O-N 2.87Å
303P55.5Low59.3Low61 Ų6198.9 Ų98.940%0.39650%0.496SS..Hα-helixtrans-51.4-34.8176.3-27.734000111.9Q305 K306 V307 Y378P303-Q305 PolarHBondContact O-N 2.94Å; P303-K306 PolarHBondContact O-N 3.48Å; P303-V307 WeakPolarHBondContact O-CG2 3.42Å; P303-V307 PolarHBondContact O-N 3.17Å; P303-Y378 HydrophobicContact CB-CD2 4.41Å; P303-Y378 HydrophobicContact CG-CD2 3.54Å; P303-Y378 HydrophobicContact CG-CE2 4Å; P303-Y378 HydrophobicContact CG-CG 4.15Å
304K61.1Low60.4Low103 Ų10396 Ų9645%0.44848%0.475SS..Hα-helixtrans-53.7-47.3172.9-59.8-174.9176.2-170.10112.3V195 S302 K306 V307 L308V195-K304 HydrophobicContact CG2-CB 4.25Å; V195-K304 HydrophobicContact CG2-CD 4.33Å; V195-K304 HydrophobicContact CG2-CG 4.49Å; S302-K304 PolarHBondContact O-N 2.94Å; K304-K306 PolarHBondContact O-N 2.93Å; K304-V307 PolarHBondContact O-N 3.43Å; K304-L308 VanDerWaalsContact O-CG 3.29Å; K304-L308 WeakPolarHBondContact O-CG 3.37Å; K304-L308 PolarHBondContact O-N 2.93Å; K304-L308 VanDerWaalsContact O-N 3.1Å
305Q65.1Low61.4Low51 Ų5190.3 Ų90.324%0.23844%0.441CS..Hα-helixtrans-64.4-40.8-179-169.3175.714.600112.7Y286 S302 P303 V307 L308 V309Y286-Q305 PolarHBondContact OH-NE2 2.95Å; Y286-Q305 VanDerWaalsContact OH-NE2 3.07Å; Y286-Q305 PolarHBondContact OH-OE1 3.02Å; S302-Q305 WeakPolarHBondContact O-CB 3.41Å; S302-Q305 PolarHBondContact O-N 3.48Å; S302-Q305 PolarHBondContact OG-N 2.79Å; P303-Q305 PolarHBondContact O-N 2.94Å; Q305-V307 VanDerWaalsContact C-N 3.33Å; Q305-V307 PolarHBondContact O-N 3Å; Q305-L308 PolarHBondContact O-N 3.06Å; Q305-V309 WeakPolarHBondContact O-CG2 3.44Å; Q305-V309 PolarHBondContact O-N 3.09Å
306K67.8Low62.9Low96 Ų9688.8 Ų88.842%0.41743%0.428SS..Hα-helixtrans-60-43.4175.3-71.5-173.9171.6-176.90111.9S302 P303 K304 L308 M310 N374S302-K306 PolarHBondContact O-N 2.87Å; P303-K306 PolarHBondContact O-N 3.48Å; K304-K306 PolarHBondContact O-N 2.93Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.88Å; K306-M310 WeakPolarHBondContact O-CB 3.33Å; K306-M310 PolarHBondContact O-N 3.02Å; K306-N374 WeakPolarHBondContact CD-OD1 3.36Å; K306-N374 WeakPolarHBondContact CE-OD1 3.49Å; K306-N374 PolarHBondContact NZ-OD1 3.24Å
307V67.3Low64.8Low26 Ų2684.2 Ų84.216%0.15841%0.405CS..Hα-helixtrans-62.6-41.4177.9178.70000111.1P303 K304 Q305 M310 I311 L371P303-V307 WeakPolarHBondContact O-CG2 3.42Å; P303-V307 PolarHBondContact O-N 3.17Å; K304-V307 PolarHBondContact O-N 3.43Å; Q305-V307 VanDerWaalsContact C-N 3.33Å; Q305-V307 PolarHBondContact O-N 3Å; V307-M310 PolarHBondContact O-N 3.44Å; V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.5Å; V307-I311 WeakPolarHBondContact O-CD1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.22Å; V307-I311 PolarHBondContact O-N 3.41Å; V307-L371 HydrophobicContact CB-CD1 4.27Å; V307-L371 HydrophobicContact CG1-CD1 4Å; V307-L371 HydrophobicContact CG2-CD1 3.56Å
308L68.6Low66.5Low24 Ų2474.2 Ų74.213%0.12636%0.361CS..Hα-helixtrans-69-43.6-179.2-67.4168.4000113.3V195 Y279 L282 K304 Q305 K306 M310 I311 F312V195-L308 HydrophobicContact CG1-CD1 4.38Å; V195-L308 HydrophobicContact CG2-CD1 4.11Å; V195-L308 HydrophobicContact CG2-CD2 4.31Å; V195-L308 HydrophobicContact CG2-CG 4.42Å; Y279-L308 PolarHBondContact OH-O 3.25Å; Y279-L308 VanDerWaalsContact OH-O 3.06Å; L282-L308 HydrophobicContact CD1-CD1 3.95Å; L282-L308 HydrophobicContact CD2-CB 4.39Å; L282-L308 HydrophobicContact CD2-CD1 3.63Å; L282-L308 HydrophobicContact CD2-CD2 3.41Å; L282-L308 VanDerWaalsContact CD2-CD2 3.41Å; L282-L308 HydrophobicContact CD2-CG 3.95Å; L282-L308 HydrophobicContact CG-CD1 4.11Å; K304-L308 VanDerWaalsContact O-CG 3.29Å; K304-L308 WeakPolarHBondContact O-CG 3.37Å; K304-L308 PolarHBondContact O-N 2.93Å; K304-L308 VanDerWaalsContact O-N 3.1Å; Q305-L308 PolarHBondContact O-N 3.06Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.88Å; L308-M310 VanDerWaalsContact C-N 3.32Å; L308-I311 PolarHBondContact O-N 2.88Å; L308-F312 PolarHBondContact O-N 3.4Å
309V73.4Confident68.6Low87 Ų8768.6 Ų68.653%0.52734%0.34SS..Hα-helixtrans-60.5-44.6174.21710000110.3Q305 I311 F312 T313Q305-V309 WeakPolarHBondContact O-CG2 3.44Å; Q305-V309 PolarHBondContact O-N 3.09Å; V309-I311 PolarHBondContact O-N 2.8Å; V309-F312 WeakPolarHBondContact O-CB 3.46Å; V309-F312 PolarHBondContact O-N 3.43Å; V309-T313 PolarHBondContact O-N 3.23Å; V309-T313 PolarHBondContact O-OG1 3.46Å; V309-T313 VanDerWaalsContact O-OG1 3.1Å
310M72.3Confident70.8Confident19 Ų1962.9 Ų62.99%0.09432%0.318CS..Hα-helixtrans-61.3-44.3177.4-175.7-157.579.500112.2M187 K306 V307 L308 F312 T313 I314 L367 L371M187-M310 HydrophobicContact CE-CE 4.05Å; K306-M310 WeakPolarHBondContact O-CB 3.33Å; K306-M310 PolarHBondContact O-N 3.02Å; V307-M310 PolarHBondContact O-N 3.44Å; L308-M310 VanDerWaalsContact C-N 3.32Å; M310-F312 VanDerWaalsContact C-N 3.28Å; M310-F312 PolarHBondContact O-N 3.2Å; M310-T313 WeakPolarHBondContact O-CB 3.17Å; M310-T313 PolarHBondContact O-N 2.85Å; M310-I314 HydrophobicContact CE-CD1 4.31Å; M310-I314 WeakPolarHBondContact O-CG1 3.41Å; M310-I314 PolarHBondContact O-N 3.42Å; M310-L367 HydrophobicContact CG-CB 4.35Å; M310-L367 HydrophobicContact CG-CD2 4.04Å; M310-L371 HydrophobicContact CE-CB 4Å; M310-L371 HydrophobicContact CE-CD1 3.92Å; M310-L371 HydrophobicContact CE-CD2 4.18Å; M310-L371 HydrophobicContact CE-CG 4.25Å; M310-L371 HydrophobicContact SD-CB 3.61Å; M310-L371 HydrophobicContact SD-CD1 4.11Å; M310-L371 HydrophobicContact SD-CG 4.37Å
311I70.8Confident72.9Confident1 Ų155.2 Ų55.21%0.00528%0.281CS..Hα-helixtrans-60.7-40.2175.6-64.2160.1000110.7M187 C188 R191 Y279 V307 L308 V309 T313 I314 V315M187-I311 HydrophobicContact CE-CD1 4.17Å; M187-I311 HydrophobicContact CE-CG1 3.67Å; C188-I311 HydrophobicContact CB-CG2 4.26Å; C188-I311 WeakPolarHBondContact SG-CG2 3.48Å; R191-I311 HydrophobicContact CB-CD1 3.5Å; R191-I311 VanDerWaalsContact CB-CD1 3.5Å; R191-I311 HydrophobicContact CG-CD1 3.48Å; R191-I311 VanDerWaalsContact CG-CD1 3.48Å; Y279-I311 VanDerWaalsContact OH-C 3.25Å; Y279-I311 WeakPolarHBondContact OH-CB 3.43Å; Y279-I311 WeakPolarHBondContact OH-CG2 3.4Å; V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.5Å; V307-I311 WeakPolarHBondContact O-CD1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.22Å; V307-I311 PolarHBondContact O-N 3.41Å; L308-I311 PolarHBondContact O-N 2.88Å; V309-I311 PolarHBondContact O-N 2.8Å; I311-T313 VanDerWaalsContact C-N 3.3Å; I311-T313 PolarHBondContact O-N 2.89Å; I311-I314 PolarHBondContact O-N 2.88Å; I311-I314 VanDerWaalsContact O-N 3.11Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.34Å; I311-V315 PolarHBondContact O-N 3.14Å
312F76Confident74.6Confident93 Ų9346.1 Ų46.141%0.40825%0.246SC..Hα-helixtrans-64.1-38.9177.8-179.6-107.4000110.8Y279 L308 V309 M310 V315 L316Y279-F312 HydrophobicContact CD1-CD2 4.32Å; Y279-F312 HydrophobicContact CD2-CD2 4.06Å; Y279-F312 HydrophobicContact CE1-CB 3.89Å; Y279-F312 HydrophobicContact CE1-CD2 4.3Å; Y279-F312 HydrophobicContact CE1-CG 4.5Å; Y279-F312 HydrophobicContact CE2-CB 4.27Å; Y279-F312 HydrophobicContact CE2-CD2 4.04Å; Y279-F312 HydrophobicContact CG-CD2 4.23Å; Y279-F312 WeakPolarHBondContact OH-CA 3.23Å; Y279-F312 PolarHBondContact OH-N 3.06Å; L308-F312 PolarHBondContact O-N 3.4Å; V309-F312 WeakPolarHBondContact O-CB 3.46Å; V309-F312 PolarHBondContact O-N 3.43Å; M310-F312 VanDerWaalsContact C-N 3.28Å; M310-F312 PolarHBondContact O-N 3.2Å; F312-V315 PolarHBondContact O-N 2.88Å; F312-L316 HydrophobicContact CD1-CD1 3.94Å; F312-L316 HydrophobicContact CD1-CG 4.37Å; F312-L316 HydrophobicContact CE1-CD1 3.41Å; F312-L316 VanDerWaalsContact CE1-CD1 3.41Å; F312-L316 HydrophobicContact CE1-CG 4.03Å; F312-L316 HydrophobicContact CE2-CD2 4.49Å; F312-L316 HydrophobicContact CE2-CG 4.41Å; F312-L316 HydrophobicContact CZ-CD1 3.81Å; F312-L316 HydrophobicContact CZ-CD2 4.15Å; F312-L316 HydrophobicContact CZ-CG 4.04Å; F312-L316 WeakPolarHBondContact O-CG 2.84Å; F312-L316 PolarHBondContact O-N 3.44Å
313T80.2Confident76.1Confident59 Ų5946.7 Ų46.736%0.36225%0.245SC..Hα-helixtrans-60.6-44.3170.4-52.90000112.4V309 M310 I311 V315 L316 V317 L367V309-T313 PolarHBondContact O-N 3.23Å; V309-T313 PolarHBondContact O-OG1 3.46Å; V309-T313 VanDerWaalsContact O-OG1 3.1Å; M310-T313 WeakPolarHBondContact O-CB 3.17Å; M310-T313 PolarHBondContact O-N 2.85Å; I311-T313 VanDerWaalsContact C-N 3.3Å; I311-T313 PolarHBondContact O-N 2.89Å; T313-V315 VanDerWaalsContact C-N 3.26Å; T313-V315 PolarHBondContact O-N 3.18Å; T313-L316 PolarHBondContact O-N 2.99Å; T313-V317 HydrophobicContact CG2-CG2 4.41Å; T313-V317 WeakPolarHBondContact O-CB 3.23Å; T313-V317 VanDerWaalsContact O-CG2 3.3Å; T313-V317 WeakPolarHBondContact O-CG2 2.92Å; T313-V317 PolarHBondContact O-N 3.26Å; T313-L367 HydrophobicContact CG2-CD2 4.18Å
314I77.4Confident77.6Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-59.7-41.4177.1-37.5-160.2000110.4L184 M187 M310 I311 V317 F318 L367 Y368L184-I314 HydrophobicContact CD1-CB 4.06Å; L184-I314 HydrophobicContact CD1-CD1 4.49Å; L184-I314 HydrophobicContact CD1-CG2 3.69Å; L184-I314 HydrophobicContact CD2-CG2 3.98Å; M187-I314 HydrophobicContact CE-CD1 4.34Å; M310-I314 HydrophobicContact CE-CD1 4.31Å; M310-I314 WeakPolarHBondContact O-CG1 3.41Å; M310-I314 PolarHBondContact O-N 3.42Å; I311-I314 PolarHBondContact O-N 2.88Å; I311-I314 VanDerWaalsContact O-N 3.11Å; I314-V317 PolarHBondContact O-N 3.26Å; I314-F318 VanDerWaalsContact O-CB 3.31Å; I314-F318 WeakPolarHBondContact O-CB 3.21Å; I314-F318 PolarHBondContact O-N 2.69Å; I314-L367 HydrophobicContact CB-CD1 4.09Å; I314-L367 HydrophobicContact CD1-CB 3.93Å; I314-L367 HydrophobicContact CD1-CD1 3.95Å; I314-L367 HydrophobicContact CD1-CG 4.43Å; I314-L367 HydrophobicContact CG1-CB 4.25Å; I314-L367 HydrophobicContact CG1-CD1 3.61Å; I314-L367 HydrophobicContact CG1-CD2 4.23Å; I314-L367 HydrophobicContact CG1-CG 4.24Å; I314-L367 HydrophobicContact CG2-CD1 4Å; I314-Y368 HydrophobicContact CD1-CE1 4.41Å
315V75.9Confident78.7Confident8 Ų842.1 Ų42.15%0.04822%0.224CC..Hα-helixtrans-66.7-47.4179.7174.90000111I275 I311 F312 T313 V317 F318 W319I275-V315 HydrophobicContact CD1-CG2 4.16Å; I275-V315 HydrophobicContact CG2-CB 4.25Å; I275-V315 HydrophobicContact CG2-CG1 3.69Å; I275-V315 HydrophobicContact CG2-CG2 3.69Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.34Å; I311-V315 PolarHBondContact O-N 3.14Å; F312-V315 PolarHBondContact O-N 2.88Å; T313-V315 VanDerWaalsContact C-N 3.26Å; T313-V315 PolarHBondContact O-N 3.18Å; V315-V317 VanDerWaalsContact C-N 3.31Å; V315-V317 PolarHBondContact O-N 3.24Å; V315-F318 WeakPolarHBondContact O-CB 3.25Å; V315-F318 PolarHBondContact O-N 3.4Å; V315-W319 PolarHBondContact O-N 3.37Å
316L83.8Confident79.6Confident96 Ų9639.9 Ų39.950%0.50321%0.214SC..Hα-helixtrans-60.3-41.6176.4-72.9-177.8000112F312 T313 W319 A320F312-L316 HydrophobicContact CD1-CD1 3.94Å; F312-L316 HydrophobicContact CD1-CG 4.37Å; F312-L316 HydrophobicContact CE1-CD1 3.41Å; F312-L316 VanDerWaalsContact CE1-CD1 3.41Å; F312-L316 HydrophobicContact CE1-CG 4.03Å; F312-L316 HydrophobicContact CE2-CD2 4.49Å; F312-L316 HydrophobicContact CE2-CG 4.41Å; F312-L316 HydrophobicContact CZ-CD1 3.81Å; F312-L316 HydrophobicContact CZ-CD2 4.15Å; F312-L316 HydrophobicContact CZ-CG 4.04Å; F312-L316 WeakPolarHBondContact O-CG 2.84Å; F312-L316 PolarHBondContact O-N 3.44Å; T313-L316 PolarHBondContact O-N 2.99Å; L316-W319 PolarHBondContact O-N 3.13Å; L316-A320 VanDerWaalsContact O-CB 3.29Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.98Å
317V86Confident80.4Confident31 Ų3139.4 Ų39.419%0.18822%0.215CC..Hα-helixtrans-61.1-47.1173.8166.70000110.9T313 I314 V315 W319 A320 C321 I363T313-V317 HydrophobicContact CG2-CG2 4.41Å; T313-V317 WeakPolarHBondContact O-CB 3.23Å; T313-V317 VanDerWaalsContact O-CG2 3.3Å; T313-V317 WeakPolarHBondContact O-CG2 2.92Å; T313-V317 PolarHBondContact O-N 3.26Å; I314-V317 PolarHBondContact O-N 3.26Å; V315-V317 VanDerWaalsContact C-N 3.31Å; V315-V317 PolarHBondContact O-N 3.24Å; V317-W319 PolarHBondContact O-N 3.12Å; V317-A320 PolarHBondContact O-N 3.06Å; V317-C321 WeakPolarHBondContact O-CB 2.91Å; V317-C321 PolarHBondContact O-N 2.82Å; V317-C321 PolarHBondContact O-SG 3.3Å; V317-I363 HydrophobicContact CG1-CB 4.19Å; V317-I363 HydrophobicContact CG1-CD1 3.49Å; V317-I363 VanDerWaalsContact CG1-CD1 3.49Å; V317-I363 HydrophobicContact CG1-CG1 4.43Å; V317-I363 HydrophobicContact CG1-CG2 3.9Å; V317-I363 HydrophobicContact CG2-CG2 4.36Å
318F84.2Confident81Confident6 Ų640.2 Ų40.23%0.02622%0.215CC..Hα-helixtrans-56.9-49.4178167.7-99.9000111.8I181 L184 I268 I314 V315 C321 F322 N360I181-F318 HydrophobicContact CB-CZ 4.46Å; I181-F318 HydrophobicContact CD1-CE2 3.78Å; I181-F318 HydrophobicContact CD1-CZ 3.67Å; I181-F318 HydrophobicContact CG1-CD2 4.39Å; I181-F318 HydrophobicContact CG1-CE2 3.37Å; I181-F318 HydrophobicContact CG1-CZ 3.51Å; I181-F318 HydrophobicContact CG2-CZ 4.24Å; L184-F318 HydrophobicContact CD2-CB 4.05Å; L184-F318 HydrophobicContact CD2-CG 4.28Å; I268-F318 HydrophobicContact CD1-CE1 4.03Å; I268-F318 HydrophobicContact CD1-CZ 3.74Å; I314-F318 VanDerWaalsContact O-CB 3.31Å; I314-F318 WeakPolarHBondContact O-CB 3.21Å; I314-F318 PolarHBondContact O-N 2.69Å; V315-F318 WeakPolarHBondContact O-CB 3.25Å; V315-F318 PolarHBondContact O-N 3.4Å; F318-C321 PolarHBondContact O-N 2.93Å; F318-F322 AromaticContact CD2-CD2 3.28Å; F318-F322 HydrophobicContact CD2-CD2 3.28Å; F318-F322 AromaticContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CG 4.2Å; F318-F322 HydrophobicContact CE2-CB 4.03Å; F318-F322 HydrophobicContact CE2-CD1 4.45Å; F318-F322 AromaticContact CE2-CD2 3.08Å; F318-F322 HydrophobicContact CE2-CD2 3.08Å; F318-F322 AromaticContact CE2-CE2 3.54Å; F318-F322 HydrophobicContact CE2-CE2 3.54Å; F318-F322 AromaticContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CZ 4.41Å; F318-F322 HydrophobicContact CG-CD2 4.3Å; F318-F322 HydrophobicContact CZ-CB 4.14Å; F318-F322 HydrophobicContact CZ-CD2 4.04Å; F318-F322 HydrophobicContact CZ-CG 4.16Å; F318-F322 WeakPolarHBondContact O-CD2 3.27Å; F318-F322 PolarHBondContact O-N 3.33Å; F318-N360 WeakPolarHBondContact CA-OD1 3.19Å
319W85.6Confident81.4Confident89 Ų8939.8 Ų39.834%0.33721%0.212SC..Hα-helixtrans-62.3-46.3176.4-80.871.4000111.5I268 V315 L316 V317 C321 F322 L323I268-W319 HydrophobicContact CG2-CE3 4.48Å; I268-W319 HydrophobicContact CG2-CZ3 4.45Å; V315-W319 PolarHBondContact O-N 3.37Å; L316-W319 PolarHBondContact O-N 3.13Å; V317-W319 PolarHBondContact O-N 3.12Å; W319-C321 PolarHBondContact O-N 2.8Å; W319-F322 PolarHBondContact O-N 2.93Å; W319-L323 HydrophobicContact CE3-CD1 3.68Å; W319-L323 HydrophobicContact CZ3-CD1 3.98Å; W319-L323 WeakPolarHBondContact O-CB 2.84Å; W319-L323 PolarHBondContact O-N 3.13Å
320A88.1Confident81.5Confident61 Ų6136.6 Ų36.650%0.50419%0.192SC..Hα-helixtrans-58.5-33.3176.300000112.3L316 V317 P324 L356L316-A320 VanDerWaalsContact O-CB 3.29Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.98Å; V317-A320 PolarHBondContact O-N 3.06Å; A320-P324 WeakPolarHBondContact O-CD 2.97Å; A320-P324 WeakPolarHBondContact O-CG 3Å; A320-L356 VanDerWaalsContact O-CD2 3.25Å; A320-L356 WeakPolarHBondContact O-CD2 2.83Å
321C87.1Confident81.8Confident7 Ų739.6 Ų39.65%0.04721%0.205CC..Hα-helixtrans-80.2-42.6-179.4-67.40000114.1V317 F318 W319 L356 N360V317-C321 WeakPolarHBondContact O-CB 2.91Å; V317-C321 PolarHBondContact O-N 2.82Å; V317-C321 PolarHBondContact O-SG 3.3Å; F318-C321 PolarHBondContact O-N 2.93Å; W319-C321 PolarHBondContact O-N 2.8Å; C321-L356 HydrophobicContact CB-CG 4.39Å; C321-L356 WeakPolarHBondContact CB-O 3.05Å; C321-N360 HydrophobicContact CB-CB 3.98Å
322F85.2Confident81.8Confident4 Ų442.1 Ų42.12%0.01822%0.221CC..Hα-helixtrans-97.5-30.5-171.8-77.1-85000114.6M177 I268 F318 W319 F325 W326 T357 N360M177-F322 HydrophobicContact CG-CD1 4.26Å; M177-F322 HydrophobicContact CG-CE1 3.48Å; M177-F322 VanDerWaalsContact CG-CE1 3.48Å; M177-F322 HydrophobicContact CG-CZ 3.97Å; M177-F322 HydrophobicContact SD-CD1 4.08Å; M177-F322 HydrophobicContact SD-CE1 3.73Å; I268-F322 HydrophobicContact CD1-CB 3.81Å; F318-F322 AromaticContact CD2-CD2 3.28Å; F318-F322 HydrophobicContact CD2-CD2 3.28Å; F318-F322 AromaticContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CE2 3.64Å; F318-F322 HydrophobicContact CD2-CG 4.2Å; F318-F322 HydrophobicContact CE2-CB 4.03Å; F318-F322 HydrophobicContact CE2-CD1 4.45Å; F318-F322 AromaticContact CE2-CD2 3.08Å; F318-F322 HydrophobicContact CE2-CD2 3.08Å; F318-F322 AromaticContact CE2-CE2 3.54Å; F318-F322 HydrophobicContact CE2-CE2 3.54Å; F318-F322 AromaticContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CG 3.6Å; F318-F322 HydrophobicContact CE2-CZ 4.41Å; F318-F322 HydrophobicContact CG-CD2 4.3Å; F318-F322 HydrophobicContact CZ-CB 4.14Å; F318-F322 HydrophobicContact CZ-CD2 4.04Å; F318-F322 HydrophobicContact CZ-CG 4.16Å; F318-F322 WeakPolarHBondContact O-CD2 3.27Å; F318-F322 PolarHBondContact O-N 3.33Å; W319-F322 PolarHBondContact O-N 2.93Å; F322-F325 WeakPolarHBondContact O-CB 3.2Å; F322-F325 PolarHBondContact O-N 2.98Å; F322-W326 VanDerWaalsContact O-CD1 3.22Å; F322-W326 PolarHBondContact O-N 3.28Å; F322-T357 HydrophobicContact CD1-CG2 3.52Å; F322-T357 HydrophobicContact CE1-CG2 3.57Å; F322-T357 HydrophobicContact CG-CG2 4.22Å; F322-T357 HydrophobicContact CZ-CG2 4.34Å; F322-N360 HydrophobicContact CD2-CB 4.43Å; F322-N360 HydrophobicContact CE2-CB 3.65Å; F322-N360 HydrophobicContact CZ-CB 4.4Å
323L87.9Confident81.5Confident58 Ų5839.5 Ų39.530%0.30421%0.212SC..Hα-helixtrans-60.8-40.6-178.6-178.7142.2000113W319 F325 W326 I327W319-L323 HydrophobicContact CE3-CD1 3.68Å; W319-L323 HydrophobicContact CZ3-CD1 3.98Å; W319-L323 WeakPolarHBondContact O-CB 2.84Å; W319-L323 PolarHBondContact O-N 3.13Å; L323-F325 VanDerWaalsContact C-N 3.35Å; L323-F325 PolarHBondContact O-N 3.42Å; L323-W326 PolarHBondContact O-N 2.86Å; L323-I327 HydrophobicContact CD2-CD1 3.42Å; L323-I327 VanDerWaalsContact CD2-CD1 3.42Å; L323-I327 HydrophobicContact CD2-CG1 4.33Å; L323-I327 HydrophobicContact CG-CD1 3.85Å; L323-I327 HydrophobicContact CG-CG1 4.33Å; L323-I327 WeakPolarHBondContact O-CB 3.35Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2Å
324P87Confident81.3Confident47 Ų4742.8 Ų42.831%0.30522%0.218SC..Hα-helixtrans-61.2-41174.7-25.436.9000113A320 W328 V353 L356A320-P324 WeakPolarHBondContact O-CD 2.97Å; A320-P324 WeakPolarHBondContact O-CG 3Å; P324-W328 VanDerWaalsContact O-CB 3.24Å; P324-W328 WeakPolarHBondContact O-CB 3.21Å; P324-W328 PolarHBondContact O-N 3.36Å; P324-V353 HydrophobicContact CB-CG1 4.13Å; P324-L356 HydrophobicContact CB-CD2 4.27Å; P324-L356 HydrophobicContact CG-CD2 3.88Å
325F83.2Confident81.2Confident22 Ų2247 Ų4710%0.09624%0.238CC..Hα-helixtrans-61.1-53.7175.1174.5-92.1000111.1F322 L323 I327 W328 Q329 V353 T357F322-F325 WeakPolarHBondContact O-CB 3.2Å; F322-F325 PolarHBondContact O-N 2.98Å; L323-F325 VanDerWaalsContact C-N 3.35Å; L323-F325 PolarHBondContact O-N 3.42Å; F325-I327 PolarHBondContact O-N 3Å; F325-W328 PolarHBondContact O-N 3.16Å; F325-W328 VanDerWaalsContact O-N 3.17Å; F325-Q329 HydrophobicContact CD1-CG 4.27Å; F325-Q329 HydrophobicContact CD2-CG 4.49Å; F325-Q329 HydrophobicContact CE1-CG 3.92Å; F325-Q329 HydrophobicContact CE2-CG 4.16Å; F325-Q329 HydrophobicContact CZ-CG 3.85Å; F325-Q329 WeakPolarHBondContact O-CG 3.49Å; F325-Q329 PolarHBondContact O-N 3.47Å; F325-V353 HydrophobicContact CB-CB 4.13Å; F325-V353 HydrophobicContact CB-CG2 4.47Å; F325-V353 HydrophobicContact CD2-CB 4.44Å; F325-V353 HydrophobicContact CD2-CG2 3.98Å; F325-T357 HydrophobicContact CB-CG2 3.68Å; F325-T357 HydrophobicContact CD1-CG2 4.38Å; F325-T357 HydrophobicContact CD2-CG2 4.17Å; F325-T357 HydrophobicContact CG-CG2 3.84Å
326W83.3Confident80.4Confident3 Ų354.1 Ų54.11%0.01128%0.275CS..Hα-helixtrans-63.4-41-177.7-78.9104000113.5M177 L260 L263 F264 I268 F322 L323 W328 Q329 L330M177-W326 HydrophobicContact CE-CZ2 3.76Å; M177-W326 HydrophobicContact SD-CZ2 4.24Å; L260-W326 HydrophobicContact CD2-CZ3 4.15Å; L263-W326 HydrophobicContact CB-CH2 3.49Å; L263-W326 VanDerWaalsContact CB-CH2 3.49Å; L263-W326 HydrophobicContact CB-CZ2 4.45Å; L263-W326 HydrophobicContact CB-CZ3 3.85Å; L263-W326 HydrophobicContact CD1-CH2 3.98Å; L263-W326 HydrophobicContact CG-CH2 4.43Å; F264-W326 HydrophobicContact CB-CD2 4.44Å; F264-W326 HydrophobicContact CB-CE3 3.89Å; F264-W326 HydrophobicContact CB-CZ3 4.32Å; F264-W326 HydrophobicContact CD2-CB 3.6Å; F264-W326 HydrophobicContact CD2-CD2 4.18Å; F264-W326 HydrophobicContact CD2-CE3 4.33Å; F264-W326 AromaticContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CD2-CG 3.88Å; F264-W326 HydrophobicContact CE2-CB 3.92Å; I268-W326 VanDerWaalsContact CD1-CD1 3.47Å; I268-W326 HydrophobicContact CD1-CG 4.38Å; I268-W326 HydrophobicContact CG1-CB 4.45Å; I268-W326 HydrophobicContact CG1-CD2 4.45Å; I268-W326 HydrophobicContact CG1-CG 3.85Å; F322-W326 VanDerWaalsContact O-CD1 3.22Å; F322-W326 PolarHBondContact O-N 3.28Å; L323-W326 PolarHBondContact O-N 2.86Å; W326-W328 VanDerWaalsContact C-N 3.33Å; W326-W328 PolarHBondContact O-N 2.72Å; W326-Q329 PolarHBondContact O-N 2.85Å; W326-L330 WeakPolarHBondContact O-CB 2.96Å; W326-L330 VanDerWaalsContact O-CG 3.3Å; W326-L330 WeakPolarHBondContact O-CG 3.2Å; W326-L330 PolarHBondContact O-N 3.16Å
327I84.6Confident79.3Confident87 Ų8757 Ų5745%0.44628%0.284SS..Hα-helixtrans-61.5-44.9174.5-70.9178.9000110.2L323 F325 Q329 L330 F331L323-I327 HydrophobicContact CD2-CD1 3.42Å; L323-I327 VanDerWaalsContact CD2-CD1 3.42Å; L323-I327 HydrophobicContact CD2-CG1 4.33Å; L323-I327 HydrophobicContact CG-CD1 3.85Å; L323-I327 HydrophobicContact CG-CG1 4.33Å; L323-I327 WeakPolarHBondContact O-CB 3.35Å; L323-I327 WeakPolarHBondContact O-CG1 3.36Å; L323-I327 PolarHBondContact O-N 2Å; F325-I327 PolarHBondContact O-N 3Å; I327-Q329 VanDerWaalsContact C-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.47Å; I327-L330 PolarHBondContact O-N 3Å; I327-F331 VanDerWaalsContact O-CB 3.26Å; I327-F331 WeakPolarHBondContact O-CB 2.74Å; I327-F331 PolarHBondContact O-N 2.96Å
328W81.6Confident78Confident42 Ų4260.6 Ų60.616%0.15931%0.308CS..Hα-helixtrans-63.2-37.6179.3-178-107.5000113.1P324 F325 W326 P332 L341 R346 I349 N350 V353P324-W328 VanDerWaalsContact O-CB 3.24Å; P324-W328 WeakPolarHBondContact O-CB 3.21Å; P324-W328 PolarHBondContact O-N 3.36Å; F325-W328 PolarHBondContact O-N 3.16Å; F325-W328 VanDerWaalsContact O-N 3.17Å; W326-W328 VanDerWaalsContact C-N 3.33Å; W326-W328 PolarHBondContact O-N 2.72Å; W328-P332 WeakPolarHBondContact O-CD 3.03Å; W328-L341 HydrophobicContact CH2-CD2 4.42Å; W328-R346 HydrophobicContact CH2-CG 4.41Å; W328-R346 HydrophobicContact CZ2-CG 3.94Å; W328-I349 HydrophobicContact CD2-CG2 3.61Å; W328-I349 HydrophobicContact CE3-CG2 3.74Å; W328-I349 HydrophobicContact CG-CG2 4.27Å; W328-I349 HydrophobicContact CH2-CB 4Å; W328-I349 HydrophobicContact CH2-CD1 3.7Å; W328-I349 HydrophobicContact CH2-CG1 4.47Å; W328-I349 HydrophobicContact CH2-CG2 3.75Å; W328-I349 HydrophobicContact CZ2-CB 3.84Å; W328-I349 HydrophobicContact CZ2-CD1 4.39Å; W328-I349 HydrophobicContact CZ2-CG2 3.63Å; W328-I349 HydrophobicContact CZ3-CD1 4.04Å; W328-I349 HydrophobicContact CZ3-CG2 3.81Å; W328-N350 PolarHBondContact NE1-OD1 3.08Å; W328-V353 HydrophobicContact CB-CG1 4.47Å; W328-V353 HydrophobicContact CG-CG2 4.48Å
329Q75.9Confident76.8Confident15 Ų1563.6 Ų63.67%0.0732%0.324CS..Hα-helixtrans-72.9-35.3175.3-59.2-53-8.800113.4F325 W326 I327F325-Q329 HydrophobicContact CD1-CG 4.27Å; F325-Q329 HydrophobicContact CD2-CG 4.49Å; F325-Q329 HydrophobicContact CE1-CG 3.92Å; F325-Q329 HydrophobicContact CE2-CG 4.16Å; F325-Q329 HydrophobicContact CZ-CG 3.85Å; F325-Q329 WeakPolarHBondContact O-CG 3.49Å; F325-Q329 PolarHBondContact O-N 3.47Å; W326-Q329 PolarHBondContact O-N 2.85Å; I327-Q329 VanDerWaalsContact C-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.47Å
330L75.3Confident75.7Confident21 Ų2165.3 Ų65.311%0.1135%0.349CS..Hα-helixtrans-78.4-35.7179.3-69.7174.9000113.2L260 F264 W326 I327 L333 Y334L260-L330 HydrophobicContact CB-CD2 4.09Å; F264-L330 HydrophobicContact CB-CD1 3.79Å; F264-L330 HydrophobicContact CD1-CD1 3.68Å; F264-L330 HydrophobicContact CD2-CD1 3.96Å; F264-L330 HydrophobicContact CE1-CD1 4.22Å; F264-L330 HydrophobicContact CE2-CD1 4.45Å; F264-L330 HydrophobicContact CG-CD1 3.53Å; W326-L330 WeakPolarHBondContact O-CB 2.96Å; W326-L330 VanDerWaalsContact O-CG 3.3Å; W326-L330 WeakPolarHBondContact O-CG 3.2Å; W326-L330 PolarHBondContact O-N 3.16Å; I327-L330 PolarHBondContact O-N 3Å; L330-L333 HydrophobicContact CD2-CD1 4.28Å; L330-L333 WeakPolarHBondContact O-CB 3.3Å; L330-L333 PolarHBondContact O-N 2.59Å; L330-Y334 HydrophobicContact CD2-CE2 4.42Å; L330-Y334 WeakPolarHBondContact O-CD2 3.41Å; L330-Y334 PolarHBondContact O-N 2.98Å
331F79.3Confident74.6Confident81 Ų8165.3 Ų65.336%0.35534%0.341SS..Hα-helixtrans-46.5-52.4-176.6-176.4-91.7000114.3I327 L333 Y334 H335 L339I327-F331 VanDerWaalsContact O-CB 3.26Å; I327-F331 WeakPolarHBondContact O-CB 2.74Å; I327-F331 PolarHBondContact O-N 2.96Å; F331-L333 PolarHBondContact O-N 2.71Å; F331-Y334 PolarHBondContact O-N 2.88Å; F331-H335 HydrophobicContact CE1-CB 4.24Å; F331-H335 HydrophobicContact CZ-CB 4.29Å; F331-H335 WeakPolarHBondContact O-CB 3.29Å; F331-H335 PolarHBondContact O-N 2.8Å; F331-L339 HydrophobicContact CE1-CB 4.44Å; F331-L339 HydrophobicContact CE1-CD1 4.43Å; F331-L339 HydrophobicContact CE1-CD2 4.16Å; F331-L339 HydrophobicContact CZ-CD1 4.44Å
332P70Confident73.8Confident54 Ų5467.9 Ų67.935%0.35136%0.362SS..Hα-helixtrans-68.9-15.1179.929.1-37000114.6W328W328-P332 WeakPolarHBondContact O-CD 3.03Å
333L70.5Confident72.9Confident39 Ų3971.5 Ų71.520%0.20439%0.388CS..Hα-helixtrans-84.7-19.7178.3-53.5170.5000112.2Y256 K257 L260 L330 F331Y256-L333 HydrophobicContact CD1-CD2 4.09Å; Y256-L333 HydrophobicContact CE1-CD2 4.2Å; K257-L333 HydrophobicContact CD-CB 4.31Å; K257-L333 WeakPolarHBondContact CD-O 3.4Å; K257-L333 VanDerWaalsContact CE-O 3.22Å; K257-L333 WeakPolarHBondContact CE-O 3.29Å; K257-L333 HydrophobicContact CG-CB 4.15Å; K257-L333 PolarHBondContact NZ-O 2.83Å; L260-L333 HydrophobicContact CB-CD1 4.16Å; L260-L333 HydrophobicContact CD1-CD1 3.49Å; L260-L333 VanDerWaalsContact CD1-CD1 3.49Å; L260-L333 HydrophobicContact CG-CD1 4.45Å; L330-L333 HydrophobicContact CD2-CD1 4.28Å; L330-L333 WeakPolarHBondContact O-CB 3.3Å; L330-L333 PolarHBondContact O-N 2.59Å; F331-L333 PolarHBondContact O-N 2.71Å
334Y76.1Confident71.8Confident128 Ų12871 Ų7150%0.50239%0.386SS..Hα-helixtrans-110.8-17.5-179.3-74.8-91.3000113.1K257 T261 L330 F331K257-Y334 HydrophobicContact CG-CE2 4.28Å; T261-Y334 WeakPolarHBondContact CG2-OH 3.29Å; T261-Y334 PolarHBondContact OG1-OH 3.33Å; L330-Y334 HydrophobicContact CD2-CE2 4.42Å; L330-Y334 WeakPolarHBondContact O-CD2 3.41Å; L330-Y334 PolarHBondContact O-N 2.98Å; F331-Y334 PolarHBondContact O-N 2.88Å
335H73.9Confident71Confident87 Ų8772.1 Ų72.140%0.40339%0.392SS..  trans-105.5106.8176.7-153.871.4000111.9F331 K337F331-H335 HydrophobicContact CE1-CB 4.24Å; F331-H335 HydrophobicContact CZ-CB 4.29Å; F331-H335 WeakPolarHBondContact O-CB 3.29Å; F331-H335 PolarHBondContact O-N 2.8Å; H335-K337 PolarHBondContact CD2-O 3.2Å; H335-K337 PolarHBondContact O-N 2.97Å
336N60.1Low70.1Confident158 Ų15872 Ų7285%0.84539%0.39SS*.  trans-71-13.1-174.7-62.2-17.8000114.3
337K60.2Low69.3Low158 Ų15872.6 Ų72.669%0.68740%0.395SS*.SBendtrans-89.7125.8174.7-65.6-174.2177.8-176.20109.3H335 L339H335-K337 PolarHBondContact CD2-O 3.2Å; H335-K337 PolarHBondContact O-N 2.97Å; K337-L339 PolarHBondContact O-N 2.94Å; K337-L339 VanDerWaalsContact O-N 3.07Å
338P59.1Low68.6Low106 Ų10671 Ų7169%0.68839%0.391SS*.  trans-64.5115172.127-32.5000108.6S340P338-S340 PolarHBondContact O-N 3Å
339L60Low68.1Low69 Ų6971.3 Ų71.336%0.36140%0.395SS..  trans-60.8112.8174.3-157.574.8000108R54 F331 K337 L341R54-L339 PolarHBondContact NH2-O 3.01Å; F331-L339 HydrophobicContact CE1-CB 4.44Å; F331-L339 HydrophobicContact CE1-CD1 4.43Å; F331-L339 HydrophobicContact CE1-CD2 4.16Å; F331-L339 HydrophobicContact CZ-CD1 4.44Å; K337-L339 PolarHBondContact O-N 2.94Å; K337-L339 VanDerWaalsContact O-N 3.07Å; L339-L341 HydrophobicContact CD2-CD1 3.96Å; L339-L341 HydrophobicContact CG-CD1 4.17Å; L339-L341 PolarHBondContact O-N 3.41Å
340S61Low67.9Low124 Ų12470.7 Ų70.787%0.86739%0.392SS*.  trans-76.954.2-172.960.90000112.3P338P338-S340 PolarHBondContact O-N 3Å
341L65.4Low67.7Low62 Ų6270.8 Ų70.833%0.32539%0.391SS..  trans-77.7143.1169.4-111.864.6000109.6W328 L339 T345 I349W328-L341 HydrophobicContact CH2-CD2 4.42Å; L339-L341 HydrophobicContact CD2-CD1 3.96Å; L339-L341 HydrophobicContact CG-CD1 4.17Å; L339-L341 PolarHBondContact O-N 3.41Å; L341-T345 HydrophobicContact CD2-CG2 3.77Å; L341-T345 HydrophobicContact CG-CG2 4.08Å; L341-I349 HydrophobicContact CD2-CD1 3.66Å
342A70.9Confident67.6Low60 Ų6072 Ų7250%0.49640%0.401SS..  trans-55.7146.7166.700000110.7N344 T345 R346A342-N344 PolarHBondContact O-N 2.83Å; A342-T345 PolarHBondContact O-N 3.3Å; A342-R346 PolarHBondContact O-N 2.68Å
343S65.1Low68.1Low80 Ų8070 Ų7056%0.55939%0.388SS*.Hα-helixtrans-49.1-49178.144.10000111.4T345 R346 T347S343-T345 PolarHBondContact O-N 3.05Å; S343-R346 PolarHBondContact O-N 3.46Å; S343-T347 VanDerWaalsContact O-CB 3.29Å; S343-T347 WeakPolarHBondContact O-CB 3.35Å; S343-T347 PolarHBondContact O-N 3.44Å; S343-T347 PolarHBondContact O-OG1 3.49Å; S343-T347 VanDerWaalsContact O-OG1 3.08Å
344N64.6Low68.3Low48 Ų4868.2 Ų68.226%0.25738%0.378SS..Hα-helixtrans-65-40.6-173.7-54.717.2000110.9A342 T347 C348A342-N344 PolarHBondContact O-N 2.83Å; N344-T347 PolarHBondContact O-N 3.24Å; N344-C348 VanDerWaalsContact O-CB 3.28Å; N344-C348 WeakPolarHBondContact O-CB 3.49Å; N344-C348 PolarHBondContact O-N 3.5Å
345T70Confident68.6Low70 Ų7062.5 Ų62.543%0.42936%0.357SS..Hα-helixtrans-64.7-45.1174.8-45.50000111.5L341 A342 S343 T347 C348 I349L341-T345 HydrophobicContact CD2-CG2 3.77Å; L341-T345 HydrophobicContact CG-CG2 4.08Å; A342-T345 PolarHBondContact O-N 3.3Å; S343-T345 PolarHBondContact O-N 3.05Å; T345-T347 VanDerWaalsContact C-N 3.34Å; T345-T347 PolarHBondContact O-N 3.43Å; T345-C348 PolarHBondContact O-N 2.94Å; T345-I349 HydrophobicContact CG2-CD1 4.25Å; T345-I349 WeakPolarHBondContact O-CG1 3.43Å; T345-I349 PolarHBondContact O-N 3.44Å
346R65.6Low69.1Low19 Ų1961.4 Ų61.47%0.07235%0.354CS..Hα-helixtrans-63.4-42178.1-172.1-172.5174.4-148.4-14111.3L50 L51 R54 N55 W328 A342 S343 N350L50-R346 PolarHBondContact O-NH2 3.15Å; L51-R346 HydrophobicContact CD2-CG 3.8Å; L51-R346 VanDerWaalsContact CD2-CZ 3.5Å; L51-R346 PolarHBondContact O-NH1 3.41Å; R54-R346 VanDerWaalsContact CD-CZ 3.47Å; N55-R346 PolarHBondContact OD1-NH1 3.07Å; W328-R346 HydrophobicContact CH2-CG 4.41Å; W328-R346 HydrophobicContact CZ2-CG 3.94Å; A342-R346 PolarHBondContact O-N 2.68Å; S343-R346 PolarHBondContact O-N 3.46Å; R346-N350 PolarHBondContact O-N 3.26Å; R346-N350 PolarHBondContact O-ND2 3.41Å
347T66.3Low70.3Confident17 Ų1754 Ų5410%0.10431%0.314CS..Hα-helixtrans-63.1-47175.6-71.10000111.3S343 N344 T345 I349 N350 Y351S343-T347 VanDerWaalsContact O-CB 3.29Å; S343-T347 WeakPolarHBondContact O-CB 3.35Å; S343-T347 PolarHBondContact O-N 3.44Å; S343-T347 PolarHBondContact O-OG1 3.49Å; S343-T347 VanDerWaalsContact O-OG1 3.08Å; N344-T347 PolarHBondContact O-N 3.24Å; T345-T347 VanDerWaalsContact C-N 3.34Å; T345-T347 PolarHBondContact O-N 3.43Å; T347-I349 PolarHBondContact O-N 3.02Å; T347-N350 WeakPolarHBondContact O-CB 3.23Å; T347-N350 PolarHBondContact O-N 2.98Å; T347-Y351 HydrophobicContact CG2-CD2 3.97Å; T347-Y351 HydrophobicContact CG2-CE2 3.19Å; T347-Y351 VanDerWaalsContact O-CD2 3.31Å; T347-Y351 WeakPolarHBondContact O-CD2 3.36Å; T347-Y351 PolarHBondContact O-N 2.84Å; T347-Y351 VanDerWaalsContact O-N 3.12Å
348C69.6Low71.5Confident53 Ų5346.4 Ų46.436%0.35828%0.281SS..Hα-helixtrans-57.7-46.3174.5-177.20000112.6N344 T345 N350 Y351 L352N344-C348 VanDerWaalsContact O-CB 3.28Å; N344-C348 WeakPolarHBondContact O-CB 3.49Å; N344-C348 PolarHBondContact O-N 3.5Å; T345-C348 PolarHBondContact O-N 2.94Å; C348-N350 VanDerWaalsContact C-N 3.35Å; C348-N350 PolarHBondContact O-N 3.04Å; C348-Y351 PolarHBondContact O-N 2.86Å; C348-Y351 VanDerWaalsContact O-N 3.13Å; C348-L352 WeakPolarHBondContact O-CG 3.29Å; C348-L352 PolarHBondContact O-N 3.49Å
349I72.3Confident72.8Confident49 Ų4943.3 Ų43.325%0.25126%0.26SS..Hα-helixtrans-60.5-43.3177.9-65.6163.9000111.3W328 L341 T345 T347 Y351 L352 V353W328-I349 HydrophobicContact CD2-CG2 3.61Å; W328-I349 HydrophobicContact CE3-CG2 3.74Å; W328-I349 HydrophobicContact CG-CG2 4.27Å; W328-I349 HydrophobicContact CH2-CB 4Å; W328-I349 HydrophobicContact CH2-CD1 3.7Å; W328-I349 HydrophobicContact CH2-CG1 4.47Å; W328-I349 HydrophobicContact CH2-CG2 3.75Å; W328-I349 HydrophobicContact CZ2-CB 3.84Å; W328-I349 HydrophobicContact CZ2-CD1 4.39Å; W328-I349 HydrophobicContact CZ2-CG2 3.63Å; W328-I349 HydrophobicContact CZ3-CD1 4.04Å; W328-I349 HydrophobicContact CZ3-CG2 3.81Å; L341-I349 HydrophobicContact CD2-CD1 3.66Å; T345-I349 HydrophobicContact CG2-CD1 4.25Å; T345-I349 WeakPolarHBondContact O-CG1 3.43Å; T345-I349 PolarHBondContact O-N 3.44Å; T347-I349 PolarHBondContact O-N 3.02Å; I349-Y351 VanDerWaalsContact C-N 3.3Å; I349-Y351 PolarHBondContact O-N 3.38Å; I349-L352 PolarHBondContact O-N 3.04Å; I349-V353 HydrophobicContact CG2-CG1 4.42Å; I349-V353 WeakPolarHBondContact O-CG2 3.21Å; I349-V353 PolarHBondContact O-N 3.26Å
350N70.7Confident74.1Confident2 Ų240.3 Ų40.31%0.01125%0.245CC..Hα-helixtrans-57.1-42.2175-77.6-59.4000112.5N47 L51 W328 R346 T347 C348 V353 A354N47-N350 HydrophobicContact CB-CB 4.29Å; N47-N350 PolarHBondContact ND2-O 3.19Å; L51-N350 WeakPolarHBondContact CD2-ND2 3.23Å; L51-N350 WeakPolarHBondContact CG-ND2 3.4Å; W328-N350 PolarHBondContact NE1-OD1 3.08Å; R346-N350 PolarHBondContact O-N 3.26Å; R346-N350 PolarHBondContact O-ND2 3.41Å; T347-N350 WeakPolarHBondContact O-CB 3.23Å; T347-N350 PolarHBondContact O-N 2.98Å; C348-N350 VanDerWaalsContact C-N 3.35Å; C348-N350 PolarHBondContact O-N 3.04Å; N350-V353 WeakPolarHBondContact O-CG2 3.37Å; N350-A354 WeakPolarHBondContact O-CB 3.02Å; N350-A354 PolarHBondContact O-N 2.87Å
351Y71.6Confident75.3Confident23 Ų2334.5 Ų34.59%0.0920%0.204CC..Hα-helixtrans-68.1-40.8177.7-64.9-37000112.8I93 F97 Y154 T347 C348 I349 A354 C355I93-Y351 HydrophobicContact CG2-CD2 3.91Å; I93-Y351 HydrophobicContact CG2-CE2 3.76Å; F97-Y351 AromaticContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CD1 3.96Å; F97-Y351 HydrophobicContact CD1-CE1 4.21Å; F97-Y351 HydrophobicContact CD1-CG 4.36Å; F97-Y351 HydrophobicContact CD2-CD1 4.07Å; F97-Y351 AromaticContact CD2-CG 3.9Å; F97-Y351 HydrophobicContact CD2-CG 3.9Å; F97-Y351 AromaticContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CD1 3.7Å; F97-Y351 HydrophobicContact CE1-CE1 4.02Å; F97-Y351 HydrophobicContact CE1-CG 4.45Å; F97-Y351 AromaticContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CD1 3.83Å; F97-Y351 HydrophobicContact CE2-CG 4.01Å; F97-Y351 HydrophobicContact CG-CD1 4.12Å; F97-Y351 HydrophobicContact CG-CG 4.06Å; F97-Y351 AromaticContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CD1 3.61Å; F97-Y351 HydrophobicContact CZ-CE1 4.35Å; F97-Y351 HydrophobicContact CZ-CG 4.26Å; Y154-Y351 HydrophobicContact CE1-CE2 4.47Å; Y154-Y351 AromaticContact CE2-CZ 3.86Å; Y154-Y351 WeakPolarHBondContact CE2-OH 3.43Å; Y154-Y351 AromaticContact CZ-CE2 3.87Å; Y154-Y351 AromaticContact CZ-CZ 3.53Å; Y154-Y351 VanDerWaalsContact OH-CE2 3.24Å; Y154-Y351 WeakPolarHBondContact OH-CE2 3.06Å; Y154-Y351 PolarHBondContact OH-OH 3.46Å; T347-Y351 HydrophobicContact CG2-CD2 3.97Å; T347-Y351 HydrophobicContact CG2-CE2 3.19Å; T347-Y351 VanDerWaalsContact O-CD2 3.31Å; T347-Y351 WeakPolarHBondContact O-CD2 3.36Å; T347-Y351 PolarHBondContact O-N 2.84Å; T347-Y351 VanDerWaalsContact O-N 3.12Å; C348-Y351 PolarHBondContact O-N 2.86Å; C348-Y351 VanDerWaalsContact O-N 3.13Å; I349-Y351 VanDerWaalsContact C-N 3.3Å; I349-Y351 PolarHBondContact O-N 3.38Å; Y351-A354 PolarHBondContact O-N 2.84Å; Y351-C355 WeakPolarHBondContact O-CB 3.48Å; Y351-C355 PolarHBondContact O-N 2.82Å
352L77.3Confident76.4Confident107 Ų10732 Ų3256%0.5619%0.191SC*.Hα-helixtrans-63.2-49.1177-69.6173.2000111.1C348 I349 A354 C355 L356C348-L352 WeakPolarHBondContact O-CG 3.29Å; C348-L352 PolarHBondContact O-N 3.49Å; I349-L352 PolarHBondContact O-N 3.04Å; L352-A354 VanDerWaalsContact C-N 3.31Å; L352-A354 PolarHBondContact O-N 3.42Å; L352-C355 PolarHBondContact O-N 2.72Å; L352-L356 WeakPolarHBondContact O-CB 3.29Å; L352-L356 PolarHBondContact O-N 3.47Å
353V79.4Confident77.1Confident12 Ų1231.5 Ų31.57%0.07318%0.18CC..Hα-helixtrans-66.6-32179.1-58.80000112.7P324 F325 W328 I349 N350 L356 T357P324-V353 HydrophobicContact CB-CG1 4.13Å; F325-V353 HydrophobicContact CB-CB 4.13Å; F325-V353 HydrophobicContact CB-CG2 4.47Å; F325-V353 HydrophobicContact CD2-CB 4.44Å; F325-V353 HydrophobicContact CD2-CG2 3.98Å; W328-V353 HydrophobicContact CB-CG1 4.47Å; W328-V353 HydrophobicContact CG-CG2 4.48Å; I349-V353 HydrophobicContact CG2-CG1 4.42Å; I349-V353 WeakPolarHBondContact O-CG2 3.21Å; I349-V353 PolarHBondContact O-N 3.26Å; N350-V353 WeakPolarHBondContact O-CG2 3.37Å; V353-L356 PolarHBondContact O-N 3.2Å; V353-T357 PolarHBondContact O-N 3.16Å
354A75.6Confident77.9Confident0 Ų027.9 Ų27.90%015%0.154CC..Hα-helixtrans-70.4-45.5174.600000113.4F43 N350 Y351 L352 L356 T357 Y358F43-A354 HydrophobicContact CE1-CB 3.57Å; F43-A354 HydrophobicContact CZ-CB 4.12Å; N350-A354 WeakPolarHBondContact O-CB 3.02Å; N350-A354 PolarHBondContact O-N 2.87Å; Y351-A354 PolarHBondContact O-N 2.84Å; L352-A354 VanDerWaalsContact C-N 3.31Å; L352-A354 PolarHBondContact O-N 3.42Å; A354-L356 PolarHBondContact O-N 2.9Å; A354-T357 PolarHBondContact O-N 3.13Å; A354-T357 PolarHBondContact O-OG1 3.02Å; A354-Y358 VanDerWaalsContact O-CD2 3.27Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 2.7Å
355C82Confident78.8Confident9 Ų925.8 Ų25.86%0.06114%0.143CC..Hα-helixtrans-60.7-33.1175-174.40000111.1L100 Y351 L352 Y358 T359L100-C355 HydrophobicContact CD2-CB 4.17Å; L100-C355 WeakPolarHBondContact CD2-SG 3.34Å; L100-C355 VanDerWaalsContact CG-SG 3.54Å; Y351-C355 WeakPolarHBondContact O-CB 3.48Å; Y351-C355 PolarHBondContact O-N 2.82Å; L352-C355 PolarHBondContact O-N 2.72Å; C355-Y358 PolarHBondContact O-N 3.13Å; C355-T359 WeakPolarHBondContact O-CB 3.28Å; C355-T359 PolarHBondContact O-N 3.22Å; C355-T359 PolarHBondContact O-OG1 3.2Å
356L85Confident79.2Confident64 Ų6428.2 Ų28.234%0.33515%0.148SC..Hα-helixtrans-67.6-39.7179.4-155.772.6000112.5A320 C321 P324 L352 V353 A354 T359A320-L356 VanDerWaalsContact O-CD2 3.25Å; A320-L356 WeakPolarHBondContact O-CD2 2.83Å; C321-L356 HydrophobicContact CB-CG 4.39Å; C321-L356 WeakPolarHBondContact CB-O 3.05Å; P324-L356 HydrophobicContact CB-CD2 4.27Å; P324-L356 HydrophobicContact CG-CD2 3.88Å; L352-L356 WeakPolarHBondContact O-CB 3.29Å; L352-L356 PolarHBondContact O-N 3.47Å; V353-L356 PolarHBondContact O-N 3.2Å; A354-L356 PolarHBondContact O-N 2.9Å; L356-T359 PolarHBondContact O-N 3.28Å
357T84.5Confident79.5Confident1 Ų128 Ų281%0.00615%0.149CC..Hα-helixtrans-64.9-42.517459.40000111.9Y143 F322 F325 V353 A354 T359 N360Y143-T357 WeakPolarHBondContact OH-CB 3.37Å; Y143-T357 PolarHBondContact OH-OG1 3.01Å; F322-T357 HydrophobicContact CD1-CG2 3.52Å; F322-T357 HydrophobicContact CE1-CG2 3.57Å; F322-T357 HydrophobicContact CG-CG2 4.22Å; F322-T357 HydrophobicContact CZ-CG2 4.34Å; F325-T357 HydrophobicContact CB-CG2 3.68Å; F325-T357 HydrophobicContact CD1-CG2 4.38Å; F325-T357 HydrophobicContact CD2-CG2 4.17Å; F325-T357 HydrophobicContact CG-CG2 3.84Å; V353-T357 PolarHBondContact O-N 3.16Å; A354-T357 PolarHBondContact O-N 3.13Å; A354-T357 PolarHBondContact O-OG1 3.02Å; T357-T359 VanDerWaalsContact C-N 3.3Å; T357-T359 PolarHBondContact O-N 3.21Å; T357-N360 VanDerWaalsContact O-CB 3.32Å; T357-N360 WeakPolarHBondContact O-CB 3.34Å; T357-N360 PolarHBondContact O-N 3.4Å
358Y85.3Confident79.8Confident0 Ų027.5 Ų27.50%015%0.145CC..Hα-helixtrans-63-34.2174.8-74.2-58.7000113.8F43 L101 Y143 T146 I147 V150 A354 C355 N360 S361F43-Y358 WeakPolarHBondContact CB-OH 3.35Å; F43-Y358 HydrophobicContact CD1-CE2 4.08Å; F43-Y358 HydrophobicContact CD2-CE2 4.1Å; F43-Y358 AromaticContact CD2-CZ 3.7Å; F43-Y358 WeakPolarHBondContact CD2-OH 3.48Å; F43-Y358 HydrophobicContact CE1-CE2 4.16Å; F43-Y358 HydrophobicContact CE2-CE2 4.13Å; F43-Y358 AromaticContact CE2-CZ 3.95Å; F43-Y358 HydrophobicContact CG-CE2 4.07Å; F43-Y358 AromaticContact CG-CZ 3.95Å; F43-Y358 WeakPolarHBondContact CG-OH 3.49Å; F43-Y358 HydrophobicContact CZ-CE2 4.16Å; L101-Y358 HydrophobicContact CD2-CD2 3.74Å; L101-Y358 HydrophobicContact CD2-CE2 4.22Å; Y143-Y358 AromaticContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CD1 3.89Å; Y143-Y358 HydrophobicContact CD1-CE1 4.24Å; Y143-Y358 HydrophobicContact CD2-CE1 4.29Å; Y143-Y358 AromaticContact CE1-CD1 3.39Å; Y143-Y358 HydrophobicContact CE1-CD1 3.39Å; Y143-Y358 AromaticContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CE1 3.86Å; Y143-Y358 HydrophobicContact CE1-CG 4.23Å; Y143-Y358 HydrophobicContact CE2-CD1 4.28Å; Y143-Y358 AromaticContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CE2-CE1 3.9Å; Y143-Y358 HydrophobicContact CG-CE1 4.43Å; Y143-Y358 AromaticContact CZ-CD1 3.58Å; Y143-Y358 AromaticContact CZ-CE1 3.63Å; T146-Y358 PolarHBondContact O-OH 3.38Å; T146-Y358 WeakPolarHBondContact OG1-CE1 3.46Å; T146-Y358 PolarHBondContact OG1-OH 3.48Å; I147-Y358 HydrophobicContact CD1-CD1 3.61Å; I147-Y358 HydrophobicContact CD1-CD2 4.45Å; I147-Y358 HydrophobicContact CD1-CE1 4.06Å; I147-Y358 HydrophobicContact CD1-CG 3.81Å; I147-Y358 HydrophobicContact CG1-CD1 3.63Å; I147-Y358 HydrophobicContact CG1-CD2 4.36Å; I147-Y358 HydrophobicContact CG1-CE1 3.52Å; I147-Y358 HydrophobicContact CG1-CE2 4.24Å; I147-Y358 HydrophobicContact CG1-CG 4.04Å; V150-Y358 HydrophobicContact CG2-CE2 4.2Å; A354-Y358 VanDerWaalsContact O-CD2 3.27Å; A354-Y358 WeakPolarHBondContact O-CD2 3.31Å; A354-Y358 PolarHBondContact O-N 2.7Å; C355-Y358 PolarHBondContact O-N 3.13Å; Y358-N360 PolarHBondContact O-N 3.08Å; Y358-S361 PolarHBondContact O-N 3.14Å
359T87Confident79.9Confident41 Ų4127.2 Ų27.225%0.25214%0.141SC..Hα-helixtrans-62.8-27.7179.2-59.10000112.5C355 L356 T357 S361 C362 I363C355-T359 WeakPolarHBondContact O-CB 3.28Å; C355-T359 PolarHBondContact O-N 3.22Å; C355-T359 PolarHBondContact O-OG1 3.2Å; L356-T359 PolarHBondContact O-N 3.28Å; T357-T359 VanDerWaalsContact C-N 3.3Å; T357-T359 PolarHBondContact O-N 3.21Å; T359-S361 PolarHBondContact O-N 3.01Å; T359-C362 WeakPolarHBondContact O-CB 3.16Å; T359-C362 PolarHBondContact O-N 3.39Å; T359-C362 VanDerWaalsContact O-N 3.13Å; T359-I363 HydrophobicContact CG2-CD1 3.93Å; T359-I363 HydrophobicContact CG2-CG1 4.42Å; T359-I363 WeakPolarHBondContact O-CG1 3.1Å; T359-I363 PolarHBondContact O-N 3.06Å
360N86.9Confident79.6Confident6 Ų629.6 Ų29.63%0.03215%0.154CC..Hα-helixtrans-56-46.3176.3179.284.9000112.6F318 C321 F322 T357 Y358 C362 I363 N364F318-N360 WeakPolarHBondContact CA-OD1 3.19Å; C321-N360 HydrophobicContact CB-CB 3.98Å; F322-N360 HydrophobicContact CD2-CB 4.43Å; F322-N360 HydrophobicContact CE2-CB 3.65Å; F322-N360 HydrophobicContact CZ-CB 4.4Å; T357-N360 VanDerWaalsContact O-CB 3.32Å; T357-N360 WeakPolarHBondContact O-CB 3.34Å; T357-N360 PolarHBondContact O-N 3.4Å; Y358-N360 PolarHBondContact O-N 3.08Å; N360-C362 PolarHBondContact O-N 2.7Å; N360-I363 PolarHBondContact O-N 3.43Å; N360-I363 VanDerWaalsContact O-N 3.14Å; N360-N364 PolarHBondContact O-N 2.95Å
361S87.1Confident79.3Confident1 Ų130.1 Ų30.11%0.00716%0.157CC..Hα-helixtrans-68.6-20-179.6-63.40000113.3N112 D140 Y143 Y358 T359 P365N112-S361 PolarHBondContact ND2-O 3.44Å; D140-S361 VanDerWaalsContact CG-OG 3.3Å; D140-S361 WeakPolarHBondContact OD1-CB 3.44Å; D140-S361 PolarHBondContact OD1-OG 3.28Å; Y143-S361 WeakPolarHBondContact CD1-OG 3.02Å; Y358-S361 PolarHBondContact O-N 3.14Å; T359-S361 PolarHBondContact O-N 3.01Å; S361-P365 WeakPolarHBondContact O-CD 3.45Å
362C87.2Confident78.9Confident9 Ų930.2 Ų30.26%0.06116%0.16CC..Hα-helixtrans-77.6-32.2172.2-61.40000112.9V104 V107 G108 T359 N360 F366V104-C362 PolarHBondContact O-SG 3.19Å; V107-C362 HydrophobicContact CG1-CB 4.23Å; G108-C362 WeakPolarHBondContact CA-SG 3.35Å; T359-C362 WeakPolarHBondContact O-CB 3.16Å; T359-C362 PolarHBondContact O-N 3.39Å; T359-C362 VanDerWaalsContact O-N 3.13Å; N360-C362 PolarHBondContact O-N 2.7Å; C362-F366 WeakPolarHBondContact O-CD2 3.36Å; C362-F366 WeakPolarHBondContact O-CE2 3.49Å
363I85.6Confident78.4Confident51 Ų5131.4 Ų31.426%0.26216%0.16SC..Hα-helixtrans-76.4-32.3-175.6-67.1165.6000111.2V317 T359 N360 F366 L367V317-I363 HydrophobicContact CG1-CB 4.19Å; V317-I363 HydrophobicContact CG1-CD1 3.49Å; V317-I363 VanDerWaalsContact CG1-CD1 3.49Å; V317-I363 HydrophobicContact CG1-CG1 4.43Å; V317-I363 HydrophobicContact CG1-CG2 3.9Å; V317-I363 HydrophobicContact CG2-CG2 4.36Å; T359-I363 HydrophobicContact CG2-CD1 3.93Å; T359-I363 HydrophobicContact CG2-CG1 4.42Å; T359-I363 WeakPolarHBondContact O-CG1 3.1Å; T359-I363 PolarHBondContact O-N 3.06Å; N360-I363 PolarHBondContact O-N 3.43Å; N360-I363 VanDerWaalsContact O-N 3.14Å; I363-F366 PolarHBondContact O-N 3.06Å; I363-F366 VanDerWaalsContact O-N 3.15Å; I363-L367 HydrophobicContact CG2-CD1 3.51Å; I363-L367 HydrophobicContact CG2-CG 4.25Å; I363-L367 WeakPolarHBondContact O-CD1 3.4Å; I363-L367 PolarHBondContact O-N 3.49Å
364N83.1Confident77.7Confident3 Ų333.2 Ų33.22%0.01617%0.17CC..Hα-helixtrans-47.6-56178.9-78.9-19.6000114D140 N360 F366 L367 Y368D140-N364 PolarHBondContact OD2-ND2 2.9Å; N360-N364 PolarHBondContact O-N 2.95Å; N364-F366 PolarHBondContact O-N 3.29Å; N364-L367 WeakPolarHBondContact O-CB 3.38Å; N364-L367 PolarHBondContact O-N 2.94Å; N364-L367 VanDerWaalsContact O-N 3.13Å; N364-Y368 HydrophobicContact CB-CD2 4.41Å; N364-Y368 HydrophobicContact CB-CE2 3.98Å; N364-Y368 WeakPolarHBondContact O-CD2 3.43Å; N364-Y368 PolarHBondContact O-N 3.31Å
365P82.1Confident76.9Confident5 Ų536.8 Ų36.83%0.03218%0.184CC..Hα-helixtrans-50.6-44.2174.8-33.537.1000116.1G111 N112 S361 L367 Y368 T369G111-P365 WeakPolarHBondContact O-CB 3.25Å; G111-P365 WeakPolarHBondContact O-CG 3.29Å; N112-P365 HydrophobicContact CB-CG 4.4Å; N112-P365 WeakPolarHBondContact OD1-CG 3.32Å; S361-P365 WeakPolarHBondContact O-CD 3.45Å; P365-L367 VanDerWaalsContact C-N 3.27Å; P365-L367 PolarHBondContact O-N 2.89Å; P365-Y368 PolarHBondContact O-N 2.77Å; P365-T369 WeakPolarHBondContact O-CG2 3.47Å; P365-T369 PolarHBondContact O-N 2.94Å; P365-T369 PolarHBondContact O-OG1 3.35Å; P365-T369 VanDerWaalsContact O-OG1 3.04Å
366F77.9Confident76.1Confident121 Ų12145.3 Ų45.353%0.53122%0.215SC..Hα-helixtrans-62.9-37.5-179.6-65.2-81.7000111.4V107 C362 I363 N364 T369 L370V107-F366 HydrophobicContact CG1-CE2 4.14Å; V107-F366 HydrophobicContact CG1-CZ 4.33Å; C362-F366 WeakPolarHBondContact O-CD2 3.36Å; C362-F366 WeakPolarHBondContact O-CE2 3.49Å; I363-F366 PolarHBondContact O-N 3.06Å; I363-F366 VanDerWaalsContact O-N 3.15Å; N364-F366 PolarHBondContact O-N 3.29Å; F366-T369 WeakPolarHBondContact CA-OG1 3.24Å; F366-T369 PolarHBondContact O-OG1 2.9Å; F366-L370 VanDerWaalsContact O-CG 3.27Å; F366-L370 WeakPolarHBondContact O-CG 3.47Å; F366-L370 PolarHBondContact O-N 3.05Å
367L72.6Confident75.2Confident15 Ų1546.3 Ų46.38%0.07922%0.218CC..Hα-helixtrans-68.8-43.5176.2-63.5152.2000111.1M310 T313 I314 I363 N364 P365 T369 L370 L371M310-L367 HydrophobicContact CG-CB 4.35Å; M310-L367 HydrophobicContact CG-CD2 4.04Å; T313-L367 HydrophobicContact CG2-CD2 4.18Å; I314-L367 HydrophobicContact CB-CD1 4.09Å; I314-L367 HydrophobicContact CD1-CB 3.93Å; I314-L367 HydrophobicContact CD1-CD1 3.95Å; I314-L367 HydrophobicContact CD1-CG 4.43Å; I314-L367 HydrophobicContact CG1-CB 4.25Å; I314-L367 HydrophobicContact CG1-CD1 3.61Å; I314-L367 HydrophobicContact CG1-CD2 4.23Å; I314-L367 HydrophobicContact CG1-CG 4.24Å; I314-L367 HydrophobicContact CG2-CD1 4Å; I363-L367 HydrophobicContact CG2-CD1 3.51Å; I363-L367 HydrophobicContact CG2-CG 4.25Å; I363-L367 WeakPolarHBondContact O-CD1 3.4Å; I363-L367 PolarHBondContact O-N 3.49Å; N364-L367 WeakPolarHBondContact O-CB 3.38Å; N364-L367 PolarHBondContact O-N 2.94Å; N364-L367 VanDerWaalsContact O-N 3.13Å; P365-L367 VanDerWaalsContact C-N 3.27Å; P365-L367 PolarHBondContact O-N 2.89Å; L367-T369 PolarHBondContact O-N 3.09Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-L371 PolarHBondContact O-N 2.99Å
368Y72.2Confident74Confident5 Ų550.4 Ų50.42%0.0223%0.233CC..Hα-helixtrans-70.6-28.6178.6-65.3-58.9000114.5M129 I133 L136 M187 I314 N364 P365 L371 T372M129-Y368 HydrophobicContact CE-CE1 4.23Å; I133-Y368 HydrophobicContact CD1-CD1 3.95Å; I133-Y368 HydrophobicContact CD1-CE1 4.41Å; I133-Y368 HydrophobicContact CG1-CD1 4.1Å; I133-Y368 HydrophobicContact CG1-CE1 4.14Å; I133-Y368 HydrophobicContact CG2-CD1 4.26Å; I133-Y368 HydrophobicContact CG2-CD2 4.34Å; I133-Y368 HydrophobicContact CG2-CG 4.13Å; L136-Y368 HydrophobicContact CD2-CE2 3.61Å; L136-Y368 WeakPolarHBondContact CD2-OH 3.19Å; M187-Y368 HydrophobicContact CE-CE1 3.6Å; M187-Y368 HydrophobicContact SD-CE1 3.79Å; M187-Y368 PolarHBondContact SD-OH 2.96Å; I314-Y368 HydrophobicContact CD1-CE1 4.41Å; N364-Y368 HydrophobicContact CB-CD2 4.41Å; N364-Y368 HydrophobicContact CB-CE2 3.98Å; N364-Y368 WeakPolarHBondContact O-CD2 3.43Å; N364-Y368 PolarHBondContact O-N 3.31Å; P365-Y368 PolarHBondContact O-N 2.77Å; Y368-L371 HydrophobicContact CD1-CD2 4.21Å; Y368-L371 WeakPolarHBondContact O-CB 3.45Å; Y368-L371 PolarHBondContact O-N 3.3Å; Y368-T372 VanDerWaalsContact O-CB 3.28Å; Y368-T372 WeakPolarHBondContact O-CB 3.38Å; Y368-T372 PolarHBondContact O-N 3.25Å; Y368-T372 PolarHBondContact O-OG1 2.78Å
369T71.3Confident72.9Confident47 Ų4752.9 Ų52.929%0.28825%0.247SC..Hα-helixtrans-72-39.5172.852.40000111.6Y114 P365 F366 L367 T372 K373Y114-T369 HydrophobicContact CD1-CG2 3.92Å; Y114-T369 HydrophobicContact CE1-CG2 3.5Å; P365-T369 WeakPolarHBondContact O-CG2 3.47Å; P365-T369 PolarHBondContact O-N 2.94Å; P365-T369 PolarHBondContact O-OG1 3.35Å; P365-T369 VanDerWaalsContact O-OG1 3.04Å; F366-T369 WeakPolarHBondContact CA-OG1 3.24Å; F366-T369 PolarHBondContact O-OG1 2.9Å; L367-T369 PolarHBondContact O-N 3.09Å; T369-T372 WeakPolarHBondContact O-CB 3.37Å; T369-T372 PolarHBondContact O-N 3.05Å; T369-K373 WeakPolarHBondContact O-CB 3.45Å; T369-K373 PolarHBondContact O-N 2.87Å
370L67.1Low71.9Confident99 Ų9958 Ų5852%0.51827%0.266SS..Hα-helixtrans-61.5-42.1169.3-69.3171.2000111.8F366 L367 T372 N374F366-L370 VanDerWaalsContact O-CG 3.27Å; F366-L370 WeakPolarHBondContact O-CG 3.47Å; F366-L370 PolarHBondContact O-N 3.05Å; L367-L370 PolarHBondContact O-N 3.4Å; L370-T372 VanDerWaalsContact C-N 3.34Å; L370-T372 PolarHBondContact O-N 3.22Å; L370-N374 PolarHBondContact O-N 2.88Å; L370-N374 PolarHBondContact O-ND2 2.63Å
371L64.3Low70.8Confident13 Ų1362.7 Ų62.77%0.06829%0.291CS..Hα-helixtrans-55.6-50.7171.8-176.363.5000111.4I133 V307 M310 L367 Y368 N374 Y375I133-L371 HydrophobicContact CD1-CD2 4.35Å; V307-L371 HydrophobicContact CB-CD1 4.27Å; V307-L371 HydrophobicContact CG1-CD1 4Å; V307-L371 HydrophobicContact CG2-CD1 3.56Å; M310-L371 HydrophobicContact CE-CB 4Å; M310-L371 HydrophobicContact CE-CD1 3.92Å; M310-L371 HydrophobicContact CE-CD2 4.18Å; M310-L371 HydrophobicContact CE-CG 4.25Å; M310-L371 HydrophobicContact SD-CB 3.61Å; M310-L371 HydrophobicContact SD-CD1 4.11Å; M310-L371 HydrophobicContact SD-CG 4.37Å; L367-L371 PolarHBondContact O-N 2.99Å; Y368-L371 HydrophobicContact CD1-CD2 4.21Å; Y368-L371 WeakPolarHBondContact O-CB 3.45Å; Y368-L371 PolarHBondContact O-N 3.3Å; L371-N374 PolarHBondContact O-N 3.42Å; L371-Y375 WeakPolarHBondContact O-CB 3.36Å; L371-Y375 PolarHBondContact O-N 3.36Å
372T64Low69.7Low25 Ų2570 Ų7015%0.15332%0.318CS..Hα-helixtrans-61-47.2-176.5-68.20000111.8V118 M119 I123 Y368 T369 L370 Y375 R376V118-T372 HydrophobicContact CG1-CG2 4.23Å; M119-T372 VanDerWaalsContact CE-OG1 3.3Å; M119-T372 WeakPolarHBondContact CE-OG1 3.2Å; I123-T372 HydrophobicContact CD1-CG2 3.42Å; I123-T372 VanDerWaalsContact CD1-CG2 3.42Å; Y368-T372 VanDerWaalsContact O-CB 3.28Å; Y368-T372 WeakPolarHBondContact O-CB 3.38Å; Y368-T372 PolarHBondContact O-N 3.25Å; Y368-T372 PolarHBondContact O-OG1 2.78Å; T369-T372 WeakPolarHBondContact O-CB 3.37Å; T369-T372 PolarHBondContact O-N 3.05Å; L370-T372 VanDerWaalsContact C-N 3.34Å; L370-T372 PolarHBondContact O-N 3.22Å; T372-Y375 PolarHBondContact O-N 3.34Å; T372-R376 WeakPolarHBondContact O-CB 3.36Å; T372-R376 PolarHBondContact O-N 3.42Å
373K66.6Low68.5Low132 Ų13275.3 Ų75.357%0.57434%0.341SS*.Hα-helixtrans-60.6-49.5178.7-174.3176.1178.5-179.70111.2T369 Y375 R376 E377T369-K373 WeakPolarHBondContact O-CB 3.45Å; T369-K373 PolarHBondContact O-N 2.87Å; K373-Y375 VanDerWaalsContact C-N 3.29Å; K373-Y375 PolarHBondContact O-N 3.4Å; K373-R376 PolarHBondContact O-N 3.1Å; K373-E377 WeakPolarHBondContact CE-OE1 3.29Å; K373-E377 WeakPolarHBondContact CG-OE1 3.18Å; K373-E377 WeakPolarHBondContact O-CB 3.34Å; K373-E377 WeakPolarHBondContact O-CG 3.35Å; K373-E377 PolarHBondContact O-N 3.5Å
374N64.8Low67.5Low51 Ų5179.1 Ų79.127%0.27336%0.356SS..Hα-helixtrans-58.9-39.3176.4-78.4-69.5000112.5K306 L370 L371 Y378K306-N374 WeakPolarHBondContact CD-OD1 3.36Å; K306-N374 WeakPolarHBondContact CE-OD1 3.49Å; K306-N374 PolarHBondContact NZ-OD1 3.24Å; L370-N374 PolarHBondContact O-N 2.88Å; L370-N374 PolarHBondContact O-ND2 2.63Å; L371-N374 PolarHBondContact O-N 3.42Å; N374-Y378 WeakPolarHBondContact O-CB 3.38Å; N374-Y378 PolarHBondContact O-N 3.28Å
375Y59.1Low66.3Low75 Ų7582.6 Ų82.629%0.29438%0.381SS..Hα-helixtrans-72.3-39.7178.7-173.4-112.8000112.8A126 L371 T372 K373 Y378 L379A126-Y375 HydrophobicContact CB-CE1 3.85Å; A126-Y375 PolarHBondContact O-OH 2.93Å; L371-Y375 WeakPolarHBondContact O-CB 3.36Å; L371-Y375 PolarHBondContact O-N 3.36Å; T372-Y375 PolarHBondContact O-N 3.34Å; K373-Y375 VanDerWaalsContact C-N 3.29Å; K373-Y375 PolarHBondContact O-N 3.4Å; Y375-Y378 HydrophobicContact CD2-CD1 4.46Å; Y375-Y378 HydrophobicContact CE2-CD1 4.34Å; Y375-Y378 WeakPolarHBondContact O-CB 3.5Å; Y375-Y378 PolarHBondContact O-N 3.36Å; Y375-L379 HydrophobicContact CD1-CD1 4.08Å; Y375-L379 HydrophobicContact CE1-CD1 3.49Å; Y375-L379 VanDerWaalsContact CE1-CD1 3.49Å; Y375-L379 HydrophobicContact CE1-CG 4.05Å; Y375-L379 HydrophobicContact CE2-CG 4.4Å; Y375-L379 PolarHBondContact O-N 3.26Å
376R65.4Low65.2Low188 Ų18889 Ų8971%0.70941%0.408SS*.Hα-helixtrans-66.6-40.1176.4-163177.4-160.1-94.71.4111.8T372 K373 L379 K380T372-R376 WeakPolarHBondContact O-CB 3.36Å; T372-R376 PolarHBondContact O-N 3.42Å; K373-R376 PolarHBondContact O-N 3.1Å; R376-L379 PolarHBondContact O-N 2.97Å; R376-K380 VanDerWaalsContact O-CB 3.32Å; R376-K380 WeakPolarHBondContact O-CB 3.25Å; R376-K380 PolarHBondContact O-N 2.97Å
377E64.6Low64.1Low85 Ų8591 Ų9140%0.39741%0.413SS..Hα-helixtrans-62.7-42.5171.6-74.4172.7-17000111.5K373 K380 N381K373-E377 WeakPolarHBondContact CE-OE1 3.29Å; K373-E377 WeakPolarHBondContact CG-OE1 3.18Å; K373-E377 WeakPolarHBondContact O-CB 3.34Å; K373-E377 WeakPolarHBondContact O-CG 3.35Å; K373-E377 PolarHBondContact O-N 3.5Å; E377-K380 PolarHBondContact O-N 3.44Å; E377-N381 WeakPolarHBondContact O-CB 3.3Å; E377-N381 PolarHBondContact O-N 3.27Å; E377-N381 PolarHBondContact O-ND2 2.94Å
378Y59.9Low63.2Low86 Ų8698.3 Ų98.334%0.33744%0.44SS..Hα-helixtrans-59.9-48174172.1-101000112.5P303 N374 Y375 N381 R382P303-Y378 HydrophobicContact CB-CD2 4.41Å; P303-Y378 HydrophobicContact CG-CD2 3.54Å; P303-Y378 HydrophobicContact CG-CE2 4Å; P303-Y378 HydrophobicContact CG-CG 4.15Å; N374-Y378 WeakPolarHBondContact O-CB 3.38Å; N374-Y378 PolarHBondContact O-N 3.28Å; Y375-Y378 HydrophobicContact CD2-CD1 4.46Å; Y375-Y378 HydrophobicContact CE2-CD1 4.34Å; Y375-Y378 WeakPolarHBondContact O-CB 3.5Å; Y375-Y378 PolarHBondContact O-N 3.36Å; Y378-N381 PolarHBondContact O-N 3.32Å; Y378-R382 WeakPolarHBondContact O-CB 3.47Å; Y378-R382 PolarHBondContact O-N 3.35Å; Y378-R382 PolarHBondContact OH-NH1 2.99Å
379L61.5Low62.2Low53 Ų53106.1 Ų106.128%0.27747%0.471SS..Hα-helixtrans-62.6-44.6177.1-73.6179.5000111.9A126 Y375 R376 N381 R382 H383A126-L379 HydrophobicContact CB-CD1 4.3Å; Y375-L379 HydrophobicContact CD1-CD1 4.08Å; Y375-L379 HydrophobicContact CE1-CD1 3.49Å; Y375-L379 VanDerWaalsContact CE1-CD1 3.49Å; Y375-L379 HydrophobicContact CE1-CG 4.05Å; Y375-L379 HydrophobicContact CE2-CG 4.4Å; Y375-L379 PolarHBondContact O-N 3.26Å; R376-L379 PolarHBondContact O-N 2.97Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.28Å; L379-R382 PolarHBondContact O-N 3.3Å; L379-H383 PolarHBondContact O-CD2 3.35Å; L379-H383 PolarHBondContact O-N 3.04Å
380K66.1Low61.3Low149 Ų149106.9 Ų106.965%0.64848%0.475SS*.Hα-helixtrans-57.9-43.5175.5-174.3177.7-179-179.70111.3R376 E377 K384R376-K380 VanDerWaalsContact O-CB 3.32Å; R376-K380 WeakPolarHBondContact O-CB 3.25Å; R376-K380 PolarHBondContact O-N 2.97Å; E377-K380 PolarHBondContact O-N 3.44Å; K380-K384 VanDerWaalsContact O-CB 3.3Å; K380-K384 WeakPolarHBondContact O-CB 3.34Å; K380-K384 PolarHBondContact O-N 3.28Å
381N65.2Low60.5Low104 Ų104104.9 Ų104.956%0.55647%0.47SS*.Hα-helixtrans-70.1-37.7178.1-70-13.4000112.2E377 Y378 L379 K384 S385E377-N381 WeakPolarHBondContact O-CB 3.3Å; E377-N381 PolarHBondContact O-N 3.27Å; E377-N381 PolarHBondContact O-ND2 2.94Å; Y378-N381 PolarHBondContact O-N 3.32Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.28Å; N381-K384 PolarHBondContact O-N 3.15Å; N381-S385 VanDerWaalsContact O-CB 3.32Å; N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 3.44Å
382R62.6Low59.7Low155 Ų155107.4 Ų107.459%0.58549%0.489SS*.Hα-helixtrans-64.2-46.5174.4-173.6178.7179128.20.5111.7Y378 L379 S385 F386Y378-R382 WeakPolarHBondContact O-CB 3.47Å; Y378-R382 PolarHBondContact O-N 3.35Å; Y378-R382 PolarHBondContact OH-NH1 2.99Å; L379-R382 PolarHBondContact O-N 3.3Å; R382-S385 PolarHBondContact O-N 2.88Å; R382-F386 WeakPolarHBondContact O-CB 3.47Å; R382-F386 PolarHBondContact O-N 3.4Å
383H63.3Low58.9Low119 Ų119114 Ų11455%0.55152%0.515SS*.Hα-helixtrans-60.6-48.2174.1-83.6-120.9000110.9L379 S385 F386 Y387L379-H383 PolarHBondContact O-CD2 3.35Å; L379-H383 PolarHBondContact O-N 3.04Å; H383-S385 VanDerWaalsContact C-N 3.26Å; H383-S385 PolarHBondContact O-N 2.93Å; H383-F386 PolarHBondContact O-N 3.03Å; H383-F386 VanDerWaalsContact O-N 3.14Å; H383-Y387 WeakPolarHBondContact O-CD2 3.29Å; H383-Y387 PolarHBondContact O-N 3.23Å
384K62.9Low57.8Low131 Ų131116.6 Ų116.657%0.5753%0.526SS*.Hα-helixtrans-61.4-34178.7-161.7172.8-173.1179.10112.6K380 N381 R388K380-K384 VanDerWaalsContact O-CB 3.3Å; K380-K384 WeakPolarHBondContact O-CB 3.34Å; K380-K384 PolarHBondContact O-N 3.28Å; N381-K384 PolarHBondContact O-N 3.15Å; K384-R388 VanDerWaalsContact O-CB 3.28Å; K384-R388 WeakPolarHBondContact O-CB 3.49Å; K384-R388 PolarHBondContact O-N 3.1Å; K384-R388 VanDerWaalsContact O-N 3.11Å
385S58.5Low56.8Low76 Ų76121.8 Ų121.853%0.53155%0.549SS..Hα-helixtrans-71.7-41.4173.7-161.50000112.4N381 R382 H383 R388 Y389N381-S385 VanDerWaalsContact O-CB 3.32Å; N381-S385 WeakPolarHBondContact O-CB 3.33Å; N381-S385 PolarHBondContact O-N 3.44Å; R382-S385 PolarHBondContact O-N 2.88Å; H383-S385 VanDerWaalsContact C-N 3.26Å; H383-S385 PolarHBondContact O-N 2.93Å; S385-R388 PolarHBondContact O-N 3.12Å; S385-Y389 WeakPolarHBondContact O-CB 3.48Å; S385-Y389 PolarHBondContact O-N 3.4Å
386F60Low55.9Low139 Ų139129 Ų12961%0.6158%0.576SS**Hα-helixtrans-62.8-48.4176-174.1-101.4000111.6R382 H383 R388 Y389 T390R382-F386 WeakPolarHBondContact O-CB 3.47Å; R382-F386 PolarHBondContact O-N 3.4Å; H383-F386 PolarHBondContact O-N 3.03Å; H383-F386 VanDerWaalsContact O-N 3.14Å; F386-R388 VanDerWaalsContact C-N 3.28Å; F386-R388 PolarHBondContact O-N 3.17Å; F386-Y389 PolarHBondContact O-N 3.38Å; F386-Y389 VanDerWaalsContact O-N 3.14Å; F386-T390 HydrophobicContact CD1-CG2 4.39Å; F386-T390 HydrophobicContact CE1-CG2 4.06Å; F386-T390 HydrophobicContact CZ-CG2 4.16Å; F386-T390 PolarHBondContact O-N 2.94Å; F386-T390 PolarHBondContact O-OG1 3.21Å
387Y54.6Low54.8Low164 Ų164125.6 Ų125.664%0.64358%0.576SS**Hα-helixtrans-59.6-36.1173.8-89.1-83000113.1H383 T390 S391H383-Y387 WeakPolarHBondContact O-CD2 3.29Å; H383-Y387 PolarHBondContact O-N 3.23Å; Y387-T390 WeakPolarHBondContact CA-OG1 3.49Å; Y387-T390 PolarHBondContact O-OG1 3.48Å; Y387-T390 VanDerWaalsContact O-OG1 3.09Å; Y387-S391 VanDerWaalsContact O-CB 3.31Å; Y387-S391 WeakPolarHBondContact O-CB 3.45Å; Y387-S391 PolarHBondContact O-N 3.03Å; Y387-S391 PolarHBondContact O-OG 2.99Å
388R53.8Low53.5Low168 Ų168126.9 Ų126.963%0.63459%0.592SS**Hα-helixtrans-73-31.8176.4-170.3-178.4-73.3169.1-12.1112.4K384 S385 F386 S391 S392K384-R388 VanDerWaalsContact O-CB 3.28Å; K384-R388 WeakPolarHBondContact O-CB 3.49Å; K384-R388 PolarHBondContact O-N 3.1Å; K384-R388 VanDerWaalsContact O-N 3.11Å; S385-R388 PolarHBondContact O-N 3.12Å; F386-R388 VanDerWaalsContact C-N 3.28Å; F386-R388 PolarHBondContact O-N 3.17Å; R388-S391 WeakPolarHBondContact CA-OG 3.5Å; R388-S391 PolarHBondContact O-OG 3.07Å; R388-S391 VanDerWaalsContact O-OG 3.11Å; R388-S392 VanDerWaalsContact O-CB 3.24Å; R388-S392 WeakPolarHBondContact O-CB 3.34Å; R388-S392 PolarHBondContact O-N 3.1Å
389Y49.9Very low52.8Low169 Ų169128.7 Ų128.766%0.66362%0.617SS**Hα-helixtrans-71.1-45.4174.2-165.8-96.6000110.9S385 F386 S391 S392 F393S385-Y389 WeakPolarHBondContact O-CB 3.48Å; S385-Y389 PolarHBondContact O-N 3.4Å; F386-Y389 PolarHBondContact O-N 3.38Å; F386-Y389 VanDerWaalsContact O-N 3.14Å; Y389-S391 PolarHBondContact O-N 3.03Å; Y389-S392 PolarHBondContact O-N 3.4Å; Y389-F393 PolarHBondContact O-N 2.95Å
390T53.8Low51.8Low63 Ų63133 Ų13339%0.38764%0.64SS.*Hα-helixtrans-66.5-34.7175.356.70000112.5F386 Y387 K394F386-T390 HydrophobicContact CD1-CG2 4.39Å; F386-T390 HydrophobicContact CE1-CG2 4.06Å; F386-T390 HydrophobicContact CZ-CG2 4.16Å; F386-T390 PolarHBondContact O-N 2.94Å; F386-T390 PolarHBondContact O-OG1 3.21Å; Y387-T390 WeakPolarHBondContact CA-OG1 3.49Å; Y387-T390 PolarHBondContact O-OG1 3.48Å; Y387-T390 VanDerWaalsContact O-OG1 3.09Å; T390-K394 PolarHBondContact O-N 3.13Å
391S49.2Very low50.1Low58 Ų58137.4 Ų137.441%0.40665%0.654SS.*Hα-helixtrans-70.6-39173.274.70000112.7Y387 R388 Y389 F393 K394 Q395Y387-S391 VanDerWaalsContact O-CB 3.31Å; Y387-S391 WeakPolarHBondContact O-CB 3.45Å; Y387-S391 PolarHBondContact O-N 3.03Å; Y387-S391 PolarHBondContact O-OG 2.99Å; R388-S391 WeakPolarHBondContact CA-OG 3.5Å; R388-S391 PolarHBondContact O-OG 3.07Å; R388-S391 VanDerWaalsContact O-OG 3.11Å; Y389-S391 PolarHBondContact O-N 3.03Å; S391-F393 VanDerWaalsContact C-N 3.31Å; S391-F393 PolarHBondContact O-N 3.41Å; S391-K394 CarbonylContact O-C 3.28Å; S391-K394 WeakPolarHBondContact O-CA 3.44Å; S391-K394 WeakPolarHBondContact O-CB 3.45Å; S391-K394 PolarHBondContact O-N 3.21Å; S391-K394 VanDerWaalsContact O-N 3.13Å; S391-Q395 PolarHBondContact O-N 3.39Å; S391-Q395 VanDerWaalsContact O-N 3.11Å
392S47.3Very low48.6Very low66 Ų66138.5 Ų138.546%0.46267%0.67SS.*Hα-helixtrans-67.6-30.9177.1-172.50000112.6R388 Y389 K394 Q395R388-S392 VanDerWaalsContact O-CB 3.24Å; R388-S392 WeakPolarHBondContact O-CB 3.34Å; R388-S392 PolarHBondContact O-N 3.1Å; Y389-S392 PolarHBondContact O-N 3.4Å; S392-K394 VanDerWaalsContact C-N 3.34Å; S392-Q395 PolarHBondContact O-N 3.32Å
393F47.8Very low47Very low164 Ų164137.4 Ų137.472%0.71968%0.684SS**Hα-helixtrans-69.3-34.9171.3-147.8-93000111.3Y389 S391 Q395 R396Y389-F393 PolarHBondContact O-N 2.95Å; S391-F393 VanDerWaalsContact C-N 3.31Å; S391-F393 PolarHBondContact O-N 3.41Å; F393-Q395 VanDerWaalsContact C-N 3.25Å; F393-Q395 PolarHBondContact O-N 2.75Å; F393-R396 PolarHBondContact O-N 3Å
394K43.8Very low45.4Very low185 Ų185135 Ų13580%0.80469%0.692SS**THydrogen-bonded Turntrans-73.1-10.5174-133.6-180-174.7-173.40114.6T390 S391 S392T390-K394 PolarHBondContact O-N 3.13Å; S391-K394 CarbonylContact O-C 3.28Å; S391-K394 WeakPolarHBondContact O-CA 3.44Å; S391-K394 WeakPolarHBondContact O-CB 3.45Å; S391-K394 PolarHBondContact O-N 3.21Å; S391-K394 VanDerWaalsContact O-N 3.13Å; S392-K394 VanDerWaalsContact C-N 3.34Å
395Q44.5Very low44Very low161 Ų161138.7 Ų138.775%0.75271%0.708SS**THydrogen-bonded Turntrans-102.92.2176.1-97.3179.1-2800113.9S391 S392 F393S391-Q395 PolarHBondContact O-N 3.39Å; S391-Q395 VanDerWaalsContact O-N 3.11Å; S392-Q395 PolarHBondContact O-N 3.32Å; F393-Q395 VanDerWaalsContact C-N 3.25Å; F393-Q395 PolarHBondContact O-N 2.75Å
396R39.9Very low42.5Very low225 Ų225141 Ų14185%0.84973%0.725SS**  trans-104.354.1170.1-90-172.9170.1177.7-3.7111.9F393F393-R396 PolarHBondContact O-N 3Å
397T40.7Very low41.1Very low118 Ų118139.2 Ų139.272%0.72474%0.735SS**  trans-79.6128.8146.637.10000107.8S399T397-S399 PolarHBondContact O-N 3.44Å
398P38Very low39.7Very low111 Ų111137 Ų13772%0.72174%0.743SS**  trans-67.6133178.926-31.2000110.2L400P398-L400 PolarHBondContact O-N 3.11Å
399S44.8Very low38.4Very low125 Ų125133.5 Ų133.587%0.87475%0.745SS**  trans-71.293.7170.454.40000109.9T397T397-S399 PolarHBondContact O-N 3.44Å
400L40.6Very low37.3Very low144 Ų144129.8 Ų129.875%0.75474%0.743SS**  trans-129.494.7168.1-93.3167.4000107.9P398P398-L400 PolarHBondContact O-N 3.11Å
401Y31.5Very low36Very low241 Ų241133.9 Ų133.995%0.94576%0.763SS**  trans-17686.1148.7-91.5-57.9000109.9
402S32.9Very low35Very low127 Ų127139.9 Ų139.989%0.88879%0.785SS**  trans-171.487.4145.9-172.40000110.2
403C28.5Very low34Very low131 Ų131145.3 Ų145.389%0.88580%0.8SS**  trans-159.3133.1152.3-160.70000111
404G30.9Very low33Very low69 Ų69145.8 Ų145.871%0.71181%0.805SS**  trans50.9106.1142.800000119.7S406G404-S406 PolarHBondContact O-N 3.16Å
405K32.1Very low32.1Very low208 Ų208145 Ų14590%0.90480%0.802SS**  trans-58.6131.4155.1-63.5173.9179.1176.80109.8
406S29Very low31.3Very low126 Ų126145.4 Ų145.488%0.88181%0.809SS**  trans-162.6146.5141.9-830000109.7G404G404-S406 PolarHBondContact O-N 3.16Å
407A28.8Very low30.8Very low101 Ų101138.2 Ų138.284%0.83579%0.793SS**  trans-88.2152-16600000112.8
408S26.3Very low30.4Very low116 Ų116141.6 Ų141.681%0.81180%0.801SS**  160.5150.8109.5-167.20000112.9
409S26.8Very low30.1Very low96 Ų96142.9 Ų142.967%0.67180%0.8SS**  trans71.597.8148.3-1790000120.7
410S26.9Very low29.5Very low90 Ų90144 Ų14463%0.62980%0.795SS**  92.2114.9122-54.90000120.9
411N27Very low29.1Very low149 Ų149142.5 Ų142.580%0.79779%0.792SS**  trans61.8127137.2-48.6-15.2000117.3
412Q28Very low29Very low185 Ų185139.6 Ų139.686%0.86479%0.79SS**  cis-171.3160.338.2-161.5157.7-9.900110.9
413F26.1Very low29Very low179 Ų179136.2 Ų136.279%0.78578%0.775SS**  trans-49160158.7-94-130.4000111.4
414E26.7Very low29.2Very low174 Ų174136.8 Ų136.881%0.81377%0.774SS**  cis-156.117723.4-154153.5-164.800113.2
415F24.9Very low29.2Very low169 Ų169141 Ų14174%0.74179%0.786SS**  trans-81.8148.1-177.6-171.2-100.6000113.2S417F415-S417 WeakPolarHBondContact CE1-OG 3.43Å; F415-S417 WeakPolarHBondContact CZ-OG 3.26Å
416N26.3Very low29.3Very low169 Ų169142.7 Ų142.790%0.90479%0.786SS**  trans-156148.9153-111.3-31.1000113.7
417S29.5Very low29.5Very low75 Ų75140 Ų14052%0.52478%0.779SS.*  trans-129.6132.5-168.6-67.20000113.5F415F415-S417 WeakPolarHBondContact CE1-OG 3.43Å; F415-S417 WeakPolarHBondContact CZ-OG 3.26Å
418E32.9Very low29.8Very low189 Ų189148.2 Ų148.288%0.88380%0.8SS**  trans-146.8139.7164.7-81.3-167137.100108.5
419I32.8Very low30Very low138 Ų138149.9 Ų149.971%0.70880%0.799SS**  cis70.9111.50.5-55.6178.3000113.1
420L31.8Very low30.1Very low147 Ų147152.7 Ų152.777%0.7781%0.806SS**  cis-173.7166.33.1-154.975.2000110.8
421V31.3Very low30.3Very low113 Ų113156.2 Ų156.269%0.68582%0.816SS**  trans53.7130.1158.2-143.80000122.2
422M30.3Very low30.5Very low181 Ų181156.6 Ų156.689%0.89282%0.817SS**  154.8147.5119.2-81.4-162.4-173.400111.2
423G31.9Very low30.7Very low56 Ų56154.8 Ų154.858%0.57781%0.814SS**  cis126.2111.80.900000112
424T33.8Very low31Very low143 Ų143153.2 Ų153.288%0.87782%0.816SS**  trans49114.9160.943.30000119.6
425V31.2Very low31.3Very low156 Ų156151.7 Ų151.795%0.94582%0.816SS**  trans-111.7122.6156177.30000109.1
426R32.6Very low31.8Very low244 Ų244150.4 Ų150.492%0.92182%0.822SS**  trans-155.3123.7171.3-160.7-173.9-158.3-163.65110.3
427G33.8Very low32.2Very low70 Ų70148.8 Ų148.872%0.72282%0.815SS**  trans86.4100.7158.800000117
428Q34.7Very low32.5Very low274 Ų274155.5 Ų155.5100%1.2884%0.842SS**  -118.50107.9-77.1-173-21.500107.7

Retrieved 428 of 428 residues in 1265.7 ms (Link to these results)