A0A077ZEC6_TRITR Loading...

PrmA and DER1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,471 aa.

>A0A077ZEC6_TRITR|A0A077ZEC6
MALQILIHDYQDIPIVTRAYTTACVLTTLAVQLDVVDTFDLYYNPRLIFLHGQLWRLITCFCFFGTFGFSFLFNIIFTYRYCRMLEENWFRNRTADFFAMFLYGGTLMIVLASFVNMLFLGQAFTIMLVYIWSRRNPLVRMNFFGLLTFQAPYLPWVLLAFSLLLGNSFMVDFVGIVCGHFYYFLEDVFPFQPGGFKTLVTPEVLKRWLDAQDDSASYQPLPGVMVRYSLAVARISYRHGRVEKSLAHYLAILRFFPSKAAALEVEFLDVLESFCVKHESSENSSFVQDRLDMAKAYYGSSVRFIIICAHHLIRTKSYELAAVQFSKALSLDPRSKEAFRGLQDLRPHFVRQWHFKMLNDVERNRSYQKAIQRAIETGRVKTVLDIGCGTGILSMMASKAGAKTVYACECNSLMAQIAKEVINDNELTNGIIVRSLHSMDLNVGREMRFKADLIVTELMDDGLFGESIVSTLLDAKRRLLKENGFIIPSRAAVWAALVESDAIRNDHVFEPRDLPCGMRFPTVVLSSICSFEKAVSNPLYEPEPYTSERIIDYRSCRWLTDPFLVDEIDFSNVNDLTAHASGIERFLTVRLKATGRVDAIVCWFRACLFEDIEISTHPGSKTSWDQAVFPLYHNDVLPSGSKVQILCTVNNNGLRCRMMPSDASTEAKALVATSGLVALLNDMILLNTYRLFMQATKNAGVLKHSAILDLTDNPFIASLAVKLFGVEVWSQSKFQCIEIFEQLSSACSDESSKGAIVLFENVEEVEKVAPCTLLLCCPVSSGGELRRSALTQVLYSRSRLGITQVIPECMEVHCILVDSQQLEEYTCLVNDERTLGFKVGKHINPYHTSVQRELNLNQLDYIPLSNPFTLMTIDLQEPLDPPTEPKFIKQLSRTVVHVTKEGTFNAVVFWFHLKCPSLSCVCFSTSECTNHFKVAAALVEPTPVTKGSTVEAFLSSSLAIGTVKVKRLGVSSEASEDEKRLTFLERTSFHQSECEQANGKVGASTTSDQAYCTFDEFDLNLENTVGNCEQEKIADAIKDIADSIHASFAQLKSDFAQYREVLELSKKDHPLGTLLCESPSAVDWIKSLSSTEASALLEAETMKRRLCERKLLLLESHIVCLEQRLELSKSVIFHQQTALNELEASVRHLTDEFDNFERSRTSFVGRATCTNRELIRRIQRLSNYCRISDQNLEIATERINALQKLNIDLQSTADKQLSTIHTAEENLATLKDECRRLGEQADLLRGENDELRKELLRLQIFETEMSRELRLVDAKYRNEKSTLERQLESAQASLRDMQQQHATAIAEVNKNFKLKIQELTDNLSKSKLDEIKTLQEGWNSSYDKLKNKCVVLTEERNLARKNLRELEKGLEARQEAMYSALKERLSVKYYELICEMSNHDSVGQTSSRLGSAAEANETLEDYFLSQMSKMSLIKTPRYNVDVSNDESMTSLNQQPLMHSTPVKGTPTDPKI
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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
1M55.8Low76.5Confident174 Ų174112 Ų11286%0.85757%0.57SS**  0-86.80-58-157.190.300112.5L3 Q4 I5M1-L3 PolarHBondContact O-N 2.67Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-Q4 CarbonylContact O-C 3.6Å; M1-Q4 WeakPolarHBondContact O-CA 3.38Å; M1-Q4 WeakPolarHBondContact O-CB 3.13Å; M1-Q4 PolarHBondContact O-N 3.26Å; M1-I5 PolarHBondContact O-N 3.39Å
2A67.2Low77.3Confident78 Ų78109.3 Ų109.365%0.64556%0.558SS**Hα-helixtrans-49.4-45.9-170.200000115.5Q4 I5 L6A2-Q4 PolarHBondContact O-N 3.27Å; A2-I5 PolarHBondContact O-N 3.4Å; A2-L6 PolarHBondContact O-N 2.97Å
3L72.9Confident78.1Confident126 Ų126102.4 Ų102.466%0.6652%0.523SS*.Hα-helixtrans-66.3-34.4175-176.363.9000113.4M1 I7M1-L3 PolarHBondContact O-N 2.67Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-I7 HydrophobicContact CD1-CD1 4.39Å; L3-I7 HydrophobicContact CG-CD1 4.01Å; L3-I7 WeakPolarHBondContact O-CB 3.37Å; L3-I7 WeakPolarHBondContact O-CD1 3.26Å; L3-I7 WeakPolarHBondContact O-CG1 3.48Å; L3-I7 PolarHBondContact O-N 3.31Å
4Q71.7Confident78.9Confident133 Ų13396.7 Ų96.762%0.62150%0.496SS*.Hα-helixtrans-71.3-35.1174.9-68.7162.4-70.700111.7M1 A2 I7 H8M1-Q4 CarbonylContact O-C 3.6Å; M1-Q4 WeakPolarHBondContact O-CA 3.38Å; M1-Q4 WeakPolarHBondContact O-CB 3.13Å; M1-Q4 PolarHBondContact O-N 3.26Å; A2-Q4 PolarHBondContact O-N 3.27Å; Q4-I7 PolarHBondContact O-N 2.96Å; Q4-H8 VanDerWaalsContact O-CB 3.31Å; Q4-H8 WeakPolarHBondContact O-CB 3.4Å; Q4-H8 PolarHBondContact O-N 2.79Å
5I78.5Confident79.5Confident90 Ų9096.5 Ų96.546%0.46250%0.495SS..Hα-helixtrans-63.2-49.5172.6-64.1166.7000108.8M1 A2 I7 H8 D9M1-I5 PolarHBondContact O-N 3.39Å; A2-I5 PolarHBondContact O-N 3.4Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.44Å; I5-H8 PolarHBondContact O-N 2.67Å; I5-H8 VanDerWaalsContact O-N 3.1Å; I5-D9 WeakPolarHBondContact CG2-OD2 3.49Å; I5-D9 WeakPolarHBondContact O-CB 3.4Å; I5-D9 PolarHBondContact O-N 3.35Å
6L77.3Confident80.3Confident116 Ų11691 Ų9161%0.60747%0.467SS*.Hα-helixtrans-58.3-38.1174.2-96.8162.9000113.9A2 Y10A2-L6 PolarHBondContact O-N 2.97Å; L6-Y10 WeakPolarHBondContact O-CB 3.45Å; L6-Y10 PolarHBondContact O-N 3.31Å; L6-Y10 VanDerWaalsContact O-N 3.08Å
7I81.7Confident81Confident81 Ų8185.6 Ų85.642%0.41544%0.44SS..Hα-helixtrans-69.5-39.3175.1-71.8165.1000111.1L3 Q4 I5 Q11L3-I7 HydrophobicContact CD1-CD1 4.39Å; L3-I7 HydrophobicContact CG-CD1 4.01Å; L3-I7 WeakPolarHBondContact O-CB 3.37Å; L3-I7 WeakPolarHBondContact O-CD1 3.26Å; L3-I7 WeakPolarHBondContact O-CG1 3.48Å; L3-I7 PolarHBondContact O-N 3.31Å; Q4-I7 PolarHBondContact O-N 2.96Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.44Å; I7-Q11 HydrophobicContact CG2-CG 4.5Å; I7-Q11 WeakPolarHBondContact O-CB 3.48Å; I7-Q11 VanDerWaalsContact O-CG 3.29Å; I7-Q11 WeakPolarHBondContact O-CG 3.24Å; I7-Q11 PolarHBondContact O-N 2.96Å
8H80.6Confident81.7Confident112 Ų11284 Ų8452%0.51943%0.427SS..Hα-helixtrans-67.1-52.4176.6-164.6-59.4000111Q4 I5 Y10 Q11 D12Q4-H8 VanDerWaalsContact O-CB 3.31Å; Q4-H8 WeakPolarHBondContact O-CB 3.4Å; Q4-H8 PolarHBondContact O-N 2.79Å; I5-H8 PolarHBondContact O-N 2.67Å; I5-H8 VanDerWaalsContact O-N 3.1Å; H8-Y10 PolarHBondContact O-N 2.66Å; H8-Y10 VanDerWaalsContact O-N 3.16Å; H8-Q11 CarbonylContact O-C 3.57Å; H8-Q11 WeakPolarHBondContact O-CA 3.32Å; H8-Q11 PolarHBondContact O-N 3.45Å; H8-D12 IonicContact CE1-OD1 2.68Å; H8-D12 IonicContact CE1-OD2 3.07Å; H8-D12 PolarHBondContact CE1-OD2 2.86Å; H8-D12 IonicContact ND1-OD1 3.62Å; H8-D12 IonicContact ND1-OD2 3.23Å; H8-D12 PolarHBondContact ND1-OD2 3.49Å; H8-D12 PolarHBondContact O-N 3.17Å
9D81.1Confident82.3Confident88 Ų8882.9 Ų82.947%0.47143%0.432SS..Hα-helixtrans-54.5-36.1176.1-68-18.8000111.7I5 I13I5-D9 WeakPolarHBondContact CG2-OD2 3.49Å; I5-D9 WeakPolarHBondContact O-CB 3.4Å; I5-D9 PolarHBondContact O-N 3.35Å; D9-I13 WeakPolarHBondContact O-CG1 3.33Å
10Y88.9Confident82.9Confident101 Ų10179.9 Ų79.940%0.39642%0.415SS..Hα-helixtrans-76.8-35.4174.7-179.8-101.5000113L6 H8 D12 I13 R18 T22L6-Y10 WeakPolarHBondContact O-CB 3.45Å; L6-Y10 PolarHBondContact O-N 3.31Å; L6-Y10 VanDerWaalsContact O-N 3.08Å; H8-Y10 PolarHBondContact O-N 2.66Å; H8-Y10 VanDerWaalsContact O-N 3.16Å; Y10-D12 VanDerWaalsContact C-N 3.32Å; Y10-I13 HydrophobicContact CD2-CD1 4.03Å; Y10-I13 WeakPolarHBondContact O-CB 3.49Å; Y10-I13 PolarHBondContact O-N 3Å; Y10-R18 HydrophobicContact CD2-CG 4.36Å; Y10-R18 HydrophobicContact CE1-CG 4.19Å; Y10-R18 HydrophobicContact CE2-CG 3.67Å; Y10-R18 VanDerWaalsContact O-CD 3.23Å; Y10-R18 WeakPolarHBondContact O-CD 3.39Å; Y10-R18 PolarHBondContact O-NH1 3.27Å; Y10-R18 VanDerWaalsContact O-NH1 3.07Å; Y10-T22 WeakPolarHBondContact CE2-OG1 3.49Å; Y10-T22 PolarHBondContact OH-OG1 2.84Å; Y10-T22 VanDerWaalsContact OH-OG1 3.09Å
11Q86.2Confident83.4Confident133 Ų13376.8 Ų76.862%0.62140%0.399SS*.Hα-helixtrans-69.3-30.2173-78.7-179.5-14.800112.3I7 H8 I13 R18I7-Q11 HydrophobicContact CG2-CG 4.5Å; I7-Q11 WeakPolarHBondContact O-CB 3.48Å; I7-Q11 VanDerWaalsContact O-CG 3.29Å; I7-Q11 WeakPolarHBondContact O-CG 3.24Å; I7-Q11 PolarHBondContact O-N 2.96Å; H8-Q11 CarbonylContact O-C 3.57Å; H8-Q11 WeakPolarHBondContact O-CA 3.32Å; H8-Q11 PolarHBondContact O-N 3.45Å; Q11-I13 PolarHBondContact O-N 2.89Å; Q11-R18 VanDerWaalsContact C-NH1 3.34Å; Q11-R18 VanDerWaalsContact CA-NH1 3.33Å; Q11-R18 PolarHBondContact O-NH1 3.32Å
12D85.7Confident85.3Confident79 Ų7970.3 Ų70.342%0.42237%0.37SS..THydrogen-bonded Turntrans-74.3-5.1171.2-70.1-32.8000114H8 Y10 R83H8-D12 IonicContact CE1-OD1 2.68Å; H8-D12 IonicContact CE1-OD2 3.07Å; H8-D12 PolarHBondContact CE1-OD2 2.86Å; H8-D12 IonicContact ND1-OD1 3.62Å; H8-D12 IonicContact ND1-OD2 3.23Å; H8-D12 PolarHBondContact ND1-OD2 3.49Å; H8-D12 PolarHBondContact O-N 3.17Å; Y10-D12 VanDerWaalsContact C-N 3.32Å; D12-R83 PolarHBondContact O-NH1 3.23Å; D12-R83 PolarHBondContact O-NH2 2.86Å
13I87.9Confident86.5Confident20 Ų2068.3 Ų68.310%0.10335%0.354CS..SBendtrans-78.3127170.4-53.5178.6000108.8D9 Y10 Q11 T17 R18 Y79D9-I13 WeakPolarHBondContact O-CG1 3.33Å; Y10-I13 HydrophobicContact CD2-CD1 4.03Å; Y10-I13 WeakPolarHBondContact O-CB 3.49Å; Y10-I13 PolarHBondContact O-N 3Å; Q11-I13 PolarHBondContact O-N 2.89Å; I13-T17 HydrophobicContact CG2-CG2 3.66Å; I13-R18 HydrophobicContact CB-CB 3.97Å; I13-R18 HydrophobicContact CB-CG 4.47Å; I13-R18 HydrophobicContact CG2-CB 3.71Å; I13-R18 VanDerWaalsContact O-CZ 3.29Å; I13-R18 PolarHBondContact O-NH1 2.71Å; I13-Y79 HydrophobicContact CD1-CE2 3.9Å; I13-Y79 HydrophobicContact CG1-CE2 4.01Å; I13-Y79 HydrophobicContact CG2-CD2 4.49Å; I13-Y79 HydrophobicContact CG2-CE2 3.97Å
14P88.6Confident87.5Confident23 Ų2362.3 Ų62.315%0.14932%0.322CS..  trans-52151.7174.5-28.635.8000114.1V16 T17 R18 R83 E86 E87P14-V16 PolarHBondContact O-N 3.48Å; P14-T17 PolarHBondContact O-N 2.99Å; P14-R18 WeakPolarHBondContact O-CB 3.4Å; P14-R18 PolarHBondContact O-N 3.17Å; P14-R83 HydrophobicContact CG-CG 4.27Å; P14-E86 HydrophobicContact CB-CB 3.98Å; P14-E86 HydrophobicContact CB-CG 3.66Å; P14-E86 WeakPolarHBondContact CB-OE1 3.43Å; P14-E86 WeakPolarHBondContact CB-OE2 3.22Å; P14-E86 HydrophobicContact CG-CB 4.41Å; P14-E87 HydrophobicContact CG-CG 3.53Å
15I89.2Confident88.5Confident93 Ų9358.9 Ų58.948%0.47731%0.31SS..Hα-helixtrans-58.6-51.1-163.2-63.1174.3000112.6A19 E86 T94I15-A19 WeakPolarHBondContact O-CB 3.3Å; I15-A19 PolarHBondContact O-N 3.36Å; I15-E86 PolarHBondContact N-OE1 2.9Å; I15-T94 HydrophobicContact CB-CG2 4.44Å
16V91Very high89.3Confident9 Ų959.5 Ų59.56%0.05531%0.314CS..Hα-helixtrans-74.3-42.8-175.8-179.20000110.2P14 R18 A19 Y20 E86 T94 F97 F98 F101P14-V16 PolarHBondContact O-N 3.48Å; V16-R18 VanDerWaalsContact C-N 3.3Å; V16-R18 PolarHBondContact O-N 3.27Å; V16-A19 PolarHBondContact O-N 3.49Å; V16-Y20 WeakPolarHBondContact O-CB 3.45Å; V16-Y20 PolarHBondContact O-N 2.86Å; V16-E86 PolarHBondContact N-OE1 3.39Å; V16-T94 HydrophobicContact CG2-CG2 3.82Å; V16-F97 HydrophobicContact CB-CD1 3.69Å; V16-F97 HydrophobicContact CB-CE1 3.85Å; V16-F97 HydrophobicContact CG1-CD1 3.92Å; V16-F97 HydrophobicContact CG1-CE1 3.92Å; V16-F97 HydrophobicContact CG2-CD1 4.03Å; V16-F98 HydrophobicContact CG1-CD2 4.11Å; V16-F98 HydrophobicContact CG2-CD2 4.15Å; V16-F101 HydrophobicContact CG1-CD1 4.31Å; V16-F101 HydrophobicContact CG1-CD2 4.48Å; V16-F101 HydrophobicContact CG1-CE1 4.1Å; V16-F101 HydrophobicContact CG1-CE2 4.3Å; V16-F101 HydrophobicContact CG1-CG 4.5Å; V16-F101 HydrophobicContact CG1-CZ 4.1Å
17T93.1Very high90Very high0 Ų055.2 Ų55.20%029%0.293CS..Hα-helixtrans-53.8-48.6173.3-63.30000110.9I13 P14 Y20 T21 Y79 C82 R83 E86I13-T17 HydrophobicContact CG2-CG2 3.66Å; P14-T17 PolarHBondContact O-N 2.99Å; T17-Y20 PolarHBondContact O-N 2.99Å; T17-T21 HydrophobicContact CG2-CG2 4.46Å; T17-T21 WeakPolarHBondContact O-CG2 3.43Å; T17-T21 PolarHBondContact O-N 3.48Å; T17-T21 PolarHBondContact O-OG1 2.99Å; T17-Y79 HydrophobicContact CG2-CD2 3.97Å; T17-Y79 HydrophobicContact CG2-CE2 4.4Å; T17-C82 HydrophobicContact CG2-CB 3.75Å; T17-C82 VanDerWaalsContact OG1-CB 3.31Å; T17-C82 WeakPolarHBondContact OG1-CB 3.39Å; T17-R83 HydrophobicContact CG2-CB 4.18Å; T17-R83 PolarHBondContact OG1-N 2.99Å; T17-E86 VanDerWaalsContact CB-OE2 3.24Å; T17-E86 WeakPolarHBondContact CB-OE2 3.26Å; T17-E86 PolarHBondContact N-OE2 3.46Å; T17-E86 PolarHBondContact OG1-OE2 3.3Å
18R93.8Very high90.4Very high56 Ų5651.4 Ų51.421%0.21127%0.273CS..Hα-helixtrans-63.5-48.2179.4178.8166.160.6-145.5-3112Y10 Q11 I13 P14 V16 Y20 T21 T22Y10-R18 HydrophobicContact CD2-CG 4.36Å; Y10-R18 HydrophobicContact CE1-CG 4.19Å; Y10-R18 HydrophobicContact CE2-CG 3.67Å; Y10-R18 VanDerWaalsContact O-CD 3.23Å; Y10-R18 WeakPolarHBondContact O-CD 3.39Å; Y10-R18 PolarHBondContact O-NH1 3.27Å; Y10-R18 VanDerWaalsContact O-NH1 3.07Å; Q11-R18 VanDerWaalsContact C-NH1 3.34Å; Q11-R18 VanDerWaalsContact CA-NH1 3.33Å; Q11-R18 PolarHBondContact O-NH1 3.32Å; I13-R18 HydrophobicContact CB-CB 3.97Å; I13-R18 HydrophobicContact CB-CG 4.47Å; I13-R18 HydrophobicContact CG2-CB 3.71Å; I13-R18 VanDerWaalsContact O-CZ 3.29Å; I13-R18 PolarHBondContact O-NH1 2.71Å; P14-R18 WeakPolarHBondContact O-CB 3.4Å; P14-R18 PolarHBondContact O-N 3.17Å; V16-R18 VanDerWaalsContact C-N 3.3Å; V16-R18 PolarHBondContact O-N 3.27Å; R18-Y20 VanDerWaalsContact C-N 3.34Å; R18-Y20 PolarHBondContact O-N 2.83Å; R18-T21 PolarHBondContact O-OG1 3.38Å; R18-T22 WeakPolarHBondContact O-CB 3.38Å; R18-T22 PolarHBondContact O-N 2.8Å; R18-T22 PolarHBondContact O-OG1 3.02Å
19A93.2Very high91Very high63 Ų6349.4 Ų49.452%0.52127%0.266SS..Hα-helixtrans-59.8-46.3178.800000111.1I15 V16 A23I15-A19 WeakPolarHBondContact O-CB 3.3Å; I15-A19 PolarHBondContact O-N 3.36Å; V16-A19 PolarHBondContact O-N 3.49Å; A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 2.97Å
20Y94.6Very high91.5Very high23 Ų2346.4 Ų46.49%0.0925%0.253CS..Hα-helixtrans-70-47.3-178-173.1-120.6000113V16 T17 R18 T22 A23 C24 F61 T78 F101 F124V16-Y20 WeakPolarHBondContact O-CB 3.45Å; V16-Y20 PolarHBondContact O-N 2.86Å; T17-Y20 PolarHBondContact O-N 2.99Å; R18-Y20 VanDerWaalsContact C-N 3.34Å; R18-Y20 PolarHBondContact O-N 2.83Å; Y20-T22 VanDerWaalsContact C-N 3.31Å; Y20-T22 PolarHBondContact O-N 3.46Å; Y20-A23 PolarHBondContact O-N 2.76Å; Y20-C24 PolarHBondContact O-N 2.98Å; Y20-C24 PolarHBondContact O-SG 3.23Å; Y20-F61 HydrophobicContact CE2-CB 4.36Å; Y20-F61 PolarHBondContact OH-O 3.46Å; Y20-T78 HydrophobicContact CD1-CG2 3.71Å; Y20-T78 HydrophobicContact CE1-CG2 3.54Å; Y20-F101 AromaticContact CD1-CE1 4Å; Y20-F101 HydrophobicContact CD1-CE1 4Å; Y20-F101 HydrophobicContact CD1-CZ 4.47Å; Y20-F101 HydrophobicContact CD2-CE1 4.33Å; Y20-F101 HydrophobicContact CE1-CE1 4.48Å; Y20-F101 AromaticContact CG-CE1 3.92Å; Y20-F101 HydrophobicContact CG-CE1 3.92Å; Y20-F124 HydrophobicContact CE1-CD1 4.08Å; Y20-F124 HydrophobicContact CE1-CE1 4.22Å; Y20-F124 AromaticContact CZ-CD1 4Å
21T93.4Very high91.6Very high14 Ų1442.2 Ų42.29%0.08624%0.238CC..Hα-helixtrans-65.2-36.3178.556.80000112T17 R18 C24 V25 I75 T78 Y79T17-T21 HydrophobicContact CG2-CG2 4.46Å; T17-T21 WeakPolarHBondContact O-CG2 3.43Å; T17-T21 PolarHBondContact O-N 3.48Å; T17-T21 PolarHBondContact O-OG1 2.99Å; R18-T21 PolarHBondContact O-OG1 3.38Å; T21-C24 PolarHBondContact O-N 3.4Å; T21-V25 WeakPolarHBondContact O-CG2 3.3Å; T21-V25 PolarHBondContact O-N 3.45Å; T21-I75 HydrophobicContact CG2-CD1 4.35Å; T21-T78 HydrophobicContact CG2-CG2 4.42Å; T21-Y79 HydrophobicContact CG2-CD2 4.44Å
22T94.2Very high91.7Very high38 Ų3840 Ų4023%0.23323%0.228CC..Hα-helixtrans-67.2-43.5175.6-55.20000111.5Y10 R18 Y20 C24 V25 L26Y10-T22 WeakPolarHBondContact CE2-OG1 3.49Å; Y10-T22 PolarHBondContact OH-OG1 2.84Å; Y10-T22 VanDerWaalsContact OH-OG1 3.09Å; R18-T22 WeakPolarHBondContact O-CB 3.38Å; R18-T22 PolarHBondContact O-N 2.8Å; R18-T22 PolarHBondContact O-OG1 3.02Å; Y20-T22 VanDerWaalsContact C-N 3.31Å; Y20-T22 PolarHBondContact O-N 3.46Å; T22-C24 VanDerWaalsContact C-N 3.32Å; T22-C24 PolarHBondContact O-N 3.43Å; T22-V25 PolarHBondContact O-N 3.39Å; T22-L26 HydrophobicContact CG2-CD1 3.97Å; T22-L26 HydrophobicContact CG2-CG 4.41Å; T22-L26 WeakPolarHBondContact O-CB 3.35Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.44Å; T22-L26 PolarHBondContact O-N 3.38Å
23A93.9Very high91.9Very high37 Ų3741.7 Ų41.731%0.30624%0.236SC..Hα-helixtrans-55.5-48.9172.900000110.9A19 Y20 V25 L26 T27A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 2.97Å; Y20-A23 PolarHBondContact O-N 2.76Å; A23-V25 PolarHBondContact O-N 3.09Å; A23-L26 PolarHBondContact O-N 3.48Å; A23-L26 VanDerWaalsContact O-N 3.12Å; A23-T27 PolarHBondContact O-N 2.9Å; A23-T27 PolarHBondContact O-OG1 2.79Å
24C93.7Very high91.9Very high0 Ų048.2 Ų48.20%027%0.271CS..Hα-helixtrans-60.8-39.8179.4-64.50000114Y20 T21 T22 T27 T28 C62 F64 I75Y20-C24 PolarHBondContact O-N 2.98Å; Y20-C24 PolarHBondContact O-SG 3.23Å; T21-C24 PolarHBondContact O-N 3.4Å; T22-C24 VanDerWaalsContact C-N 3.32Å; T22-C24 PolarHBondContact O-N 3.43Å; C24-T27 PolarHBondContact O-OG1 3.22Å; C24-T28 PolarHBondContact O-N 3.09Å; C24-C62 WeakPolarHBondContact CA-O 3.48Å; C24-F64 HydrophobicContact CB-CD2 4.11Å; C24-F64 HydrophobicContact CB-CE2 4Å; C24-I75 HydrophobicContact CB-CD1 3.76Å
25V92.9Very high91.9Very high60 Ų6052.3 Ų52.336%0.36430%0.295SS..Hα-helixtrans-67-40174.2171.90000110.8T21 T22 A23 L29 F71 I75T21-V25 WeakPolarHBondContact O-CG2 3.3Å; T21-V25 PolarHBondContact O-N 3.45Å; T22-V25 PolarHBondContact O-N 3.39Å; A23-V25 PolarHBondContact O-N 3.09Å; V25-L29 VanDerWaalsContact O-CB 3.23Å; V25-L29 WeakPolarHBondContact O-CB 3.41Å; V25-L29 PolarHBondContact O-N 3.36Å; V25-F71 HydrophobicContact CG2-CZ 4.23Å; V25-I75 HydrophobicContact CG2-CG1 4.48Å
26L93.8Very high91.8Very high104 Ų10450.2 Ų50.255%0.54529%0.287SS..Hα-helixtrans-68.6-40.5178.9-72.1171.5000113T22 A23 L29 A30T22-L26 HydrophobicContact CG2-CD1 3.97Å; T22-L26 HydrophobicContact CG2-CG 4.41Å; T22-L26 WeakPolarHBondContact O-CB 3.35Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.44Å; T22-L26 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 3.48Å; A23-L26 VanDerWaalsContact O-N 3.12Å; L26-L29 PolarHBondContact O-N 3.15Å; L26-A30 WeakPolarHBondContact O-CB 3.29Å; L26-A30 PolarHBondContact O-N 2.89Å
27T91.6Very high91.6Very high26 Ų2653.5 Ų53.516%0.1630%0.304CS..Hα-helixtrans-66.1-43.8174.923.10000112.2A23 C24 L29 A30 V31 L41 C62A23-T27 PolarHBondContact O-N 2.9Å; A23-T27 PolarHBondContact O-OG1 2.79Å; C24-T27 PolarHBondContact O-OG1 3.22Å; T27-L29 VanDerWaalsContact C-N 3.32Å; T27-L29 PolarHBondContact O-N 3.39Å; T27-A30 PolarHBondContact O-N 3.31Å; T27-V31 WeakPolarHBondContact O-CG2 3.47Å; T27-V31 PolarHBondContact O-N 3.2Å; T27-V31 VanDerWaalsContact O-N 3.07Å; T27-L41 HydrophobicContact CG2-CD1 4.42Å; T27-L41 HydrophobicContact CG2-CD2 4.4Å; T27-C62 HydrophobicContact CG2-CB 4.22Å; T27-C62 WeakPolarHBondContact OG1-CB 3.49Å; T27-C62 PolarHBondContact OG1-O 3.39Å
28T91.8Very high91.2Very high0 Ų055.9 Ų55.90%032%0.319CS..Hα-helixtrans-65.1-36.1174.5-74.80000111.8C24 Q32 G65 F67 F71C24-T28 PolarHBondContact O-N 3.09Å; T28-Q32 WeakPolarHBondContact O-CB 3.2Å; T28-Q32 PolarHBondContact O-N 3.09Å; T28-G65 WeakPolarHBondContact CG2-O 3.41Å; T28-G65 PolarHBondContact OG1-O 3.48Å; T28-F67 HydrophobicContact CG2-CD1 4.24Å; T28-F67 HydrophobicContact CG2-CD2 3.89Å; T28-F67 HydrophobicContact CG2-CE1 4.15Å; T28-F67 HydrophobicContact CG2-CE2 3.82Å; T28-F67 HydrophobicContact CG2-CG 4.12Å; T28-F67 HydrophobicContact CG2-CZ 3.95Å; T28-F71 HydrophobicContact CG2-CD2 3.8Å; T28-F71 HydrophobicContact CG2-CE2 3.66Å; T28-F71 HydrophobicContact CG2-CG 4.46Å; T28-F71 HydrophobicContact CG2-CZ 4.18Å; T28-F71 VanDerWaalsContact OG1-CE2 3.25Å; T28-F71 WeakPolarHBondContact OG1-CE2 3.3Å
29L92Very high90.8Very high71 Ų7159.9 Ų59.937%0.37234%0.338SS..Hα-helixtrans-67.9-40.8174.2-174.265.5000112.7V25 L26 T27 V31 Q32 L33 F67V25-L29 VanDerWaalsContact O-CB 3.23Å; V25-L29 WeakPolarHBondContact O-CB 3.41Å; V25-L29 PolarHBondContact O-N 3.36Å; L26-L29 PolarHBondContact O-N 3.15Å; T27-L29 VanDerWaalsContact C-N 3.32Å; T27-L29 PolarHBondContact O-N 3.39Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.89Å; L29-Q32 PolarHBondContact O-N 3.21Å; L29-L33 HydrophobicContact CD1-CD1 4.04Å; L29-L33 HydrophobicContact CD1-CG 4.28Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.49Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3.34Å; L29-F67 HydrophobicContact CB-CE2 4.35Å; L29-F67 HydrophobicContact CB-CZ 4.36Å; L29-F67 HydrophobicContact CD1-CE2 4.03Å; L29-F67 HydrophobicContact CD1-CZ 4.39Å
30A91.7Very high90.5Very high25 Ų2560.2 Ų60.221%0.20733%0.331CS..Hα-helixtrans-63.3-38.3177.100000112.1L26 T27 D34 V35 V36L26-A30 WeakPolarHBondContact O-CB 3.29Å; L26-A30 PolarHBondContact O-N 2.89Å; T27-A30 PolarHBondContact O-N 3.31Å; A30-D34 PolarHBondContact O-N 3.49Å; A30-V35 HydrophobicContact CB-CB 4.42Å; A30-V35 WeakPolarHBondContact O-CB 3.28Å; A30-V35 PolarHBondContact O-N 3.38Å; A30-V36 HydrophobicContact CB-CB 4.44Å; A30-V36 HydrophobicContact CB-CG2 4.11Å; A30-V36 PolarHBondContact O-N 3.26Å
31V90.4Very high90.2Very high12 Ų1259.4 Ų59.47%0.07333%0.328CS..Hα-helixtrans-67.4-42.3170.71720000111.6T27 L29 L33 D34 V36 T38 L41 F63 T66T27-V31 WeakPolarHBondContact O-CG2 3.47Å; T27-V31 PolarHBondContact O-N 3.2Å; T27-V31 VanDerWaalsContact O-N 3.07Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.89Å; V31-L33 PolarHBondContact O-N 2.99Å; V31-D34 PolarHBondContact O-N 3.28Å; V31-V36 WeakPolarHBondContact CA-O 3.41Å; V31-V36 WeakPolarHBondContact CG2-O 3.49Å; V31-T38 HydrophobicContact CG1-CG2 3.66Å; V31-T38 HydrophobicContact CG2-CG2 4.48Å; V31-L41 HydrophobicContact CG2-CD1 3.48Å; V31-L41 VanDerWaalsContact CG2-CD1 3.48Å; V31-L41 HydrophobicContact CG2-CG 4.46Å; V31-F63 HydrophobicContact CB-CE2 3.99Å; V31-F63 HydrophobicContact CG1-CE2 4.05Å; V31-F63 HydrophobicContact CG1-CZ 4.17Å; V31-F63 HydrophobicContact CG2-CD2 4.24Å; V31-F63 HydrophobicContact CG2-CE2 3.75Å; V31-F63 HydrophobicContact CG2-CZ 4.42Å; V31-T66 HydrophobicContact CG1-CG2 4.44Å
32Q89Confident90Very high88 Ų8861.1 Ų61.141%0.41133%0.333SS..Hα-helixtrans-66.4-19.2-179.5-163.467.673.800113.7T28 L29 F67T28-Q32 WeakPolarHBondContact O-CB 3.2Å; T28-Q32 PolarHBondContact O-N 3.09Å; L29-Q32 PolarHBondContact O-N 3.21Å; Q32-F67 HydrophobicContact CB-CD2 4.05Å; Q32-F67 HydrophobicContact CB-CE2 4.11Å; Q32-F67 HydrophobicContact CG-CD2 3.83Å; Q32-F67 HydrophobicContact CG-CE2 4.27Å
33L90.8Very high89.8Confident114 Ų11459.6 Ų59.660%0.59732%0.323SS*.THydrogen-bonded Turntrans-10411178.8-64.6174.7000113L29 V31 V35L29-L33 HydrophobicContact CD1-CD1 4.04Å; L29-L33 HydrophobicContact CD1-CG 4.28Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 HydrophobicContact CG-CG 4.49Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3.34Å; V31-L33 PolarHBondContact O-N 2.99Å; L33-V35 HydrophobicContact CB-CG2 3.9Å; L33-V35 PolarHBondContact O-N 3.18Å; L33-V35 VanDerWaalsContact O-N 3.13Å
34D87.4Confident89.5Confident157 Ų15759.4 Ų59.484%0.8432%0.317SS*.THydrogen-bonded Turntrans52.928.1-176-62.8-38.6000114.3A30 V31A30-D34 PolarHBondContact O-N 3.49Å; V31-D34 PolarHBondContact O-N 3.28Å
35V89.3Confident89.1Confident108 Ų10861.8 Ų61.866%0.65533%0.333SS*.SBendtrans-82.4-27.9176.5-178.20000111.3A30 L33A30-V35 HydrophobicContact CB-CB 4.42Å; A30-V35 WeakPolarHBondContact O-CB 3.28Å; A30-V35 PolarHBondContact O-N 3.38Å; L33-V35 HydrophobicContact CB-CG2 3.9Å; L33-V35 PolarHBondContact O-N 3.18Å; L33-V35 VanDerWaalsContact O-N 3.13Å
36V87.2Confident88.7Confident50 Ų5068.1 Ų68.130%0.30335%0.35SS..SBendtrans-142.8132.1177.6-176.80000108.7A30 V31 D40 L41A30-V36 HydrophobicContact CB-CB 4.44Å; A30-V36 HydrophobicContact CB-CG2 4.11Å; A30-V36 PolarHBondContact O-N 3.26Å; V31-V36 WeakPolarHBondContact CA-O 3.41Å; V31-V36 WeakPolarHBondContact CG2-O 3.49Å; V36-D40 HydrophobicContact CG1-CB 4.08Å; V36-L41 HydrophobicContact CG1-CD2 3.57Å; V36-L41 HydrophobicContact CG1-CG 4.12Å
37D86.5Confident88.3Confident78 Ų7865 Ų6542%0.41733%0.333SS..  trans-76.1143.4176.4-164.2-36.9000110.9F39 D40D37-F39 HydrophobicContact CB-CB 4.47Å; D37-F39 PolarHBondContact O-N 2.96Å; D37-F39 VanDerWaalsContact O-N 3.13Å; D37-F39 VanDerWaalsContact OD1-CD2 3.25Å; D37-F39 WeakPolarHBondContact OD1-CD2 3.41Å; D37-F39 PolarHBondContact OD1-N 3.23Å; D37-D40 PolarHBondContact O-N 2.86Å
38T84.8Confident88.2Confident49 Ų4963.8 Ų63.830%0.30133%0.326SS..Hα-helixtrans-44.8-35.1161.153.60000114V31 D40 L41 F63V31-T38 HydrophobicContact CG1-CG2 3.66Å; V31-T38 HydrophobicContact CG2-CG2 4.48Å; T38-D40 PolarHBondContact O-N 3.48Å; T38-L41 PolarHBondContact O-N 2.72Å; T38-F63 HydrophobicContact CG2-CE1 4.11Å; T38-F63 HydrophobicContact CG2-CZ 3.81Å
39F85.3Confident87.9Confident140 Ų14071 Ų7161%0.61436%0.358SS*.Hα-helixtrans-68-17.6176.4-69.6-62.3000113.9D37 Y42 R56D37-F39 HydrophobicContact CB-CB 4.47Å; D37-F39 PolarHBondContact O-N 2.96Å; D37-F39 VanDerWaalsContact O-N 3.13Å; D37-F39 VanDerWaalsContact OD1-CD2 3.25Å; D37-F39 WeakPolarHBondContact OD1-CD2 3.41Å; D37-F39 PolarHBondContact OD1-N 3.23Å; F39-Y42 HydrophobicContact CB-CE1 4.43Å; F39-Y42 HydrophobicContact CD1-CE1 4.14Å; F39-Y42 WeakPolarHBondContact O-CD1 3.36Å; F39-Y42 WeakPolarHBondContact O-CE1 3.41Å; F39-R56 VanDerWaalsContact O-CZ 3.26Å; F39-R56 PolarHBondContact O-NH1 3.4Å; F39-R56 PolarHBondContact O-NH2 3.41Å
40D86.7Confident87.5Confident70 Ų7073.9 Ų73.937%0.37437%0.373SS..Hα-helixtrans-88.2-21.4174.2-71.4-43.1000113.7V36 D37 T38 W55 R56V36-D40 HydrophobicContact CG1-CB 4.08Å; D37-D40 PolarHBondContact O-N 2.86Å; T38-D40 PolarHBondContact O-N 3.48Å; D40-W55 PolarHBondContact O-NE1 2.85Å; D40-R56 PolarHBondContact O-NH1 2.94Å; D40-R56 IonicContact OD1-NH2 2.68Å
41L88.7Confident87.2Confident7 Ų778.7 Ų78.74%0.03739%0.391CS..Hα-helixtrans-89.1-30.1-173.9-57.4-172.1000114.3T27 V31 V36 T38 T59 C60 F63 F119T27-L41 HydrophobicContact CG2-CD1 4.42Å; T27-L41 HydrophobicContact CG2-CD2 4.4Å; V31-L41 HydrophobicContact CG2-CD1 3.48Å; V31-L41 VanDerWaalsContact CG2-CD1 3.48Å; V31-L41 HydrophobicContact CG2-CG 4.46Å; V36-L41 HydrophobicContact CG1-CD2 3.57Å; V36-L41 HydrophobicContact CG1-CG 4.12Å; T38-L41 PolarHBondContact O-N 2.72Å; L41-T59 HydrophobicContact CD2-CG2 4Å; L41-T59 CarbonylContact O-C 3.56Å; L41-T59 PolarHBondContact O-OG1 3.38Å; L41-C60 PolarHBondContact O-N 3.49Å; L41-F63 HydrophobicContact CD1-CB 4.11Å; L41-F63 HydrophobicContact CD1-CD2 3.72Å; L41-F63 HydrophobicContact CD1-CE2 4.33Å; L41-F63 HydrophobicContact CD1-CG 3.96Å; L41-F119 HydrophobicContact CB-CE1 4.14Å
42Y88.7Confident87Confident49 Ų4980.5 Ų80.519%0.19241%0.412CS..SBendtrans-71.2150.6-168.283.6-86000114.1F39 N44 R56 L118F39-Y42 HydrophobicContact CB-CE1 4.43Å; F39-Y42 HydrophobicContact CD1-CE1 4.14Å; F39-Y42 WeakPolarHBondContact O-CD1 3.36Å; F39-Y42 WeakPolarHBondContact O-CE1 3.41Å; Y42-N44 HydrophobicContact CD2-CB 4.19Å; Y42-N44 HydrophobicContact CE2-CB 3.63Å; Y42-N44 PolarHBondContact O-N 3.48Å; Y42-N44 PolarHBondContact OH-ND2 2.65Å; Y42-R56 VanDerWaalsContact CD1-NH1 3.33Å; Y42-R56 WeakPolarHBondContact O-CD 3.45Å; Y42-R56 PolarHBondContact O-NH1 2.91Å; Y42-L118 CarbonylContact C-O 3.6Å; Y42-L118 WeakPolarHBondContact CA-O 3.29Å; Y42-L118 WeakPolarHBondContact CB-O 3.5Å; Y42-L118 HydrophobicContact CD2-CB 4.33Å; Y42-L118 HydrophobicContact CD2-CD2 3.59Å; Y42-L118 HydrophobicContact CE2-CD2 3.92Å
43Y90Very high87.1Confident7 Ų778.2 Ų78.23%0.02740%0.401CS..  trans-67.4119.3176.6-178-109.7000111P45 I48 L57 I109 A112 S113 L118 L120Y43-P45 HydrophobicContact CE1-CG 4.3Å; Y43-I48 HydrophobicContact CD2-CD1 3.61Å; Y43-I48 HydrophobicContact CE2-CD1 3.49Å; Y43-I48 VanDerWaalsContact CE2-CD1 3.49Å; Y43-L57 HydrophobicContact CE2-CD2 4.43Å; Y43-I109 HydrophobicContact CE2-CG2 3.97Å; Y43-A112 HydrophobicContact CD1-CB 4.1Å; Y43-A112 HydrophobicContact CE1-CB 3.94Å; Y43-S113 PolarHBondContact OH-OG 3.04Å; Y43-L118 PolarHBondContact N-O 3.37Å; Y43-L120 HydrophobicContact CD1-CD1 4.44Å; Y43-L120 HydrophobicContact CD2-CD1 4.28Å; Y43-L120 HydrophobicContact CG-CD1 4.03Å
44N88Confident87Confident32 Ų3278 Ų7817%0.17140%0.4CS..  trans-143.4103.8176.3-174.2-36.5000109.8Y42 R46 L47 I48Y42-N44 HydrophobicContact CD2-CB 4.19Å; Y42-N44 HydrophobicContact CE2-CB 3.63Å; Y42-N44 PolarHBondContact O-N 3.48Å; Y42-N44 PolarHBondContact OH-ND2 2.65Å; N44-R46 PolarHBondContact O-N 2.68Å; N44-R46 WeakPolarHBondContact OD1-CB 3.43Å; N44-R46 PolarHBondContact OD1-N 3.37Å; N44-L47 HydrophobicContact CB-CB 4.09Å; N44-L47 HydrophobicContact CB-CD1 4.03Å; N44-L47 HydrophobicContact CB-CG 4.16Å; N44-L47 PolarHBondContact O-N 2.96Å; N44-L47 VanDerWaalsContact O-N 3.1Å; N44-L47 PolarHBondContact OD1-N 2.94Å; N44-L47 VanDerWaalsContact OD1-N 3.16Å; N44-I48 WeakPolarHBondContact O-CG1 3.46Å; N44-I48 PolarHBondContact O-N 3.33Å
45P84.1Confident87.1Confident51 Ų5176.3 Ų76.333%0.33138%0.382SS..Hα-helixtrans-63-28.3-17622.3-31.3000112.8Y43 F49Y43-P45 HydrophobicContact CE1-CG 4.3Å; P45-F49 HydrophobicContact CB-CD2 4.16Å; P45-F49 HydrophobicContact CB-CE2 4.24Å; P45-F49 WeakPolarHBondContact O-CB 3.41Å; P45-F49 WeakPolarHBondContact O-CD2 3.46Å; P45-F49 PolarHBondContact O-N 3.38Å
46R85.1Confident87.2Confident193 Ų19371.5 Ų71.573%0.72835%0.352SS*.Hα-helixtrans-68.6-41.5173.8-78.2-174.6171.6-176.3-2.3112.2N44 L50N44-R46 PolarHBondContact O-N 2.68Å; N44-R46 WeakPolarHBondContact OD1-CB 3.43Å; N44-R46 PolarHBondContact OD1-N 3.37Å; R46-L50 HydrophobicContact CB-CD1 4.2Å; R46-L50 HydrophobicContact CG-CD1 4.19Å; R46-L50 WeakPolarHBondContact O-CB 3.49Å; R46-L50 PolarHBondContact O-N 3.42Å
47L85.8Confident87.4Confident37 Ų3771.5 Ų71.519%0.19435%0.35CS..Hα-helixtrans-72.3-36.4177.9-65.9176.1000111.9N44 H51 G52 Q53N44-L47 HydrophobicContact CB-CB 4.09Å; N44-L47 HydrophobicContact CB-CD1 4.03Å; N44-L47 HydrophobicContact CB-CG 4.16Å; N44-L47 PolarHBondContact O-N 2.96Å; N44-L47 VanDerWaalsContact O-N 3.1Å; N44-L47 PolarHBondContact OD1-N 2.94Å; N44-L47 VanDerWaalsContact OD1-N 3.16Å; L47-H51 CarbonylContact O-C 3.54Å; L47-H51 WeakPolarHBondContact O-CA 3.39Å; L47-H51 WeakPolarHBondContact O-CB 3.43Å; L47-H51 PolarHBondContact O-N 2.98Å; L47-G52 PolarHBondContact O-N 2.97Å; L47-Q53 HydrophobicContact CB-CB 4.48Å; L47-Q53 PolarHBondContact O-N 2.92Å
48I88.1Confident87.6Confident2 Ų273.5 Ų73.51%0.0136%0.36CS..Hα-helixtrans-62.3-57.5175.2-67.8162000110.4Y43 N44 G52 L54 R56 L57Y43-I48 HydrophobicContact CD2-CD1 3.61Å; Y43-I48 HydrophobicContact CE2-CD1 3.49Å; Y43-I48 VanDerWaalsContact CE2-CD1 3.49Å; N44-I48 WeakPolarHBondContact O-CG1 3.46Å; N44-I48 PolarHBondContact O-N 3.33Å; I48-G52 WeakPolarHBondContact O-CA 3.37Å; I48-G52 PolarHBondContact O-N 3.19Å; I48-L54 HydrophobicContact CG2-CD2 4.41Å; I48-R56 HydrophobicContact CD1-CB 3.92Å; I48-R56 HydrophobicContact CG1-CB 3.73Å; I48-L57 HydrophobicContact CD1-CD2 3.97Å; I48-L57 HydrophobicContact CD1-CG 4.16Å; I48-L57 HydrophobicContact CG2-CD1 4.05Å; I48-L57 HydrophobicContact CG2-CD2 4.17Å; I48-L57 HydrophobicContact CG2-CG 4.03Å
49F85.9Confident87.9Confident152 Ų15272.2 Ų72.267%0.66735%0.352SS*.Hα-helixtrans-85.8-28-169.9-63.7-61.4000115.1P45P45-F49 HydrophobicContact CB-CD2 4.16Å; P45-F49 HydrophobicContact CB-CE2 4.24Å; P45-F49 WeakPolarHBondContact O-CB 3.41Å; P45-F49 WeakPolarHBondContact O-CD2 3.46Å; P45-F49 PolarHBondContact O-N 3.38Å
50L83.4Confident88.2Confident131 Ų13165.6 Ų65.669%0.68632%0.323SS*.Hα-helixtrans-96.2-24.4178.9-62.2160.1000113.6R46R46-L50 HydrophobicContact CB-CD1 4.2Å; R46-L50 HydrophobicContact CG-CD1 4.19Å; R46-L50 WeakPolarHBondContact O-CB 3.49Å; R46-L50 PolarHBondContact O-N 3.42Å
51H86.2Confident88.5Confident125 Ų12563.1 Ų63.158%0.57931%0.309SS*.Hα-helixtrans-120.47.2-174.2-57.476000113.3L47 Q53L47-H51 CarbonylContact O-C 3.54Å; L47-H51 WeakPolarHBondContact O-CA 3.39Å; L47-H51 WeakPolarHBondContact O-CB 3.43Å; L47-H51 PolarHBondContact O-N 2.98Å; H51-Q53 HydrophobicContact CB-CG 4.18Å; H51-Q53 PolarHBondContact O-N 3.31Å
52G86Confident88.7Confident50 Ų5063.3 Ų63.352%0.51531%0.31SS..  trans65.720.4174.700000114.8L47 I48 L54L47-G52 PolarHBondContact O-N 2.97Å; I48-G52 WeakPolarHBondContact O-CA 3.37Å; I48-G52 PolarHBondContact O-N 3.19Å; G52-L54 PolarHBondContact O-N 2.84Å
53Q90.5Very high88.8Confident40 Ų4061.5 Ų61.519%0.18730%0.304CS..  trans-78.757.9-176.6-59-162.2-1400111.9L47 H51 W55 R56L47-Q53 HydrophobicContact CB-CB 4.48Å; L47-Q53 PolarHBondContact O-N 2.92Å; H51-Q53 HydrophobicContact CB-CG 4.18Å; H51-Q53 PolarHBondContact O-N 3.31Å; Q53-W55 HydrophobicContact CB-CD2 4.37Å; Q53-W55 HydrophobicContact CB-CE3 4.34Å; Q53-W55 HydrophobicContact CB-CH2 3.74Å; Q53-W55 HydrophobicContact CB-CZ2 3.73Å; Q53-W55 HydrophobicContact CB-CZ3 4.04Å; Q53-W55 HydrophobicContact CG-CH2 3.51Å; Q53-W55 HydrophobicContact CG-CZ2 3.76Å; Q53-W55 HydrophobicContact CG-CZ3 4.12Å; Q53-W55 PolarHBondContact O-N 3.28Å; Q53-R56 HydrophobicContact CB-CG 4.37Å; Q53-R56 WeakPolarHBondContact O-CB 3.39Å; Q53-R56 PolarHBondContact O-N 2.91Å; Q53-R56 VanDerWaalsContact O-N 3.14Å
54L90Very high88.7Confident110 Ų11061.9 Ų61.958%0.57631%0.306SS*.THydrogen-bonded Turntrans-61.8-25.5-169.8-64.2177.3000113.8I48 G52 R56 L57I48-L54 HydrophobicContact CG2-CD2 4.41Å; G52-L54 PolarHBondContact O-N 2.84Å; L54-R56 PolarHBondContact O-N 3.49Å; L54-R56 VanDerWaalsContact O-N 3.16Å; L54-L57 HydrophobicContact CD2-CD1 4.16Å; L54-L57 WeakPolarHBondContact O-CB 3.46Å; L54-L57 PolarHBondContact O-N 2.8Å
55W89.5Confident88.5Confident122 Ų12261.5 Ų61.546%0.46231%0.309SS..THydrogen-bonded Turntrans-57.3-29.7176.263.885.3000112.6D40 Q53 L57 I58 T59D40-W55 PolarHBondContact O-NE1 2.85Å; Q53-W55 HydrophobicContact CB-CD2 4.37Å; Q53-W55 HydrophobicContact CB-CE3 4.34Å; Q53-W55 HydrophobicContact CB-CH2 3.74Å; Q53-W55 HydrophobicContact CB-CZ2 3.73Å; Q53-W55 HydrophobicContact CB-CZ3 4.04Å; Q53-W55 HydrophobicContact CG-CH2 3.51Å; Q53-W55 HydrophobicContact CG-CZ2 3.76Å; Q53-W55 HydrophobicContact CG-CZ3 4.12Å; Q53-W55 PolarHBondContact O-N 3.28Å; W55-L57 PolarHBondContact O-N 2.68Å; W55-L57 VanDerWaalsContact O-N 3.11Å; W55-I58 PolarHBondContact O-N 2.78Å; W55-T59 PolarHBondContact O-N 2.83Å; W55-T59 PolarHBondContact O-OG1 2.87Å
56R91.2Very high88.6Confident6 Ų662.7 Ų62.72%0.02332%0.316CS..Hα-helixtrans-61-17.7176.7-66.4179.7-178.7-84.5-5.1114.1F39 D40 Y42 I48 Q53 L54 I58 T59 C60F39-R56 VanDerWaalsContact O-CZ 3.26Å; F39-R56 PolarHBondContact O-NH1 3.4Å; F39-R56 PolarHBondContact O-NH2 3.41Å; D40-R56 PolarHBondContact O-NH1 2.94Å; D40-R56 IonicContact OD1-NH2 2.68Å; Y42-R56 VanDerWaalsContact CD1-NH1 3.33Å; Y42-R56 WeakPolarHBondContact O-CD 3.45Å; Y42-R56 PolarHBondContact O-NH1 2.91Å; I48-R56 HydrophobicContact CD1-CB 3.92Å; I48-R56 HydrophobicContact CG1-CB 3.73Å; Q53-R56 HydrophobicContact CB-CG 4.37Å; Q53-R56 WeakPolarHBondContact O-CB 3.39Å; Q53-R56 PolarHBondContact O-N 2.91Å; Q53-R56 VanDerWaalsContact O-N 3.14Å; L54-R56 PolarHBondContact O-N 3.49Å; L54-R56 VanDerWaalsContact O-N 3.16Å; R56-I58 VanDerWaalsContact C-N 3.26Å; R56-T59 WeakPolarHBondContact CA-OG1 3.47Å; R56-C60 WeakPolarHBondContact O-CB 3.33Å; R56-C60 PolarHBondContact O-SG 2.76Å
57L90.1Very high88.8Confident51 Ų5158 Ų5827%0.26730%0.3SS..Hα-helixtrans-73.5-17.7172.9-67.7165000112.8Y43 I48 L54 W55 F61 I109Y43-L57 HydrophobicContact CE2-CD2 4.43Å; I48-L57 HydrophobicContact CD1-CD2 3.97Å; I48-L57 HydrophobicContact CD1-CG 4.16Å; I48-L57 HydrophobicContact CG2-CD1 4.05Å; I48-L57 HydrophobicContact CG2-CD2 4.17Å; I48-L57 HydrophobicContact CG2-CG 4.03Å; L54-L57 HydrophobicContact CD2-CD1 4.16Å; L54-L57 WeakPolarHBondContact O-CB 3.46Å; L54-L57 PolarHBondContact O-N 2.8Å; W55-L57 PolarHBondContact O-N 2.68Å; W55-L57 VanDerWaalsContact O-N 3.11Å; L57-F61 WeakPolarHBondContact O-CD2 3.43Å; L57-F61 WeakPolarHBondContact O-CE2 3.39Å; L57-I109 HydrophobicContact CD2-CD1 4.01Å; L57-I109 HydrophobicContact CD2-CG2 4.2Å
58I90.8Very high88.8Confident119 Ų11958.2 Ų58.261%0.6131%0.312SS*.Hα-helixtrans-110.4-49.1179.4-58.8174.6000109.8W55 R56 C60 F61 C62W55-I58 PolarHBondContact O-N 2.78Å; R56-I58 VanDerWaalsContact C-N 3.26Å; I58-C60 PolarHBondContact O-N 3.2Å; I58-C60 VanDerWaalsContact O-N 3.15Å; I58-F61 WeakPolarHBondContact O-CB 3.39Å; I58-F61 PolarHBondContact O-N 3.2Å; I58-C62 PolarHBondContact O-N 2.97Å
59T91.6Very high88.5Confident23 Ų2366 Ų6614%0.14135%0.346CS..Hα-helixtrans-62.8-26.8-174.155.90000113.8L41 W55 R56 F61 C62 F63L41-T59 HydrophobicContact CD2-CG2 4Å; L41-T59 CarbonylContact O-C 3.56Å; L41-T59 PolarHBondContact O-OG1 3.38Å; W55-T59 PolarHBondContact O-N 2.83Å; W55-T59 PolarHBondContact O-OG1 2.87Å; R56-T59 WeakPolarHBondContact CA-OG1 3.47Å; T59-F61 PolarHBondContact O-N 3.02Å; T59-C62 PolarHBondContact O-N 3.39Å; T59-C62 VanDerWaalsContact O-N 3.16Å; T59-F63 PolarHBondContact O-N 3.11Å
60C91.9Very high88.2Confident0 Ų062 Ų620%034%0.337CS..THydrogen-bonded Turntrans-64.3-24.1176.1640000113.2L41 R56 I58 L120 G121L41-C60 PolarHBondContact O-N 3.49Å; R56-C60 WeakPolarHBondContact O-CB 3.33Å; R56-C60 PolarHBondContact O-SG 2.76Å; I58-C60 PolarHBondContact O-N 3.2Å; I58-C60 VanDerWaalsContact O-N 3.15Å; C60-L120 HydrophobicContact CB-CD1 4.43Å; C60-L120 PolarHBondContact O-N 3.24Å; C60-G121 PolarHBondContact O-N 3.31Å
61F93.6Very high88.5Confident18 Ų1856.3 Ų56.38%0.07931%0.306CS..THydrogen-bonded Turntrans-83.7-34.6173.1-66.5-79.4000111.8Y20 L57 I58 T59 F63 M108 I109 L120 G121 F124Y20-F61 HydrophobicContact CE2-CB 4.36Å; Y20-F61 PolarHBondContact OH-O 3.46Å; L57-F61 WeakPolarHBondContact O-CD2 3.43Å; L57-F61 WeakPolarHBondContact O-CE2 3.39Å; I58-F61 WeakPolarHBondContact O-CB 3.39Å; I58-F61 PolarHBondContact O-N 3.2Å; T59-F61 PolarHBondContact O-N 3.02Å; F61-F63 VanDerWaalsContact C-N 3.31Å; F61-F63 PolarHBondContact O-N 3.06Å; F61-M108 HydrophobicContact CE1-CB 4.4Å; F61-M108 HydrophobicContact CE1-CG 4.31Å; F61-M108 HydrophobicContact CZ-CB 4.43Å; F61-I109 HydrophobicContact CE2-CD1 4Å; F61-I109 HydrophobicContact CE2-CG1 4.01Å; F61-I109 HydrophobicContact CZ-CD1 4.33Å; F61-I109 HydrophobicContact CZ-CG1 4.01Å; F61-L120 HydrophobicContact CD1-CB 3.77Å; F61-L120 HydrophobicContact CE1-CB 3.61Å; F61-L120 HydrophobicContact CE1-CD1 4.48Å; F61-L120 HydrophobicContact CE2-CD1 4.48Å; F61-L120 HydrophobicContact CG-CB 4.37Å; F61-L120 HydrophobicContact CZ-CB 4.08Å; F61-L120 HydrophobicContact CZ-CD1 4.12Å; F61-G121 WeakPolarHBondContact O-CA 3.46Å; F61-F124 HydrophobicContact CD1-CB 3.86Å; F61-F124 AromaticContact CD1-CD2 3.79Å; F61-F124 HydrophobicContact CD1-CD2 3.79Å; F61-F124 AromaticContact CD1-CG 3.99Å; F61-F124 HydrophobicContact CD1-CG 3.99Å; F61-F124 HydrophobicContact CE1-CB 4.26Å; F61-F124 AromaticContact CE1-CD2 3.78Å; F61-F124 HydrophobicContact CE1-CD2 3.78Å; F61-F124 HydrophobicContact CE1-CG 4.36Å
62C92.4Very high88.7Confident11 Ų1154.4 Ų54.47%0.07430%0.3CS..SBendtrans-81.32.6-175.4-59.20000115.2C24 T27 I58 T59C24-C62 WeakPolarHBondContact CA-O 3.48Å; T27-C62 HydrophobicContact CG2-CB 4.22Å; T27-C62 WeakPolarHBondContact OG1-CB 3.49Å; T27-C62 PolarHBondContact OG1-O 3.39Å; I58-C62 PolarHBondContact O-N 2.97Å; T59-C62 PolarHBondContact O-N 3.39Å; T59-C62 VanDerWaalsContact O-N 3.16Å
63F90.5Very high88.6Confident11 Ų1155.7 Ų55.75%0.04829%0.291CS..  trans-114122.4179.6-169-109000112.8V31 T38 L41 T59 F61 G65 F119V31-F63 HydrophobicContact CB-CE2 3.99Å; V31-F63 HydrophobicContact CG1-CE2 4.05Å; V31-F63 HydrophobicContact CG1-CZ 4.17Å; V31-F63 HydrophobicContact CG2-CD2 4.24Å; V31-F63 HydrophobicContact CG2-CE2 3.75Å; V31-F63 HydrophobicContact CG2-CZ 4.42Å; T38-F63 HydrophobicContact CG2-CE1 4.11Å; T38-F63 HydrophobicContact CG2-CZ 3.81Å; L41-F63 HydrophobicContact CD1-CB 4.11Å; L41-F63 HydrophobicContact CD1-CD2 3.72Å; L41-F63 HydrophobicContact CD1-CE2 4.33Å; L41-F63 HydrophobicContact CD1-CG 3.96Å; T59-F63 PolarHBondContact O-N 3.11Å; F61-F63 VanDerWaalsContact C-N 3.31Å; F61-F63 PolarHBondContact O-N 3.06Å; F63-G65 VanDerWaalsContact CZ-CA 3.44Å; F63-F119 HydrophobicContact CB-CD1 3.99Å; F63-F119 HydrophobicContact CB-CE1 4.18Å; F63-F119 AromaticContact CD1-CD1 3.66Å; F63-F119 HydrophobicContact CD1-CD1 3.66Å; F63-F119 HydrophobicContact CD1-CD2 4.29Å; F63-F119 AromaticContact CD1-CE1 3.45Å; F63-F119 HydrophobicContact CD1-CE1 3.45Å; F63-F119 VanDerWaalsContact CD1-CE1 3.45Å; F63-F119 HydrophobicContact CD1-CE2 4.12Å; F63-F119 HydrophobicContact CD1-CG 4.08Å; F63-F119 AromaticContact CD1-CZ 3.7Å; F63-F119 HydrophobicContact CD1-CZ 3.7Å; F63-F119 HydrophobicContact CE1-CE1 4.19Å; F63-F119 HydrophobicContact CE1-CE2 4.27Å; F63-F119 AromaticContact CE1-CZ 3.98Å; F63-F119 HydrophobicContact CE1-CZ 3.98Å; F63-F119 HydrophobicContact CG-CD1 4.28Å; F63-F119 HydrophobicContact CG-CE1 4.14Å
64F87.4Confident88.4Confident16 Ų1654.7 Ų54.77%0.0729%0.287CS..  trans-113.711.5179.2-70.3-71.5000113.4C24 F71 N74 I75 T78 G121 T125C24-F64 HydrophobicContact CB-CD2 4.11Å; C24-F64 HydrophobicContact CB-CE2 4Å; F64-F71 HydrophobicContact CB-CD2 3.82Å; F64-F71 HydrophobicContact CB-CE2 4.36Å; F64-N74 HydrophobicContact CB-CB 4.27Å; F64-N74 HydrophobicContact CD1-CB 3.47Å; F64-N74 VanDerWaalsContact CD1-CB 3.47Å; F64-N74 HydrophobicContact CE1-CB 3.84Å; F64-N74 HydrophobicContact CG-CB 3.95Å; F64-I75 HydrophobicContact CD2-CD1 4.46Å; F64-I75 HydrophobicContact CE2-CD1 4.23Å; F64-T78 WeakPolarHBondContact CZ-OG1 3.49Å; F64-G121 WeakPolarHBondContact CE1-O 3.39Å; F64-T125 VanDerWaalsContact CE1-OG1 3.32Å; F64-T125 WeakPolarHBondContact CE1-OG1 3.38Å; F64-T125 WeakPolarHBondContact CZ-OG1 3.49Å
65G85.8Confident88.5Confident23 Ų2350.4 Ų50.424%0.23727%0.265CS..  trans99.4179.5-169.900000113.3T28 F63T28-G65 WeakPolarHBondContact CG2-O 3.41Å; T28-G65 PolarHBondContact OG1-O 3.48Å; F63-G65 VanDerWaalsContact CZ-CA 3.44Å
66T86.1Confident88.6Confident77 Ų7748.9 Ų48.947%0.47227%0.265SS..SBendtrans-70.3167.717249.30000111.7V31 G68 F71V31-T66 HydrophobicContact CG1-CG2 4.44Å; T66-G68 PolarHBondContact O-N 2.91Å; T66-F71 WeakPolarHBondContact O-CB 3.38Å
67F88Confident88.5Confident94 Ų9450.1 Ų50.141%0.41227%0.271SS..SBendtrans-62.7125.6179.8-71.9-76.2000111.7T28 L29 Q32 F71T28-F67 HydrophobicContact CG2-CD1 4.24Å; T28-F67 HydrophobicContact CG2-CD2 3.89Å; T28-F67 HydrophobicContact CG2-CE1 4.15Å; T28-F67 HydrophobicContact CG2-CE2 3.82Å; T28-F67 HydrophobicContact CG2-CG 4.12Å; T28-F67 HydrophobicContact CG2-CZ 3.95Å; L29-F67 HydrophobicContact CB-CE2 4.35Å; L29-F67 HydrophobicContact CB-CZ 4.36Å; L29-F67 HydrophobicContact CD1-CE2 4.03Å; L29-F67 HydrophobicContact CD1-CZ 4.39Å; Q32-F67 HydrophobicContact CB-CD2 4.05Å; Q32-F67 HydrophobicContact CB-CE2 4.11Å; Q32-F67 HydrophobicContact CG-CD2 3.83Å; Q32-F67 HydrophobicContact CG-CE2 4.27Å; F67-F71 AromaticContact CD1-CD1 3.91Å; F67-F71 HydrophobicContact CD1-CD1 3.91Å; F67-F71 AromaticContact CD1-CE1 3.8Å; F67-F71 HydrophobicContact CD1-CE1 3.8Å; F67-F71 HydrophobicContact CD1-CZ 4.45Å; F67-F71 HydrophobicContact CE1-CD1 4.3Å; F67-F71 AromaticContact CE1-CE1 3.71Å; F67-F71 HydrophobicContact CE1-CE1 3.71Å; F67-F71 HydrophobicContact CE1-CZ 4.06Å
68G85.5Confident88.6Confident42 Ų4247.7 Ų47.743%0.43326%0.258SS..SBendtrans172.8-176.4-177.400000111.6T66 S70 F71 L72T66-G68 PolarHBondContact O-N 2.91Å; G68-S70 VanDerWaalsContact C-N 3.3Å; G68-S70 PolarHBondContact O-N 3.37Å; G68-F71 PolarHBondContact O-N 3.24Å; G68-L72 WeakPolarHBondContact O-CB 3.32Å; G68-L72 PolarHBondContact O-N 3.04Å
69F81.9Confident88.7Confident166 Ų16646 Ų4673%0.72825%0.245SC*.Hα-helixtrans-60-36.3-173.9-120.9-81.6000113.7L72 F73F69-L72 PolarHBondContact O-N 3.43Å; F69-F73 HydrophobicContact CD1-CD2 4.24Å; F69-F73 HydrophobicContact CE1-CE2 4.39Å; F69-F73 PolarHBondContact O-N 2.83Å
70S81.2Confident88.8Confident67 Ų6750 Ų5047%0.46926%0.257SS..Hα-helixtrans-68.9-46.2178.5-167.10000112.1G68 L72 F73 N74G68-S70 VanDerWaalsContact C-N 3.3Å; G68-S70 PolarHBondContact O-N 3.37Å; S70-L72 VanDerWaalsContact C-N 3.33Å; S70-L72 PolarHBondContact O-N 3.43Å; S70-F73 PolarHBondContact O-N 3.17Å; S70-N74 WeakPolarHBondContact O-CB 3.42Å; S70-N74 PolarHBondContact O-N 3.21Å; S70-N74 PolarHBondContact O-ND2 3.35Å
71F89.2Confident88.8Confident11 Ų1150.2 Ų50.25%0.04826%0.258CS..Hα-helixtrans-56.9-47.3172174.3-89.4000111.1V25 T28 F64 T66 F67 G68 F73 N74 I75V25-F71 HydrophobicContact CG2-CZ 4.23Å; T28-F71 HydrophobicContact CG2-CD2 3.8Å; T28-F71 HydrophobicContact CG2-CE2 3.66Å; T28-F71 HydrophobicContact CG2-CG 4.46Å; T28-F71 HydrophobicContact CG2-CZ 4.18Å; T28-F71 VanDerWaalsContact OG1-CE2 3.25Å; T28-F71 WeakPolarHBondContact OG1-CE2 3.3Å; F64-F71 HydrophobicContact CB-CD2 3.82Å; F64-F71 HydrophobicContact CB-CE2 4.36Å; T66-F71 WeakPolarHBondContact O-CB 3.38Å; F67-F71 AromaticContact CD1-CD1 3.91Å; F67-F71 HydrophobicContact CD1-CD1 3.91Å; F67-F71 AromaticContact CD1-CE1 3.8Å; F67-F71 HydrophobicContact CD1-CE1 3.8Å; F67-F71 HydrophobicContact CD1-CZ 4.45Å; F67-F71 HydrophobicContact CE1-CD1 4.3Å; F67-F71 AromaticContact CE1-CE1 3.71Å; F67-F71 HydrophobicContact CE1-CE1 3.71Å; F67-F71 HydrophobicContact CE1-CZ 4.06Å; G68-F71 PolarHBondContact O-N 3.24Å; F71-F73 PolarHBondContact O-N 3.11Å; F71-N74 PolarHBondContact O-N 3.47Å; F71-I75 HydrophobicContact CD1-CG2 4.35Å; F71-I75 HydrophobicContact CE1-CB 4.39Å; F71-I75 HydrophobicContact CE1-CG2 4.03Å; F71-I75 HydrophobicContact CZ-CB 4.41Å; F71-I75 HydrophobicContact CZ-CG1 4.49Å; F71-I75 WeakPolarHBondContact O-CB 3.01Å; F71-I75 WeakPolarHBondContact O-CG2 3.44Å; F71-I75 PolarHBondContact O-N 3.02Å
72L89Confident88.8Confident86 Ų8649.4 Ų49.445%0.4525%0.254SS..Hα-helixtrans-59.9-44.3-179.9-169.671.4000112G68 F69 S70 I76G68-L72 WeakPolarHBondContact O-CB 3.32Å; G68-L72 PolarHBondContact O-N 3.04Å; F69-L72 PolarHBondContact O-N 3.43Å; S70-L72 VanDerWaalsContact C-N 3.33Å; S70-L72 PolarHBondContact O-N 3.43Å; L72-I76 HydrophobicContact CD1-CD1 4.13Å; L72-I76 HydrophobicContact CG-CD1 3.88Å; L72-I76 WeakPolarHBondContact O-CB 3.33Å; L72-I76 WeakPolarHBondContact O-CD1 3.4Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.12Å; L72-I76 VanDerWaalsContact O-N 3.08Å
73F85.2Confident88.8Confident76 Ų7651.5 Ų51.533%0.33326%0.261SS..Hα-helixtrans-63.8-48.5176.4-113-92.3000112.2F69 S70 F71 I75 I76 F77 F144F69-F73 HydrophobicContact CD1-CD2 4.24Å; F69-F73 HydrophobicContact CE1-CE2 4.39Å; F69-F73 PolarHBondContact O-N 2.83Å; S70-F73 PolarHBondContact O-N 3.17Å; F71-F73 PolarHBondContact O-N 3.11Å; F73-I75 PolarHBondContact O-N 3.49Å; F73-I76 PolarHBondContact O-N 3.26Å; F73-F77 HydrophobicContact CD1-CD2 4.02Å; F73-F77 AromaticContact CD1-CE2 3.7Å; F73-F77 HydrophobicContact CD1-CE2 3.7Å; F73-F77 HydrophobicContact CE1-CD2 4.44Å; F73-F77 AromaticContact CE1-CE2 3.69Å; F73-F77 HydrophobicContact CE1-CE2 3.69Å; F73-F77 HydrophobicContact CE1-CZ 4.38Å; F73-F77 WeakPolarHBondContact O-CB 3.33Å; F73-F77 WeakPolarHBondContact O-CD2 3.01Å; F73-F77 PolarHBondContact O-N 3.09Å; F73-F144 HydrophobicContact CE1-CZ 4.06Å; F73-F144 AromaticContact CZ-CE1 3.85Å; F73-F144 HydrophobicContact CZ-CE1 3.85Å; F73-F144 AromaticContact CZ-CZ 3.56Å; F73-F144 HydrophobicContact CZ-CZ 3.56Å
74N86.9Confident88.7Confident19 Ų1953.7 Ų53.710%0.10227%0.272CS..Hα-helixtrans-64.2-41.5-178.4-74.6-32.8000112.3F64 S70 F71 T78 Q122F64-N74 HydrophobicContact CB-CB 4.27Å; F64-N74 HydrophobicContact CD1-CB 3.47Å; F64-N74 VanDerWaalsContact CD1-CB 3.47Å; F64-N74 HydrophobicContact CE1-CB 3.84Å; F64-N74 HydrophobicContact CG-CB 3.95Å; S70-N74 WeakPolarHBondContact O-CB 3.42Å; S70-N74 PolarHBondContact O-N 3.21Å; S70-N74 PolarHBondContact O-ND2 3.35Å; F71-N74 PolarHBondContact O-N 3.47Å; N74-T78 VanDerWaalsContact O-CB 3.28Å; N74-T78 WeakPolarHBondContact O-CB 3.4Å; N74-T78 PolarHBondContact O-N 3.05Å; N74-T78 PolarHBondContact O-OG1 3.29Å; N74-Q122 PolarHBondContact ND2-NE2 3.12Å; N74-Q122 VanDerWaalsContact ND2-NE2 3.17Å; N74-Q122 PolarHBondContact OD1-NE2 2.76Å
75I91.9Very high88.8Confident21 Ų2153 Ų5311%0.10827%0.268CS..Hα-helixtrans-71.7-36.7179.2-158.964.4000112T21 C24 V25 F64 F71 F73 T78 Y79T21-I75 HydrophobicContact CG2-CD1 4.35Å; C24-I75 HydrophobicContact CB-CD1 3.76Å; V25-I75 HydrophobicContact CG2-CG1 4.48Å; F64-I75 HydrophobicContact CD2-CD1 4.46Å; F64-I75 HydrophobicContact CE2-CD1 4.23Å; F71-I75 HydrophobicContact CD1-CG2 4.35Å; F71-I75 HydrophobicContact CE1-CB 4.39Å; F71-I75 HydrophobicContact CE1-CG2 4.03Å; F71-I75 HydrophobicContact CZ-CB 4.41Å; F71-I75 HydrophobicContact CZ-CG1 4.49Å; F71-I75 WeakPolarHBondContact O-CB 3.01Å; F71-I75 WeakPolarHBondContact O-CG2 3.44Å; F71-I75 PolarHBondContact O-N 3.02Å; F73-I75 PolarHBondContact O-N 3.49Å; I75-T78 PolarHBondContact O-N 2.98Å; I75-Y79 VanDerWaalsContact O-CB 3.31Å; I75-Y79 WeakPolarHBondContact O-CB 3.39Å; I75-Y79 PolarHBondContact O-N 2.89Å
76I90.3Very high89Confident89 Ų8952.4 Ų52.446%0.45626%0.26SS..Hα-helixtrans-64.9-44.4174.5-72.9172.2000110.9L72 F73 R80L72-I76 HydrophobicContact CD1-CD1 4.13Å; L72-I76 HydrophobicContact CG-CD1 3.88Å; L72-I76 WeakPolarHBondContact O-CB 3.33Å; L72-I76 WeakPolarHBondContact O-CD1 3.4Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.12Å; L72-I76 VanDerWaalsContact O-N 3.08Å; F73-I76 PolarHBondContact O-N 3.26Å; I76-R80 WeakPolarHBondContact O-CB 3.24Å; I76-R80 PolarHBondContact O-N 2.78Å
77F89.5Confident88.9Confident33 Ų3352.1 Ų52.115%0.14525%0.253CS..Hα-helixtrans-63.7-46.7175.9-90.2-117.8000110.9F73 R80 Y81 T125 V129 L158F73-F77 HydrophobicContact CD1-CD2 4.02Å; F73-F77 AromaticContact CD1-CE2 3.7Å; F73-F77 HydrophobicContact CD1-CE2 3.7Å; F73-F77 HydrophobicContact CE1-CD2 4.44Å; F73-F77 AromaticContact CE1-CE2 3.69Å; F73-F77 HydrophobicContact CE1-CE2 3.69Å; F73-F77 HydrophobicContact CE1-CZ 4.38Å; F73-F77 WeakPolarHBondContact O-CB 3.33Å; F73-F77 WeakPolarHBondContact O-CD2 3.01Å; F73-F77 PolarHBondContact O-N 3.09Å; F77-R80 PolarHBondContact O-N 3.01Å; F77-Y81 HydrophobicContact CB-CD2 4.37Å; F77-Y81 HydrophobicContact CB-CE2 4.46Å; F77-Y81 HydrophobicContact CD1-CD2 4.13Å; F77-Y81 AromaticContact CD1-CE2 3.56Å; F77-Y81 HydrophobicContact CD1-CE2 3.56Å; F77-Y81 AromaticContact CE1-CE2 3.94Å; F77-Y81 HydrophobicContact CE1-CE2 3.94Å; F77-Y81 HydrophobicContact CG-CE2 4.12Å; F77-Y81 WeakPolarHBondContact O-CD2 3.33Å; F77-Y81 PolarHBondContact O-N 3.33Å; F77-T125 HydrophobicContact CB-CG2 3.72Å; F77-V129 HydrophobicContact CD1-CG2 4.22Å; F77-L158 HydrophobicContact CD1-CD1 4.23Å; F77-L158 HydrophobicContact CE1-CD1 3.86Å; F77-L158 HydrophobicContact CE1-CD2 3.75Å; F77-L158 HydrophobicContact CE1-CG 4.42Å; F77-L158 HydrophobicContact CZ-CD2 4.17Å
78T92.3Very high88.4Confident0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-56.3-55.7176.8-60.40000111.3Y20 T21 F64 N74 I75 R80 Y81 C82 T125Y20-T78 HydrophobicContact CD1-CG2 3.71Å; Y20-T78 HydrophobicContact CE1-CG2 3.54Å; T21-T78 HydrophobicContact CG2-CG2 4.42Å; F64-T78 WeakPolarHBondContact CZ-OG1 3.49Å; N74-T78 VanDerWaalsContact O-CB 3.28Å; N74-T78 WeakPolarHBondContact O-CB 3.4Å; N74-T78 PolarHBondContact O-N 3.05Å; N74-T78 PolarHBondContact O-OG1 3.29Å; I75-T78 PolarHBondContact O-N 2.98Å; T78-R80 PolarHBondContact O-N 2.97Å; T78-Y81 PolarHBondContact O-N 3.35Å; T78-C82 WeakPolarHBondContact O-CB 3.49Å; T78-C82 PolarHBondContact O-N 3.23Å; T78-C82 PolarHBondContact O-SG 2.84Å; T78-T125 WeakPolarHBondContact OG1-CG2 3.38Å; T78-T125 PolarHBondContact OG1-OG1 2.98Å
79Y93.7Very high88.1Confident84 Ų8451.4 Ų51.433%0.32924%0.24SC..Hα-helixtrans-53.8-50.6177.8169.5-113.8000112.1I13 T17 T21 I75 R83I13-Y79 HydrophobicContact CD1-CE2 3.9Å; I13-Y79 HydrophobicContact CG1-CE2 4.01Å; I13-Y79 HydrophobicContact CG2-CD2 4.49Å; I13-Y79 HydrophobicContact CG2-CE2 3.97Å; T17-Y79 HydrophobicContact CG2-CD2 3.97Å; T17-Y79 HydrophobicContact CG2-CE2 4.4Å; T21-Y79 HydrophobicContact CG2-CD2 4.44Å; I75-Y79 VanDerWaalsContact O-CB 3.31Å; I75-Y79 WeakPolarHBondContact O-CB 3.39Å; I75-Y79 PolarHBondContact O-N 2.89Å; Y79-R83 WeakPolarHBondContact O-CB 3.27Å; Y79-R83 PolarHBondContact O-N 2.62Å; Y79-R83 PolarHBondContact OH-NH1 2.77Å
80R91.8Very high88.1Confident107 Ų10743.6 Ų43.640%0.40421%0.206SC..Hα-helixtrans-59.2-52.1-178.7174.4178.1162.6111.81.2112.1I76 F77 T78 M84I76-R80 WeakPolarHBondContact O-CB 3.24Å; I76-R80 PolarHBondContact O-N 2.78Å; F77-R80 PolarHBondContact O-N 3.01Å; T78-R80 PolarHBondContact O-N 2.97Å; R80-M84 HydrophobicContact CG-SD 4.1Å; R80-M84 WeakPolarHBondContact O-CB 3.29Å; R80-M84 WeakPolarHBondContact O-CG 3.33Å; R80-M84 PolarHBondContact O-N 3.33Å
81Y92.8Very high87.7Confident4 Ų449.7 Ų49.72%0.01622%0.219CC..Hα-helixtrans-82.4-26.7-173-63.4-67.9000113.4F77 T78 L85 V129 W132 M141 L154F77-Y81 HydrophobicContact CB-CD2 4.37Å; F77-Y81 HydrophobicContact CB-CE2 4.46Å; F77-Y81 HydrophobicContact CD1-CD2 4.13Å; F77-Y81 AromaticContact CD1-CE2 3.56Å; F77-Y81 HydrophobicContact CD1-CE2 3.56Å; F77-Y81 AromaticContact CE1-CE2 3.94Å; F77-Y81 HydrophobicContact CE1-CE2 3.94Å; F77-Y81 HydrophobicContact CG-CE2 4.12Å; F77-Y81 WeakPolarHBondContact O-CD2 3.33Å; F77-Y81 PolarHBondContact O-N 3.33Å; T78-Y81 PolarHBondContact O-N 3.35Å; Y81-L85 WeakPolarHBondContact O-CD1 3.2Å; Y81-L85 VanDerWaalsContact O-CG 3.32Å; Y81-L85 WeakPolarHBondContact O-CG 3.43Å; Y81-L85 PolarHBondContact O-N 2.87Å; Y81-V129 HydrophobicContact CD2-CG2 3.43Å; Y81-V129 VanDerWaalsContact CD2-CG2 3.43Å; Y81-V129 HydrophobicContact CE2-CG2 3.85Å; Y81-V129 HydrophobicContact CG-CG2 3.95Å; Y81-W132 HydrophobicContact CD1-CB 4.16Å; Y81-W132 AromaticContact CD1-CD2 3.63Å; Y81-W132 HydrophobicContact CD1-CD2 3.63Å; Y81-W132 AromaticContact CD1-CE3 3.81Å; Y81-W132 HydrophobicContact CD1-CE3 3.81Å; Y81-W132 AromaticContact CD1-CG 3.76Å; Y81-W132 HydrophobicContact CD1-CG 3.76Å; Y81-W132 AromaticContact CE1-CD2 3.73Å; Y81-W132 HydrophobicContact CE1-CD2 3.73Å; Y81-W132 AromaticContact CE1-CE3 3.51Å; Y81-W132 HydrophobicContact CE1-CE3 3.51Å; Y81-W132 HydrophobicContact CE1-CG 4.35Å; Y81-W132 HydrophobicContact CE1-CH2 4.27Å; Y81-W132 HydrophobicContact CE1-CZ2 4.44Å; Y81-W132 AromaticContact CE1-CZ3 3.81Å; Y81-W132 HydrophobicContact CE1-CZ3 3.81Å; Y81-M141 WeakPolarHBondContact OH-CE 3.48Å; Y81-L154 HydrophobicContact CE1-CD2 4.33Å
82C93Very high86.8Confident0 Ų055.9 Ų55.90%025%0.252CS..Hα-helixtrans-60.9-57.2164.6-70.80000110.6T17 T78 M84 L85 E86 F97 L128T17-C82 HydrophobicContact CG2-CB 3.75Å; T17-C82 VanDerWaalsContact OG1-CB 3.31Å; T17-C82 WeakPolarHBondContact OG1-CB 3.39Å; T78-C82 WeakPolarHBondContact O-CB 3.49Å; T78-C82 PolarHBondContact O-N 3.23Å; T78-C82 PolarHBondContact O-SG 2.84Å; C82-M84 VanDerWaalsContact C-N 3.32Å; C82-M84 PolarHBondContact O-N 3.49Å; C82-L85 PolarHBondContact O-N 2.9Å; C82-E86 PolarHBondContact O-N 2.9Å; C82-F97 HydrophobicContact CB-CZ 4.45Å; C82-L128 WeakPolarHBondContact SG-CD1 3.46Å
83R92.1Very high86.5Confident56 Ų5655.6 Ų55.621%0.21125%0.245CC..Hα-helixtrans-55.7-47-178.8-177.8169.1-174.3138.319111.5D12 P14 T17 Y79 L85 E86 E87D12-R83 PolarHBondContact O-NH1 3.23Å; D12-R83 PolarHBondContact O-NH2 2.86Å; P14-R83 HydrophobicContact CG-CG 4.27Å; T17-R83 HydrophobicContact CG2-CB 4.18Å; T17-R83 PolarHBondContact OG1-N 2.99Å; Y79-R83 WeakPolarHBondContact O-CB 3.27Å; Y79-R83 PolarHBondContact O-N 2.62Å; Y79-R83 PolarHBondContact OH-NH1 2.77Å; R83-L85 VanDerWaalsContact C-N 3.25Å; R83-L85 PolarHBondContact O-N 3.14Å; R83-E86 PolarHBondContact O-N 2.89Å; R83-E87 VanDerWaalsContact CG-CD 3.48Å; R83-E87 HydrophobicContact CG-CG 4.09Å; R83-E87 WeakPolarHBondContact CG-OE2 2.96Å; R83-E87 IonicContact CZ-OE1 3.47Å; R83-E87 VanDerWaalsContact NE-CD 3.26Å; R83-E87 IonicContact NE-OE1 2.69Å; R83-E87 PolarHBondContact NE-OE1 2.96Å; R83-E87 IonicContact NE-OE2 2.73Å; R83-E87 PolarHBondContact NE-OE2 2.86Å; R83-E87 VanDerWaalsContact NE-OE2 3.13Å; R83-E87 IonicContact NH2-OE1 3.8Å; R83-E87 PolarHBondContact NH2-OE1 3.4Å; R83-E87 WeakPolarHBondContact O-CB 3.49Å; R83-E87 WeakPolarHBondContact O-CG 3.3Å; R83-E87 PolarHBondContact O-N 3.36Å
84M89.1Confident86.6Confident57 Ų5752.9 Ų52.928%0.28124%0.235SC..Hα-helixtrans-67-19.7179.4-70.9-174.384.800114.4R80 C82 N88 W132R80-M84 HydrophobicContact CG-SD 4.1Å; R80-M84 WeakPolarHBondContact O-CB 3.29Å; R80-M84 WeakPolarHBondContact O-CG 3.33Å; R80-M84 PolarHBondContact O-N 3.33Å; C82-M84 VanDerWaalsContact C-N 3.32Å; C82-M84 PolarHBondContact O-N 3.49Å; M84-N88 WeakPolarHBondContact O-CB 3.3Å; M84-N88 PolarHBondContact O-ND2 3.32Å; M84-W132 HydrophobicContact CE-CZ2 3.71Å; M84-W132 HydrophobicContact SD-CZ2 4.2Å
85L90.2Very high86.6Confident0 Ų052 Ų520%023%0.23CC..Hα-helixtrans-85.4-48.7170.8-74.7168.8000111.2Y81 C82 R83 E87 W89 F90 F97 M100 L128 I131 W132Y81-L85 WeakPolarHBondContact O-CD1 3.2Å; Y81-L85 VanDerWaalsContact O-CG 3.32Å; Y81-L85 WeakPolarHBondContact O-CG 3.43Å; Y81-L85 PolarHBondContact O-N 2.87Å; C82-L85 PolarHBondContact O-N 2.9Å; R83-L85 VanDerWaalsContact C-N 3.25Å; R83-L85 PolarHBondContact O-N 3.14Å; L85-E87 PolarHBondContact O-N 3.4Å; L85-W89 WeakPolarHBondContact O-CA 3.44Å; L85-W89 WeakPolarHBondContact O-CB 3.37Å; L85-W89 PolarHBondContact O-N 2.88Å; L85-F90 PolarHBondContact O-N 2.89Å; L85-F97 HydrophobicContact CB-CD2 4.44Å; L85-F97 HydrophobicContact CB-CE2 3.57Å; L85-F97 HydrophobicContact CB-CZ 4.19Å; L85-F97 HydrophobicContact CD1-CE2 4.45Å; L85-M100 HydrophobicContact CD1-CE 4.21Å; L85-M100 HydrophobicContact CD1-SD 4.38Å; L85-L128 HydrophobicContact CD1-CB 4.45Å; L85-L128 HydrophobicContact CD1-CD2 3.99Å; L85-I131 HydrophobicContact CD1-CG2 4.5Å; L85-I131 HydrophobicContact CD2-CG2 4.16Å; L85-W132 HydrophobicContact CD1-CB 4.39Å; L85-W132 HydrophobicContact CD2-CB 4.09Å; L85-W132 HydrophobicContact CG-CB 4.16Å
86E90.6Very high86.4Confident12 Ų1252 Ų526%0.05623%0.23CC..Hα-helixtrans-60.1-47.2-177.9-156.2168.3165.900111.4P14 I15 V16 T17 C82 R83 F90 R91 F97P14-E86 HydrophobicContact CB-CB 3.98Å; P14-E86 HydrophobicContact CB-CG 3.66Å; P14-E86 WeakPolarHBondContact CB-OE1 3.43Å; P14-E86 WeakPolarHBondContact CB-OE2 3.22Å; P14-E86 HydrophobicContact CG-CB 4.41Å; I15-E86 PolarHBondContact N-OE1 2.9Å; V16-E86 PolarHBondContact N-OE1 3.39Å; T17-E86 VanDerWaalsContact CB-OE2 3.24Å; T17-E86 WeakPolarHBondContact CB-OE2 3.26Å; T17-E86 PolarHBondContact N-OE2 3.46Å; T17-E86 PolarHBondContact OG1-OE2 3.3Å; C82-E86 PolarHBondContact O-N 2.9Å; R83-E86 PolarHBondContact O-N 2.89Å; E86-F90 CarbonylContact O-C 3.56Å; E86-F90 PolarHBondContact O-N 3.28Å; E86-R91 PolarHBondContact O-N 2.97Å; E86-R91 VanDerWaalsContact O-N 3.14Å; E86-F97 HydrophobicContact CB-CD1 3.89Å; E86-F97 HydrophobicContact CB-CE1 3.63Å; E86-F97 HydrophobicContact CB-CE2 4.42Å; E86-F97 HydrophobicContact CB-CG 4.41Å; E86-F97 HydrophobicContact CB-CZ 3.9Å; E86-F97 HydrophobicContact CG-CD1 3.5Å; E86-F97 VanDerWaalsContact CG-CD1 3.5Å; E86-F97 HydrophobicContact CG-CE1 3.67Å; E86-F97 HydrophobicContact CG-CG 4.15Å; E86-F97 HydrophobicContact CG-CZ 4.42Å; E86-F97 WeakPolarHBondContact OE2-CE1 3Å
87E82.7Confident86.4Confident70 Ų7047.7 Ų47.733%0.32721%0.208SC..THydrogen-bonded Turntrans-74.3-35.3-178.1-65-179.5142.200114.7P14 R83 L85P14-E87 HydrophobicContact CG-CG 3.53Å; R83-E87 VanDerWaalsContact CG-CD 3.48Å; R83-E87 HydrophobicContact CG-CG 4.09Å; R83-E87 WeakPolarHBondContact CG-OE2 2.96Å; R83-E87 IonicContact CZ-OE1 3.47Å; R83-E87 VanDerWaalsContact NE-CD 3.26Å; R83-E87 IonicContact NE-OE1 2.69Å; R83-E87 PolarHBondContact NE-OE1 2.96Å; R83-E87 IonicContact NE-OE2 2.73Å; R83-E87 PolarHBondContact NE-OE2 2.86Å; R83-E87 VanDerWaalsContact NE-OE2 3.13Å; R83-E87 IonicContact NH2-OE1 3.8Å; R83-E87 PolarHBondContact NH2-OE1 3.4Å; R83-E87 WeakPolarHBondContact O-CB 3.49Å; R83-E87 WeakPolarHBondContact O-CG 3.3Å; R83-E87 PolarHBondContact O-N 3.36Å; L85-E87 PolarHBondContact O-N 3.4Å
88N78.2Confident86.6Confident79 Ų7949.8 Ų49.842%0.42222%0.218SC..THydrogen-bonded Turntrans-102.8-22.3-169.4-58.6-82.3000114M84M84-N88 WeakPolarHBondContact O-CB 3.3Å; M84-N88 PolarHBondContact O-ND2 3.32Å
89W78Confident86.5Confident42 Ų4250 Ų5016%0.15922%0.219CC..THydrogen-bonded Turntrans-121.6-29.2-174.2-69.785.5000113.5L85 R93 R135 L221L85-W89 WeakPolarHBondContact O-CA 3.44Å; L85-W89 WeakPolarHBondContact O-CB 3.37Å; L85-W89 PolarHBondContact O-N 2.88Å; W89-R93 PolarHBondContact O-NH2 3.33Å; W89-R135 HydrophobicContact CD2-CB 4.22Å; W89-R135 HydrophobicContact CD2-CG 4.4Å; W89-R135 HydrophobicContact CE3-CG 4.32Å; W89-R135 HydrophobicContact CH2-CB 3.93Å; W89-R135 HydrophobicContact CH2-CG 4.27Å; W89-R135 HydrophobicContact CZ2-CB 3.62Å; W89-R135 HydrophobicContact CZ2-CG 4.37Å; W89-R135 WeakPolarHBondContact CZ2-O 3.08Å; W89-R135 HydrophobicContact CZ3-CB 4.36Å; W89-R135 HydrophobicContact CZ3-CG 4.24Å; W89-L221 HydrophobicContact CD2-CD1 4.18Å; W89-L221 HydrophobicContact CH2-CD1 3.86Å; W89-L221 HydrophobicContact CZ2-CD1 3.41Å; W89-L221 VanDerWaalsContact CZ2-CD1 3.41Å; W89-L221 HydrophobicContact CZ3-CD1 4.38Å
90F82.2Confident86.5Confident3 Ų346 Ų461%0.01320%0.204CC..SBendtrans-120.726.7-177.8-60.6-86.6000112.8L85 E86 N92 R93 D96 F97 M100 R135L85-F90 PolarHBondContact O-N 2.89Å; E86-F90 CarbonylContact O-C 3.56Å; E86-F90 PolarHBondContact O-N 3.28Å; F90-N92 PolarHBondContact O-N 3.43Å; F90-R93 CarbonylContact O-C 3.58Å; F90-R93 WeakPolarHBondContact O-CA 3.49Å; F90-R93 PolarHBondContact O-N 2.95Å; F90-D96 HydrophobicContact CD1-CB 3.66Å; F90-D96 HydrophobicContact CE1-CB 3.92Å; F90-F97 HydrophobicContact CB-CB 3.7Å; F90-F97 HydrophobicContact CB-CD2 4.32Å; F90-F97 HydrophobicContact CB-CG 4.26Å; F90-F97 HydrophobicContact CD1-CB 4.12Å; F90-F97 HydrophobicContact CD2-CB 4.18Å; F90-F97 AromaticContact CD2-CD2 3.38Å; F90-F97 HydrophobicContact CD2-CD2 3.38Å; F90-F97 HydrophobicContact CD2-CE2 4.14Å; F90-F97 HydrophobicContact CD2-CG 4.15Å; F90-F97 AromaticContact CE2-CD2 3.69Å; F90-F97 HydrophobicContact CE2-CD2 3.69Å; F90-F97 HydrophobicContact CE2-CE2 4.33Å; F90-F97 HydrophobicContact CG-CB 3.77Å; F90-F97 AromaticContact CG-CD2 3.91Å; F90-F97 HydrophobicContact CG-CD2 3.91Å; F90-F97 HydrophobicContact CG-CG 4.23Å; F90-F97 HydrophobicContact CZ-CD2 4.43Å; F90-M100 HydrophobicContact CE2-SD 3.98Å; F90-M100 HydrophobicContact CZ-CB 4.34Å; F90-M100 HydrophobicContact CZ-SD 4.07Å; F90-R135 VanDerWaalsContact CZ-NH1 3.25Å
91R72.9Confident86.6Confident194 Ų19442 Ų4273%0.73219%0.189SC*.THydrogen-bonded Turntrans-58.4128.6176.5-159.3175.5-174.6-177.52.5109.9E86 R93E86-R91 PolarHBondContact O-N 2.97Å; E86-R91 VanDerWaalsContact O-N 3.14Å; R91-R93 PolarHBondContact O-N 3.42Å
92N71.2Confident86.5Confident141 Ų14145.8 Ų45.875%0.75421%0.209SC*.THydrogen-bonded Turntrans56.121-173-55.712.1000114.2F90F90-N92 PolarHBondContact O-N 3.43Å
93R81.9Confident86.6Confident81 Ų8149.9 Ų49.931%0.30623%0.225SC..  trans-137.553.2178.1-62.9-171-64.9131-4.6110.1W89 F90 R91 A95 D96 F97 D210W89-R93 PolarHBondContact O-NH2 3.33Å; F90-R93 CarbonylContact O-C 3.58Å; F90-R93 WeakPolarHBondContact O-CA 3.49Å; F90-R93 PolarHBondContact O-N 2.95Å; R91-R93 PolarHBondContact O-N 3.42Å; R93-A95 PolarHBondContact O-N 2.89Å; R93-D96 HydrophobicContact CB-CB 4.15Å; R93-D96 IonicContact CZ-OD2 2.69Å; R93-D96 IonicContact NH1-OD2 2.87Å; R93-D96 PolarHBondContact NH1-OD2 3.03Å; R93-D96 WeakPolarHBondContact O-CB 3.45Å; R93-D96 PolarHBondContact O-N 2.95Å; R93-F97 PolarHBondContact O-N 3.45Å; R93-F97 VanDerWaalsContact O-N 3.16Å; R93-D210 VanDerWaalsContact C-OD2 3.28Å; R93-D210 WeakPolarHBondContact CA-OD2 3.42Å
94T86.9Confident86.6Confident18 Ų1847.2 Ų47.211%0.1122%0.216CC..Hα-helixtrans-60.4-34.1-178.1-36.50000111.4I15 V16 F97 F98 L209 D210I15-T94 HydrophobicContact CB-CG2 4.44Å; V16-T94 HydrophobicContact CG2-CG2 3.82Å; T94-F97 PolarHBondContact O-N 3.07Å; T94-F98 WeakPolarHBondContact O-CB 3.48Å; T94-F98 PolarHBondContact O-N 3.22Å; T94-L209 HydrophobicContact CG2-CB 4.46Å; T94-D210 WeakPolarHBondContact CA-OD1 3.28Å; T94-D210 WeakPolarHBondContact CB-OD1 3.31Å; T94-D210 VanDerWaalsContact N-CG 3.29Å; T94-D210 PolarHBondContact N-OD1 3.35Å; T94-D210 PolarHBondContact N-OD2 2.99Å; T94-D210 PolarHBondContact OG1-OD1 3.27Å
95A87.4Confident86.8Confident0 Ų044.9 Ų44.90%021%0.206CC..Hα-helixtrans-66.7-41.8174.400000112.3R93 F97 F98 A99 T201 L205 K206 L209 D210R93-A95 PolarHBondContact O-N 2.89Å; A95-F97 VanDerWaalsContact C-N 3.3Å; A95-F97 PolarHBondContact O-N 2.92Å; A95-F98 PolarHBondContact O-N 2.9Å; A95-A99 WeakPolarHBondContact O-CB 3.49Å; A95-A99 PolarHBondContact O-N 3.2Å; A95-T201 HydrophobicContact CB-CG2 3.76Å; A95-L205 HydrophobicContact CB-CB 4.33Å; A95-L205 WeakPolarHBondContact CB-O 3.48Å; A95-K206 HydrophobicContact CB-CB 4.46Å; A95-K206 HydrophobicContact CB-CG 4.16Å; A95-L209 HydrophobicContact CB-CB 4.19Å; A95-L209 HydrophobicContact CB-CD1 4.48Å; A95-D210 WeakPolarHBondContact CB-OD2 3.35Å; A95-D210 PolarHBondContact N-OD2 3.48Å
96D87.2Confident86.9Confident21 Ų2148.8 Ų48.811%0.11223%0.23CC..Hα-helixtrans-63-37.9174.5-73.6-9.9000110.9F90 R93 A99 M100 T201F90-D96 HydrophobicContact CD1-CB 3.66Å; F90-D96 HydrophobicContact CE1-CB 3.92Å; R93-D96 HydrophobicContact CB-CB 4.15Å; R93-D96 IonicContact CZ-OD2 2.69Å; R93-D96 IonicContact NH1-OD2 2.87Å; R93-D96 PolarHBondContact NH1-OD2 3.03Å; R93-D96 WeakPolarHBondContact O-CB 3.45Å; R93-D96 PolarHBondContact O-N 2.95Å; D96-A99 PolarHBondContact O-N 2.94Å; D96-M100 PolarHBondContact O-N 3.12Å; D96-T201 VanDerWaalsContact OD1-CB 3.32Å; D96-T201 WeakPolarHBondContact OD1-CB 3.44Å; D96-T201 PolarHBondContact OD1-OG1 2.87Å
97F91.9Very high87.1Confident0 Ų050.8 Ų50.80%024%0.241CC..Hα-helixtrans-68.3-40.3175.5-169.7-125.3000112.6V16 C82 L85 E86 F90 R93 T94 A95 A99 M100 F101V16-F97 HydrophobicContact CB-CD1 3.69Å; V16-F97 HydrophobicContact CB-CE1 3.85Å; V16-F97 HydrophobicContact CG1-CD1 3.92Å; V16-F97 HydrophobicContact CG1-CE1 3.92Å; V16-F97 HydrophobicContact CG2-CD1 4.03Å; C82-F97 HydrophobicContact CB-CZ 4.45Å; L85-F97 HydrophobicContact CB-CD2 4.44Å; L85-F97 HydrophobicContact CB-CE2 3.57Å; L85-F97 HydrophobicContact CB-CZ 4.19Å; L85-F97 HydrophobicContact CD1-CE2 4.45Å; E86-F97 HydrophobicContact CB-CD1 3.89Å; E86-F97 HydrophobicContact CB-CE1 3.63Å; E86-F97 HydrophobicContact CB-CE2 4.42Å; E86-F97 HydrophobicContact CB-CG 4.41Å; E86-F97 HydrophobicContact CB-CZ 3.9Å; E86-F97 HydrophobicContact CG-CD1 3.5Å; E86-F97 VanDerWaalsContact CG-CD1 3.5Å; E86-F97 HydrophobicContact CG-CE1 3.67Å; E86-F97 HydrophobicContact CG-CG 4.15Å; E86-F97 HydrophobicContact CG-CZ 4.42Å; E86-F97 WeakPolarHBondContact OE2-CE1 3Å; F90-F97 HydrophobicContact CB-CB 3.7Å; F90-F97 HydrophobicContact CB-CD2 4.32Å; F90-F97 HydrophobicContact CB-CG 4.26Å; F90-F97 HydrophobicContact CD1-CB 4.12Å; F90-F97 HydrophobicContact CD2-CB 4.18Å; F90-F97 AromaticContact CD2-CD2 3.38Å; F90-F97 HydrophobicContact CD2-CD2 3.38Å; F90-F97 HydrophobicContact CD2-CE2 4.14Å; F90-F97 HydrophobicContact CD2-CG 4.15Å; F90-F97 AromaticContact CE2-CD2 3.69Å; F90-F97 HydrophobicContact CE2-CD2 3.69Å; F90-F97 HydrophobicContact CE2-CE2 4.33Å; F90-F97 HydrophobicContact CG-CB 3.77Å; F90-F97 AromaticContact CG-CD2 3.91Å; F90-F97 HydrophobicContact CG-CD2 3.91Å; F90-F97 HydrophobicContact CG-CG 4.23Å; F90-F97 HydrophobicContact CZ-CD2 4.43Å; R93-F97 PolarHBondContact O-N 3.45Å; R93-F97 VanDerWaalsContact O-N 3.16Å; T94-F97 PolarHBondContact O-N 3.07Å; A95-F97 VanDerWaalsContact C-N 3.3Å; A95-F97 PolarHBondContact O-N 2.92Å; F97-A99 VanDerWaalsContact C-N 3.33Å; F97-M100 HydrophobicContact CD2-CE 3.69Å; F97-M100 HydrophobicContact CD2-SD 4.42Å; F97-M100 HydrophobicContact CE2-CE 3.35Å; F97-M100 HydrophobicContact CE2-SD 4.4Å; F97-M100 HydrophobicContact CZ-CE 4.22Å; F97-M100 WeakPolarHBondContact O-CB 3.06Å; F97-M100 PolarHBondContact O-N 2.78Å; F97-F101 HydrophobicContact CD1-CE2 4.34Å; F97-F101 HydrophobicContact CE1-CD2 4.46Å; F97-F101 AromaticContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CZ 4.24Å; F97-F101 AromaticContact CE2-CE2 3.97Å; F97-F101 HydrophobicContact CE2-CE2 3.97Å; F97-F101 HydrophobicContact CZ-CD2 4.42Å; F97-F101 AromaticContact CZ-CE2 3.52Å; F97-F101 HydrophobicContact CZ-CE2 3.52Å; F97-F101 HydrophobicContact CZ-CZ 4.22Å; F97-F101 WeakPolarHBondContact O-CD2 3.31Å; F97-F101 PolarHBondContact O-N 3.01Å
98F92.3Very high87.6Confident77 Ų7747.5 Ų47.534%0.33823%0.225SC..Hα-helixtrans-68.6-33.1175.3-162.4-94.1000112V16 T94 A95 F101 L102 L205 L209V16-F98 HydrophobicContact CG1-CD2 4.11Å; V16-F98 HydrophobicContact CG2-CD2 4.15Å; T94-F98 WeakPolarHBondContact O-CB 3.48Å; T94-F98 PolarHBondContact O-N 3.22Å; A95-F98 PolarHBondContact O-N 2.9Å; F98-F101 WeakPolarHBondContact O-CB 3.2Å; F98-F101 PolarHBondContact O-N 3.13Å; F98-L102 HydrophobicContact CD1-CD1 3.85Å; F98-L102 HydrophobicContact CD1-CG 4.21Å; F98-L102 HydrophobicContact CE1-CD1 3.87Å; F98-L102 HydrophobicContact CE1-CD2 4.47Å; F98-L102 HydrophobicContact CE1-CG 4.07Å; F98-L102 PolarHBondContact O-N 2.97Å; F98-L205 HydrophobicContact CD1-CD1 4.33Å; F98-L205 HydrophobicContact CD1-CD2 3.58Å; F98-L205 HydrophobicContact CE1-CD2 4.12Å; F98-L205 HydrophobicContact CG-CD2 4.4Å; F98-L209 HydrophobicContact CB-CD1 3.76Å; F98-L209 HydrophobicContact CD1-CD1 4.43Å; F98-L209 HydrophobicContact CG-CD1 4.02Å
99A90.6Very high88.2Confident4 Ų445.2 Ų45.23%0.03321%0.213CC..Hα-helixtrans-63.7-39.7170.800000112A95 D96 F97 F101 L102 Y103 T201A95-A99 WeakPolarHBondContact O-CB 3.49Å; A95-A99 PolarHBondContact O-N 3.2Å; D96-A99 PolarHBondContact O-N 2.94Å; F97-A99 VanDerWaalsContact C-N 3.33Å; A99-F101 VanDerWaalsContact C-N 3.29Å; A99-F101 PolarHBondContact O-N 3.32Å; A99-L102 PolarHBondContact O-N 3.35Å; A99-Y103 HydrophobicContact CB-CD2 4.29Å; A99-Y103 HydrophobicContact CB-CE2 4.12Å; A99-Y103 WeakPolarHBondContact O-CD2 3.21Å; A99-Y103 PolarHBondContact O-N 2.87Å; A99-T201 HydrophobicContact CB-CG2 4.16Å
100M92.9Very high88.9Confident0 Ų046.7 Ų46.70%023%0.226CC..Hα-helixtrans-57.7-40.9171.4-176.4-162.573.100112L85 F90 D96 F97 G104 L128 I131 Y182L85-M100 HydrophobicContact CD1-CE 4.21Å; L85-M100 HydrophobicContact CD1-SD 4.38Å; F90-M100 HydrophobicContact CE2-SD 3.98Å; F90-M100 HydrophobicContact CZ-CB 4.34Å; F90-M100 HydrophobicContact CZ-SD 4.07Å; D96-M100 PolarHBondContact O-N 3.12Å; F97-M100 HydrophobicContact CD2-CE 3.69Å; F97-M100 HydrophobicContact CD2-SD 4.42Å; F97-M100 HydrophobicContact CE2-CE 3.35Å; F97-M100 HydrophobicContact CE2-SD 4.4Å; F97-M100 HydrophobicContact CZ-CE 4.22Å; F97-M100 WeakPolarHBondContact O-CB 3.06Å; F97-M100 PolarHBondContact O-N 2.78Å; M100-G104 PolarHBondContact O-N 2.8Å; M100-L128 HydrophobicContact CE-CD2 3.48Å; M100-L128 VanDerWaalsContact CE-CD2 3.48Å; M100-I131 HydrophobicContact CG-CD1 4.1Å; M100-I131 HydrophobicContact SD-CD1 3.83Å; M100-I131 HydrophobicContact SD-CG2 4.23Å; M100-Y182 HydrophobicContact CB-CE1 4.43Å; M100-Y182 HydrophobicContact CB-CE2 3.79Å; M100-Y182 HydrophobicContact CG-CD1 4.13Å; M100-Y182 HydrophobicContact CG-CD2 4.02Å; M100-Y182 HydrophobicContact CG-CE1 3.81Å; M100-Y182 HydrophobicContact CG-CE2 3.66Å; M100-Y182 HydrophobicContact CG-CG 4.26Å; M100-Y182 HydrophobicContact SD-CE1 4.38Å
101F93.7Very high89.3Confident24 Ų2448.9 Ų48.911%0.10524%0.238CC..Hα-helixtrans-62.4-46.5174.9-88.8-127.2000111.8V16 Y20 F97 F98 A99 G105 F124 L128V16-F101 HydrophobicContact CG1-CD1 4.31Å; V16-F101 HydrophobicContact CG1-CD2 4.48Å; V16-F101 HydrophobicContact CG1-CE1 4.1Å; V16-F101 HydrophobicContact CG1-CE2 4.3Å; V16-F101 HydrophobicContact CG1-CG 4.5Å; V16-F101 HydrophobicContact CG1-CZ 4.1Å; Y20-F101 AromaticContact CD1-CE1 4Å; Y20-F101 HydrophobicContact CD1-CE1 4Å; Y20-F101 HydrophobicContact CD1-CZ 4.47Å; Y20-F101 HydrophobicContact CD2-CE1 4.33Å; Y20-F101 HydrophobicContact CE1-CE1 4.48Å; Y20-F101 AromaticContact CG-CE1 3.92Å; Y20-F101 HydrophobicContact CG-CE1 3.92Å; F97-F101 HydrophobicContact CD1-CE2 4.34Å; F97-F101 HydrophobicContact CE1-CD2 4.46Å; F97-F101 AromaticContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CE2 3.71Å; F97-F101 HydrophobicContact CE1-CZ 4.24Å; F97-F101 AromaticContact CE2-CE2 3.97Å; F97-F101 HydrophobicContact CE2-CE2 3.97Å; F97-F101 HydrophobicContact CZ-CD2 4.42Å; F97-F101 AromaticContact CZ-CE2 3.52Å; F97-F101 HydrophobicContact CZ-CE2 3.52Å; F97-F101 HydrophobicContact CZ-CZ 4.22Å; F97-F101 WeakPolarHBondContact O-CD2 3.31Å; F97-F101 PolarHBondContact O-N 3.01Å; F98-F101 WeakPolarHBondContact O-CB 3.2Å; F98-F101 PolarHBondContact O-N 3.13Å; A99-F101 VanDerWaalsContact C-N 3.29Å; A99-F101 PolarHBondContact O-N 3.32Å; F101-G105 PolarHBondContact O-N 3.25Å; F101-F124 HydrophobicContact CB-CZ 4.13Å; F101-F124 AromaticContact CD1-CE1 3.76Å; F101-F124 HydrophobicContact CD1-CE1 3.76Å; F101-F124 AromaticContact CD1-CZ 3.52Å; F101-F124 HydrophobicContact CD1-CZ 3.52Å; F101-F124 HydrophobicContact CD2-CZ 4.15Å; F101-F124 AromaticContact CE1-CE1 3.61Å; F101-F124 HydrophobicContact CE1-CE1 3.61Å; F101-F124 AromaticContact CE1-CZ 3.89Å; F101-F124 HydrophobicContact CE1-CZ 3.89Å; F101-F124 HydrophobicContact CE2-CE1 4.36Å; F101-F124 HydrophobicContact CE2-CZ 4.45Å; F101-F124 HydrophobicContact CG-CE1 4.22Å; F101-F124 AromaticContact CG-CZ 3.67Å; F101-F124 HydrophobicContact CG-CZ 3.67Å; F101-F124 AromaticContact CZ-CE1 3.93Å; F101-F124 HydrophobicContact CZ-CE1 3.93Å; F101-F124 HydrophobicContact CZ-CZ 4.34Å; F101-L128 HydrophobicContact CE2-CD2 3.92Å; F101-L128 HydrophobicContact CZ-CD2 4.35Å
102L92.8Very high90Very high83 Ų8339.8 Ų39.844%0.43520%0.204SC..Hα-helixtrans-62.8-54.7178.3-75168.5000112F98 A99 G104 G105 T106 L205F98-L102 HydrophobicContact CD1-CD1 3.85Å; F98-L102 HydrophobicContact CD1-CG 4.21Å; F98-L102 HydrophobicContact CE1-CD1 3.87Å; F98-L102 HydrophobicContact CE1-CD2 4.47Å; F98-L102 HydrophobicContact CE1-CG 4.07Å; F98-L102 PolarHBondContact O-N 2.97Å; A99-L102 PolarHBondContact O-N 3.35Å; L102-G104 PolarHBondContact O-N 3.21Å; L102-G105 PolarHBondContact O-N 3.04Å; L102-T106 WeakPolarHBondContact O-CB 3.43Å; L102-T106 PolarHBondContact O-N 2.76Å; L102-T106 PolarHBondContact O-OG1 3.34Å; L102-L205 HydrophobicContact CD1-CD1 3.68Å
103Y93.3Very high90.7Very high85 Ų8535.7 Ų35.733%0.33319%0.187SC..Hα-helixtrans-60.2-45.2-178.9-71.6-57.5000112.1A99 L107 L199 V200A99-Y103 HydrophobicContact CB-CD2 4.29Å; A99-Y103 HydrophobicContact CB-CE2 4.12Å; A99-Y103 WeakPolarHBondContact O-CD2 3.21Å; A99-Y103 PolarHBondContact O-N 2.87Å; Y103-L107 WeakPolarHBondContact O-CB 3.39Å; Y103-L107 PolarHBondContact O-N 3.28Å; Y103-L107 VanDerWaalsContact O-N 3.1Å; Y103-L199 HydrophobicContact CD1-CD2 3.95Å; Y103-L199 HydrophobicContact CD2-CB 4.43Å; Y103-L199 HydrophobicContact CD2-CD2 4.01Å; Y103-L199 HydrophobicContact CE1-CD2 3.98Å; Y103-L199 HydrophobicContact CE2-CB 4.07Å; Y103-L199 HydrophobicContact CE2-CD2 4.04Å; Y103-L199 HydrophobicContact CG-CD2 3.97Å; Y103-V200 PolarHBondContact OH-N 3.32Å; Y103-V200 PolarHBondContact OH-O 3.16Å; Y103-V200 VanDerWaalsContact OH-O 3.08Å
104G92.5Very high90.9Very high1 Ų140 Ų401%0.0121%0.208CC..Hα-helixtrans-63.8-46.5177.200000113M100 L102 L107 M108 M127M100-G104 PolarHBondContact O-N 2.8Å; L102-G104 PolarHBondContact O-N 3.21Å; G104-L107 PolarHBondContact O-N 3.36Å; G104-M108 VanDerWaalsContact O-CB 3.32Å; G104-M108 WeakPolarHBondContact O-CB 3.35Å; G104-M108 PolarHBondContact O-N 2.92Å; G104-M127 WeakPolarHBondContact CA-SD 3.14Å
105G92.8Very high90.5Very high7 Ų741.2 Ų41.27%0.07222%0.215CC..Hα-helixtrans-63.6-42.9177.800000113F101 L102 M108 I109F101-G105 PolarHBondContact O-N 3.25Å; L102-G105 PolarHBondContact O-N 3.04Å; G105-M108 WeakPolarHBondContact O-CB 3.32Å; G105-M108 PolarHBondContact O-N 3.23Å; G105-I109 WeakPolarHBondContact O-CG1 3.47Å; G105-I109 PolarHBondContact O-N 2.96Å
106T93Very high90.1Very high83 Ų8349.3 Ų49.351%0.50926%0.259SS..Hα-helixtrans-63.2-46.6176.9-57.80000111.8L102 M108 I109 V110L102-T106 WeakPolarHBondContact O-CB 3.43Å; L102-T106 PolarHBondContact O-N 2.76Å; L102-T106 PolarHBondContact O-OG1 3.34Å; T106-M108 VanDerWaalsContact C-N 3.26Å; T106-M108 PolarHBondContact O-N 2.77Å; T106-I109 PolarHBondContact O-N 3.16Å; T106-V110 WeakPolarHBondContact O-CG2 3.42Å; T106-V110 PolarHBondContact O-N 3.22Å; T106-V110 VanDerWaalsContact O-N 3.1Å
107L94.2Very high89.8Confident54 Ų5449 Ų4928%0.28326%0.257SS..Hα-helixtrans-60.6-38175.9-179.359.1000111.7Y103 G104 V110 L111 C178 F181Y103-L107 WeakPolarHBondContact O-CB 3.39Å; Y103-L107 PolarHBondContact O-N 3.28Å; Y103-L107 VanDerWaalsContact O-N 3.1Å; G104-L107 PolarHBondContact O-N 3.36Å; L107-V110 PolarHBondContact O-N 2.79Å; L107-L111 HydrophobicContact CG-CD1 4.43Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 3.28Å; L107-C178 HydrophobicContact CD2-CB 4.39Å; L107-F181 HydrophobicContact CD2-CB 3.57Å; L107-F181 HydrophobicContact CD2-CG 4.06Å
108M93.9Very high89.5Confident0 Ų053.9 Ų53.90%028%0.282CS..Hα-helixtrans-68.5-39.2177.9-162.8112.459.400112.9F61 G104 G105 T106 V110 L111 A112 L120 A123 F124 M127 V174 C178F61-M108 HydrophobicContact CE1-CB 4.4Å; F61-M108 HydrophobicContact CE1-CG 4.31Å; F61-M108 HydrophobicContact CZ-CB 4.43Å; G104-M108 VanDerWaalsContact O-CB 3.32Å; G104-M108 WeakPolarHBondContact O-CB 3.35Å; G104-M108 PolarHBondContact O-N 2.92Å; G105-M108 WeakPolarHBondContact O-CB 3.32Å; G105-M108 PolarHBondContact O-N 3.23Å; T106-M108 VanDerWaalsContact C-N 3.26Å; T106-M108 PolarHBondContact O-N 2.77Å; M108-V110 VanDerWaalsContact C-N 3.33Å; M108-L111 PolarHBondContact O-N 3.49Å; M108-A112 WeakPolarHBondContact O-CB 3.31Å; M108-A112 PolarHBondContact O-N 2.93Å; M108-L120 HydrophobicContact CG-CD2 3.93Å; M108-A123 HydrophobicContact CE-CB 4.37Å; M108-A123 HydrophobicContact SD-CB 3.56Å; M108-A123 VanDerWaalsContact SD-CB 3.56Å; M108-F124 VanDerWaalsContact CE-CA 3.43Å; M108-F124 HydrophobicContact CE-CB 3.87Å; M108-F124 HydrophobicContact CE-CD2 3.76Å; M108-F124 HydrophobicContact CE-CG 4.24Å; M108-M127 HydrophobicContact CE-CB 4.06Å; M108-M127 HydrophobicContact CE-SD 4Å; M108-V174 HydrophobicContact CG-CG1 4.24Å; M108-V174 HydrophobicContact SD-CG1 3.89Å; M108-C178 HydrophobicContact CE-CB 4.41Å; M108-C178 HydrophobicContact SD-CB 4.34Å; M108-C178 VanDerWaalsContact SD-SG 3.67Å
109I91.8Very high89.3Confident31 Ų3153.2 Ų53.216%0.15928%0.279CS..Hα-helixtrans-61.3-41.8172.2-71.9158.7000110.8Y43 L57 F61 G105 T106 A112 S113Y43-I109 HydrophobicContact CE2-CG2 3.97Å; L57-I109 HydrophobicContact CD2-CD1 4.01Å; L57-I109 HydrophobicContact CD2-CG2 4.2Å; F61-I109 HydrophobicContact CE2-CD1 4Å; F61-I109 HydrophobicContact CE2-CG1 4.01Å; F61-I109 HydrophobicContact CZ-CD1 4.33Å; F61-I109 HydrophobicContact CZ-CG1 4.01Å; G105-I109 WeakPolarHBondContact O-CG1 3.47Å; G105-I109 PolarHBondContact O-N 2.96Å; T106-I109 PolarHBondContact O-N 3.16Å; I109-A112 PolarHBondContact O-N 3.44Å; I109-S113 PolarHBondContact O-N 2.99Å; I109-S113 VanDerWaalsContact O-N 3.13Å; I109-S113 PolarHBondContact O-OG 2.88Å
110V90.9Very high89.3Confident74 Ų7453 Ų5345%0.44828%0.278SS..Hα-helixtrans-61.5-49.8176172.60000110.3T106 L107 M108 A112 S113 F114T106-V110 WeakPolarHBondContact O-CG2 3.42Å; T106-V110 PolarHBondContact O-N 3.22Å; T106-V110 VanDerWaalsContact O-N 3.1Å; L107-V110 PolarHBondContact O-N 2.79Å; M108-V110 VanDerWaalsContact C-N 3.33Å; V110-A112 PolarHBondContact O-N 3.36Å; V110-S113 VanDerWaalsContact O-CB 3.3Å; V110-S113 WeakPolarHBondContact O-CB 3.29Å; V110-S113 PolarHBondContact O-N 2.97Å; V110-S113 VanDerWaalsContact O-N 3.17Å; V110-F114 HydrophobicContact CG1-CE2 4.13Å; V110-F114 WeakPolarHBondContact O-CD2 3.39Å; V110-F114 WeakPolarHBondContact O-CE2 3.26Å
111L91.3Very high89.2Confident48 Ų4853 Ų5325%0.25128%0.278SS..Hα-helixtrans-65.3-38.5178.6-68.3174.4000113L107 M108 S113 F114 V115 V174 V177L107-L111 HydrophobicContact CG-CD1 4.43Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 3.28Å; M108-L111 PolarHBondContact O-N 3.49Å; L111-S113 PolarHBondContact O-N 3.42Å; L111-F114 PolarHBondContact O-N 2.92Å; L111-V115 PolarHBondContact O-N 2.78Å; L111-V174 HydrophobicContact CB-CG1 3.91Å; L111-V174 HydrophobicContact CD1-CG1 4.03Å; L111-V177 HydrophobicContact CD1-CG1 4.01Å
112A88Confident89Confident4 Ų454.2 Ų54.23%0.03328%0.283CS..Hα-helixtrans-66.3-15.5175.200000113.9Y43 M108 I109 V110 F114 V115 L120Y43-A112 HydrophobicContact CD1-CB 4.1Å; Y43-A112 HydrophobicContact CE1-CB 3.94Å; M108-A112 WeakPolarHBondContact O-CB 3.31Å; M108-A112 PolarHBondContact O-N 2.93Å; I109-A112 PolarHBondContact O-N 3.44Å; V110-A112 PolarHBondContact O-N 3.36Å; A112-F114 VanDerWaalsContact C-N 3.29Å; A112-V115 CarbonylContact C-O 3.55Å; A112-L120 HydrophobicContact CB-CD1 3.98Å; A112-L120 HydrophobicContact CB-CD2 3.61Å; A112-L120 HydrophobicContact CB-CG 4.38Å
113S85.7Confident89Confident55 Ų5550.2 Ų50.239%0.38526%0.263SS..THydrogen-bonded Turntrans-75.7-19.4171.5-560000112.7Y43 I109 V110 L111Y43-S113 PolarHBondContact OH-OG 3.04Å; I109-S113 PolarHBondContact O-N 2.99Å; I109-S113 VanDerWaalsContact O-N 3.13Å; I109-S113 PolarHBondContact O-OG 2.88Å; V110-S113 VanDerWaalsContact O-CB 3.3Å; V110-S113 WeakPolarHBondContact O-CB 3.29Å; V110-S113 PolarHBondContact O-N 2.97Å; V110-S113 VanDerWaalsContact O-N 3.17Å; L111-S113 PolarHBondContact O-N 3.42Å
114F86.1Confident89.1Confident172 Ų17246.5 Ų46.575%0.75425%0.248SC*.THydrogen-bonded Turntrans-104.9-23176.2-57.6-76.7000113V110 L111 A112V110-F114 HydrophobicContact CG1-CE2 4.13Å; V110-F114 WeakPolarHBondContact O-CD2 3.39Å; V110-F114 WeakPolarHBondContact O-CE2 3.26Å; L111-F114 PolarHBondContact O-N 2.92Å; A112-F114 VanDerWaalsContact C-N 3.29Å
115V79.5Confident89.1Confident43 Ų4346.7 Ų46.726%0.26125%0.249SC..THydrogen-bonded Turntrans-117.9110.4178.7-170.70000108.6L111 A112 M117 M170L111-V115 PolarHBondContact O-N 2.78Å; A112-V115 CarbonylContact C-O 3.55Å; V115-M117 HydrophobicContact CB-CE 4.26Å; V115-M117 HydrophobicContact CG1-CE 3.74Å; V115-M117 HydrophobicContact CG1-CG 4.43Å; V115-M117 PolarHBondContact O-N 2.81Å; V115-M170 HydrophobicContact CG1-CB 4.11Å; V115-M170 HydrophobicContact CG1-CG 4.19Å; V115-M170 HydrophobicContact CG1-SD 4.24Å
116N77.8Confident89.1Confident170 Ų17046.8 Ų46.891%0.90925%0.248SC*.THydrogen-bonded Turntrans-58.386.8-174.5-80.7-29.5000113.1
117M81.5Confident89.2Confident14 Ų1442.9 Ų42.97%0.06922%0.224CC..  trans-114.8128.2175.9-65.2-171.7-169.200110.3V115 L120 M170 V171 V174V115-M117 HydrophobicContact CB-CE 4.26Å; V115-M117 HydrophobicContact CG1-CE 3.74Å; V115-M117 HydrophobicContact CG1-CG 4.43Å; V115-M117 PolarHBondContact O-N 2.81Å; M117-L120 HydrophobicContact CB-CD2 4.18Å; M117-L120 HydrophobicContact SD-CD2 4.15Å; M117-M170 VanDerWaalsContact CE-C 3.42Å; M117-M170 HydrophobicContact CE-CB 3.87Å; M117-M170 WeakPolarHBondContact CE-O 3.41Å; M117-V171 HydrophobicContact CE-CG2 4.47Å; M117-V171 HydrophobicContact SD-CG2 4.32Å; M117-V174 HydrophobicContact CE-CB 3.85Å; M117-V174 HydrophobicContact CE-CG2 3.5Å; M117-V174 VanDerWaalsContact CE-CG2 3.5Å
118L85.1Confident89.3Confident103 Ų10340.3 Ų40.354%0.53921%0.21SC..SBendtrans-86.2-34.6-179.2-57.8174.8000112Y42 Y43Y42-L118 CarbonylContact C-O 3.6Å; Y42-L118 WeakPolarHBondContact CA-O 3.29Å; Y42-L118 WeakPolarHBondContact CB-O 3.5Å; Y42-L118 HydrophobicContact CD2-CB 4.33Å; Y42-L118 HydrophobicContact CD2-CD2 3.59Å; Y42-L118 HydrophobicContact CE2-CD2 3.92Å; Y43-L118 PolarHBondContact N-O 3.37Å
119F88.9Confident89.3Confident62 Ų6240.3 Ų40.327%0.27221%0.21SC..  trans-131.6136.6179.9-59.6-72.2000109.8L41 F63L41-F119 HydrophobicContact CB-CE1 4.14Å; F63-F119 HydrophobicContact CB-CD1 3.99Å; F63-F119 HydrophobicContact CB-CE1 4.18Å; F63-F119 AromaticContact CD1-CD1 3.66Å; F63-F119 HydrophobicContact CD1-CD1 3.66Å; F63-F119 HydrophobicContact CD1-CD2 4.29Å; F63-F119 AromaticContact CD1-CE1 3.45Å; F63-F119 HydrophobicContact CD1-CE1 3.45Å; F63-F119 VanDerWaalsContact CD1-CE1 3.45Å; F63-F119 HydrophobicContact CD1-CE2 4.12Å; F63-F119 HydrophobicContact CD1-CG 4.08Å; F63-F119 AromaticContact CD1-CZ 3.7Å; F63-F119 HydrophobicContact CD1-CZ 3.7Å; F63-F119 HydrophobicContact CE1-CE1 4.19Å; F63-F119 HydrophobicContact CE1-CE2 4.27Å; F63-F119 AromaticContact CE1-CZ 3.98Å; F63-F119 HydrophobicContact CE1-CZ 3.98Å; F63-F119 HydrophobicContact CG-CD1 4.28Å; F63-F119 HydrophobicContact CG-CE1 4.14Å
120L90.8Very high89.5Confident0 Ų039.3 Ų39.30%021%0.205CC..  trans-112.8-10.6-168.3-70.9165.2000113.2Y43 C60 F61 M108 A112 M117 Q122 A123 F124Y43-L120 HydrophobicContact CD1-CD1 4.44Å; Y43-L120 HydrophobicContact CD2-CD1 4.28Å; Y43-L120 HydrophobicContact CG-CD1 4.03Å; C60-L120 HydrophobicContact CB-CD1 4.43Å; C60-L120 PolarHBondContact O-N 3.24Å; F61-L120 HydrophobicContact CD1-CB 3.77Å; F61-L120 HydrophobicContact CE1-CB 3.61Å; F61-L120 HydrophobicContact CE1-CD1 4.48Å; F61-L120 HydrophobicContact CE2-CD1 4.48Å; F61-L120 HydrophobicContact CG-CB 4.37Å; F61-L120 HydrophobicContact CZ-CB 4.08Å; F61-L120 HydrophobicContact CZ-CD1 4.12Å; M108-L120 HydrophobicContact CG-CD2 3.93Å; A112-L120 HydrophobicContact CB-CD1 3.98Å; A112-L120 HydrophobicContact CB-CD2 3.61Å; A112-L120 HydrophobicContact CB-CG 4.38Å; M117-L120 HydrophobicContact CB-CD2 4.18Å; M117-L120 HydrophobicContact SD-CD2 4.15Å; L120-Q122 VanDerWaalsContact C-N 3.31Å; L120-Q122 PolarHBondContact O-N 2.9Å; L120-A123 PolarHBondContact O-N 2.8Å; L120-F124 WeakPolarHBondContact O-CB 3.37Å; L120-F124 PolarHBondContact O-N 2.97Å
121G90.5Very high89.6Confident0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-54.3-4317900000113.6C60 F61 F64 F124 T125C60-G121 PolarHBondContact O-N 3.31Å; F61-G121 WeakPolarHBondContact O-CA 3.46Å; F64-G121 WeakPolarHBondContact CE1-O 3.39Å; G121-F124 CarbonylContact O-C 3.43Å; G121-F124 WeakPolarHBondContact O-CB 3.39Å; G121-F124 PolarHBondContact O-N 3.41Å; G121-T125 PolarHBondContact O-N 2.84Å; G121-T125 PolarHBondContact O-OG1 2.88Å; G121-T125 VanDerWaalsContact O-OG1 3.04Å
122Q89.7Confident89.8Confident49 Ų4933.6 Ų33.623%0.22917%0.172CC..Hα-helixtrans-68.9-41.2-179-168.3166.636.300112.6N74 L120 F124 T125 I126 V171N74-Q122 PolarHBondContact ND2-NE2 3.12Å; N74-Q122 VanDerWaalsContact ND2-NE2 3.17Å; N74-Q122 PolarHBondContact OD1-NE2 2.76Å; L120-Q122 VanDerWaalsContact C-N 3.31Å; L120-Q122 PolarHBondContact O-N 2.9Å; Q122-F124 VanDerWaalsContact C-N 3.28Å; Q122-F124 PolarHBondContact O-N 2.79Å; Q122-T125 WeakPolarHBondContact O-CB 3.48Å; Q122-T125 PolarHBondContact O-N 2.89Å; Q122-I126 PolarHBondContact O-N 3.48Å; Q122-I126 VanDerWaalsContact O-N 3.08Å; Q122-V171 HydrophobicContact CB-CG1 3.99Å; Q122-V171 HydrophobicContact CG-CG1 4.21Å
123A92.1Very high90Very high0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-62.5-37.1171.800000111.4M108 L120 I126 M127 V171 G175M108-A123 HydrophobicContact CE-CB 4.37Å; M108-A123 HydrophobicContact SD-CB 3.56Å; M108-A123 VanDerWaalsContact SD-CB 3.56Å; L120-A123 PolarHBondContact O-N 2.8Å; A123-I126 PolarHBondContact O-N 3.26Å; A123-M127 PolarHBondContact O-N 2.67Å; A123-V171 HydrophobicContact CB-CG1 3.98Å; A123-V171 VanDerWaalsContact CB-O 3.27Å; A123-V171 WeakPolarHBondContact CB-O 3.21Å; A123-G175 WeakPolarHBondContact O-CA 3.49Å
124F94.3Very high90.3Very high7 Ų735.1 Ų35.13%0.03117%0.168CC..Hα-helixtrans-65.2-39.5173.9-162.3-90.4000112.9Y20 F61 F101 M108 L120 G121 Q122 I126 M127 L128Y20-F124 HydrophobicContact CE1-CD1 4.08Å; Y20-F124 HydrophobicContact CE1-CE1 4.22Å; Y20-F124 AromaticContact CZ-CD1 4Å; F61-F124 HydrophobicContact CD1-CB 3.86Å; F61-F124 AromaticContact CD1-CD2 3.79Å; F61-F124 HydrophobicContact CD1-CD2 3.79Å; F61-F124 AromaticContact CD1-CG 3.99Å; F61-F124 HydrophobicContact CD1-CG 3.99Å; F61-F124 HydrophobicContact CE1-CB 4.26Å; F61-F124 AromaticContact CE1-CD2 3.78Å; F61-F124 HydrophobicContact CE1-CD2 3.78Å; F61-F124 HydrophobicContact CE1-CG 4.36Å; F101-F124 HydrophobicContact CB-CZ 4.13Å; F101-F124 AromaticContact CD1-CE1 3.76Å; F101-F124 HydrophobicContact CD1-CE1 3.76Å; F101-F124 AromaticContact CD1-CZ 3.52Å; F101-F124 HydrophobicContact CD1-CZ 3.52Å; F101-F124 HydrophobicContact CD2-CZ 4.15Å; F101-F124 AromaticContact CE1-CE1 3.61Å; F101-F124 HydrophobicContact CE1-CE1 3.61Å; F101-F124 AromaticContact CE1-CZ 3.89Å; F101-F124 HydrophobicContact CE1-CZ 3.89Å; F101-F124 HydrophobicContact CE2-CE1 4.36Å; F101-F124 HydrophobicContact CE2-CZ 4.45Å; F101-F124 HydrophobicContact CG-CE1 4.22Å; F101-F124 AromaticContact CG-CZ 3.67Å; F101-F124 HydrophobicContact CG-CZ 3.67Å; F101-F124 AromaticContact CZ-CE1 3.93Å; F101-F124 HydrophobicContact CZ-CE1 3.93Å; F101-F124 HydrophobicContact CZ-CZ 4.34Å; M108-F124 VanDerWaalsContact CE-CA 3.43Å; M108-F124 HydrophobicContact CE-CB 3.87Å; M108-F124 HydrophobicContact CE-CD2 3.76Å; M108-F124 HydrophobicContact CE-CG 4.24Å; L120-F124 WeakPolarHBondContact O-CB 3.37Å; L120-F124 PolarHBondContact O-N 2.97Å; G121-F124 CarbonylContact O-C 3.43Å; G121-F124 WeakPolarHBondContact O-CB 3.39Å; G121-F124 PolarHBondContact O-N 3.41Å; Q122-F124 VanDerWaalsContact C-N 3.28Å; Q122-F124 PolarHBondContact O-N 2.79Å; F124-I126 VanDerWaalsContact C-N 3.33Å; F124-I126 PolarHBondContact O-N 2.88Å; F124-M127 HydrophobicContact CD2-CE 4.28Å; F124-M127 HydrophobicContact CD2-SD 4.48Å; F124-M127 HydrophobicContact CE2-CE 3.85Å; F124-M127 HydrophobicContact CE2-SD 4.46Å; F124-M127 HydrophobicContact CZ-CE 4.07Å; F124-M127 WeakPolarHBondContact O-CB 3.49Å; F124-M127 PolarHBondContact O-N 2.97Å; F124-L128 HydrophobicContact CD1-CD1 3.73Å; F124-L128 HydrophobicContact CD1-CG 4.28Å; F124-L128 HydrophobicContact CE1-CD1 3.75Å; F124-L128 HydrophobicContact CE1-CD2 4.4Å; F124-L128 HydrophobicContact CE1-CG 4.17Å; F124-L128 WeakPolarHBondContact O-CG 3.4Å; F124-L128 PolarHBondContact O-N 3.47Å; F124-L128 VanDerWaalsContact O-N 3.09Å
125T93Very high90.3Very high4 Ų427.9 Ų27.93%0.02514%0.136CC..Hα-helixtrans-58.6-44.5170.2-50.90000111.2F64 F77 T78 G121 Q122 L128 V129F64-T125 VanDerWaalsContact CE1-OG1 3.32Å; F64-T125 WeakPolarHBondContact CE1-OG1 3.38Å; F64-T125 WeakPolarHBondContact CZ-OG1 3.49Å; F77-T125 HydrophobicContact CB-CG2 3.72Å; T78-T125 WeakPolarHBondContact OG1-CG2 3.38Å; T78-T125 PolarHBondContact OG1-OG1 2.98Å; G121-T125 PolarHBondContact O-N 2.84Å; G121-T125 PolarHBondContact O-OG1 2.88Å; G121-T125 VanDerWaalsContact O-OG1 3.04Å; Q122-T125 WeakPolarHBondContact O-CB 3.48Å; Q122-T125 PolarHBondContact O-N 2.89Å; T125-L128 PolarHBondContact O-N 2.84Å; T125-V129 VanDerWaalsContact O-CG2 3.23Å; T125-V129 WeakPolarHBondContact O-CG2 3.48Å; T125-V129 PolarHBondContact O-N 2.8Å
126I94Very high90.6Very high10 Ų1027.3 Ų27.35%0.05113%0.132CC..Hα-helixtrans-67.9-34.2178.5-63.3-64.4000112.3Q122 A123 F124 V129 Y130 L158 D172 I176Q122-I126 PolarHBondContact O-N 3.48Å; Q122-I126 VanDerWaalsContact O-N 3.08Å; A123-I126 PolarHBondContact O-N 3.26Å; F124-I126 VanDerWaalsContact C-N 3.33Å; F124-I126 PolarHBondContact O-N 2.88Å; I126-V129 PolarHBondContact O-N 3.39Å; I126-Y130 WeakPolarHBondContact O-CB 3.5Å; I126-Y130 PolarHBondContact O-N 2.89Å; I126-L158 HydrophobicContact CD1-CB 4.09Å; I126-L158 HydrophobicContact CD1-CD1 3.78Å; I126-D172 HydrophobicContact CG1-CB 4.26Å; I126-D172 HydrophobicContact CG2-CB 4.43Å; I126-D172 WeakPolarHBondContact CG2-O 3.3Å; I126-I176 HydrophobicContact CG2-CG1 3.77Å
127M95.3Very high90.8Very high0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-59.3-47.1171.7-173.2-164.18800112G104 M108 A123 F124 Y130 I131 G175 C178G104-M127 WeakPolarHBondContact CA-SD 3.14Å; M108-M127 HydrophobicContact CE-CB 4.06Å; M108-M127 HydrophobicContact CE-SD 4Å; A123-M127 PolarHBondContact O-N 2.67Å; F124-M127 HydrophobicContact CD2-CE 4.28Å; F124-M127 HydrophobicContact CD2-SD 4.48Å; F124-M127 HydrophobicContact CE2-CE 3.85Å; F124-M127 HydrophobicContact CE2-SD 4.46Å; F124-M127 HydrophobicContact CZ-CE 4.07Å; F124-M127 WeakPolarHBondContact O-CB 3.49Å; F124-M127 PolarHBondContact O-N 2.97Å; M127-Y130 WeakPolarHBondContact O-CB 3.23Å; M127-Y130 PolarHBondContact O-N 2.64Å; M127-I131 HydrophobicContact CE-CD1 4.14Å; M127-I131 HydrophobicContact CG-CD1 4.16Å; M127-I131 WeakPolarHBondContact O-CG1 3.44Å; M127-I131 PolarHBondContact O-N 3.07Å; M127-G175 VanDerWaalsContact CA-O 3.32Å; M127-G175 WeakPolarHBondContact CA-O 3.47Å; M127-C178 HydrophobicContact CG-CB 3.89Å; M127-C178 HydrophobicContact SD-CB 3.95Å
128L95.1Very high90.7Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-63.3-44.4176.9-66.5161.4000111.6C82 L85 M100 F101 F124 T125 Y130 I131 W132C82-L128 WeakPolarHBondContact SG-CD1 3.46Å; L85-L128 HydrophobicContact CD1-CB 4.45Å; L85-L128 HydrophobicContact CD1-CD2 3.99Å; M100-L128 HydrophobicContact CE-CD2 3.48Å; M100-L128 VanDerWaalsContact CE-CD2 3.48Å; F101-L128 HydrophobicContact CE2-CD2 3.92Å; F101-L128 HydrophobicContact CZ-CD2 4.35Å; F124-L128 HydrophobicContact CD1-CD1 3.73Å; F124-L128 HydrophobicContact CD1-CG 4.28Å; F124-L128 HydrophobicContact CE1-CD1 3.75Å; F124-L128 HydrophobicContact CE1-CD2 4.4Å; F124-L128 HydrophobicContact CE1-CG 4.17Å; F124-L128 WeakPolarHBondContact O-CG 3.4Å; F124-L128 PolarHBondContact O-N 3.47Å; F124-L128 VanDerWaalsContact O-N 3.09Å; T125-L128 PolarHBondContact O-N 2.84Å; L128-Y130 VanDerWaalsContact C-N 3.28Å; L128-Y130 PolarHBondContact O-N 2.8Å; L128-I131 PolarHBondContact O-N 2.95Å; L128-W132 WeakPolarHBondContact O-CB 3.3Å; L128-W132 PolarHBondContact O-N 2.77Å
129V94.4Very high90.4Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-58-42.3173.2175.40000110.8F77 Y81 T125 I126 S133 L154 P155 L158F77-V129 HydrophobicContact CD1-CG2 4.22Å; Y81-V129 HydrophobicContact CD2-CG2 3.43Å; Y81-V129 VanDerWaalsContact CD2-CG2 3.43Å; Y81-V129 HydrophobicContact CE2-CG2 3.85Å; Y81-V129 HydrophobicContact CG-CG2 3.95Å; T125-V129 VanDerWaalsContact O-CG2 3.23Å; T125-V129 WeakPolarHBondContact O-CG2 3.48Å; T125-V129 PolarHBondContact O-N 2.8Å; I126-V129 PolarHBondContact O-N 3.39Å; V129-S133 WeakPolarHBondContact O-CB 3.44Å; V129-S133 PolarHBondContact O-N 3.06Å; V129-S133 PolarHBondContact O-OG 3.13Å; V129-L154 HydrophobicContact CG1-CD2 3.69Å; V129-L154 HydrophobicContact CG1-CG 3.87Å; V129-P155 HydrophobicContact CG1-CG 4.31Å; V129-L158 HydrophobicContact CG1-CD1 3.86Å; V129-L158 HydrophobicContact CG2-CD1 4.35Å
130Y95.4Very high90.2Very high10 Ų1031.8 Ų31.84%0.03915%0.147CC..Hα-helixtrans-63.7-53.9179.2-171.7-80.3000111.6I126 M127 L128 W132 S133 R134 P155 I176 G179 H180I126-Y130 WeakPolarHBondContact O-CB 3.5Å; I126-Y130 PolarHBondContact O-N 2.89Å; M127-Y130 WeakPolarHBondContact O-CB 3.23Å; M127-Y130 PolarHBondContact O-N 2.64Å; L128-Y130 VanDerWaalsContact C-N 3.28Å; L128-Y130 PolarHBondContact O-N 2.8Å; Y130-W132 VanDerWaalsContact C-N 3.31Å; Y130-W132 PolarHBondContact O-N 2.79Å; Y130-S133 WeakPolarHBondContact CA-OG 3.32Å; Y130-S133 PolarHBondContact O-N 3.48Å; Y130-S133 PolarHBondContact O-OG 2.79Å; Y130-R134 HydrophobicContact CD1-CG 3.8Å; Y130-R134 HydrophobicContact CE1-CG 3.3Å; Y130-R134 WeakPolarHBondContact O-CG 3.48Å; Y130-R134 PolarHBondContact O-N 3.47Å; Y130-P155 HydrophobicContact CD2-CB 4Å; Y130-P155 HydrophobicContact CD2-CG 3.76Å; Y130-P155 HydrophobicContact CG-CG 4.33Å; Y130-I176 HydrophobicContact CD2-CB 4.23Å; Y130-I176 HydrophobicContact CD2-CG1 4.15Å; Y130-I176 HydrophobicContact CD2-CG2 3.88Å; Y130-I176 HydrophobicContact CE2-CG2 3.82Å; Y130-G179 WeakPolarHBondContact CD1-O 3.07Å; Y130-H180 VanDerWaalsContact CE1-CA 3.43Å; Y130-H180 HydrophobicContact CE1-CB 3.83Å; Y130-H180 AromaticContact CZ-ND1 3.79Å; Y130-H180 PolarHBondContact OH-ND1 2.87Å
131I94.2Very high89.9Confident0 Ų032.9 Ų32.90%015%0.153CC..Hα-helixtrans-57.8-46.5179.9-65.3166.2000110.1L85 M100 M127 L128 S133 R134 R135 Y182L85-I131 HydrophobicContact CD1-CG2 4.5Å; L85-I131 HydrophobicContact CD2-CG2 4.16Å; M100-I131 HydrophobicContact CG-CD1 4.1Å; M100-I131 HydrophobicContact SD-CD1 3.83Å; M100-I131 HydrophobicContact SD-CG2 4.23Å; M127-I131 HydrophobicContact CE-CD1 4.14Å; M127-I131 HydrophobicContact CG-CD1 4.16Å; M127-I131 WeakPolarHBondContact O-CG1 3.44Å; M127-I131 PolarHBondContact O-N 3.07Å; L128-I131 PolarHBondContact O-N 2.95Å; I131-S133 PolarHBondContact O-N 3.27Å; I131-R134 PolarHBondContact O-N 3.44Å; I131-R135 WeakPolarHBondContact O-CB 3.26Å; I131-R135 WeakPolarHBondContact O-CG 3.3Å; I131-R135 PolarHBondContact O-N 3.48Å; I131-R135 VanDerWaalsContact O-N 3.08Å; I131-Y182 HydrophobicContact CD1-CD1 3.74Å; I131-Y182 HydrophobicContact CD1-CG 3.95Å; I131-Y182 HydrophobicContact CG1-CD1 4.21Å; I131-Y182 HydrophobicContact CG2-CD1 4.45Å
132W94.1Very high89.5Confident3 Ų337.4 Ų37.41%0.01118%0.177CC..Hα-helixtrans-58.8-44.8174.5-179.888.3000112.3Y81 M84 L85 L128 Y130 R134 R135 N136 V139 M141 A151 L154Y81-W132 HydrophobicContact CD1-CB 4.16Å; Y81-W132 AromaticContact CD1-CD2 3.63Å; Y81-W132 HydrophobicContact CD1-CD2 3.63Å; Y81-W132 AromaticContact CD1-CE3 3.81Å; Y81-W132 HydrophobicContact CD1-CE3 3.81Å; Y81-W132 AromaticContact CD1-CG 3.76Å; Y81-W132 HydrophobicContact CD1-CG 3.76Å; Y81-W132 AromaticContact CE1-CD2 3.73Å; Y81-W132 HydrophobicContact CE1-CD2 3.73Å; Y81-W132 AromaticContact CE1-CE3 3.51Å; Y81-W132 HydrophobicContact CE1-CE3 3.51Å; Y81-W132 HydrophobicContact CE1-CG 4.35Å; Y81-W132 HydrophobicContact CE1-CH2 4.27Å; Y81-W132 HydrophobicContact CE1-CZ2 4.44Å; Y81-W132 AromaticContact CE1-CZ3 3.81Å; Y81-W132 HydrophobicContact CE1-CZ3 3.81Å; M84-W132 HydrophobicContact CE-CZ2 3.71Å; M84-W132 HydrophobicContact SD-CZ2 4.2Å; L85-W132 HydrophobicContact CD1-CB 4.39Å; L85-W132 HydrophobicContact CD2-CB 4.09Å; L85-W132 HydrophobicContact CG-CB 4.16Å; L128-W132 WeakPolarHBondContact O-CB 3.3Å; L128-W132 PolarHBondContact O-N 2.77Å; Y130-W132 VanDerWaalsContact C-N 3.31Å; Y130-W132 PolarHBondContact O-N 2.79Å; W132-R134 PolarHBondContact O-N 3.18Å; W132-R135 PolarHBondContact O-N 2.96Å; W132-N136 HydrophobicContact CH2-CB 4.47Å; W132-N136 HydrophobicContact CZ2-CB 4.15Å; W132-N136 PolarHBondContact NE1-ND2 3.22Å; W132-N136 WeakPolarHBondContact O-CB 3.24Å; W132-N136 PolarHBondContact O-N 3.15Å; W132-N136 PolarHBondContact O-ND2 3.45Å; W132-V139 HydrophobicContact CH2-CG1 4.26Å; W132-M141 HydrophobicContact CH2-SD 3.75Å; W132-M141 HydrophobicContact CZ3-SD 4.06Å; W132-A151 HydrophobicContact CH2-CB 4.22Å; W132-A151 HydrophobicContact CZ3-CB 3.85Å; W132-L154 HydrophobicContact CE3-CD2 4.41Å; W132-L154 HydrophobicContact CZ3-CD2 4.06Å
133S93.2Very high89.1Confident0 Ų036.3 Ų36.30%017%0.172CC..Hα-helixtrans-64.6-37.3-177.274.10000113.7V129 Y130 I131 A151 P155V129-S133 WeakPolarHBondContact O-CB 3.44Å; V129-S133 PolarHBondContact O-N 3.06Å; V129-S133 PolarHBondContact O-OG 3.13Å; Y130-S133 WeakPolarHBondContact CA-OG 3.32Å; Y130-S133 PolarHBondContact O-N 3.48Å; Y130-S133 PolarHBondContact O-OG 2.79Å; I131-S133 PolarHBondContact O-N 3.27Å; S133-A151 VanDerWaalsContact CB-O 3.27Å; S133-A151 WeakPolarHBondContact CB-O 3.35Å; S133-P155 WeakPolarHBondContact OG-CG 3.35Å
134R92.1Very high88.3Confident90 Ų9042 Ų4234%0.3420%0.197SC..Hα-helixtrans-74.2-36177.7-65.2-62.5-63.3-173.2-1.1112.1Y130 I131 W132 N136 P137 Y183Y130-R134 HydrophobicContact CD1-CG 3.8Å; Y130-R134 HydrophobicContact CE1-CG 3.3Å; Y130-R134 WeakPolarHBondContact O-CG 3.48Å; Y130-R134 PolarHBondContact O-N 3.47Å; I131-R134 PolarHBondContact O-N 3.44Å; W132-R134 PolarHBondContact O-N 3.18Å; R134-N136 VanDerWaalsContact C-N 3.35Å; R134-P137 WeakPolarHBondContact O-CD 3.34Å; R134-Y183 HydrophobicContact CB-CD1 4.17Å; R134-Y183 HydrophobicContact CB-CD2 3.48Å; R134-Y183 VanDerWaalsContact CB-CD2 3.48Å; R134-Y183 HydrophobicContact CB-CE1 4.17Å; R134-Y183 HydrophobicContact CB-CE2 3.49Å; R134-Y183 VanDerWaalsContact CB-CE2 3.49Å; R134-Y183 HydrophobicContact CB-CG 3.85Å; R134-Y183 HydrophobicContact CG-CD1 4.25Å; R134-Y183 HydrophobicContact CG-CD2 4.29Å; R134-Y183 HydrophobicContact CG-CE1 4.48Å; R134-Y183 HydrophobicContact CG-CG 4.15Å
135R86.3Confident87.4Confident20 Ų2044.4 Ų44.48%0.07522%0.223CC..Hα-helixtrans-72.9-22.7174.7-76.2-178.1169.2-165.8-6.1113.4W89 F90 I131 W132 P137 Y183 D187W89-R135 HydrophobicContact CD2-CB 4.22Å; W89-R135 HydrophobicContact CD2-CG 4.4Å; W89-R135 HydrophobicContact CE3-CG 4.32Å; W89-R135 HydrophobicContact CH2-CB 3.93Å; W89-R135 HydrophobicContact CH2-CG 4.27Å; W89-R135 HydrophobicContact CZ2-CB 3.62Å; W89-R135 HydrophobicContact CZ2-CG 4.37Å; W89-R135 WeakPolarHBondContact CZ2-O 3.08Å; W89-R135 HydrophobicContact CZ3-CB 4.36Å; W89-R135 HydrophobicContact CZ3-CG 4.24Å; F90-R135 VanDerWaalsContact CZ-NH1 3.25Å; I131-R135 WeakPolarHBondContact O-CB 3.26Å; I131-R135 WeakPolarHBondContact O-CG 3.3Å; I131-R135 PolarHBondContact O-N 3.48Å; I131-R135 VanDerWaalsContact O-N 3.08Å; W132-R135 PolarHBondContact O-N 2.96Å; R135-P137 VanDerWaalsContact O-CD 3.22Å; R135-P137 WeakPolarHBondContact O-CD 3.42Å; R135-Y183 HydrophobicContact CG-CD2 4.45Å; R135-Y183 HydrophobicContact CG-CE2 4.39Å; R135-D187 IonicContact CZ-OD1 3.64Å; R135-D187 IonicContact CZ-OD2 3.14Å; R135-D187 IonicContact NE-OD1 3.72Å; R135-D187 PolarHBondContact NE-OD1 3.24Å; R135-D187 IonicContact NE-OD2 2.83Å; R135-D187 PolarHBondContact NE-OD2 2.75Å; R135-D187 IonicContact NH2-OD1 2.73Å; R135-D187 PolarHBondContact NH2-OD1 3.39Å; R135-D187 IonicContact NH2-OD2 2.66Å; R135-D187 PolarHBondContact NH2-OD2 2.87Å
136N85Confident86.7Confident32 Ų3251.3 Ų51.317%0.17126%0.259CS..SBendtrans-115.147.6-178.8-65.6-89.2000114.1W132 R134 L138 V139 A151W132-N136 HydrophobicContact CH2-CB 4.47Å; W132-N136 HydrophobicContact CZ2-CB 4.15Å; W132-N136 PolarHBondContact NE1-ND2 3.22Å; W132-N136 WeakPolarHBondContact O-CB 3.24Å; W132-N136 PolarHBondContact O-N 3.15Å; W132-N136 PolarHBondContact O-ND2 3.45Å; R134-N136 VanDerWaalsContact C-N 3.35Å; N136-L138 PolarHBondContact O-N 3.22Å; N136-V139 HydrophobicContact CB-CG2 3.98Å; N136-V139 PolarHBondContact O-N 2.76Å; N136-V139 VanDerWaalsContact O-N 3.12Å; N136-A151 WeakPolarHBondContact O-CB 3.4Å
137P82.8Confident86.2Confident61 Ų6155.8 Ų55.840%0.39628%0.283SS..THydrogen-bonded Turntrans-66.3-18.3-159.628.3-36.6000115.3R134 R135 P152R134-P137 WeakPolarHBondContact O-CD 3.34Å; R135-P137 VanDerWaalsContact O-CD 3.22Å; R135-P137 WeakPolarHBondContact O-CD 3.42Å; P137-P152 HydrophobicContact CB-CG 3.78Å; P137-P152 WeakPolarHBondContact O-CD 3.34Å
138L78.4Confident85.7Confident101 Ų10161 Ų6153%0.52932%0.315SS..THydrogen-bonded Turntrans-95.8-8.7-176.5-66.8164.6000113.7N136 R140N136-L138 PolarHBondContact O-N 3.22Å; L138-R140 PolarHBondContact O-N 3.38Å
139V79.8Confident85.5Confident62 Ų6262.5 Ų62.538%0.37632%0.321SS..PPolyproline II helixtrans-70124.9179.9175.40000109.3W132 N136 M141 Q150 A151W132-V139 HydrophobicContact CH2-CG1 4.26Å; N136-V139 HydrophobicContact CB-CG2 3.98Å; N136-V139 PolarHBondContact O-N 2.76Å; N136-V139 VanDerWaalsContact O-N 3.12Å; V139-M141 HydrophobicContact CG1-SD 4.34Å; V139-M141 PolarHBondContact O-N 2.96Å; V139-Q150 CarbonylContact O-C 3.6Å; V139-Q150 WeakPolarHBondContact O-CA 3.37Å; V139-A151 HydrophobicContact CB-CB 4.27Å; V139-A151 PolarHBondContact O-N 2.96Å
140R83.9Confident85.2Confident218 Ų21866.7 Ų66.782%0.82334%0.341SS*.EExtended strand (participates in β ladder)trans-78.7116.9170.1-70.3-175.3-179.9178.6-0.2109.1L138 F149L138-R140 PolarHBondContact O-N 3.38Å; R140-F149 CarbonylContact C-O 3.58Å
141M83.7Confident85Confident23 Ų2366.2 Ų66.211%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-89.2149.4169.6-68.1-60.6-72.100109.7Y81 W132 V139 T148 F149 A151 L154Y81-M141 WeakPolarHBondContact OH-CE 3.48Å; W132-M141 HydrophobicContact CH2-SD 3.75Å; W132-M141 HydrophobicContact CZ3-SD 4.06Å; V139-M141 HydrophobicContact CG1-SD 4.34Å; V139-M141 PolarHBondContact O-N 2.96Å; M141-T148 WeakPolarHBondContact O-CA 2.86Å; M141-F149 HydrophobicContact CB-CD2 4.02Å; M141-F149 HydrophobicContact CB-CE2 3.73Å; M141-F149 HydrophobicContact CB-CZ 4.31Å; M141-F149 HydrophobicContact CG-CE2 4.46Å; M141-F149 PolarHBondContact N-O 3.36Å; M141-F149 PolarHBondContact O-N 2.99Å; M141-A151 HydrophobicContact CG-CB 4.19Å; M141-L154 HydrophobicContact CE-CD1 4.24Å; M141-L154 HydrophobicContact CE-CD2 3.81Å; M141-L154 HydrophobicContact CG-CD2 4.49Å
142N83.6Confident84.9Confident95 Ų9567.4 Ų67.451%0.50835%0.347SS..EExtended strand (participates in β ladder)trans-129.8111.7173.9-164.9-3000108.7G145 L147 T148N142-G145 VanDerWaalsContact OD1-CA 3.24Å; N142-G145 WeakPolarHBondContact OD1-CA 3.22Å; N142-L147 WeakPolarHBondContact CA-O 3.13Å; N142-L147 PolarHBondContact OD1-O 2.97Å; N142-T148 HydrophobicContact CB-CG2 3.98Å
143F81.2Confident84.8Confident27 Ų2773.8 Ų73.812%0.11837%0.372CS..EExtended strand (participates in β ladder)trans-95.9112.5-172.1-163.3-108.3000109.8G145 L146 L147 F149 V157 L158 F161F143-G145 PolarHBondContact O-N 2.96Å; F143-L146 PolarHBondContact O-N 3.13Å; F143-L147 PolarHBondContact N-O 2.96Å; F143-L147 PolarHBondContact O-N 3.32Å; F143-F149 HydrophobicContact CB-CE1 3.61Å; F143-F149 HydrophobicContact CB-CZ 3.84Å; F143-F149 HydrophobicContact CG-CE1 4.43Å; F143-F149 HydrophobicContact CG-CZ 4.38Å; F143-V157 HydrophobicContact CD1-CG1 3.98Å; F143-V157 HydrophobicContact CD2-CG1 4.46Å; F143-V157 HydrophobicContact CE1-CG1 4.17Å; F143-V157 HydrophobicContact CG-CG1 4.13Å; F143-L158 HydrophobicContact CE2-CD2 3.76Å; F143-L158 HydrophobicContact CZ-CD2 4.03Å; F143-F161 HydrophobicContact CE1-CB 4.37Å; F143-F161 HydrophobicContact CE1-CD1 4.38Å; F143-F161 HydrophobicContact CE1-CD2 4.03Å; F143-F161 HydrophobicContact CE1-CE2 4.41Å; F143-F161 HydrophobicContact CE1-CG 4.02Å; F143-F161 HydrophobicContact CZ-CB 4.39Å; F143-F161 HydrophobicContact CZ-CD1 4.13Å; F143-F161 HydrophobicContact CZ-CG 4.13Å
144F74.2Confident84.8Confident120 Ų12073.9 Ų73.953%0.52637%0.372SS..THydrogen-bonded Turntrans50.718.1-171.3-63.8-75000115.6F73 L146 F161F73-F144 HydrophobicContact CE1-CZ 4.06Å; F73-F144 AromaticContact CZ-CE1 3.85Å; F73-F144 HydrophobicContact CZ-CE1 3.85Å; F73-F144 AromaticContact CZ-CZ 3.56Å; F73-F144 HydrophobicContact CZ-CZ 3.56Å; F144-L146 HydrophobicContact CB-CD1 4.42Å; F144-L146 PolarHBondContact O-N 3.42Å; F144-F161 HydrophobicContact CE2-CE1 4.08Å; F144-F161 HydrophobicContact CE2-CE2 4.38Å; F144-F161 AromaticContact CE2-CZ 3.84Å; F144-F161 HydrophobicContact CE2-CZ 3.84Å; F144-F161 HydrophobicContact CZ-CE1 4.49Å; F144-F161 HydrophobicContact CZ-CZ 4.37Å
145G75.6Confident84.8Confident57 Ų5769.6 Ų69.659%0.58836%0.356SS*.THydrogen-bonded Turntrans77.1-4-173.500000114.9N142 F143N142-G145 VanDerWaalsContact OD1-CA 3.24Å; N142-G145 WeakPolarHBondContact OD1-CA 3.22Å; F143-G145 PolarHBondContact O-N 2.96Å
146L79.2Confident85.1Confident149 Ų14974.2 Ų74.278%0.7837%0.374SS*.THydrogen-bonded Turntrans-91.7-35.5-174.1-66.1171.2000113F143 F144F143-L146 PolarHBondContact O-N 3.13Å; F144-L146 HydrophobicContact CB-CD1 4.42Å; F144-L146 PolarHBondContact O-N 3.42Å
147L82.3Confident85.4Confident104 Ų10474.3 Ų74.355%0.54538%0.375SS..EExtended strand (participates in β ladder)trans-131.3121.9-174.3-69.3173000110.7N142 F143 F149N142-L147 WeakPolarHBondContact CA-O 3.13Å; N142-L147 PolarHBondContact OD1-O 2.97Å; F143-L147 PolarHBondContact N-O 2.96Å; F143-L147 PolarHBondContact O-N 3.32Å; L147-F149 HydrophobicContact CB-CD1 4.16Å; L147-F149 HydrophobicContact CB-CE1 4.18Å
148T85.6Confident85.7Confident109 Ų10972.2 Ų72.267%0.66936%0.361SS*.EExtended strand (participates in β ladder)trans-103129.3171.751.10000110.9M141 N142M141-T148 WeakPolarHBondContact O-CA 2.86Å; N142-T148 HydrophobicContact CB-CG2 3.98Å
149F91.2Very high86.3Confident31 Ų3168.6 Ų68.614%0.13634%0.341CS..EExtended strand (participates in β ladder)trans-152.3165-178.849.5-96.8000110.8R140 M141 F143 L147 L154 V157R140-F149 CarbonylContact C-O 3.58Å; M141-F149 HydrophobicContact CB-CD2 4.02Å; M141-F149 HydrophobicContact CB-CE2 3.73Å; M141-F149 HydrophobicContact CB-CZ 4.31Å; M141-F149 HydrophobicContact CG-CE2 4.46Å; M141-F149 PolarHBondContact N-O 3.36Å; M141-F149 PolarHBondContact O-N 2.99Å; F143-F149 HydrophobicContact CB-CE1 3.61Å; F143-F149 HydrophobicContact CB-CZ 3.84Å; F143-F149 HydrophobicContact CG-CE1 4.43Å; F143-F149 HydrophobicContact CG-CZ 4.38Å; L147-F149 HydrophobicContact CB-CD1 4.16Å; L147-F149 HydrophobicContact CB-CE1 4.18Å; F149-L154 HydrophobicContact CE2-CB 3.98Å; F149-L154 HydrophobicContact CE2-CD1 3.98Å; F149-L154 HydrophobicContact CZ-CD1 4.08Å; F149-V157 HydrophobicContact CD1-CG2 4.19Å; F149-V157 HydrophobicContact CE1-CB 4.23Å; F149-V157 HydrophobicContact CE1-CG1 3.87Å; F149-V157 HydrophobicContact CE1-CG2 3.82Å; F149-V157 HydrophobicContact CE2-CB 4.44Å; F149-V157 HydrophobicContact CE2-CG2 4.18Å; F149-V157 HydrophobicContact CZ-CB 3.9Å; F149-V157 HydrophobicContact CZ-CG1 3.79Å; F149-V157 HydrophobicContact CZ-CG2 3.81Å
150Q88.4Confident86.8Confident88 Ų8868 Ų6841%0.41134%0.343SS..EExtended strand (participates in β ladder)trans-77146.8173.8-72.9176.6-26.200111.1V139 P152 Y153V139-Q150 CarbonylContact O-C 3.6Å; V139-Q150 WeakPolarHBondContact O-CA 3.37Å; Q150-P152 VanDerWaalsContact C-N 3.31Å; Q150-P152 WeakPolarHBondContact O-CD 3.27Å; Q150-Y153 HydrophobicContact CB-CD2 4.19Å; Q150-Y153 HydrophobicContact CB-CE2 4.35Å; Q150-Y153 WeakPolarHBondContact O-CD2 3.34Å; Q150-Y153 PolarHBondContact O-N 3.4Å
151A89.5Confident86.9Confident0 Ų061 Ų610%032%0.319CS..G310 helixtrans-45.9-40.2-174.900000115.8W132 S133 N136 V139 M141 Y153 L154W132-A151 HydrophobicContact CH2-CB 4.22Å; W132-A151 HydrophobicContact CZ3-CB 3.85Å; S133-A151 VanDerWaalsContact CB-O 3.27Å; S133-A151 WeakPolarHBondContact CB-O 3.35Å; N136-A151 WeakPolarHBondContact O-CB 3.4Å; V139-A151 HydrophobicContact CB-CB 4.27Å; V139-A151 PolarHBondContact O-N 2.96Å; M141-A151 HydrophobicContact CG-CB 4.19Å; A151-Y153 PolarHBondContact O-N 2.89Å; A151-L154 WeakPolarHBondContact O-CB 3.48Å; A151-L154 PolarHBondContact O-N 3.44Å
152P92Very high86.9Confident25 Ų2560.5 Ų60.516%0.16232%0.318CS..G310 helixtrans-59.4-17.4-179-26.137.1000115.4P137 Q150P137-P152 HydrophobicContact CB-CG 3.78Å; P137-P152 WeakPolarHBondContact O-CD 3.34Å; Q150-P152 VanDerWaalsContact C-N 3.31Å; Q150-P152 WeakPolarHBondContact O-CD 3.27Å
153Y93.1Very high87Confident138 Ų13860.7 Ų60.754%0.54132%0.318SS..G310 helixtrans-85.2-13.8174.6-60.5-75.1000113.2Q150 A151 W156 V157Q150-Y153 HydrophobicContact CB-CD2 4.19Å; Q150-Y153 HydrophobicContact CB-CE2 4.35Å; Q150-Y153 WeakPolarHBondContact O-CD2 3.34Å; Q150-Y153 PolarHBondContact O-N 3.4Å; A151-Y153 PolarHBondContact O-N 2.89Å; Y153-W156 PolarHBondContact O-N 3.08Å; Y153-W156 VanDerWaalsContact O-N 3.16Å; Y153-V157 WeakPolarHBondContact O-CG2 3.18Å; Y153-V157 PolarHBondContact O-N 2.98Å
154L92Very high87.2Confident1 Ų166.4 Ų66.41%0.00535%0.349CS..Hα-helixtrans-56.1-45.6-176.5-178.864.9000114.5Y81 V129 W132 M141 F149 A151 W156 V157 L158Y81-L154 HydrophobicContact CE1-CD2 4.33Å; V129-L154 HydrophobicContact CG1-CD2 3.69Å; V129-L154 HydrophobicContact CG1-CG 3.87Å; W132-L154 HydrophobicContact CE3-CD2 4.41Å; W132-L154 HydrophobicContact CZ3-CD2 4.06Å; M141-L154 HydrophobicContact CE-CD1 4.24Å; M141-L154 HydrophobicContact CE-CD2 3.81Å; M141-L154 HydrophobicContact CG-CD2 4.49Å; F149-L154 HydrophobicContact CE2-CB 3.98Å; F149-L154 HydrophobicContact CE2-CD1 3.98Å; F149-L154 HydrophobicContact CZ-CD1 4.08Å; A151-L154 WeakPolarHBondContact O-CB 3.48Å; A151-L154 PolarHBondContact O-N 3.44Å; L154-W156 VanDerWaalsContact C-N 3.26Å; L154-W156 PolarHBondContact O-N 3.13Å; L154-V157 PolarHBondContact O-N 3.35Å; L154-L158 HydrophobicContact CD1-CD1 4.42Å; L154-L158 HydrophobicContact CD1-CG 4.36Å; L154-L158 HydrophobicContact CG-CD1 4.26Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 3.48Å
155P92.6Very high87.5Confident0 Ų065.9 Ų65.90%035%0.351CS..Hα-helixtrans-62.9-36179.1-18.831.9000112V129 Y130 S133 L158 L159 I176V129-P155 HydrophobicContact CG1-CG 4.31Å; Y130-P155 HydrophobicContact CD2-CB 4Å; Y130-P155 HydrophobicContact CD2-CG 3.76Å; Y130-P155 HydrophobicContact CG-CG 4.33Å; S133-P155 WeakPolarHBondContact OG-CG 3.35Å; P155-L158 PolarHBondContact O-N 3.36Å; P155-L159 WeakPolarHBondContact O-CB 3.38Å; P155-L159 PolarHBondContact O-N 3.03Å; P155-I176 HydrophobicContact CB-CD1 3.92Å; P155-I176 HydrophobicContact CB-CG1 3.79Å
156W93Very high87.6Confident118 Ų11866.5 Ų66.545%0.44736%0.357SS..Hα-helixtrans-73.6-36.2179.1-55104.7000112.5Y153 L154 L159 A160 I176Y153-W156 PolarHBondContact O-N 3.08Å; Y153-W156 VanDerWaalsContact O-N 3.16Å; L154-W156 VanDerWaalsContact C-N 3.26Å; L154-W156 PolarHBondContact O-N 3.13Å; W156-L159 PolarHBondContact O-N 2.67Å; W156-A160 WeakPolarHBondContact O-CB 3.36Å; W156-A160 PolarHBondContact O-N 2.94Å; W156-I176 HydrophobicContact CD2-CD1 4.27Å; W156-I176 HydrophobicContact CE3-CD1 3.99Å; W156-I176 HydrophobicContact CH2-CD1 4.47Å; W156-I176 HydrophobicContact CH2-CG2 3.74Å; W156-I176 HydrophobicContact CZ2-CG2 3.82Å; W156-I176 HydrophobicContact CZ3-CD1 4.1Å; W156-I176 HydrophobicContact CZ3-CG2 4.36Å
157V90.8Very high87.6Confident34 Ų3462.6 Ų62.621%0.20634%0.337CS..Hα-helixtrans-66.4-38.7172.2171.80000111.1F143 F149 Y153 L154 A160 F161F143-V157 HydrophobicContact CD1-CG1 3.98Å; F143-V157 HydrophobicContact CD2-CG1 4.46Å; F143-V157 HydrophobicContact CE1-CG1 4.17Å; F143-V157 HydrophobicContact CG-CG1 4.13Å; F149-V157 HydrophobicContact CD1-CG2 4.19Å; F149-V157 HydrophobicContact CE1-CB 4.23Å; F149-V157 HydrophobicContact CE1-CG1 3.87Å; F149-V157 HydrophobicContact CE1-CG2 3.82Å; F149-V157 HydrophobicContact CE2-CB 4.44Å; F149-V157 HydrophobicContact CE2-CG2 4.18Å; F149-V157 HydrophobicContact CZ-CB 3.9Å; F149-V157 HydrophobicContact CZ-CG1 3.79Å; F149-V157 HydrophobicContact CZ-CG2 3.81Å; Y153-V157 WeakPolarHBondContact O-CG2 3.18Å; Y153-V157 PolarHBondContact O-N 2.98Å; L154-V157 PolarHBondContact O-N 3.35Å; V157-A160 PolarHBondContact O-N 3.38Å; V157-F161 WeakPolarHBondContact O-CB 3.48Å; V157-F161 PolarHBondContact O-N 3.18Å
158L89.1Confident87.6Confident17 Ų1761.1 Ų61.19%0.08934%0.336CS..Hα-helixtrans-64.2-48.1173-68.9170.9000111.6F77 I126 V129 F143 L154 P155 A160 F161 S162F77-L158 HydrophobicContact CD1-CD1 4.23Å; F77-L158 HydrophobicContact CE1-CD1 3.86Å; F77-L158 HydrophobicContact CE1-CD2 3.75Å; F77-L158 HydrophobicContact CE1-CG 4.42Å; F77-L158 HydrophobicContact CZ-CD2 4.17Å; I126-L158 HydrophobicContact CD1-CB 4.09Å; I126-L158 HydrophobicContact CD1-CD1 3.78Å; V129-L158 HydrophobicContact CG1-CD1 3.86Å; V129-L158 HydrophobicContact CG2-CD1 4.35Å; F143-L158 HydrophobicContact CE2-CD2 3.76Å; F143-L158 HydrophobicContact CZ-CD2 4.03Å; L154-L158 HydrophobicContact CD1-CD1 4.42Å; L154-L158 HydrophobicContact CD1-CG 4.36Å; L154-L158 HydrophobicContact CG-CD1 4.26Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 3.48Å; P155-L158 PolarHBondContact O-N 3.36Å; L158-A160 VanDerWaalsContact C-N 3.3Å; L158-A160 PolarHBondContact O-N 3.23Å; L158-F161 CarbonylContact O-C 3.53Å; L158-F161 WeakPolarHBondContact O-CA 3.33Å; L158-F161 WeakPolarHBondContact O-CB 3.28Å; L158-F161 PolarHBondContact O-N 2.9Å; L158-S162 PolarHBondContact O-N 2.82Å; L158-S162 PolarHBondContact O-OG 2.98Å
159L91.5Very high87.6Confident24 Ų2460.1 Ų60.113%0.12632%0.322CS..Hα-helixtrans-58-40.9176.8-178.2150.2000112.2P155 W156 L163 D172 F173 I176P155-L159 WeakPolarHBondContact O-CB 3.38Å; P155-L159 PolarHBondContact O-N 3.03Å; W156-L159 PolarHBondContact O-N 2.67Å; L159-L163 HydrophobicContact CD2-CD1 4.05Å; L159-L163 PolarHBondContact O-N 3.39Å; L159-D172 WeakPolarHBondContact CA-OD2 3.45Å; L159-D172 HydrophobicContact CB-CB 4.02Å; L159-D172 HydrophobicContact CD1-CB 4.03Å; L159-D172 HydrophobicContact CG-CB 4.11Å; L159-F173 HydrophobicContact CD1-CB 4.1Å; L159-F173 HydrophobicContact CD1-CD2 4.46Å; L159-I176 HydrophobicContact CB-CD1 4.34Å; L159-I176 HydrophobicContact CD1-CD1 3.82Å
160A90.1Very high87.5Confident50 Ų5062 Ų6241%0.41333%0.333SS..Hα-helixtrans-66.5-36.4174.300000112.7W156 V157 L158 L163 L164W156-A160 WeakPolarHBondContact O-CB 3.36Å; W156-A160 PolarHBondContact O-N 2.94Å; V157-A160 PolarHBondContact O-N 3.38Å; L158-A160 VanDerWaalsContact C-N 3.3Å; L158-A160 PolarHBondContact O-N 3.23Å; A160-L163 PolarHBondContact O-N 3.49Å; A160-L164 WeakPolarHBondContact O-CG 3.35Å; A160-L164 PolarHBondContact O-N 2.82Å
161F86.1Confident87.5Confident70 Ų7059 Ų5931%0.30732%0.32SS..Hα-helixtrans-72.6-38.4177.1-167.2-110.3000112.4F143 F144 V157 L158 L163 L164 L165F143-F161 HydrophobicContact CE1-CB 4.37Å; F143-F161 HydrophobicContact CE1-CD1 4.38Å; F143-F161 HydrophobicContact CE1-CD2 4.03Å; F143-F161 HydrophobicContact CE1-CE2 4.41Å; F143-F161 HydrophobicContact CE1-CG 4.02Å; F143-F161 HydrophobicContact CZ-CB 4.39Å; F143-F161 HydrophobicContact CZ-CD1 4.13Å; F143-F161 HydrophobicContact CZ-CG 4.13Å; F144-F161 HydrophobicContact CE2-CE1 4.08Å; F144-F161 HydrophobicContact CE2-CE2 4.38Å; F144-F161 AromaticContact CE2-CZ 3.84Å; F144-F161 HydrophobicContact CE2-CZ 3.84Å; F144-F161 HydrophobicContact CZ-CE1 4.49Å; F144-F161 HydrophobicContact CZ-CZ 4.37Å; V157-F161 WeakPolarHBondContact O-CB 3.48Å; V157-F161 PolarHBondContact O-N 3.18Å; L158-F161 CarbonylContact O-C 3.53Å; L158-F161 WeakPolarHBondContact O-CA 3.33Å; L158-F161 WeakPolarHBondContact O-CB 3.28Å; L158-F161 PolarHBondContact O-N 2.9Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-L163 PolarHBondContact O-N 2.77Å; F161-L164 PolarHBondContact O-N 2.93Å; F161-L165 HydrophobicContact CD1-CD1 3.86Å; F161-L165 HydrophobicContact CD1-CG 4.45Å; F161-L165 HydrophobicContact CE1-CD1 3.6Å; F161-L165 HydrophobicContact CE1-CG 4.28Å; F161-L165 HydrophobicContact CZ-CD1 4.27Å; F161-L165 WeakPolarHBondContact O-CG 3.46Å; F161-L165 PolarHBondContact O-N 2.74Å
162S83.7Confident87.6Confident13 Ų1359.1 Ų59.19%0.09132%0.32CS..Hα-helixtrans-58.5-44.3169.7-73.10000111.6L158 L164 L165 G166 N167 D172L158-S162 PolarHBondContact O-N 2.82Å; L158-S162 PolarHBondContact O-OG 2.98Å; S162-L164 PolarHBondContact O-N 3.49Å; S162-L165 CarbonylContact O-C 3.56Å; S162-L165 PolarHBondContact O-N 3.28Å; S162-G166 PolarHBondContact O-N 3.01Å; S162-G166 VanDerWaalsContact O-N 3.14Å; S162-N167 WeakPolarHBondContact O-CB 3.43Å; S162-N167 PolarHBondContact O-N 3.02Å; S162-D172 WeakPolarHBondContact CB-OD2 3.46Å; S162-D172 PolarHBondContact OG-OD2 2.83Å
163L86.2Confident87.6Confident99 Ų9962.1 Ų62.152%0.51833%0.331SS..Hα-helixtrans-59.9-42173.4-101159.7000112.5L159 A160 F161 L165 G166 F169L159-L163 HydrophobicContact CD2-CD1 4.05Å; L159-L163 PolarHBondContact O-N 3.39Å; A160-L163 PolarHBondContact O-N 3.49Å; F161-L163 VanDerWaalsContact C-N 3.34Å; F161-L163 PolarHBondContact O-N 2.77Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.13Å; L163-G166 PolarHBondContact O-N 2.85Å; L163-F169 HydrophobicContact CD1-CB 3.98Å; L163-F169 HydrophobicContact CD2-CB 4.39Å; L163-F169 HydrophobicContact CG-CB 3.96Å
164L85.3Confident87.6Confident147 Ų14755.9 Ų55.977%0.7731%0.308SS*.Hα-helixtrans-66.4-29.6175-77.2165.7000113.4A160 F161 S162 G166A160-L164 WeakPolarHBondContact O-CG 3.35Å; A160-L164 PolarHBondContact O-N 2.82Å; F161-L164 PolarHBondContact O-N 2.93Å; S162-L164 PolarHBondContact O-N 3.49Å; L164-G166 VanDerWaalsContact C-N 3.33Å
165L80.1Confident87.7Confident110 Ų11055.9 Ų55.958%0.57631%0.307SS*.THydrogen-bonded Turntrans-84.5-2175-69177.3000113.8F161 S162 L163 N167F161-L165 HydrophobicContact CD1-CD1 3.86Å; F161-L165 HydrophobicContact CD1-CG 4.45Å; F161-L165 HydrophobicContact CE1-CD1 3.6Å; F161-L165 HydrophobicContact CE1-CG 4.28Å; F161-L165 HydrophobicContact CZ-CD1 4.27Å; F161-L165 WeakPolarHBondContact O-CG 3.46Å; F161-L165 PolarHBondContact O-N 2.74Å; S162-L165 CarbonylContact O-C 3.56Å; S162-L165 PolarHBondContact O-N 3.28Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.13Å; L165-N167 VanDerWaalsContact C-N 3.34Å
166G76.7Confident87.8Confident69 Ų6956.1 Ų56.171%0.71131%0.309SS*.THydrogen-bonded Turntrans78.112.7-177.800000115S162 L163 L164S162-G166 PolarHBondContact O-N 3.01Å; S162-G166 VanDerWaalsContact O-N 3.14Å; L163-G166 PolarHBondContact O-N 2.85Å; L164-G166 VanDerWaalsContact C-N 3.33Å
167N79.7Confident88Confident67 Ų6752.5 Ų52.536%0.35830%0.3SS..  trans-72.8155.3172.8-71.7-25.5000111.2S162 L165 F169S162-N167 WeakPolarHBondContact O-CB 3.43Å; S162-N167 PolarHBondContact O-N 3.02Å; L165-N167 VanDerWaalsContact C-N 3.34Å; N167-F169 PolarHBondContact O-N 3.08Å
168S81.8Confident88.2Confident74 Ų7450.9 Ų50.952%0.51729%0.29SS..  trans-69.5112.5178.4-178.20000111.8M170 V171S168-M170 PolarHBondContact O-N 3.29Å; S168-V171 PolarHBondContact O-N 2.88Å; S168-V171 VanDerWaalsContact O-N 3.16Å
169F87.1Confident88.5Confident87 Ų8750.1 Ų50.138%0.38229%0.286SS..Hα-helixtrans-55.7-27.2-179.392.4-89000113.6L163 N167 V171 D172 F173L163-F169 HydrophobicContact CD1-CB 3.98Å; L163-F169 HydrophobicContact CD2-CB 4.39Å; L163-F169 HydrophobicContact CG-CB 3.96Å; N167-F169 PolarHBondContact O-N 3.08Å; F169-V171 VanDerWaalsContact C-N 3.26Å; F169-V171 PolarHBondContact O-N 2.77Å; F169-D172 PolarHBondContact O-N 2.9Å; F169-F173 HydrophobicContact CD2-CB 4.19Å; F169-F173 HydrophobicContact CE2-CB 4.34Å; F169-F173 HydrophobicContact CE2-CG 4.47Å; F169-F173 WeakPolarHBondContact O-CB 3.33Å; F169-F173 PolarHBondContact O-N 2.81Å
170M89.1Confident88.7Confident72 Ų7253 Ų5336%0.35530%0.298SS..Hα-helixtrans-60.2-35.8-178.6-76.8-68.4-167.600112.3V115 M117 S168 F173 V174V115-M170 HydrophobicContact CG1-CB 4.11Å; V115-M170 HydrophobicContact CG1-CG 4.19Å; V115-M170 HydrophobicContact CG1-SD 4.24Å; M117-M170 VanDerWaalsContact CE-C 3.42Å; M117-M170 HydrophobicContact CE-CB 3.87Å; M117-M170 WeakPolarHBondContact CE-O 3.41Å; S168-M170 PolarHBondContact O-N 3.29Å; M170-F173 PolarHBondContact O-N 2.83Å; M170-V174 WeakPolarHBondContact O-CG2 3.26Å; M170-V174 PolarHBondContact O-N 3.12Å
171V88.3Confident88.9Confident23 Ų2356 Ų5614%0.13930%0.302CS..Hα-helixtrans-61.2-51.8-178.2179.30000110.1M117 Q122 A123 S168 F169 G175M117-V171 HydrophobicContact CE-CG2 4.47Å; M117-V171 HydrophobicContact SD-CG2 4.32Å; Q122-V171 HydrophobicContact CB-CG1 3.99Å; Q122-V171 HydrophobicContact CG-CG1 4.21Å; A123-V171 HydrophobicContact CB-CG1 3.98Å; A123-V171 VanDerWaalsContact CB-O 3.27Å; A123-V171 WeakPolarHBondContact CB-O 3.21Å; S168-V171 PolarHBondContact O-N 2.88Å; S168-V171 VanDerWaalsContact O-N 3.16Å; F169-V171 VanDerWaalsContact C-N 3.26Å; F169-V171 PolarHBondContact O-N 2.77Å; V171-G175 PolarHBondContact O-N 2.67Å
172D90.3Very high89.3Confident3 Ų353.3 Ų53.32%0.01629%0.29CS..Hα-helixtrans-68.4-37.1178.6-64.1-2.4000111.2I126 L159 S162 F169 G175 I176I126-D172 HydrophobicContact CG1-CB 4.26Å; I126-D172 HydrophobicContact CG2-CB 4.43Å; I126-D172 WeakPolarHBondContact CG2-O 3.3Å; L159-D172 WeakPolarHBondContact CA-OD2 3.45Å; L159-D172 HydrophobicContact CB-CB 4.02Å; L159-D172 HydrophobicContact CD1-CB 4.03Å; L159-D172 HydrophobicContact CG-CB 4.11Å; S162-D172 WeakPolarHBondContact CB-OD2 3.46Å; S162-D172 PolarHBondContact OG-OD2 2.83Å; F169-D172 PolarHBondContact O-N 2.9Å; D172-G175 PolarHBondContact O-N 3.27Å; D172-I176 WeakPolarHBondContact O-CG1 3.33Å; D172-I176 PolarHBondContact O-N 2.63Å
173F93.3Very high89.8Confident88 Ų8854.6 Ų54.639%0.38629%0.294SS..Hα-helixtrans-63.9-43.8178.6-173.2-102.4000112.8L159 F169 M170 G175 I176 V177L159-F173 HydrophobicContact CD1-CB 4.1Å; L159-F173 HydrophobicContact CD1-CD2 4.46Å; F169-F173 HydrophobicContact CD2-CB 4.19Å; F169-F173 HydrophobicContact CE2-CB 4.34Å; F169-F173 HydrophobicContact CE2-CG 4.47Å; F169-F173 WeakPolarHBondContact O-CB 3.33Å; F169-F173 PolarHBondContact O-N 2.81Å; M170-F173 PolarHBondContact O-N 2.83Å; F173-G175 VanDerWaalsContact C-N 3.34Å; F173-I176 WeakPolarHBondContact O-CB 3.44Å; F173-I176 PolarHBondContact O-N 2.84Å; F173-V177 HydrophobicContact CD1-CG2 4.24Å; F173-V177 HydrophobicContact CE1-CG2 3.86Å; F173-V177 HydrophobicContact CZ-CG2 4.06Å; F173-V177 WeakPolarHBondContact O-CG2 3.06Å; F173-V177 PolarHBondContact O-N 2.97Å
174V92.8Very high90Very high8 Ų853.6 Ų53.65%0.04829%0.285CS..Hα-helixtrans-65.9-38175.8170.50000111.2M108 L111 M117 M170 V177 C178M108-V174 HydrophobicContact CG-CG1 4.24Å; M108-V174 HydrophobicContact SD-CG1 3.89Å; L111-V174 HydrophobicContact CB-CG1 3.91Å; L111-V174 HydrophobicContact CD1-CG1 4.03Å; M117-V174 HydrophobicContact CE-CB 3.85Å; M117-V174 HydrophobicContact CE-CG2 3.5Å; M117-V174 VanDerWaalsContact CE-CG2 3.5Å; M170-V174 WeakPolarHBondContact O-CG2 3.26Å; M170-V174 PolarHBondContact O-N 3.12Å; V174-V177 PolarHBondContact O-N 3.21Å; V174-C178 PolarHBondContact O-N 2.89Å; V174-C178 PolarHBondContact O-SG 3.04Å
175G93.9Very high90.3Very high0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-58.9-45.3171.700000112.9A123 M127 V171 D172 F173 C178 G179A123-G175 WeakPolarHBondContact O-CA 3.49Å; M127-G175 VanDerWaalsContact CA-O 3.32Å; M127-G175 WeakPolarHBondContact CA-O 3.47Å; V171-G175 PolarHBondContact O-N 2.67Å; D172-G175 PolarHBondContact O-N 3.27Å; F173-G175 VanDerWaalsContact C-N 3.34Å; G175-C178 PolarHBondContact O-N 3.46Å; G175-G179 PolarHBondContact O-N 2.96Å
176I95.7Very high90.6Very high5 Ų544.9 Ų44.93%0.02624%0.239CC..Hα-helixtrans-60.3-45.2174.7-73.3170.8000111.4I126 Y130 P155 W156 L159 D172 F173 G179 H180I126-I176 HydrophobicContact CG2-CG1 3.77Å; Y130-I176 HydrophobicContact CD2-CB 4.23Å; Y130-I176 HydrophobicContact CD2-CG1 4.15Å; Y130-I176 HydrophobicContact CD2-CG2 3.88Å; Y130-I176 HydrophobicContact CE2-CG2 3.82Å; P155-I176 HydrophobicContact CB-CD1 3.92Å; P155-I176 HydrophobicContact CB-CG1 3.79Å; W156-I176 HydrophobicContact CD2-CD1 4.27Å; W156-I176 HydrophobicContact CE3-CD1 3.99Å; W156-I176 HydrophobicContact CH2-CD1 4.47Å; W156-I176 HydrophobicContact CH2-CG2 3.74Å; W156-I176 HydrophobicContact CZ2-CG2 3.82Å; W156-I176 HydrophobicContact CZ3-CD1 4.1Å; W156-I176 HydrophobicContact CZ3-CG2 4.36Å; L159-I176 HydrophobicContact CB-CD1 4.34Å; L159-I176 HydrophobicContact CD1-CD1 3.82Å; D172-I176 WeakPolarHBondContact O-CG1 3.33Å; D172-I176 PolarHBondContact O-N 2.63Å; F173-I176 WeakPolarHBondContact O-CB 3.44Å; F173-I176 PolarHBondContact O-N 2.84Å; I176-G179 PolarHBondContact O-N 3.48Å; I176-H180 WeakPolarHBondContact O-CB 3.22Å; I176-H180 PolarHBondContact O-N 3.22Å
177V95.5Very high90.9Very high43 Ų4343.1 Ų43.126%0.26121%0.213SC..Hα-helixtrans-64.2-44.9179.4170.10000111.5L111 F173 V174 G179 H180 F181L111-V177 HydrophobicContact CD1-CG1 4.01Å; F173-V177 HydrophobicContact CD1-CG2 4.24Å; F173-V177 HydrophobicContact CE1-CG2 3.86Å; F173-V177 HydrophobicContact CZ-CG2 4.06Å; F173-V177 WeakPolarHBondContact O-CG2 3.06Å; F173-V177 PolarHBondContact O-N 2.97Å; V174-V177 PolarHBondContact O-N 3.21Å; V177-G179 VanDerWaalsContact C-N 3.35Å; V177-G179 PolarHBondContact O-N 3.08Å; V177-H180 PolarHBondContact O-N 3.15Å; V177-F181 HydrophobicContact CG1-CD2 4.48Å; V177-F181 PolarHBondContact O-N 3.13Å
178C95.6Very high91Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-61.4-44.2176.3-64.40000111.5L107 M108 M127 V174 G175 H180 F181 Y182L107-C178 HydrophobicContact CD2-CB 4.39Å; M108-C178 HydrophobicContact CE-CB 4.41Å; M108-C178 HydrophobicContact SD-CB 4.34Å; M108-C178 VanDerWaalsContact SD-SG 3.67Å; M127-C178 HydrophobicContact CG-CB 3.89Å; M127-C178 HydrophobicContact SD-CB 3.95Å; V174-C178 PolarHBondContact O-N 2.89Å; V174-C178 PolarHBondContact O-SG 3.04Å; G175-C178 PolarHBondContact O-N 3.46Å; C178-H180 VanDerWaalsContact C-N 3.31Å; C178-H180 PolarHBondContact O-N 2.85Å; C178-F181 PolarHBondContact O-N 3.41Å; C178-Y182 PolarHBondContact O-N 2.68Å; C178-Y182 VanDerWaalsContact O-N 3.07Å
179G95.3Very high91Very high0 Ų040.9 Ų40.90%019%0.194CC..Hα-helixtrans-65.6-34.1178.700000112.6Y130 G175 I176 V177 Y183Y130-G179 WeakPolarHBondContact CD1-O 3.07Å; G175-G179 PolarHBondContact O-N 2.96Å; I176-G179 PolarHBondContact O-N 3.48Å; V177-G179 VanDerWaalsContact C-N 3.35Å; V177-G179 PolarHBondContact O-N 3.08Å; G179-Y183 WeakPolarHBondContact O-CB 3.27Å; G179-Y183 PolarHBondContact O-N 3.11Å
180H96.2Very high90.6Very high84 Ų8438.2 Ų38.239%0.38919%0.186SC..Hα-helixtrans-69-44.3174.9-171.370.8000112.4Y130 I176 V177 C178 Y183 F184Y130-H180 VanDerWaalsContact CE1-CA 3.43Å; Y130-H180 HydrophobicContact CE1-CB 3.83Å; Y130-H180 AromaticContact CZ-ND1 3.79Å; Y130-H180 PolarHBondContact OH-ND1 2.87Å; I176-H180 WeakPolarHBondContact O-CB 3.22Å; I176-H180 PolarHBondContact O-N 3.22Å; V177-H180 PolarHBondContact O-N 3.15Å; C178-H180 VanDerWaalsContact C-N 3.31Å; C178-H180 PolarHBondContact O-N 2.85Å; H180-Y183 PolarHBondContact O-N 3.35Å; H180-F184 WeakPolarHBondContact O-CB 3.23Å; H180-F184 PolarHBondContact O-N 2.85Å
181F95.2Very high89.8Confident113 Ų11341.3 Ų41.350%0.49620%0.197SC..Hα-helixtrans-61.1-46.3177.1-110.7-84000112L107 V177 C178 F184 L185L107-F181 HydrophobicContact CD2-CB 3.57Å; L107-F181 HydrophobicContact CD2-CG 4.06Å; V177-F181 HydrophobicContact CG1-CD2 4.48Å; V177-F181 PolarHBondContact O-N 3.13Å; C178-F181 PolarHBondContact O-N 3.41Å; F181-F184 PolarHBondContact O-N 2.87Å; F181-L185 HydrophobicContact CD1-CD1 4.13Å; F181-L185 WeakPolarHBondContact O-CB 3.36Å; F181-L185 WeakPolarHBondContact O-CG 3.34Å; F181-L185 PolarHBondContact O-N 3.35Å
182Y94.5Very high89.1Confident14 Ų1445 Ų456%0.05521%0.213CC..Hα-helixtrans-60.8-51175.7-174.5-83.5000111.6M100 I131 C178 F184 L185 E186 L199M100-Y182 HydrophobicContact CB-CE1 4.43Å; M100-Y182 HydrophobicContact CB-CE2 3.79Å; M100-Y182 HydrophobicContact CG-CD1 4.13Å; M100-Y182 HydrophobicContact CG-CD2 4.02Å; M100-Y182 HydrophobicContact CG-CE1 3.81Å; M100-Y182 HydrophobicContact CG-CE2 3.66Å; M100-Y182 HydrophobicContact CG-CG 4.26Å; M100-Y182 HydrophobicContact SD-CE1 4.38Å; I131-Y182 HydrophobicContact CD1-CD1 3.74Å; I131-Y182 HydrophobicContact CD1-CG 3.95Å; I131-Y182 HydrophobicContact CG1-CD1 4.21Å; I131-Y182 HydrophobicContact CG2-CD1 4.45Å; C178-Y182 PolarHBondContact O-N 2.68Å; C178-Y182 VanDerWaalsContact O-N 3.07Å; Y182-F184 VanDerWaalsContact C-N 3.3Å; Y182-F184 PolarHBondContact O-N 3.13Å; Y182-L185 PolarHBondContact O-N 2.93Å; Y182-E186 HydrophobicContact CD1-CB 4.46Å; Y182-E186 HydrophobicContact CE1-CB 3.92Å; Y182-E186 HydrophobicContact CE1-CG 4.13Å; Y182-E186 PolarHBondContact O-N 2.84Å; Y182-L199 HydrophobicContact CD2-CD1 3.74Å; Y182-L199 HydrophobicContact CE2-CD1 3.66Å; Y182-L199 HydrophobicContact CG-CD1 4.46Å
183Y92.6Very high87.4Confident41 Ų4151.7 Ų51.716%0.16126%0.256CS..Hα-helixtrans-58.6-39.9179.5175.4-96.8000112.3R134 R135 G179 H180 D187 V188R134-Y183 HydrophobicContact CB-CD1 4.17Å; R134-Y183 HydrophobicContact CB-CD2 3.48Å; R134-Y183 VanDerWaalsContact CB-CD2 3.48Å; R134-Y183 HydrophobicContact CB-CE1 4.17Å; R134-Y183 HydrophobicContact CB-CE2 3.49Å; R134-Y183 VanDerWaalsContact CB-CE2 3.49Å; R134-Y183 HydrophobicContact CB-CG 3.85Å; R134-Y183 HydrophobicContact CG-CD1 4.25Å; R134-Y183 HydrophobicContact CG-CD2 4.29Å; R134-Y183 HydrophobicContact CG-CE1 4.48Å; R134-Y183 HydrophobicContact CG-CG 4.15Å; R135-Y183 HydrophobicContact CG-CD2 4.45Å; R135-Y183 HydrophobicContact CG-CE2 4.39Å; G179-Y183 WeakPolarHBondContact O-CB 3.27Å; G179-Y183 PolarHBondContact O-N 3.11Å; H180-Y183 PolarHBondContact O-N 3.35Å; Y183-D187 HydrophobicContact CD2-CB 3.84Å; Y183-D187 WeakPolarHBondContact CD2-OD2 3.49Å; Y183-D187 HydrophobicContact CE2-CB 3.66Å; Y183-D187 WeakPolarHBondContact CE2-OD2 3.36Å; Y183-D187 WeakPolarHBondContact O-CA 3.47Å; Y183-D187 VanDerWaalsContact O-CB 3.31Å; Y183-D187 WeakPolarHBondContact O-CB 3.28Å; Y183-D187 PolarHBondContact O-N 2.86Å; Y183-V188 HydrophobicContact CD1-CG2 4.06Å; Y183-V188 HydrophobicContact CE1-CG2 3.54Å
184F92.1Very high86.4Confident78 Ų7851.1 Ų51.134%0.34228%0.276SS..Hα-helixtrans-67.7-44.3178.2-176.5-95.7000112.4H180 F181 Y182 V188 F189H180-F184 WeakPolarHBondContact O-CB 3.23Å; H180-F184 PolarHBondContact O-N 2.85Å; F181-F184 PolarHBondContact O-N 2.87Å; Y182-F184 VanDerWaalsContact C-N 3.3Å; Y182-F184 PolarHBondContact O-N 3.13Å; F184-V188 HydrophobicContact CD2-CB 3.98Å; F184-V188 HydrophobicContact CD2-CG1 4Å; F184-V188 HydrophobicContact CD2-CG2 4.48Å; F184-V188 HydrophobicContact CE2-CB 4.35Å; F184-V188 HydrophobicContact CE2-CG1 3.94Å; F184-V188 WeakPolarHBondContact O-CB 3.39Å; F184-V188 PolarHBondContact O-N 3.42Å; F184-F189 HydrophobicContact CD1-CB 4.45Å; F184-F189 HydrophobicContact CE1-CB 4.11Å; F184-F189 HydrophobicContact CE1-CD2 4.39Å; F184-F189 WeakPolarHBondContact O-CB 3.4Å; F184-F189 PolarHBondContact O-N 2.99Å
185L90.3Very high85.2Confident50 Ų5051.9 Ų51.926%0.26229%0.285SS..Hα-helixtrans-73.7-32.6-176-70.8174.9000113.9F181 Y182 P190 T198 L199F181-L185 HydrophobicContact CD1-CD1 4.13Å; F181-L185 WeakPolarHBondContact O-CB 3.36Å; F181-L185 WeakPolarHBondContact O-CG 3.34Å; F181-L185 PolarHBondContact O-N 3.35Å; Y182-L185 PolarHBondContact O-N 2.93Å; L185-P190 WeakPolarHBondContact O-CD 3.3Å; L185-P190 WeakPolarHBondContact O-CG 3.11Å; L185-T198 PolarHBondContact O-OG1 2.74Å; L185-L199 HydrophobicContact CB-CD1 3.86Å; L185-L199 HydrophobicContact CB-CG 4.08Å
186E86.5Confident84.4Confident23 Ų2358.3 Ų58.311%0.10731%0.313CS..Hα-helixtrans-92.1-47.7178.3-177.566.7177.600112.9Y182 K197 L199Y182-E186 HydrophobicContact CD1-CB 4.46Å; Y182-E186 HydrophobicContact CE1-CB 3.92Å; Y182-E186 HydrophobicContact CE1-CG 4.13Å; Y182-E186 PolarHBondContact O-N 2.84Å; E186-K197 VanDerWaalsContact CD-NZ 3.31Å; E186-K197 IonicContact OE1-NZ 2.68Å; E186-K197 PolarHBondContact OE1-NZ 2.99Å; E186-K197 WeakPolarHBondContact OE2-CE 3.35Å; E186-K197 IonicContact OE2-NZ 3.69Å; E186-K197 PolarHBondContact OE2-NZ 3.13Å; E186-L199 HydrophobicContact CB-CD1 4.3Å
187D82.7Confident83.5Confident32 Ų3262.8 Ų62.817%0.17133%0.333CS..Hα-helixtrans-101.6-7.6-167.1-58.5-39.1000114.5R135 Y183R135-D187 IonicContact CZ-OD1 3.64Å; R135-D187 IonicContact CZ-OD2 3.14Å; R135-D187 IonicContact NE-OD1 3.72Å; R135-D187 PolarHBondContact NE-OD1 3.24Å; R135-D187 IonicContact NE-OD2 2.83Å; R135-D187 PolarHBondContact NE-OD2 2.75Å; R135-D187 IonicContact NH2-OD1 2.73Å; R135-D187 PolarHBondContact NH2-OD1 3.39Å; R135-D187 IonicContact NH2-OD2 2.66Å; R135-D187 PolarHBondContact NH2-OD2 2.87Å; Y183-D187 HydrophobicContact CD2-CB 3.84Å; Y183-D187 WeakPolarHBondContact CD2-OD2 3.49Å; Y183-D187 HydrophobicContact CE2-CB 3.66Å; Y183-D187 WeakPolarHBondContact CE2-OD2 3.36Å; Y183-D187 WeakPolarHBondContact O-CA 3.47Å; Y183-D187 VanDerWaalsContact O-CB 3.31Å; Y183-D187 WeakPolarHBondContact O-CB 3.28Å; Y183-D187 PolarHBondContact O-N 2.86Å
188V82.9Confident82.8Confident38 Ų3863.2 Ų63.223%0.2334%0.335CS..THydrogen-bonded Turntrans-124.2-57.4-175.3-174.90000112.9Y183 F184 F191Y183-V188 HydrophobicContact CD1-CG2 4.06Å; Y183-V188 HydrophobicContact CE1-CG2 3.54Å; F184-V188 HydrophobicContact CD2-CB 3.98Å; F184-V188 HydrophobicContact CD2-CG1 4Å; F184-V188 HydrophobicContact CD2-CG2 4.48Å; F184-V188 HydrophobicContact CE2-CB 4.35Å; F184-V188 HydrophobicContact CE2-CG1 3.94Å; F184-V188 WeakPolarHBondContact O-CB 3.39Å; F184-V188 PolarHBondContact O-N 3.42Å; V188-F191 PolarHBondContact O-N 2.9Å
189F80.3Confident82.3Confident56 Ų5664.1 Ų64.125%0.24634%0.34CS..G310 helixtrans-58.2-43.3-174.6180-100000113.9F184 F191 Q192 G195 F196 T198F184-F189 HydrophobicContact CD1-CB 4.45Å; F184-F189 HydrophobicContact CE1-CB 4.11Å; F184-F189 HydrophobicContact CE1-CD2 4.39Å; F184-F189 WeakPolarHBondContact O-CB 3.4Å; F184-F189 PolarHBondContact O-N 2.99Å; F189-F191 PolarHBondContact O-N 2.65Å; F189-F191 VanDerWaalsContact O-N 3.08Å; F189-Q192 PolarHBondContact O-N 2.86Å; F189-G195 WeakPolarHBondContact O-CA 3.37Å; F189-F196 WeakPolarHBondContact CD1-O 3.24Å; F189-F196 AromaticContact CE1-CD1 3.96Å; F189-F196 HydrophobicContact CE1-CD1 3.96Å; F189-F196 AromaticContact CE1-CE1 3.92Å; F189-F196 HydrophobicContact CE1-CE1 3.92Å; F189-F196 HydrophobicContact CE1-CG 4.33Å; F189-F196 HydrophobicContact CE1-CZ 4.25Å; F189-F196 HydrophobicContact CZ-CD1 4.28Å; F189-F196 HydrophobicContact CZ-CE1 4Å; F189-T198 HydrophobicContact CD1-CG2 3.69Å; F189-T198 HydrophobicContact CE1-CG2 3.67Å
190P80.1Confident81.7Confident32 Ų3268.5 Ų68.521%0.20837%0.366CS..G310 helixtrans-66.7-12.5-178.6-21.635.5000114.6L185L185-P190 WeakPolarHBondContact O-CD 3.3Å; L185-P190 WeakPolarHBondContact O-CG 3.11Å
191F72.3Confident81.2Confident137 Ų13765.2 Ų65.260%0.60135%0.352SS*.G310 helixtrans-103.74.4-179-59.9-76.5000113.6V188 F189 Y218V188-F191 PolarHBondContact O-N 2.9Å; F189-F191 PolarHBondContact O-N 2.65Å; F189-F191 VanDerWaalsContact O-N 3.08Å; F191-Y218 HydrophobicContact CZ-CE1 4.24Å
192Q72Confident80.7Confident101 Ų10162.9 Ų62.947%0.47235%0.349SS..SBendtrans-88.7156.8171.6-64.1-167.2-3.400111.2F189 G194 G195F189-Q192 PolarHBondContact O-N 2.86Å; Q192-G194 PolarHBondContact O-N 3.29Å; Q192-G195 WeakPolarHBondContact O-CA 3.34Å; Q192-G195 PolarHBondContact O-N 2.78Å
193P56.2Low79.8Confident142 Ų14266.1 Ų66.192%0.92236%0.364SS*.THydrogen-bonded Turntrans-58.4123.2174.8-23.234.4000111.3G195P193-G195 VanDerWaalsContact C-N 3.29Å
194G70.9Confident79.4Confident77 Ų7769.8 Ų69.879%0.79439%0.391SS*.THydrogen-bonded Turntrans79.74-17300000115Q192Q192-G194 PolarHBondContact O-N 3.29Å
195G67.7Low78.9Confident24 Ų2467.3 Ų67.325%0.24738%0.381CS..  trans-68.3149.6172.300000112.7F189 Q192 P193F189-G195 WeakPolarHBondContact O-CA 3.37Å; Q192-G195 WeakPolarHBondContact O-CA 3.34Å; Q192-G195 PolarHBondContact O-N 2.78Å; P193-G195 VanDerWaalsContact C-N 3.29Å
196F78.7Confident78.4Confident134 Ų13468.1 Ų68.159%0.58838%0.382SS*.  trans-141.5159.2175.359-88.5000109.9F189 T198F189-F196 WeakPolarHBondContact CD1-O 3.24Å; F189-F196 AromaticContact CE1-CD1 3.96Å; F189-F196 HydrophobicContact CE1-CD1 3.96Å; F189-F196 AromaticContact CE1-CE1 3.92Å; F189-F196 HydrophobicContact CE1-CE1 3.92Å; F189-F196 HydrophobicContact CE1-CG 4.33Å; F189-F196 HydrophobicContact CE1-CZ 4.25Å; F189-F196 HydrophobicContact CZ-CD1 4.28Å; F189-F196 HydrophobicContact CZ-CE1 4Å; F196-T198 HydrophobicContact CD2-CG2 4.13Å; F196-T198 HydrophobicContact CE2-CG2 3.78Å; F196-T198 HydrophobicContact CZ-CG2 4.31Å; F196-T198 PolarHBondContact O-N 2.66Å
197K76.3Confident77.9Confident100 Ų10076.6 Ų76.644%0.43541%0.413SS..  trans-72.4112.6-179.9-174157-174.4154.60110.4E186 L199 V200E186-K197 VanDerWaalsContact CD-NZ 3.31Å; E186-K197 IonicContact OE1-NZ 2.68Å; E186-K197 PolarHBondContact OE1-NZ 2.99Å; E186-K197 WeakPolarHBondContact OE2-CE 3.35Å; E186-K197 IonicContact OE2-NZ 3.69Å; E186-K197 PolarHBondContact OE2-NZ 3.13Å; K197-L199 WeakPolarHBondContact CE-O 3.49Å; K197-L199 WeakPolarHBondContact CG-O 3.22Å; K197-V200 HydrophobicContact CG-CG2 4.46Å
198T81.3Confident77.8Confident51 Ų5185.3 Ų85.331%0.31344%0.444SS..  trans-89.9-34.5-175.254.10000113.2L185 F189 F196L185-T198 PolarHBondContact O-OG1 2.74Å; F189-T198 HydrophobicContact CD1-CG2 3.69Å; F189-T198 HydrophobicContact CE1-CG2 3.67Å; F196-T198 HydrophobicContact CD2-CG2 4.13Å; F196-T198 HydrophobicContact CE2-CG2 3.78Å; F196-T198 HydrophobicContact CZ-CG2 4.31Å; F196-T198 PolarHBondContact O-N 2.66Å
199L84.5Confident77.7Confident20 Ų2085.7 Ų85.711%0.10544%0.444CS..  trans-95.9112.4176.8-61.2177.6000108.8Y103 Y182 L185 E186 K197Y103-L199 HydrophobicContact CD1-CD2 3.95Å; Y103-L199 HydrophobicContact CD2-CB 4.43Å; Y103-L199 HydrophobicContact CD2-CD2 4.01Å; Y103-L199 HydrophobicContact CE1-CD2 3.98Å; Y103-L199 HydrophobicContact CE2-CB 4.07Å; Y103-L199 HydrophobicContact CE2-CD2 4.04Å; Y103-L199 HydrophobicContact CG-CD2 3.97Å; Y182-L199 HydrophobicContact CD2-CD1 3.74Å; Y182-L199 HydrophobicContact CE2-CD1 3.66Å; Y182-L199 HydrophobicContact CG-CD1 4.46Å; L185-L199 HydrophobicContact CB-CD1 3.86Å; L185-L199 HydrophobicContact CB-CG 4.08Å; E186-L199 HydrophobicContact CB-CD1 4.3Å; K197-L199 WeakPolarHBondContact CE-O 3.49Å; K197-L199 WeakPolarHBondContact CG-O 3.22Å
200V83.2Confident77.6Confident91 Ų9184.4 Ų84.455%0.55244%0.44SS*.  trans-123113.1-176.4-178.80000109.2Y103 K197 P202Y103-V200 PolarHBondContact OH-N 3.32Å; Y103-V200 PolarHBondContact OH-O 3.16Å; Y103-V200 VanDerWaalsContact OH-O 3.08Å; K197-V200 HydrophobicContact CG-CG2 4.46Å; V200-P202 WeakPolarHBondContact O-CD 3.46Å
201T84.6Confident76.3Confident15 Ų1588.1 Ų88.19%0.09247%0.473CS..  trans-55.6121.6174.4-550000110.4A95 D96 A99 L205 K206A95-T201 HydrophobicContact CB-CG2 3.76Å; D96-T201 VanDerWaalsContact OD1-CB 3.32Å; D96-T201 WeakPolarHBondContact OD1-CB 3.44Å; D96-T201 PolarHBondContact OD1-OG1 2.87Å; A99-T201 HydrophobicContact CB-CG2 4.16Å; T201-L205 HydrophobicContact CG2-CB 4.28Å; T201-K206 HydrophobicContact CG2-CG 3.98Å
202P84.5Confident75.1Confident65 Ų6589.5 Ų89.542%0.42248%0.482SS..  trans-58.2138.7178.8-26.534.9000112.7V200 V204 L205 K206V200-P202 WeakPolarHBondContact O-CD 3.46Å; P202-V204 PolarHBondContact O-N 2.91Å; P202-V204 VanDerWaalsContact O-N 3.15Å; P202-L205 HydrophobicContact CG-CD1 4.29Å; P202-L205 WeakPolarHBondContact O-CB 3.25Å; P202-L205 PolarHBondContact O-N 2.96Å; P202-K206 PolarHBondContact O-N 3.47Å
203E76.2Confident73.6Confident81 Ų8190.3 Ų90.338%0.37949%0.489SS..Hα-helixtrans-48.5-42.7177.2-104.8-66.198.200113.3L205 K206 R207E203-L205 VanDerWaalsContact C-N 3.26Å; E203-L205 PolarHBondContact O-N 3.02Å; E203-K206 PolarHBondContact O-N 3.25Å; E203-R207 WeakPolarHBondContact O-CG 3.36Å; E203-R207 PolarHBondContact O-N 3.43Å; E203-R207 VanDerWaalsContact O-N 3.08Å; E203-R207 IonicContact OE2-CZ 2.82Å; E203-R207 IonicContact OE2-NE 3.96Å; E203-R207 PolarHBondContact OE2-NE 2.78Å; E203-R207 IonicContact OE2-NH2 2.8Å; E203-R207 PolarHBondContact OE2-NH2 2.94Å
204V83.2Confident72.9Confident119 Ų11989.9 Ų89.972%0.72148%0.479SS*.Hα-helixtrans-61.5-33.9179-177.20000112.1P202 W208P202-V204 PolarHBondContact O-N 2.91Å; P202-V204 VanDerWaalsContact O-N 3.15Å; V204-W208 WeakPolarHBondContact O-CB 3.31Å; V204-W208 PolarHBondContact O-N 2.79Å
205L82Confident71.3Confident26 Ų2690.6 Ų90.614%0.13647%0.472CS..Hα-helixtrans-74.4-38177.1-93.7164.8000111.9A95 F98 L102 T201 P202 E203 W208 L209A95-L205 HydrophobicContact CB-CB 4.33Å; A95-L205 WeakPolarHBondContact CB-O 3.48Å; F98-L205 HydrophobicContact CD1-CD1 4.33Å; F98-L205 HydrophobicContact CD1-CD2 3.58Å; F98-L205 HydrophobicContact CE1-CD2 4.12Å; F98-L205 HydrophobicContact CG-CD2 4.4Å; L102-L205 HydrophobicContact CD1-CD1 3.68Å; T201-L205 HydrophobicContact CG2-CB 4.28Å; P202-L205 HydrophobicContact CG-CD1 4.29Å; P202-L205 WeakPolarHBondContact O-CB 3.25Å; P202-L205 PolarHBondContact O-N 2.96Å; E203-L205 VanDerWaalsContact C-N 3.26Å; E203-L205 PolarHBondContact O-N 3.02Å; L205-W208 PolarHBondContact O-N 3.1Å; L205-L209 HydrophobicContact CD2-CD1 3.73Å; L205-L209 PolarHBondContact O-N 2.96Å
206K79.6Confident69.8Low67 Ų6793.7 Ų93.729%0.29150%0.496SS..Hα-helixtrans-58.6-58.4174.1-68.8-171.7173.4-170.20110.8A95 T201 P202 E203 W208 L209 D210A95-K206 HydrophobicContact CB-CB 4.46Å; A95-K206 HydrophobicContact CB-CG 4.16Å; T201-K206 HydrophobicContact CG2-CG 3.98Å; P202-K206 PolarHBondContact O-N 3.47Å; E203-K206 PolarHBondContact O-N 3.25Å; K206-W208 PolarHBondContact O-N 2.67Å; K206-L209 PolarHBondContact O-N 3.04Å; K206-L209 VanDerWaalsContact O-N 3.12Å; K206-D210 PolarHBondContact O-N 3.37Å; K206-D210 VanDerWaalsContact O-O 3.09Å
207R76.8Confident67.7Low200 Ų20090.9 Ų90.976%0.75549%0.492SS*.Hα-helixtrans-57.1-18.4-179.7-63.6179.1-167.9-142.4-1.9114.7E203E203-R207 WeakPolarHBondContact O-CG 3.36Å; E203-R207 PolarHBondContact O-N 3.43Å; E203-R207 VanDerWaalsContact O-N 3.08Å; E203-R207 IonicContact OE2-CZ 2.82Å; E203-R207 IonicContact OE2-NE 3.96Å; E203-R207 PolarHBondContact OE2-NE 2.78Å; E203-R207 IonicContact OE2-NH2 2.8Å; E203-R207 PolarHBondContact OE2-NH2 2.94Å
208W80.5Confident66Low215 Ų21592.5 Ų92.581%0.81450%0.497SS*.Hα-helixtrans-102.1-16.9-177-155.463.2000114.3V204 L205 K206V204-W208 WeakPolarHBondContact O-CB 3.31Å; V204-W208 PolarHBondContact O-N 2.79Å; L205-W208 PolarHBondContact O-N 3.1Å; K206-W208 PolarHBondContact O-N 2.67Å
209L81Confident63.9Low46 Ų4697 Ų9724%0.24151%0.514CS..Hα-helixtrans-126.8-25.7-175.1-66.2174.2000114.4T94 A95 F98 L205 K206T94-L209 HydrophobicContact CG2-CB 4.46Å; A95-L209 HydrophobicContact CB-CB 4.19Å; A95-L209 HydrophobicContact CB-CD1 4.48Å; F98-L209 HydrophobicContact CB-CD1 3.76Å; F98-L209 HydrophobicContact CD1-CD1 4.43Å; F98-L209 HydrophobicContact CG-CD1 4.02Å; L205-L209 HydrophobicContact CD2-CD1 3.73Å; L205-L209 PolarHBondContact O-N 2.96Å; K206-L209 PolarHBondContact O-N 3.04Å; K206-L209 VanDerWaalsContact O-N 3.12Å
210D77.2Confident61.6Low30 Ų3098.1 Ų98.116%0.1652%0.522CS..  trans-120.7121.2-179.7-66.8-42.4000110.1R93 T94 A95 K206 Q212R93-D210 VanDerWaalsContact C-OD2 3.28Å; R93-D210 WeakPolarHBondContact CA-OD2 3.42Å; T94-D210 WeakPolarHBondContact CA-OD1 3.28Å; T94-D210 WeakPolarHBondContact CB-OD1 3.31Å; T94-D210 VanDerWaalsContact N-CG 3.29Å; T94-D210 PolarHBondContact N-OD1 3.35Å; T94-D210 PolarHBondContact N-OD2 2.99Å; T94-D210 PolarHBondContact OG1-OD1 3.27Å; A95-D210 WeakPolarHBondContact CB-OD2 3.35Å; A95-D210 PolarHBondContact N-OD2 3.48Å; K206-D210 PolarHBondContact O-N 3.37Å; K206-D210 VanDerWaalsContact O-O 3.09Å; D210-Q212 PolarHBondContact O-N 3.38Å
211A53.3Low59.5Low109 Ų10996.7 Ų96.790%0.90151%0.511SS*.SBendtrans-87.60.3-162.100000115.8
212Q47.8Very low57.6Low166 Ų16699.3 Ų99.378%0.77653%0.529SS*.SBendtrans-143.4141.6176.7-66.5-171.5-75.200110.6D210 D214D210-Q212 PolarHBondContact O-N 3.38Å; Q212-D214 VanDerWaalsContact C-N 3.26Å; Q212-D214 PolarHBondContact O-N 2.85Å
213D40.5Very low55.8Low119 Ų11998.4 Ų98.464%0.63653%0.531SS*.  trans-86.354.5-171.6-164.85.7000113.1S215D213-S215 PolarHBondContact O-N 3.32Å
214D41.9Very low54.6Low132 Ų13298.1 Ų98.171%0.70654%0.535SS*.  trans-75.261.9174.2-90.9-24.1000111.3Q212 A216Q212-D214 VanDerWaalsContact C-N 3.26Å; Q212-D214 PolarHBondContact O-N 2.85Å; D214-A216 PolarHBondContact O-N 3.49Å; D214-A216 VanDerWaalsContact O-N 3.11Å
215S36.6Very low53.3Low92 Ų9294.7 Ų94.764%0.64351%0.512SS*.THydrogen-bonded Turntrans-66.9-1.9171.152.60000113.7D213D213-S215 PolarHBondContact O-N 3.32Å
216A35.1Very low52.5Low90 Ų9094.2 Ų94.274%0.74451%0.51SS*.THydrogen-bonded Turntrans-121.128.8-165.700000116.6D214D214-A216 PolarHBondContact O-N 3.49Å; D214-A216 VanDerWaalsContact O-N 3.11Å
217S36.2Very low51.9Low74 Ų7498.8 Ų98.852%0.51753%0.525SS..  trans-157106.5155.259.10000116.4Q219S217-Q219 PolarHBondContact O-N 3.45Å
218Y40.1Very low51.6Low135 Ų13596.7 Ų96.753%0.52952%0.518SS..  trans-80.595.6157.9173.2-103.6000109.2F191 P220F191-Y218 HydrophobicContact CZ-CE1 4.24Å; Y218-P220 HydrophobicContact CE1-CB 4.22Å; Y218-P220 WeakPolarHBondContact O-CD 3.5Å
219Q36.1Very low51.4Low146 Ų14686.9 Ų86.968%0.68248%0.483SS*.  trans-91.4110.9170.8-66-155.79.200111.1S217S217-Q219 PolarHBondContact O-N 3.45Å
220P36.7Very low51.2Low42 Ų4285.8 Ų85.827%0.27348%0.477SS..  trans-69.2142.917427.5-32.5000111Y218 M225Y218-P220 HydrophobicContact CE1-CB 4.22Å; Y218-P220 WeakPolarHBondContact O-CD 3.5Å; P220-M225 HydrophobicContact CG-CB 4.09Å; P220-M225 HydrophobicContact CG-CG 4.1Å; P220-M225 HydrophobicContact CG-SD 4.33Å
221L39.7Very low50.9Low61 Ų6186.4 Ų86.432%0.31949%0.486SS..  trans-46.9137.8-176.5-82.7170.6000112.7W89 G223 V224 M225W89-L221 HydrophobicContact CD2-CD1 4.18Å; W89-L221 HydrophobicContact CH2-CD1 3.86Å; W89-L221 HydrophobicContact CZ2-CD1 3.41Å; W89-L221 VanDerWaalsContact CZ2-CD1 3.41Å; W89-L221 HydrophobicContact CZ3-CD1 4.38Å; L221-G223 VanDerWaalsContact C-N 3.31Å; L221-G223 PolarHBondContact O-N 3.29Å; L221-G223 VanDerWaalsContact O-N 3.13Å; L221-V224 HydrophobicContact CB-CG2 4.24Å; L221-V224 CarbonylContact O-C 3.59Å; L221-V224 WeakPolarHBondContact O-CA 3.42Å; L221-V224 WeakPolarHBondContact O-CB 3.35Å; L221-V224 PolarHBondContact O-N 3.11Å; L221-M225 PolarHBondContact O-N 3.38Å
222P43.9Very low51.8Low71 Ų7182.3 Ų82.346%0.46145%0.45SS..Hα-helixtrans-55.4-41.7-169.819.2-33.3000113.6V224 M225 V226 F256P222-V224 VanDerWaalsContact C-N 3.27Å; P222-V224 PolarHBondContact O-N 3.31Å; P222-M225 PolarHBondContact O-N 2.73Å; P222-V226 WeakPolarHBondContact O-CB 3.4Å; P222-V226 VanDerWaalsContact O-CG2 3.26Å; P222-V226 WeakPolarHBondContact O-CG2 3.43Å; P222-V226 PolarHBondContact O-N 2.79Å; P222-F256 HydrophobicContact CB-CE1 3.34Å; P222-F256 HydrophobicContact CB-CZ 3.36Å
223G47.2Very low53.3Low46 Ų4674.4 Ų74.447%0.47441%0.413SS..Hα-helixtrans-69.1-19.1177.100000115.1L221 R227L221-G223 VanDerWaalsContact C-N 3.31Å; L221-G223 PolarHBondContact O-N 3.29Å; L221-G223 VanDerWaalsContact O-N 3.13Å; G223-R227 VanDerWaalsContact O-CD 3.24Å; G223-R227 WeakPolarHBondContact O-CD 3.37Å; G223-R227 VanDerWaalsContact O-CG 3.24Å; G223-R227 WeakPolarHBondContact O-CG 3.4Å; G223-R227 PolarHBondContact O-NE 3.33Å
224V50.6Low55.2Low75 Ų7573.6 Ų73.646%0.45540%0.401SS..Hα-helixtrans-90.1-46.4172.8-178.30000109.7L221 P222 V226 R227 Y228L221-V224 HydrophobicContact CB-CG2 4.24Å; L221-V224 CarbonylContact O-C 3.59Å; L221-V224 WeakPolarHBondContact O-CA 3.42Å; L221-V224 WeakPolarHBondContact O-CB 3.35Å; L221-V224 PolarHBondContact O-N 3.11Å; P222-V224 VanDerWaalsContact C-N 3.27Å; P222-V224 PolarHBondContact O-N 3.31Å; V224-V226 PolarHBondContact O-N 3.01Å; V224-R227 PolarHBondContact O-N 2.99Å; V224-R227 VanDerWaalsContact O-N 3.13Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.29Å
225M57.1Low56.4Low47 Ų4771.5 Ų71.523%0.23239%0.389CS..Hα-helixtrans-56.7-47.3176.5-168.5178.3-177.800111.7P220 L221 P222 R227 Y228 S229 F255P220-M225 HydrophobicContact CG-CB 4.09Å; P220-M225 HydrophobicContact CG-CG 4.1Å; P220-M225 HydrophobicContact CG-SD 4.33Å; L221-M225 PolarHBondContact O-N 3.38Å; P222-M225 PolarHBondContact O-N 2.73Å; M225-R227 PolarHBondContact O-N 3.12Å; M225-Y228 PolarHBondContact O-N 3.3Å; M225-S229 VanDerWaalsContact O-CB 3.23Å; M225-S229 WeakPolarHBondContact O-CB 3.36Å; M225-S229 PolarHBondContact O-N 3.37Å; M225-S229 PolarHBondContact O-OG 2.88Å; M225-S229 VanDerWaalsContact O-OG 3.12Å; M225-F255 HydrophobicContact CE-CD2 3.94Å; M225-F255 HydrophobicContact CE-CE2 3.78Å
226V65.6Low57.8Low16 Ų1667.5 Ų67.510%0.09736%0.361CS..Hα-helixtrans-57.3-47.7174.5170.90000111.2P222 V224 L230 I252 F256P222-V226 WeakPolarHBondContact O-CB 3.4Å; P222-V226 VanDerWaalsContact O-CG2 3.26Å; P222-V226 WeakPolarHBondContact O-CG2 3.43Å; P222-V226 PolarHBondContact O-N 2.79Å; V224-V226 PolarHBondContact O-N 3.01Å; V226-L230 HydrophobicContact CG1-CD1 3.82Å; V226-L230 VanDerWaalsContact O-CB 3.28Å; V226-L230 WeakPolarHBondContact O-CB 3.46Å; V226-L230 PolarHBondContact O-N 3.18Å; V226-I252 HydrophobicContact CG1-CG2 4.48Å; V226-F256 HydrophobicContact CG2-CD1 4.22Å; V226-F256 HydrophobicContact CG2-CD2 3.17Å; V226-F256 HydrophobicContact CG2-CE1 4.34Å; V226-F256 HydrophobicContact CG2-CE2 3.31Å; V226-F256 HydrophobicContact CG2-CG 3.67Å; V226-F256 HydrophobicContact CG2-CZ 3.93Å
227R66.9Low59.7Low162 Ų16267.1 Ų67.161%0.61134%0.341SS*.Hα-helixtrans-67.5-42.5-177.7-71.8174.4-168.7-109.14.2112.2G223 V224 M225 A231G223-R227 VanDerWaalsContact O-CD 3.24Å; G223-R227 WeakPolarHBondContact O-CD 3.37Å; G223-R227 VanDerWaalsContact O-CG 3.24Å; G223-R227 WeakPolarHBondContact O-CG 3.4Å; G223-R227 PolarHBondContact O-NE 3.33Å; V224-R227 PolarHBondContact O-N 2.99Å; V224-R227 VanDerWaalsContact O-N 3.13Å; M225-R227 PolarHBondContact O-N 3.12Å; R227-A231 VanDerWaalsContact O-CB 3.29Å; R227-A231 WeakPolarHBondContact O-CB 3.46Å; R227-A231 PolarHBondContact O-N 3.25Å
228Y69.9Low61Low156 Ų15671.5 Ų71.561%0.61235%0.346SS*.Hα-helixtrans-66.1-52.4177.8179.1-98.1000110.3V224 M225 L230 A231 V232V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.29Å; M225-Y228 PolarHBondContact O-N 3.3Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.95Å; Y228-A231 CarbonylContact O-C 3.59Å; Y228-A231 WeakPolarHBondContact O-CB 3.36Å; Y228-A231 PolarHBondContact O-N 3.46Å; Y228-A231 VanDerWaalsContact O-N 3.11Å; Y228-V232 HydrophobicContact CD1-CG2 4.13Å; Y228-V232 HydrophobicContact CD2-CG2 4.31Å; Y228-V232 HydrophobicContact CE1-CG2 3.74Å; Y228-V232 HydrophobicContact CE2-CG2 3.94Å; Y228-V232 HydrophobicContact CG-CG2 4.4Å; Y228-V232 WeakPolarHBondContact O-CG2 3.37Å; Y228-V232 PolarHBondContact O-N 3.21Å
229S76Confident62Low10 Ų1068.7 Ų68.77%0.0734%0.338CS..Hα-helixtrans-62.8-36.4178.4-62.50000112.4M225 V232 A233M225-S229 VanDerWaalsContact O-CB 3.23Å; M225-S229 WeakPolarHBondContact O-CB 3.36Å; M225-S229 PolarHBondContact O-N 3.37Å; M225-S229 PolarHBondContact O-OG 2.88Å; M225-S229 VanDerWaalsContact O-OG 3.12Å; S229-V232 PolarHBondContact O-N 2.9Å; S229-A233 WeakPolarHBondContact O-CB 3.4Å; S229-A233 PolarHBondContact O-N 2.9Å
230L77.1Confident62.9Low22 Ų2261.9 Ų61.912%0.11531%0.307CS..Hα-helixtrans-67.2-39.8172.2-106.7140.4000112.2V226 Y228 R234 Y249 I252 L263V226-L230 HydrophobicContact CG1-CD1 3.82Å; V226-L230 VanDerWaalsContact O-CB 3.28Å; V226-L230 WeakPolarHBondContact O-CB 3.46Å; V226-L230 PolarHBondContact O-N 3.18Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 2.95Å; L230-R234 VanDerWaalsContact O-CB 3.3Å; L230-R234 WeakPolarHBondContact O-CB 3.44Å; L230-R234 VanDerWaalsContact O-CG 3.24Å; L230-R234 WeakPolarHBondContact O-CG 3.21Å; L230-R234 PolarHBondContact O-N 3.05Å; L230-Y249 HydrophobicContact CD2-CE1 4.01Å; L230-I252 HydrophobicContact CB-CD1 4.19Å; L230-I252 HydrophobicContact CD1-CD1 4.14Å; L230-I252 HydrophobicContact CG-CD1 3.78Å; L230-L263 HydrophobicContact CD1-CD1 4.44Å; L230-L263 HydrophobicContact CD1-CD2 4.13Å; L230-L263 HydrophobicContact CD2-CD2 3.84Å; L230-L263 HydrophobicContact CG-CD2 4.43Å
231A70Confident64.4Low43 Ų4365.9 Ų65.936%0.35532%0.317SS..Hα-helixtrans-62.8-49174.700000110.4R227 Y228 A233 R234 I235R227-A231 VanDerWaalsContact O-CB 3.29Å; R227-A231 WeakPolarHBondContact O-CB 3.46Å; R227-A231 PolarHBondContact O-N 3.25Å; Y228-A231 CarbonylContact O-C 3.59Å; Y228-A231 WeakPolarHBondContact O-CB 3.36Å; Y228-A231 PolarHBondContact O-N 3.46Å; Y228-A231 VanDerWaalsContact O-N 3.11Å; A231-A233 PolarHBondContact O-N 2.85Å; A231-R234 PolarHBondContact O-N 3.21Å; A231-I235 WeakPolarHBondContact O-CB 3.49Å; A231-I235 WeakPolarHBondContact O-CD1 3.45Å; A231-I235 WeakPolarHBondContact O-CG1 3.37Å; A231-I235 PolarHBondContact O-N 2.92Å
232V73Confident66.2Low24 Ų2463.5 Ų63.515%0.14530%0.304CS..Hα-helixtrans-66.5-35.6178.2-178.20000111.7Y228 S229 S236 H248Y228-V232 HydrophobicContact CD1-CG2 4.13Å; Y228-V232 HydrophobicContact CD2-CG2 4.31Å; Y228-V232 HydrophobicContact CE1-CG2 3.74Å; Y228-V232 HydrophobicContact CE2-CG2 3.94Å; Y228-V232 HydrophobicContact CG-CG2 4.4Å; Y228-V232 WeakPolarHBondContact O-CG2 3.37Å; Y228-V232 PolarHBondContact O-N 3.21Å; S229-V232 PolarHBondContact O-N 2.9Å; V232-S236 WeakPolarHBondContact O-CB 3.26Å; V232-S236 PolarHBondContact O-N 3.22Å; V232-S236 PolarHBondContact O-OG 2.88Å; V232-H248 VanDerWaalsContact CG1-NE2 3.3Å; V232-H248 WeakPolarHBondContact CG1-NE2 3.42Å
233A79.2Confident68.1Low0 Ų063 Ų630%030%0.296CS..Hα-helixtrans-64.9-50.6175.300000111.4S229 A231 I235 S236 Y237 S245 H248 Y249S229-A233 WeakPolarHBondContact O-CB 3.4Å; S229-A233 PolarHBondContact O-N 2.9Å; A231-A233 PolarHBondContact O-N 2.85Å; A233-I235 VanDerWaalsContact C-N 3.34Å; A233-I235 PolarHBondContact O-N 3.39Å; A233-S236 PolarHBondContact O-N 2.8Å; A233-Y237 WeakPolarHBondContact O-CB 3.34Å; A233-Y237 PolarHBondContact O-N 3.36Å; A233-S245 WeakPolarHBondContact O-CB 3.44Å; A233-S245 PolarHBondContact O-OG 2.89Å; A233-H248 HydrophobicContact CB-CB 3.74Å; A233-Y249 HydrophobicContact CB-CD1 4.46Å; A233-Y249 HydrophobicContact CB-CD2 3.76Å; A233-Y249 HydrophobicContact CB-CE1 4.3Å; A233-Y249 HydrophobicContact CB-CE2 3.56Å; A233-Y249 HydrophobicContact CB-CG 4.21Å
234R79.8Confident69.6Low101 Ų10165.9 Ų65.938%0.38130%0.296SS..Hα-helixtrans-64.7-36.1176.9-69.9170.2170.8177.9-5.2112.4L230 A231 R238 Y249 E266L230-R234 VanDerWaalsContact O-CB 3.3Å; L230-R234 WeakPolarHBondContact O-CB 3.44Å; L230-R234 VanDerWaalsContact O-CG 3.24Å; L230-R234 WeakPolarHBondContact O-CG 3.21Å; L230-R234 PolarHBondContact O-N 3.05Å; A231-R234 PolarHBondContact O-N 3.21Å; R234-R238 WeakPolarHBondContact O-CB 3.39Å; R234-R238 WeakPolarHBondContact O-CD 3.37Å; R234-R238 WeakPolarHBondContact O-CG 3.38Å; R234-R238 PolarHBondContact O-N 2.96Å; R234-R238 VanDerWaalsContact O-N 3.13Å; R234-Y249 VanDerWaalsContact CG-OH 3.31Å; R234-Y249 WeakPolarHBondContact CG-OH 3.43Å; R234-E266 IonicContact CZ-OE1 2.75Å; R234-E266 IonicContact CZ-OE2 3.78Å; R234-E266 IonicContact NE-OE1 2.83Å; R234-E266 IonicContact NE-OE2 3.6Å; R234-E266 PolarHBondContact NE-OE2 3.31Å; R234-E266 IonicContact NH2-OE1 2.81Å; R234-E266 PolarHBondContact NH2-OE1 2.81Å; R234-E266 IonicContact NH2-OE2 3.89Å; R234-E266 PolarHBondContact NH2-OE2 3.45Å
235I67.9Low71.4Confident89 Ų8962.3 Ų62.346%0.45627%0.274SS..Hα-helixtrans-69.4-42.9174-72.9166.8000110.5A231 A233 R238 H239A231-I235 WeakPolarHBondContact O-CB 3.49Å; A231-I235 WeakPolarHBondContact O-CD1 3.45Å; A231-I235 WeakPolarHBondContact O-CG1 3.37Å; A231-I235 PolarHBondContact O-N 2.92Å; A233-I235 VanDerWaalsContact C-N 3.34Å; A233-I235 PolarHBondContact O-N 3.39Å; I235-R238 PolarHBondContact O-N 3.17Å; I235-H239 PolarHBondContact O-N 3.07Å; I235-H239 VanDerWaalsContact O-N 3.08Å; I235-H239 PolarHBondContact O-ND1 3.32Å
236S66.7Low73.1Confident8 Ų860.2 Ų60.26%0.05626%0.263CS..Hα-helixtrans-65-44.6179.1-60.10000111.1V232 A233 R238 H239 G240 R241V232-S236 WeakPolarHBondContact O-CB 3.26Å; V232-S236 PolarHBondContact O-N 3.22Å; V232-S236 PolarHBondContact O-OG 2.88Å; A233-S236 PolarHBondContact O-N 2.8Å; S236-R238 PolarHBondContact O-N 3.33Å; S236-H239 CarbonylContact O-C 3.57Å; S236-H239 VanDerWaalsContact O-C 3.29Å; S236-H239 PolarHBondContact O-N 2.99Å; S236-H239 VanDerWaalsContact O-N 3.14Å; S236-G240 PolarHBondContact O-N 3.04Å; S236-R241 PolarHBondContact O-N 3.39Å
237Y74.4Confident74.2Confident81 Ų8162 Ų6232%0.31828%0.28SS..Hα-helixtrans-61.4-41.6175.8-175.1-136.7000112.4A233 H239 G240 V242 S245 D269 V270 S273A233-Y237 WeakPolarHBondContact O-CB 3.34Å; A233-Y237 PolarHBondContact O-N 3.36Å; Y237-H239 VanDerWaalsContact C-N 3.32Å; Y237-H239 PolarHBondContact O-N 3.06Å; Y237-G240 PolarHBondContact O-N 3.07Å; Y237-V242 HydrophobicContact CD2-CG1 4.34Å; Y237-V242 HydrophobicContact CE2-CG1 4.46Å; Y237-S245 WeakPolarHBondContact CB-OG 3.2Å; Y237-D269 HydrophobicContact CE1-CB 4.49Å; Y237-D269 PolarHBondContact OH-O 3.23Å; Y237-V270 HydrophobicContact CD1-CG2 3.74Å; Y237-V270 HydrophobicContact CD2-CG2 3.7Å; Y237-V270 HydrophobicContact CE1-CG2 3.94Å; Y237-V270 HydrophobicContact CE2-CG2 3.91Å; Y237-V270 HydrophobicContact CG-CG2 3.61Å; Y237-S273 PolarHBondContact OH-OG 2.89Å
238R62.4Low75.2Confident166 Ų16656.2 Ų56.263%0.62626%0.26SS*.Hα-helixtrans-58.1-44173.1-76169.9-173.8-161.10.3111.7R234 I235 S236 G240 R799R234-R238 WeakPolarHBondContact O-CB 3.39Å; R234-R238 WeakPolarHBondContact O-CD 3.37Å; R234-R238 WeakPolarHBondContact O-CG 3.38Å; R234-R238 PolarHBondContact O-N 2.96Å; R234-R238 VanDerWaalsContact O-N 3.13Å; I235-R238 PolarHBondContact O-N 3.17Å; S236-R238 PolarHBondContact O-N 3.33Å; R238-G240 VanDerWaalsContact C-N 3.25Å; R238-G240 PolarHBondContact O-N 3.49Å; R238-R799 WeakPolarHBondContact O-CD 3.28Å; R238-R799 PolarHBondContact O-NE 3.48Å; R238-R799 PolarHBondContact O-NH1 2.91Å; R238-R799 PolarHBondContact O-NH2 2.77Å
239H60.7Low76.4Confident76 Ų7648.9 Ų48.935%0.35223%0.231SC..THydrogen-bonded Turntrans-87.930.4177.7-58.593.6000113.3I235 S236 Y237 R241 E766I235-H239 PolarHBondContact O-N 3.07Å; I235-H239 VanDerWaalsContact O-N 3.08Å; I235-H239 PolarHBondContact O-ND1 3.32Å; S236-H239 CarbonylContact O-C 3.57Å; S236-H239 VanDerWaalsContact O-C 3.29Å; S236-H239 PolarHBondContact O-N 2.99Å; S236-H239 VanDerWaalsContact O-N 3.14Å; Y237-H239 VanDerWaalsContact C-N 3.32Å; Y237-H239 PolarHBondContact O-N 3.06Å; H239-R241 PolarHBondContact O-N 2.91Å; H239-E766 IonicContact CD2-OE1 3.17Å
240G55.4Low77.1Confident4 Ų449.2 Ų49.24%0.04123%0.232CC..THydrogen-bonded Turntrans70.3-8.7173.800000117.7S236 Y237 R238 V242 K277 E763 Y795S236-G240 PolarHBondContact O-N 3.04Å; Y237-G240 PolarHBondContact O-N 3.07Å; R238-G240 VanDerWaalsContact C-N 3.25Å; R238-G240 PolarHBondContact O-N 3.49Å; G240-V242 WeakPolarHBondContact O-CG2 3.45Å; G240-V242 PolarHBondContact O-N 3.38Å; G240-K277 PolarHBondContact O-NZ 2.9Å; G240-E763 VanDerWaalsContact O-CD 3.24Å; G240-Y795 WeakPolarHBondContact CA-OH 3.32Å; G240-Y795 PolarHBondContact N-OH 3.19Å
241R69Low77.5Confident126 Ų12649.6 Ų49.648%0.47524%0.239SC..  trans-78.868.3-175.4-62.1171.7-143-169.24.6110.9S236 H239 E243 K244 S245S236-R241 PolarHBondContact O-N 3.39Å; H239-R241 PolarHBondContact O-N 2.91Å; R241-E243 VanDerWaalsContact C-N 3.3Å; R241-E243 VanDerWaalsContact C-OE2 3.27Å; R241-E243 WeakPolarHBondContact CA-OE2 3.32Å; R241-E243 PolarHBondContact O-N 2.69Å; R241-K244 HydrophobicContact CB-CB 4.26Å; R241-K244 PolarHBondContact O-N 2.92Å; R241-S245 PolarHBondContact O-N 2.76Å
242V77.9Confident78.3Confident10 Ų1047.7 Ų47.76%0.06122%0.222CC..Hα-helixtrans-62.4-37.1-172.9-1510000111.8Y237 G240 S245 L246 V270 F274 K277Y237-V242 HydrophobicContact CD2-CG1 4.34Å; Y237-V242 HydrophobicContact CE2-CG1 4.46Å; G240-V242 WeakPolarHBondContact O-CG2 3.45Å; G240-V242 PolarHBondContact O-N 3.38Å; V242-S245 WeakPolarHBondContact O-CB 3.49Å; V242-S245 PolarHBondContact O-N 3.48Å; V242-L246 VanDerWaalsContact O-CB 3.3Å; V242-L246 WeakPolarHBondContact O-CB 3.4Å; V242-L246 PolarHBondContact O-N 2.92Å; V242-V270 HydrophobicContact CG1-CG1 3.88Å; V242-V270 WeakPolarHBondContact CG1-O 3.49Å; V242-F274 HydrophobicContact CB-CB 4.45Å; V242-F274 HydrophobicContact CG1-CB 3.87Å; V242-K277 HydrophobicContact CG2-CD 3.88Å
243E82.2Confident79.1Confident60 Ų6046.6 Ų46.628%0.2822%0.215SC..Hα-helixtrans-60.2-52.2177.8-40.986.2159.900110.2R241 S245 L246 A247 F274 K277 H278R241-E243 VanDerWaalsContact C-N 3.3Å; R241-E243 VanDerWaalsContact C-OE2 3.27Å; R241-E243 WeakPolarHBondContact CA-OE2 3.32Å; R241-E243 PolarHBondContact O-N 2.69Å; E243-S245 VanDerWaalsContact C-N 3.31Å; E243-S245 PolarHBondContact O-N 2.83Å; E243-L246 PolarHBondContact O-N 2.94Å; E243-A247 WeakPolarHBondContact O-CB 3.32Å; E243-A247 PolarHBondContact O-N 3.26Å; E243-F274 HydrophobicContact CB-CE2 4.36Å; E243-F274 HydrophobicContact CG-CD2 4.35Å; E243-F274 HydrophobicContact CG-CE2 4.2Å; E243-K277 WeakPolarHBondContact OE1-CE 3.32Å; E243-K277 IonicContact OE1-NZ 3.99Å; E243-K277 PolarHBondContact OE1-NZ 3.21Å; E243-K277 IonicContact OE2-NZ 2.62Å; E243-K277 PolarHBondContact OE2-NZ 3.29Å; E243-H278 VanDerWaalsContact CG-NE2 3.25Å; E243-H278 WeakPolarHBondContact CG-NE2 3.35Å; E243-H278 IonicContact OE1-CE1 2.71Å; E243-H278 IonicContact OE1-NE2 3.43Å
244K80.4Confident79.5Confident108 Ų10849.3 Ų49.347%0.4723%0.226SC..Hα-helixtrans-66.4-34.8177.6-176.4161-174.2155.80111.7R241 H248R241-K244 HydrophobicContact CB-CB 4.26Å; R241-K244 PolarHBondContact O-N 2.92Å; K244-H248 VanDerWaalsContact CE-NE2 3.33Å; K244-H248 WeakPolarHBondContact CE-NE2 3.49Å; K244-H248 PolarHBondContact O-CD2 2.87Å; K244-H248 PolarHBondContact O-N 3.33Å; K244-H248 VanDerWaalsContact O-N 3.11Å
245S87.1Confident79.5Confident0 Ų048.9 Ų48.90%023%0.227CC..Hα-helixtrans-64.2-51.5174.1-167.40000111.8A233 Y237 R241 V242 E243 A247 H248 Y249A233-S245 WeakPolarHBondContact O-CB 3.44Å; A233-S245 PolarHBondContact O-OG 2.89Å; Y237-S245 WeakPolarHBondContact CB-OG 3.2Å; R241-S245 PolarHBondContact O-N 2.76Å; V242-S245 WeakPolarHBondContact O-CB 3.49Å; V242-S245 PolarHBondContact O-N 3.48Å; E243-S245 VanDerWaalsContact C-N 3.31Å; E243-S245 PolarHBondContact O-N 2.83Å; S245-A247 PolarHBondContact O-N 2.83Å; S245-H248 PolarHBondContact O-N 3.33Å; S245-H248 VanDerWaalsContact O-N 3.15Å; S245-Y249 VanDerWaalsContact O-CD2 3.25Å; S245-Y249 WeakPolarHBondContact O-CD2 3.42Å; S245-Y249 PolarHBondContact O-N 2.94Å; S245-Y249 WeakPolarHBondContact OG-CE2 3.18Å
246L92.6Very high80.3Confident2 Ų246.9 Ų46.91%0.0122%0.215CC..Hα-helixtrans-61.3-43.4-179.3-171.465.3000111V242 E243 H248 Y249 L250 F267 V270 L271 F274 R290V242-L246 VanDerWaalsContact O-CB 3.3Å; V242-L246 WeakPolarHBondContact O-CB 3.4Å; V242-L246 PolarHBondContact O-N 2.92Å; E243-L246 PolarHBondContact O-N 2.94Å; L246-H248 PolarHBondContact O-N 2.94Å; L246-Y249 PolarHBondContact O-N 3.17Å; L246-L250 HydrophobicContact CG-CD1 4.11Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CB 3.5Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 2.75Å; L246-F267 HydrophobicContact CD1-CD2 4.12Å; L246-F267 HydrophobicContact CD1-CE2 3.45Å; L246-F267 VanDerWaalsContact CD1-CE2 3.45Å; L246-F267 HydrophobicContact CD1-CZ 3.84Å; L246-V270 HydrophobicContact CB-CG1 3.91Å; L246-V270 HydrophobicContact CD1-CG1 4.15Å; L246-L271 HydrophobicContact CD1-CB 4.19Å; L246-L271 HydrophobicContact CD1-CD1 4.02Å; L246-L271 HydrophobicContact CD2-CD1 3.88Å; L246-F274 HydrophobicContact CD2-CB 3.89Å; L246-F274 HydrophobicContact CD2-CD1 3.59Å; L246-F274 HydrophobicContact CD2-CD2 3.87Å; L246-F274 HydrophobicContact CD2-CE1 4.06Å; L246-F274 HydrophobicContact CD2-CE2 4.3Å; L246-F274 HydrophobicContact CD2-CG 3.49Å; L246-F274 VanDerWaalsContact CD2-CG 3.49Å; L246-F274 HydrophobicContact CD2-CZ 4.39Å; L246-R290 HydrophobicContact CD2-CB 4Å; L246-R290 HydrophobicContact CD2-CG 4.25Å
247A89.3Confident81.2Confident54 Ų5449 Ų4945%0.44623%0.228SC..Hα-helixtrans-58.6-44.117400000112.3E243 S245 L250 A251E243-A247 WeakPolarHBondContact O-CB 3.32Å; E243-A247 PolarHBondContact O-N 3.26Å; S245-A247 PolarHBondContact O-N 2.83Å; A247-L250 PolarHBondContact O-N 2.91Å; A247-A251 WeakPolarHBondContact O-CB 3.48Å; A247-A251 PolarHBondContact O-N 3.28Å
248H89.1Confident81.6Confident41 Ų4150.7 Ų50.719%0.1925%0.252CS..Hα-helixtrans-66.9-37.7175.8-79.2-58000112.9V232 A233 K244 S245 L246 I252V232-H248 VanDerWaalsContact CG1-NE2 3.3Å; V232-H248 WeakPolarHBondContact CG1-NE2 3.42Å; A233-H248 HydrophobicContact CB-CB 3.74Å; K244-H248 VanDerWaalsContact CE-NE2 3.33Å; K244-H248 WeakPolarHBondContact CE-NE2 3.49Å; K244-H248 PolarHBondContact O-CD2 2.87Å; K244-H248 PolarHBondContact O-N 3.33Å; K244-H248 VanDerWaalsContact O-N 3.11Å; S245-H248 PolarHBondContact O-N 3.33Å; S245-H248 VanDerWaalsContact O-N 3.15Å; L246-H248 PolarHBondContact O-N 2.94Å; H248-I252 WeakPolarHBondContact O-CD1 3.25Å; H248-I252 WeakPolarHBondContact O-CG1 3.33Å; H248-I252 PolarHBondContact O-N 2.84Å; H248-I252 VanDerWaalsContact O-N 3.07Å
249Y93.3Very high82.7Confident2 Ų247 Ų471%0.00824%0.24CC..Hα-helixtrans-68.3-44.8173.2-75.6-72.2000112.5L230 A233 R234 S245 L246 A251 I252 L253 L263 E266 F267 V270L230-Y249 HydrophobicContact CD2-CE1 4.01Å; A233-Y249 HydrophobicContact CB-CD1 4.46Å; A233-Y249 HydrophobicContact CB-CD2 3.76Å; A233-Y249 HydrophobicContact CB-CE1 4.3Å; A233-Y249 HydrophobicContact CB-CE2 3.56Å; A233-Y249 HydrophobicContact CB-CG 4.21Å; R234-Y249 VanDerWaalsContact CG-OH 3.31Å; R234-Y249 WeakPolarHBondContact CG-OH 3.43Å; S245-Y249 VanDerWaalsContact O-CD2 3.25Å; S245-Y249 WeakPolarHBondContact O-CD2 3.42Å; S245-Y249 PolarHBondContact O-N 2.94Å; S245-Y249 WeakPolarHBondContact OG-CE2 3.18Å; L246-Y249 PolarHBondContact O-N 3.17Å; Y249-A251 VanDerWaalsContact C-N 3.27Å; Y249-A251 PolarHBondContact O-N 2.93Å; Y249-I252 WeakPolarHBondContact O-CB 3.24Å; Y249-I252 PolarHBondContact O-N 3.06Å; Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.43Å; Y249-L253 PolarHBondContact O-N 3.06Å; Y249-L263 HydrophobicContact CD1-CD1 4.43Å; Y249-E266 HydrophobicContact CE1-CB 4.47Å; Y249-E266 PolarHBondContact OH-OE2 3.37Å; Y249-F267 HydrophobicContact CG-CD2 4.17Å; Y249-V270 HydrophobicContact CD2-CG1 4.38Å; Y249-V270 HydrophobicContact CD2-CG2 4.36Å; Y249-V270 HydrophobicContact CE2-CG2 3.86Å
250L91.7Very high84Confident17 Ų1744 Ų449%0.08923%0.23CC..Hα-helixtrans-57.8-40.1175.7-75.8173.6000111.4L246 A247 L253 R254 F267 M293 Y297L246-L250 HydrophobicContact CG-CD1 4.11Å; L246-L250 HydrophobicContact CG-CG 4.42Å; L246-L250 WeakPolarHBondContact O-CB 3.5Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 2.75Å; A247-L250 PolarHBondContact O-N 2.91Å; L250-L253 PolarHBondContact O-N 3.27Å; L250-R254 WeakPolarHBondContact O-CB 3.37Å; L250-R254 PolarHBondContact O-N 3.27Å; L250-F267 HydrophobicContact CD2-CE2 3.94Å; L250-F267 HydrophobicContact CD2-CZ 3.76Å; L250-F267 HydrophobicContact CG-CE2 4.09Å; L250-F267 HydrophobicContact CG-CZ 4.33Å; L250-M293 HydrophobicContact CD1-CB 4.37Å; L250-M293 HydrophobicContact CD1-SD 4.12Å; L250-M293 HydrophobicContact CD2-CB 4.02Å; L250-Y297 HydrophobicContact CD2-CE2 4.38Å
251A85.8Confident85.4Confident30 Ų3048.2 Ų48.225%0.24826%0.263CS..Hα-helixtrans-62.8-44.8172.600000112.4A247 Y249 L253 R254 F255A247-A251 WeakPolarHBondContact O-CB 3.48Å; A247-A251 PolarHBondContact O-N 3.28Å; Y249-A251 VanDerWaalsContact C-N 3.27Å; Y249-A251 PolarHBondContact O-N 2.93Å; A251-L253 VanDerWaalsContact C-N 3.32Å; A251-L253 PolarHBondContact O-N 3.09Å; A251-R254 PolarHBondContact O-N 3.19Å; A251-F255 WeakPolarHBondContact O-CD2 3.4Å; A251-F255 PolarHBondContact O-N 3.46Å
252I86.4Confident86.2Confident3 Ų346 Ų462%0.01527%0.272CS..Hα-helixtrans-61.5-41.2175.9-66.9163.1000111.1V226 L230 H248 Y249 F256 L263V226-I252 HydrophobicContact CG1-CG2 4.48Å; L230-I252 HydrophobicContact CB-CD1 4.19Å; L230-I252 HydrophobicContact CD1-CD1 4.14Å; L230-I252 HydrophobicContact CG-CD1 3.78Å; H248-I252 WeakPolarHBondContact O-CD1 3.25Å; H248-I252 WeakPolarHBondContact O-CG1 3.33Å; H248-I252 PolarHBondContact O-N 2.84Å; H248-I252 VanDerWaalsContact O-N 3.07Å; Y249-I252 WeakPolarHBondContact O-CB 3.24Å; Y249-I252 PolarHBondContact O-N 3.06Å; I252-F256 WeakPolarHBondContact O-CA 3.31Å; I252-F256 WeakPolarHBondContact O-CB 3.39Å; I252-F256 WeakPolarHBondContact O-CD2 3.4Å; I252-F256 PolarHBondContact O-N 3.04Å; I252-L263 HydrophobicContact CG2-CD1 3.81Å
253L89.4Confident86.8Confident0 Ų046 Ų460%027%0.272CS..Hα-helixtrans-68.7-41.9179.8-68170.6000111.5Y249 L250 A251 F256 P257 A260 L263 F267 Y297 Y298Y249-L253 VanDerWaalsContact O-CG 3.3Å; Y249-L253 WeakPolarHBondContact O-CG 3.43Å; Y249-L253 PolarHBondContact O-N 3.06Å; L250-L253 PolarHBondContact O-N 3.27Å; A251-L253 VanDerWaalsContact C-N 3.32Å; A251-L253 PolarHBondContact O-N 3.09Å; L253-F256 CarbonylContact O-C 3.59Å; L253-F256 VanDerWaalsContact O-C 3.32Å; L253-F256 PolarHBondContact O-N 3.47Å; L253-P257 VanDerWaalsContact O-CA 3.29Å; L253-P257 WeakPolarHBondContact O-CA 3.48Å; L253-P257 VanDerWaalsContact O-CD 3.31Å; L253-P257 WeakPolarHBondContact O-CD 3.18Å; L253-P257 WeakPolarHBondContact O-CG 3.41Å; L253-A260 HydrophobicContact CD2-CB 3.98Å; L253-L263 HydrophobicContact CD2-CD1 4.37Å; L253-F267 HydrophobicContact CD1-CD1 4.45Å; L253-F267 HydrophobicContact CD1-CD2 3.79Å; L253-F267 HydrophobicContact CD1-CE1 4.44Å; L253-F267 HydrophobicContact CD1-CE2 3.75Å; L253-F267 HydrophobicContact CD1-CG 4.11Å; L253-F267 HydrophobicContact CD1-CZ 4.09Å; L253-Y297 VanDerWaalsContact C-CE1 3.5Å; L253-Y297 HydrophobicContact CB-CD1 3.86Å; L253-Y297 HydrophobicContact CB-CD2 4.29Å; L253-Y297 HydrophobicContact CB-CE1 3.54Å; L253-Y297 HydrophobicContact CB-CE2 4.03Å; L253-Y297 HydrophobicContact CB-CG 4.22Å; L253-Y297 HydrophobicContact CD1-CD2 4.24Å; L253-Y297 HydrophobicContact CD1-CG 4.31Å; L253-Y297 WeakPolarHBondContact O-CE1 3.18Å; L253-Y298 HydrophobicContact CD1-CE2 3.79Å
254R86.9Confident87.3Confident58 Ų5846.1 Ų46.122%0.21927%0.272CS..Hα-helixtrans-61-48.2176.1-176.1-174.3-173.1-156.58.4112.5L250 A251 Y297 Y1011 C1012 T1013L250-R254 WeakPolarHBondContact O-CB 3.37Å; L250-R254 PolarHBondContact O-N 3.27Å; A251-R254 PolarHBondContact O-N 3.19Å; R254-Y297 WeakPolarHBondContact CA-OH 3.33Å; R254-Y297 PolarHBondContact N-OH 3.17Å; R254-Y1011 PolarHBondContact NE-O 2.93Å; R254-C1012 HydrophobicContact CG-CB 4.23Å; R254-C1012 PolarHBondContact NE-O 2.9Å; R254-C1012 PolarHBondContact NH2-O 2.8Å; R254-T1013 PolarHBondContact NH1-OG1 2.9Å; R254-T1013 PolarHBondContact NH2-O 2.96Å; R254-T1013 PolarHBondContact NH2-OG1 3.12Å
255F81.2Confident87.4Confident92 Ų9245.7 Ų45.740%0.40428%0.278SS..Hα-helixtrans-79.4-23.2-179.4-66.9-60.7000113M225 A251M225-F255 HydrophobicContact CE-CD2 3.94Å; M225-F255 HydrophobicContact CE-CE2 3.78Å; A251-F255 WeakPolarHBondContact O-CD2 3.4Å; A251-F255 PolarHBondContact O-N 3.46Å
256F84.5Confident87.4Confident46 Ų4648.8 Ų48.820%0.20229%0.293CS..  trans-139.367.8-177.1-48-76.4000112.7P222 V226 I252 L253 S258 K259P222-F256 HydrophobicContact CB-CE1 3.34Å; P222-F256 HydrophobicContact CB-CZ 3.36Å; V226-F256 HydrophobicContact CG2-CD1 4.22Å; V226-F256 HydrophobicContact CG2-CD2 3.17Å; V226-F256 HydrophobicContact CG2-CE1 4.34Å; V226-F256 HydrophobicContact CG2-CE2 3.31Å; V226-F256 HydrophobicContact CG2-CG 3.67Å; V226-F256 HydrophobicContact CG2-CZ 3.93Å; I252-F256 WeakPolarHBondContact O-CA 3.31Å; I252-F256 WeakPolarHBondContact O-CB 3.39Å; I252-F256 WeakPolarHBondContact O-CD2 3.4Å; I252-F256 PolarHBondContact O-N 3.04Å; L253-F256 CarbonylContact O-C 3.59Å; L253-F256 VanDerWaalsContact O-C 3.32Å; L253-F256 PolarHBondContact O-N 3.47Å; F256-S258 PolarHBondContact O-N 3.37Å; F256-K259 HydrophobicContact CB-CG 3.91Å; F256-K259 VanDerWaalsContact O-CB 3.31Å; F256-K259 WeakPolarHBondContact O-CB 3.18Å; F256-K259 PolarHBondContact O-N 2.99Å
257P84.5Confident87.4Confident52 Ų5248.7 Ų48.734%0.33829%0.293SS..G310 helixtrans-57-28.2-177.1-26.534.8000114L253 K259 A260 Y1011L253-P257 VanDerWaalsContact O-CA 3.29Å; L253-P257 WeakPolarHBondContact O-CA 3.48Å; L253-P257 VanDerWaalsContact O-CD 3.31Å; L253-P257 WeakPolarHBondContact O-CD 3.18Å; L253-P257 WeakPolarHBondContact O-CG 3.41Å; P257-K259 PolarHBondContact O-N 3.09Å; P257-A260 WeakPolarHBondContact O-CB 3.43Å; P257-A260 PolarHBondContact O-N 3.08Å; P257-Y1011 HydrophobicContact CB-CE2 3.94Å; P257-Y1011 HydrophobicContact CG-CD2 3.92Å; P257-Y1011 HydrophobicContact CG-CE2 3.62Å
258S83.9Confident87.6Confident117 Ų11746.2 Ų46.282%0.81827%0.272SS*.G310 helixtrans-62.1-6.6173.359.50000114.9F256F256-S258 PolarHBondContact O-N 3.37Å
259K85Confident87.2Confident88 Ų8846.5 Ų46.538%0.38328%0.275SS..G310 helixtrans-86.4-15.1170.7-68-68.9177.8-1740114.2F256 P257 A261 A262 L263F256-K259 HydrophobicContact CB-CG 3.91Å; F256-K259 VanDerWaalsContact O-CB 3.31Å; F256-K259 WeakPolarHBondContact O-CB 3.18Å; F256-K259 PolarHBondContact O-N 2.99Å; P257-K259 PolarHBondContact O-N 3.09Å; K259-A261 PolarHBondContact O-N 2.73Å; K259-A262 WeakPolarHBondContact O-CA 3.44Å; K259-A262 PolarHBondContact O-N 2.93Å; K259-L263 HydrophobicContact CB-CD1 3.85Å; K259-L263 HydrophobicContact CB-CG 4.29Å; K259-L263 PolarHBondContact O-N 3.15Å
260A88.1Confident86.9Confident15 Ų1546.4 Ų46.412%0.12427%0.274CS..Hα-helixtrans-51.5-53.6-168.600000113.7L253 P257 A262 L263 E264 Y298L253-A260 HydrophobicContact CD2-CB 3.98Å; P257-A260 WeakPolarHBondContact O-CB 3.43Å; P257-A260 PolarHBondContact O-N 3.08Å; A260-A262 PolarHBondContact O-N 3.17Å; A260-L263 PolarHBondContact O-N 2.54Å; A260-E264 PolarHBondContact O-N 2.89Å; A260-Y298 WeakPolarHBondContact CA-OH 3.43Å; A260-Y298 HydrophobicContact CB-CE1 4.11Å; A260-Y298 WeakPolarHBondContact O-CE1 3.47Å; A260-Y298 PolarHBondContact O-OH 3.05Å
261A85.5Confident86.9Confident91 Ų9145.6 Ų45.675%0.75227%0.27SS*.Hα-helixtrans-64.3-21.2179.800000114.4K259K259-A261 PolarHBondContact O-N 2.73Å
262A85.9Confident86.9Confident80 Ų8045.5 Ų45.566%0.66127%0.265SS*.Hα-helixtrans-90.8-8.1176.900000113.3K259 A260K259-A262 WeakPolarHBondContact O-CA 3.44Å; K259-A262 PolarHBondContact O-N 2.93Å; A260-A262 PolarHBondContact O-N 3.17Å
263L91.2Very high86.5Confident9 Ų947.3 Ų47.35%0.04728%0.278CS..Hα-helixtrans-118.8-7.9-178.6-62.7-178.2000113.5L230 Y249 I252 L253 K259 A260 V265 E266 F267L230-L263 HydrophobicContact CD1-CD1 4.44Å; L230-L263 HydrophobicContact CD1-CD2 4.13Å; L230-L263 HydrophobicContact CD2-CD2 3.84Å; L230-L263 HydrophobicContact CG-CD2 4.43Å; Y249-L263 HydrophobicContact CD1-CD1 4.43Å; I252-L263 HydrophobicContact CG2-CD1 3.81Å; L253-L263 HydrophobicContact CD2-CD1 4.37Å; K259-L263 HydrophobicContact CB-CD1 3.85Å; K259-L263 HydrophobicContact CB-CG 4.29Å; K259-L263 PolarHBondContact O-N 3.15Å; A260-L263 PolarHBondContact O-N 2.54Å; L263-V265 PolarHBondContact O-N 2.9Å; L263-E266 PolarHBondContact O-N 3.09Å; L263-F267 WeakPolarHBondContact O-CB 3.22Å; L263-F267 PolarHBondContact O-N 3.16Å
264E91.8Very high86.4Confident63 Ų6347.4 Ų47.429%0.29428%0.278SS..Hα-helixtrans-48.2-49.5-171.7-174.8172.4166.200114A260 F267 L268 Y298 S301A260-E264 PolarHBondContact O-N 2.89Å; E264-F267 PolarHBondContact O-N 2.93Å; E264-L268 HydrophobicContact CG-CD1 3.77Å; E264-L268 HydrophobicContact CG-CG 4.37Å; E264-L268 WeakPolarHBondContact O-CB 3.37Å; E264-L268 VanDerWaalsContact O-CG 3.24Å; E264-L268 WeakPolarHBondContact O-CG 3.11Å; E264-L268 PolarHBondContact O-N 2.91Å; E264-Y298 HydrophobicContact CB-CD1 4.23Å; E264-Y298 HydrophobicContact CB-CE1 3.58Å; E264-Y298 HydrophobicContact CG-CD1 3.75Å; E264-Y298 HydrophobicContact CG-CE1 3.63Å; E264-S301 WeakPolarHBondContact OE1-CB 3.17Å; E264-S301 PolarHBondContact OE1-OG 3.46Å
265V83.2Confident86.1Confident99 Ų9944.8 Ų44.860%0.627%0.268SS*.Hα-helixtrans-63.9-53.4-177.8-1760000111.1L263 F267 L268 D269L263-V265 PolarHBondContact O-N 2.9Å; V265-F267 VanDerWaalsContact C-N 3.28Å; V265-F267 PolarHBondContact O-N 3.49Å; V265-L268 PolarHBondContact O-N 3.48Å; V265-D269 PolarHBondContact O-N 2.93Å
266E85.7Confident85.7Confident66 Ų6644.1 Ų44.131%0.30827%0.272SS..Hα-helixtrans-62.9-34.7179.7-68.8-179.2-167.600112.3R234 Y249 L263 V270R234-E266 IonicContact CZ-OE1 2.75Å; R234-E266 IonicContact CZ-OE2 3.78Å; R234-E266 IonicContact NE-OE1 2.83Å; R234-E266 IonicContact NE-OE2 3.6Å; R234-E266 PolarHBondContact NE-OE2 3.31Å; R234-E266 IonicContact NH2-OE1 2.81Å; R234-E266 PolarHBondContact NH2-OE1 2.81Å; R234-E266 IonicContact NH2-OE2 3.89Å; R234-E266 PolarHBondContact NH2-OE2 3.45Å; Y249-E266 HydrophobicContact CE1-CB 4.47Å; Y249-E266 PolarHBondContact OH-OE2 3.37Å; L263-E266 PolarHBondContact O-N 3.09Å; E266-V270 WeakPolarHBondContact O-CG2 3.49Å; E266-V270 PolarHBondContact O-N 3Å
267F94.2Very high85Confident0 Ų044.1 Ų44.10%027%0.272CS..Hα-helixtrans-70.1-45.3177.3179.4-102.6000112L246 Y249 L250 L253 L263 E264 V265 V270 L271 A294 Y298L246-F267 HydrophobicContact CD1-CD2 4.12Å; L246-F267 HydrophobicContact CD1-CE2 3.45Å; L246-F267 VanDerWaalsContact CD1-CE2 3.45Å; L246-F267 HydrophobicContact CD1-CZ 3.84Å; Y249-F267 HydrophobicContact CG-CD2 4.17Å; L250-F267 HydrophobicContact CD2-CE2 3.94Å; L250-F267 HydrophobicContact CD2-CZ 3.76Å; L250-F267 HydrophobicContact CG-CE2 4.09Å; L250-F267 HydrophobicContact CG-CZ 4.33Å; L253-F267 HydrophobicContact CD1-CD1 4.45Å; L253-F267 HydrophobicContact CD1-CD2 3.79Å; L253-F267 HydrophobicContact CD1-CE1 4.44Å; L253-F267 HydrophobicContact CD1-CE2 3.75Å; L253-F267 HydrophobicContact CD1-CG 4.11Å; L253-F267 HydrophobicContact CD1-CZ 4.09Å; L263-F267 WeakPolarHBondContact O-CB 3.22Å; L263-F267 PolarHBondContact O-N 3.16Å; E264-F267 PolarHBondContact O-N 2.93Å; V265-F267 VanDerWaalsContact C-N 3.28Å; V265-F267 PolarHBondContact O-N 3.49Å; F267-V270 PolarHBondContact O-N 2.76Å; F267-L271 HydrophobicContact CE1-CD2 4.13Å; F267-L271 WeakPolarHBondContact O-CB 3.39Å; F267-L271 PolarHBondContact O-N 2.86Å; F267-A294 HydrophobicContact CE1-CB 3.66Å; F267-A294 HydrophobicContact CZ-CB 3.83Å; F267-Y298 HydrophobicContact CB-CE2 4.27Å; F267-Y298 AromaticContact CD1-CD2 3.47Å; F267-Y298 HydrophobicContact CD1-CD2 3.47Å; F267-Y298 VanDerWaalsContact CD1-CD2 3.47Å; F267-Y298 AromaticContact CD1-CE2 3.15Å; F267-Y298 HydrophobicContact CD1-CE2 3.15Å; F267-Y298 AromaticContact CE1-CD2 3.55Å; F267-Y298 HydrophobicContact CE1-CD2 3.55Å; F267-Y298 AromaticContact CE1-CE2 3.56Å; F267-Y298 HydrophobicContact CE1-CE2 3.56Å; F267-Y298 HydrophobicContact CG-CD2 4.5Å; F267-Y298 AromaticContact CG-CE2 3.79Å; F267-Y298 HydrophobicContact CG-CE2 3.79Å; F267-Y298 HydrophobicContact CZ-CE2 4.45Å
268L91.9Very high84.4Confident1 Ų143 Ų431%0.00526%0.262CS..Hα-helixtrans-73.1-29.9-178.9-65.3179.6000112.3E264 V265 V270 L271 E272 R303 F304 I307E264-L268 HydrophobicContact CG-CD1 3.77Å; E264-L268 HydrophobicContact CG-CG 4.37Å; E264-L268 WeakPolarHBondContact O-CB 3.37Å; E264-L268 VanDerWaalsContact O-CG 3.24Å; E264-L268 WeakPolarHBondContact O-CG 3.11Å; E264-L268 PolarHBondContact O-N 2.91Å; V265-L268 PolarHBondContact O-N 3.48Å; L268-V270 VanDerWaalsContact C-N 3.34Å; L268-L271 HydrophobicContact CD2-CD2 3.95Å; L268-L271 PolarHBondContact O-N 2.88Å; L268-E272 VanDerWaalsContact O-CB 3.27Å; L268-E272 WeakPolarHBondContact O-CB 3.23Å; L268-E272 PolarHBondContact O-N 2.82Å; L268-R303 HydrophobicContact CD1-CB 3.97Å; L268-R303 HydrophobicContact CD1-CG 4.25Å; L268-F304 HydrophobicContact CD1-CB 4.22Å; L268-F304 HydrophobicContact CD2-CB 3.89Å; L268-F304 HydrophobicContact CD2-CD2 3.94Å; L268-F304 HydrophobicContact CD2-CG 4.4Å; L268-I307 HydrophobicContact CB-CD1 3.91Å; L268-I307 HydrophobicContact CD2-CD1 4.12Å; L268-I307 WeakPolarHBondContact O-CD1 3.48Å
269D81.3Confident83.5Confident48 Ų4839.6 Ų39.626%0.25723%0.233SC..Hα-helixtrans-59.3-44.7167.8-70.3-30.2000111.7Y237 V265 S273 R303Y237-D269 HydrophobicContact CE1-CB 4.49Å; Y237-D269 PolarHBondContact OH-O 3.23Å; V265-D269 PolarHBondContact O-N 2.93Å; D269-S273 WeakPolarHBondContact O-CB 3.14Å; D269-S273 PolarHBondContact O-N 2.93Å; D269-S273 VanDerWaalsContact O-N 3.11Å; D269-S273 PolarHBondContact O-OG 2.81Å; D269-R303 IonicContact OD1-CZ 2.87Å; D269-R303 IonicContact OD1-NH1 2.77Å; D269-R303 PolarHBondContact OD1-NH1 2.89Å; D269-R303 IonicContact OD1-NH2 2.68Å; D269-R303 PolarHBondContact OD1-NH2 2.94Å
270V87Confident81.9Confident0 Ų040.4 Ų40.40%025%0.25CC..Hα-helixtrans-70.7-39.3179.1171.40000111.2Y237 V242 L246 Y249 E266 F267 L268 S273 F274Y237-V270 HydrophobicContact CD1-CG2 3.74Å; Y237-V270 HydrophobicContact CD2-CG2 3.7Å; Y237-V270 HydrophobicContact CE1-CG2 3.94Å; Y237-V270 HydrophobicContact CE2-CG2 3.91Å; Y237-V270 HydrophobicContact CG-CG2 3.61Å; V242-V270 HydrophobicContact CG1-CG1 3.88Å; V242-V270 WeakPolarHBondContact CG1-O 3.49Å; L246-V270 HydrophobicContact CB-CG1 3.91Å; L246-V270 HydrophobicContact CD1-CG1 4.15Å; Y249-V270 HydrophobicContact CD2-CG1 4.38Å; Y249-V270 HydrophobicContact CD2-CG2 4.36Å; Y249-V270 HydrophobicContact CE2-CG2 3.86Å; E266-V270 WeakPolarHBondContact O-CG2 3.49Å; E266-V270 PolarHBondContact O-N 3Å; F267-V270 PolarHBondContact O-N 2.76Å; L268-V270 VanDerWaalsContact C-N 3.34Å; V270-S273 PolarHBondContact O-N 3Å; V270-F274 VanDerWaalsContact O-CB 3.32Å; V270-F274 WeakPolarHBondContact O-CB 3.48Å; V270-F274 PolarHBondContact O-N 3.11Å
271L92.3Very high80.2Confident0 Ų042.8 Ų42.80%027%0.266CS..Hα-helixtrans-67.6-44.8176.8-175.666.8000112L246 F267 L268 S273 F274 C275 L291 A294 F304 I307L246-L271 HydrophobicContact CD1-CB 4.19Å; L246-L271 HydrophobicContact CD1-CD1 4.02Å; L246-L271 HydrophobicContact CD2-CD1 3.88Å; F267-L271 HydrophobicContact CE1-CD2 4.13Å; F267-L271 WeakPolarHBondContact O-CB 3.39Å; F267-L271 PolarHBondContact O-N 2.86Å; L268-L271 HydrophobicContact CD2-CD2 3.95Å; L268-L271 PolarHBondContact O-N 2.88Å; L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 2.79Å; L271-F274 PolarHBondContact O-N 2.92Å; L271-F274 VanDerWaalsContact O-N 3.16Å; L271-C275 PolarHBondContact O-N 2.68Å; L271-C275 PolarHBondContact O-SG 3.3Å; L271-L291 HydrophobicContact CD1-CD2 4.33Å; L271-L291 HydrophobicContact CD2-CD2 4.16Å; L271-L291 HydrophobicContact CG-CD2 4.33Å; L271-A294 HydrophobicContact CD1-CB 4.45Å; L271-A294 HydrophobicContact CD2-CB 3.64Å; L271-F304 HydrophobicContact CD2-CD2 3.84Å; L271-F304 HydrophobicContact CD2-CE2 3.88Å; L271-I307 HydrophobicContact CD2-CG2 4.49Å; L271-I307 HydrophobicContact CG-CG2 4.4Å
272E84.6Confident78.7Confident28 Ų2847.6 Ų47.613%0.13127%0.272CS..Hα-helixtrans-57.5-44.1174.3-171.1178.7164.800110.5L268 V276 R303 I307 R787L268-E272 VanDerWaalsContact O-CB 3.27Å; L268-E272 WeakPolarHBondContact O-CB 3.23Å; L268-E272 PolarHBondContact O-N 2.82Å; E272-V276 VanDerWaalsContact O-CG2 3.31Å; E272-V276 WeakPolarHBondContact O-CG2 3.46Å; E272-V276 PolarHBondContact O-N 2.92Å; E272-R303 IonicContact OE2-CZ 2.64Å; E272-R303 IonicContact OE2-NE 2.57Å; E272-R303 IonicContact OE2-NH2 3.17Å; E272-R303 PolarHBondContact OE2-NH2 3.04Å; E272-I307 HydrophobicContact CB-CD1 3.92Å; E272-I307 HydrophobicContact CB-CG1 4.05Å; E272-I307 HydrophobicContact CG-CG1 4.25Å; E272-R787 IonicContact OE1-CZ 3.11Å; E272-R787 IonicContact OE1-NH1 3.98Å; E272-R787 IonicContact OE1-NH2 3.97Å; E272-R787 PolarHBondContact OE1-NH2 3.24Å
273S78.2Confident77.7Confident41 Ų4147.3 Ų47.329%0.28726%0.26SS..Hα-helixtrans-66.2-35.7176.2-580000113.2Y237 D269 V270 L271 K277Y237-S273 PolarHBondContact OH-OG 2.89Å; D269-S273 WeakPolarHBondContact O-CB 3.14Å; D269-S273 PolarHBondContact O-N 2.93Å; D269-S273 VanDerWaalsContact O-N 3.11Å; D269-S273 PolarHBondContact O-OG 2.81Å; V270-S273 PolarHBondContact O-N 3Å; L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 2.79Å; S273-K277 WeakPolarHBondContact O-CB 3.21Å; S273-K277 PolarHBondContact O-N 3.24Å
274F87.1Confident76.7Confident2 Ų249.4 Ų49.41%0.00928%0.275CS..Hα-helixtrans-69.5-45.8179.3170.5-92.7000111.3V242 E243 L246 V270 L271 V276 K277 H278 F286 R290V242-F274 HydrophobicContact CB-CB 4.45Å; V242-F274 HydrophobicContact CG1-CB 3.87Å; E243-F274 HydrophobicContact CB-CE2 4.36Å; E243-F274 HydrophobicContact CG-CD2 4.35Å; E243-F274 HydrophobicContact CG-CE2 4.2Å; L246-F274 HydrophobicContact CD2-CB 3.89Å; L246-F274 HydrophobicContact CD2-CD1 3.59Å; L246-F274 HydrophobicContact CD2-CD2 3.87Å; L246-F274 HydrophobicContact CD2-CE1 4.06Å; L246-F274 HydrophobicContact CD2-CE2 4.3Å; L246-F274 HydrophobicContact CD2-CG 3.49Å; L246-F274 VanDerWaalsContact CD2-CG 3.49Å; L246-F274 HydrophobicContact CD2-CZ 4.39Å; V270-F274 VanDerWaalsContact O-CB 3.32Å; V270-F274 WeakPolarHBondContact O-CB 3.48Å; V270-F274 PolarHBondContact O-N 3.11Å; L271-F274 PolarHBondContact O-N 2.92Å; L271-F274 VanDerWaalsContact O-N 3.16Å; F274-V276 PolarHBondContact O-N 3.31Å; F274-K277 PolarHBondContact O-N 2.91Å; F274-H278 AromaticContact CD2-CD2 3.5Å; F274-H278 AromaticContact CD2-NE2 3.72Å; F274-H278 AromaticContact CE2-CD2 3.27Å; F274-H278 WeakPolarHBondContact CE2-CD2 3.46Å; F274-H278 AromaticContact CE2-NE2 3.43Å; F274-H278 WeakPolarHBondContact CE2-NE2 3.2Å; F274-H278 AromaticContact CZ-CD2 3.68Å; F274-H278 PolarHBondContact O-CD2 2.92Å; F274-H278 PolarHBondContact O-N 3Å; F274-F286 HydrophobicContact CE2-CD1 4.46Å; F274-F286 AromaticContact CE2-CE1 3.72Å; F274-F286 HydrophobicContact CE2-CE1 3.72Å; F274-F286 HydrophobicContact CE2-CZ 4.25Å; F274-F286 AromaticContact CZ-CD1 3.79Å; F274-F286 HydrophobicContact CZ-CD1 3.79Å; F274-F286 AromaticContact CZ-CE1 3.45Å; F274-F286 HydrophobicContact CZ-CE1 3.45Å; F274-F286 VanDerWaalsContact CZ-CE1 3.45Å; F274-F286 HydrophobicContact CZ-CZ 4.06Å; F274-R290 HydrophobicContact CD1-CB 4.37Å; F274-R290 HydrophobicContact CE1-CB 3.74Å; F274-R290 HydrophobicContact CE1-CG 3.59Å; F274-R290 HydrophobicContact CZ-CB 4.32Å; F274-R290 HydrophobicContact CZ-CG 3.64Å
275C81.7Confident76.1Confident2 Ų250 Ų501%0.01429%0.286CS..Hα-helixtrans-55.5-53.7173.7-62.40000109.9L271 K277 H278 E279 V287L271-C275 PolarHBondContact O-N 2.68Å; L271-C275 PolarHBondContact O-SG 3.3Å; C275-K277 PolarHBondContact O-N 2.77Å; C275-K277 VanDerWaalsContact O-N 3.13Å; C275-H278 PolarHBondContact O-N 2.92Å; C275-H278 VanDerWaalsContact O-N 3.11Å; C275-E279 VanDerWaalsContact C-CD 3.46Å; C275-E279 WeakPolarHBondContact O-CB 3.4Å; C275-E279 VanDerWaalsContact O-CD 3.22Å; C275-E279 WeakPolarHBondContact O-CG 3.37Å; C275-E279 PolarHBondContact O-N 2.81Å; C275-E279 VanDerWaalsContact O-OE2 3.09Å; C275-V287 HydrophobicContact CB-CG1 4.02Å
276V71.6Confident76Confident79 Ų7948.1 Ų48.148%0.47927%0.27SS..Hα-helixtrans-59.2-28.8-178.9171.20000113.1E272 F274 E279E272-V276 VanDerWaalsContact O-CG2 3.31Å; E272-V276 WeakPolarHBondContact O-CG2 3.46Å; E272-V276 PolarHBondContact O-N 2.92Å; F274-V276 PolarHBondContact O-N 3.31Å; V276-E279 WeakPolarHBondContact CA-OE2 3.11Å; V276-E279 PolarHBondContact N-OE2 3.02Å
277K71.6Confident75.9Confident46 Ų4645 Ų4520%0.226%0.256CS..Hα-helixtrans-76.1-34.8177.5-174.3173.6-178.6179.30113.7G240 V242 E243 S273 F274 C275 N761 E763G240-K277 PolarHBondContact O-NZ 2.9Å; V242-K277 HydrophobicContact CG2-CD 3.88Å; E243-K277 WeakPolarHBondContact OE1-CE 3.32Å; E243-K277 IonicContact OE1-NZ 3.99Å; E243-K277 PolarHBondContact OE1-NZ 3.21Å; E243-K277 IonicContact OE2-NZ 2.62Å; E243-K277 PolarHBondContact OE2-NZ 3.29Å; S273-K277 WeakPolarHBondContact O-CB 3.21Å; S273-K277 PolarHBondContact O-N 3.24Å; F274-K277 PolarHBondContact O-N 2.91Å; C275-K277 PolarHBondContact O-N 2.77Å; C275-K277 VanDerWaalsContact O-N 3.13Å; K277-N761 WeakPolarHBondContact CE-ND2 3.28Å; K277-E763 VanDerWaalsContact CE-OE1 3.31Å; K277-E763 WeakPolarHBondContact CE-OE1 3.31Å; K277-E763 IonicContact NZ-OE1 2.84Å; K277-E763 PolarHBondContact NZ-OE1 2.68Å; K277-E763 IonicContact NZ-OE2 3.57Å; K277-E763 PolarHBondContact NZ-OE2 3.18Å
278H71.9Confident75.7Confident28 Ų2848.3 Ų48.313%0.1327%0.271CS..Hα-helixtrans-103.1-14.5-174.8-66.5-66.4000114.6E243 F274 C275 S280 S281 V287E243-H278 VanDerWaalsContact CG-NE2 3.25Å; E243-H278 WeakPolarHBondContact CG-NE2 3.35Å; E243-H278 IonicContact OE1-CE1 2.71Å; E243-H278 IonicContact OE1-NE2 3.43Å; F274-H278 AromaticContact CD2-CD2 3.5Å; F274-H278 AromaticContact CD2-NE2 3.72Å; F274-H278 AromaticContact CE2-CD2 3.27Å; F274-H278 WeakPolarHBondContact CE2-CD2 3.46Å; F274-H278 AromaticContact CE2-NE2 3.43Å; F274-H278 WeakPolarHBondContact CE2-NE2 3.2Å; F274-H278 AromaticContact CZ-CD2 3.68Å; F274-H278 PolarHBondContact O-CD2 2.92Å; F274-H278 PolarHBondContact O-N 3Å; C275-H278 PolarHBondContact O-N 2.92Å; C275-H278 VanDerWaalsContact O-N 3.11Å; H278-S280 PolarHBondContact O-N 3.27Å; H278-S280 VanDerWaalsContact O-N 3.14Å; H278-S281 PolarHBondContact O-N 2.83Å; H278-S281 VanDerWaalsContact O-N 3.09Å; H278-S281 PolarHBondContact O-OG 3Å; H278-V287 HydrophobicContact CB-CG2 3.79Å
279E63.9Low75.4Confident46 Ų4652.2 Ų52.222%0.21529%0.292CS..THydrogen-bonded Turntrans-64.5-14.4177.2-76.5161.6150.200113.9C275 V276 V287 H311 R314C275-E279 VanDerWaalsContact C-CD 3.46Å; C275-E279 WeakPolarHBondContact O-CB 3.4Å; C275-E279 VanDerWaalsContact O-CD 3.22Å; C275-E279 WeakPolarHBondContact O-CG 3.37Å; C275-E279 PolarHBondContact O-N 2.81Å; C275-E279 VanDerWaalsContact O-OE2 3.09Å; V276-E279 WeakPolarHBondContact CA-OE2 3.11Å; V276-E279 PolarHBondContact N-OE2 3.02Å; E279-V287 HydrophobicContact CG-CG2 4.41Å; E279-H311 WeakPolarHBondContact OE1-CA 3.23Å; E279-H311 IonicContact OE1-CE1 2.76Å; E279-H311 IonicContact OE1-CG 3.4Å; E279-H311 IonicContact OE1-ND1 3.24Å; E279-H311 PolarHBondContact OE1-ND1 2.95Å; E279-R314 WeakPolarHBondContact OE1-CD 3.49Å; E279-R314 IonicContact OE1-CZ 3.38Å; E279-R314 IonicContact OE1-NH1 3.2Å; E279-R314 PolarHBondContact OE1-NH1 2.68Å; E279-R314 WeakPolarHBondContact OE2-CD 3.29Å; E279-R314 IonicContact OE2-CZ 3.05Å; E279-R314 IonicContact OE2-NE 3.18Å; E279-R314 PolarHBondContact OE2-NE 2.79Å; E279-R314 IonicContact OE2-NH1 3.72Å; E279-R314 PolarHBondContact OE2-NH1 2.91Å
280S51Low75.9Confident105 Ų10551.6 Ų51.673%0.73429%0.286SS*.THydrogen-bonded Turntrans-86.7-7.1173.356.70000114.9H278H278-S280 PolarHBondContact O-N 3.27Å; H278-S280 VanDerWaalsContact O-N 3.14Å
281S52.3Low76.2Confident65 Ų6551.8 Ų51.846%0.45529%0.287SS..THydrogen-bonded Turntrans-111.728.5-171.170.70000113.8H278 N283H278-S281 PolarHBondContact O-N 2.83Å; H278-S281 VanDerWaalsContact O-N 3.09Å; H278-S281 PolarHBondContact O-OG 3Å; S281-N283 PolarHBondContact O-N 2.81Å
282E53.5Low76.2Confident192 Ų19254.8 Ų54.890%0.89730%0.303SS*.THydrogen-bonded Turntrans53.6-4.3-175.7-59.4-161.114200117.1S284E282-S284 PolarHBondContact O-N 3.14Å
283N65.5Low76.5Confident73 Ų7355.4 Ų55.439%0.3931%0.307SS..  trans-83.453.3-167.1-155.7-13.4000112.4S281 S285 F286 V287S281-N283 PolarHBondContact O-N 2.81Å; N283-S285 PolarHBondContact O-N 2.71Å; N283-F286 HydrophobicContact CB-CB 4.38Å; N283-F286 WeakPolarHBondContact O-CB 3.2Å; N283-F286 PolarHBondContact O-N 3.42Å; N283-F286 VanDerWaalsContact O-N 3.09Å; N283-F286 WeakPolarHBondContact OD1-CB 3.29Å; N283-V287 PolarHBondContact O-N 3.5Å
284S70.9Confident77.3Confident53 Ų5353.5 Ų53.537%0.37129%0.293SS..Hα-helixtrans-61.3-29.5-171.9-168.10000113.6E282 V287 Q288 T315E282-S284 PolarHBondContact O-N 3.14Å; S284-V287 PolarHBondContact O-N 3.04Å; S284-Q288 WeakPolarHBondContact O-CB 3.41Å; S284-Q288 PolarHBondContact O-N 3.46Å; S284-T315 WeakPolarHBondContact OG-CG2 3.22Å
285S77.9Confident77.6Confident76 Ų7658.9 Ų58.953%0.53132%0.316SS..Hα-helixtrans-63.3-45.1173.840.50000111.9N283 V287 Q288 D289N283-S285 PolarHBondContact O-N 2.71Å; S285-V287 PolarHBondContact O-N 2.93Å; S285-Q288 PolarHBondContact O-N 3.45Å; S285-Q288 VanDerWaalsContact O-N 3.08Å; S285-D289 VanDerWaalsContact O-CG 3.27Å; S285-D289 PolarHBondContact O-N 3.16Å
286F81.1Confident78Confident59 Ų5961.4 Ų61.426%0.25934%0.338SS..Hα-helixtrans-63.1-30.7-179.6-176.7-113.2000112.7F274 N283 R290F274-F286 HydrophobicContact CE2-CD1 4.46Å; F274-F286 AromaticContact CE2-CE1 3.72Å; F274-F286 HydrophobicContact CE2-CE1 3.72Å; F274-F286 HydrophobicContact CE2-CZ 4.25Å; F274-F286 AromaticContact CZ-CD1 3.79Å; F274-F286 HydrophobicContact CZ-CD1 3.79Å; F274-F286 AromaticContact CZ-CE1 3.45Å; F274-F286 HydrophobicContact CZ-CE1 3.45Å; F274-F286 VanDerWaalsContact CZ-CE1 3.45Å; F274-F286 HydrophobicContact CZ-CZ 4.06Å; N283-F286 HydrophobicContact CB-CB 4.38Å; N283-F286 WeakPolarHBondContact O-CB 3.2Å; N283-F286 PolarHBondContact O-N 3.42Å; N283-F286 VanDerWaalsContact O-N 3.09Å; N283-F286 WeakPolarHBondContact OD1-CB 3.29Å; F286-R290 WeakPolarHBondContact O-CG 3.39Å
287V85.5Confident79Confident1 Ų158.9 Ų58.91%0.00632%0.32CS..Hα-helixtrans-73.2-47.3171.6-176.50000110.9C275 H278 E279 N283 S284 S285 D289 R290 L291 H311C275-V287 HydrophobicContact CB-CG1 4.02Å; H278-V287 HydrophobicContact CB-CG2 3.79Å; E279-V287 HydrophobicContact CG-CG2 4.41Å; N283-V287 PolarHBondContact O-N 3.5Å; S284-V287 PolarHBondContact O-N 3.04Å; S285-V287 PolarHBondContact O-N 2.93Å; V287-D289 PolarHBondContact O-N 2.97Å; V287-R290 PolarHBondContact O-N 3.37Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 HydrophobicContact CG1-CG 4.48Å; V287-L291 WeakPolarHBondContact O-CG 3.36Å; V287-L291 PolarHBondContact O-N 3.4Å; V287-H311 VanDerWaalsContact CG1-CE1 3.42Å; V287-H311 WeakPolarHBondContact CG1-CE1 3.38Å
288Q88Confident80.1Confident69 Ų6957 Ų5732%0.32231%0.311SS..Hα-helixtrans-59.4-41.9179.4-175.458.143.900112.6S284 S285 R290 L291 D292S284-Q288 WeakPolarHBondContact O-CB 3.41Å; S284-Q288 PolarHBondContact O-N 3.46Å; S285-Q288 PolarHBondContact O-N 3.45Å; S285-Q288 VanDerWaalsContact O-N 3.08Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 3.28Å; Q288-L291 WeakPolarHBondContact O-CB 3.4Å; Q288-L291 PolarHBondContact O-N 3.49Å; Q288-L291 VanDerWaalsContact O-N 3.14Å; Q288-D292 PolarHBondContact NE2-OD2 2.98Å; Q288-D292 PolarHBondContact O-N 2.8Å
289D86.7Confident81Confident84 Ų8456.7 Ų56.745%0.44932%0.316SS..Hα-helixtrans-58-43.2177.8-69.9-36.6000111.7S285 V287 D292 M293S285-D289 VanDerWaalsContact O-CG 3.27Å; S285-D289 PolarHBondContact O-N 3.16Å; V287-D289 PolarHBondContact O-N 2.97Å; D289-D292 PolarHBondContact O-N 2.8Å; D289-M293 HydrophobicContact CB-CE 4.11Å; D289-M293 VanDerWaalsContact O-CG 3.29Å; D289-M293 WeakPolarHBondContact O-CG 3.26Å; D289-M293 PolarHBondContact O-N 3.16Å
290R91.6Very high82.1Confident34 Ų3459 Ų5913%0.12834%0.337CS..Hα-helixtrans-74.6-29.7178-55.9-56.5173.2-164.9-11.2112.4L246 F274 F286 V287 Q288 M293 A294 D1015L246-R290 HydrophobicContact CD2-CB 4Å; L246-R290 HydrophobicContact CD2-CG 4.25Å; F274-R290 HydrophobicContact CD1-CB 4.37Å; F274-R290 HydrophobicContact CE1-CB 3.74Å; F274-R290 HydrophobicContact CE1-CG 3.59Å; F274-R290 HydrophobicContact CZ-CB 4.32Å; F274-R290 HydrophobicContact CZ-CG 3.64Å; F286-R290 WeakPolarHBondContact O-CG 3.39Å; V287-R290 PolarHBondContact O-N 3.37Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 3.28Å; R290-M293 PolarHBondContact NH1-SD 2.9Å; R290-M293 VanDerWaalsContact NH1-SD 3.4Å; R290-A294 VanDerWaalsContact O-CB 3.32Å; R290-A294 WeakPolarHBondContact O-CB 3.45Å; R290-A294 PolarHBondContact O-N 3.48Å; R290-D1015 IonicContact CZ-OD1 3.8Å; R290-D1015 IonicContact CZ-OD2 2.7Å; R290-D1015 IonicContact NH1-OD1 2.86Å; R290-D1015 IonicContact NH1-OD2 2.78Å; R290-D1015 PolarHBondContact NH1-OD2 2.87Å; R290-D1015 VanDerWaalsContact NH2-CG 3.31Å; R290-D1015 IonicContact NH2-OD1 3.34Å; R290-D1015 PolarHBondContact NH2-OD1 2.89Å; R290-D1015 IonicContact NH2-OD2 3.74Å; R290-D1015 PolarHBondContact NH2-OD2 2.87Å
291L93.1Very high84.2Confident4 Ų454.7 Ų54.72%0.02131%0.307CS..Hα-helixtrans-64.6-45.3169.9-70.7174.8000111.6L271 V287 Q288 A294 K295 F304 I307 H311L271-L291 HydrophobicContact CD1-CD2 4.33Å; L271-L291 HydrophobicContact CD2-CD2 4.16Å; L271-L291 HydrophobicContact CG-CD2 4.33Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 HydrophobicContact CG1-CG 4.48Å; V287-L291 WeakPolarHBondContact O-CG 3.36Å; V287-L291 PolarHBondContact O-N 3.4Å; Q288-L291 WeakPolarHBondContact O-CB 3.4Å; Q288-L291 PolarHBondContact O-N 3.49Å; Q288-L291 VanDerWaalsContact O-N 3.14Å; L291-A294 WeakPolarHBondContact O-CB 3.03Å; L291-A294 PolarHBondContact O-N 3.16Å; L291-K295 WeakPolarHBondContact O-CB 3.31Å; L291-K295 PolarHBondContact O-N 3.21Å; L291-F304 HydrophobicContact CD2-CE2 4.25Å; L291-F304 WeakPolarHBondContact O-CZ 3.49Å; L291-I307 HydrophobicContact CD2-CG2 4.1Å; L291-H311 HydrophobicContact CD1-CB 3.85Å; L291-H311 VanDerWaalsContact CD1-CD2 3.47Å; L291-H311 WeakPolarHBondContact CD1-CD2 3.44Å
292D91.7Very high86.1Confident64 Ų6453.3 Ų53.334%0.34230%0.296SS..Hα-helixtrans-69.7-31.8177.4-82.3-50.7000112.8Q288 D289 K295Q288-D292 PolarHBondContact NE2-OD2 2.98Å; Q288-D292 PolarHBondContact O-N 2.8Å; D289-D292 PolarHBondContact O-N 2.8Å; D292-K295 WeakPolarHBondContact O-CB 3.43Å; D292-K295 WeakPolarHBondContact OD1-CD 3.36Å; D292-K295 WeakPolarHBondContact OD1-CE 3.49Å; D292-K295 IonicContact OD1-NZ 2.69Å; D292-K295 PolarHBondContact OD1-NZ 2.94Å
293M91.8Very high87.8Confident41 Ų4147.7 Ų47.720%0.20227%0.266CS..Hα-helixtrans-63.1-42.2167.3-70.2172.9-143.800112.2L250 D289 R290 Y297L250-M293 HydrophobicContact CD1-CB 4.37Å; L250-M293 HydrophobicContact CD1-SD 4.12Å; L250-M293 HydrophobicContact CD2-CB 4.02Å; D289-M293 HydrophobicContact CB-CE 4.11Å; D289-M293 VanDerWaalsContact O-CG 3.29Å; D289-M293 WeakPolarHBondContact O-CG 3.26Å; D289-M293 PolarHBondContact O-N 3.16Å; R290-M293 PolarHBondContact NH1-SD 2.9Å; R290-M293 VanDerWaalsContact NH1-SD 3.4Å; M293-Y297 VanDerWaalsContact O-CD2 3.28Å; M293-Y297 WeakPolarHBondContact O-CD2 3.04Å; M293-Y297 VanDerWaalsContact O-CE2 3.28Å; M293-Y297 WeakPolarHBondContact O-CE2 3.48Å
294A94Very high89.3Confident0 Ų044.4 Ų44.40%025%0.249CC..Hα-helixtrans-68.2-36.517800000113.1F267 L271 R290 L291 A296 Y297 Y298 F304F267-A294 HydrophobicContact CE1-CB 3.66Å; F267-A294 HydrophobicContact CZ-CB 3.83Å; L271-A294 HydrophobicContact CD1-CB 4.45Å; L271-A294 HydrophobicContact CD2-CB 3.64Å; R290-A294 VanDerWaalsContact O-CB 3.32Å; R290-A294 WeakPolarHBondContact O-CB 3.45Å; R290-A294 PolarHBondContact O-N 3.48Å; L291-A294 WeakPolarHBondContact O-CB 3.03Å; L291-A294 PolarHBondContact O-N 3.16Å; A294-A296 PolarHBondContact O-N 3.38Å; A294-Y297 PolarHBondContact O-N 3.44Å; A294-Y298 PolarHBondContact O-N 2.88Å; A294-F304 HydrophobicContact CB-CD2 4.18Å; A294-F304 HydrophobicContact CB-CE2 3.55Å; A294-F304 HydrophobicContact CB-CZ 4.32Å
295K94.4Very high90.4Very high115 Ų11542 Ų4250%0.523%0.231SC..Hα-helixtrans-56-33.5178.5-172.6-176.7-175-176.30113.2L291 D292 Y297 G299 F304L291-K295 WeakPolarHBondContact O-CB 3.31Å; L291-K295 PolarHBondContact O-N 3.21Å; D292-K295 WeakPolarHBondContact O-CB 3.43Å; D292-K295 WeakPolarHBondContact OD1-CD 3.36Å; D292-K295 WeakPolarHBondContact OD1-CE 3.49Å; D292-K295 IonicContact OD1-NZ 2.69Å; D292-K295 PolarHBondContact OD1-NZ 2.94Å; K295-Y297 PolarHBondContact O-N 3.06Å; K295-G299 VanDerWaalsContact O-CA 3.31Å; K295-G299 WeakPolarHBondContact O-CA 3.47Å; K295-G299 PolarHBondContact O-N 2.89Å; K295-F304 HydrophobicContact CB-CE1 3.88Å; K295-F304 HydrophobicContact CB-CZ 3.68Å; K295-F304 HydrophobicContact CG-CE1 4.11Å; K295-F304 HydrophobicContact CG-CZ 4.35Å
296A89.7Confident91Very high56 Ų5638.6 Ų38.646%0.46321%0.207SC..Hα-helixtrans-63.6-23.8176.400000113.5A294 Y1011A294-A296 PolarHBondContact O-N 3.38Å; A296-Y1011 HydrophobicContact CB-CD1 4.21Å; A296-Y1011 HydrophobicContact CB-CE1 3.73Å; A296-Y1011 PolarHBondContact O-OH 3.48Å
297Y93Very high91.4Very high26 Ų2636 Ų3610%0.10220%0.196CC..Hα-helixtrans-104.9-33.9176.8-50.2-84.1000112.9L250 L253 R254 M293 A294 K295 Y1011L250-Y297 HydrophobicContact CD2-CE2 4.38Å; L253-Y297 VanDerWaalsContact C-CE1 3.5Å; L253-Y297 HydrophobicContact CB-CD1 3.86Å; L253-Y297 HydrophobicContact CB-CD2 4.29Å; L253-Y297 HydrophobicContact CB-CE1 3.54Å; L253-Y297 HydrophobicContact CB-CE2 4.03Å; L253-Y297 HydrophobicContact CB-CG 4.22Å; L253-Y297 HydrophobicContact CD1-CD2 4.24Å; L253-Y297 HydrophobicContact CD1-CG 4.31Å; L253-Y297 WeakPolarHBondContact O-CE1 3.18Å; R254-Y297 WeakPolarHBondContact CA-OH 3.33Å; R254-Y297 PolarHBondContact N-OH 3.17Å; M293-Y297 VanDerWaalsContact O-CD2 3.28Å; M293-Y297 WeakPolarHBondContact O-CD2 3.04Å; M293-Y297 VanDerWaalsContact O-CE2 3.28Å; M293-Y297 WeakPolarHBondContact O-CE2 3.48Å; A294-Y297 PolarHBondContact O-N 3.44Å; K295-Y297 PolarHBondContact O-N 3.06Å; Y297-Y1011 HydrophobicContact CD1-CD1 4.45Å; Y297-Y1011 AromaticContact CD1-CE1 3.55Å; Y297-Y1011 HydrophobicContact CD1-CE1 3.55Å; Y297-Y1011 AromaticContact CD1-CZ 3.7Å; Y297-Y1011 WeakPolarHBondContact CD1-OH 3.34Å; Y297-Y1011 HydrophobicContact CD2-CE1 4.37Å; Y297-Y1011 AromaticContact CE1-CD1 3.57Å; Y297-Y1011 HydrophobicContact CE1-CD1 3.57Å; Y297-Y1011 AromaticContact CE1-CE1 3.07Å; Y297-Y1011 HydrophobicContact CE1-CE1 3.07Å; Y297-Y1011 HydrophobicContact CE1-CE2 4.18Å; Y297-Y1011 HydrophobicContact CE1-CG 4.27Å; Y297-Y1011 AromaticContact CE1-CZ 3.42Å; Y297-Y1011 VanDerWaalsContact CE1-CZ 3.42Å; Y297-Y1011 HydrophobicContact CE2-CD1 4.2Å; Y297-Y1011 AromaticContact CE2-CE1 3.99Å; Y297-Y1011 HydrophobicContact CE2-CE1 3.99Å; Y297-Y1011 HydrophobicContact CG-CE1 4.18Å; Y297-Y1011 AromaticContact CZ-CD1 3.41Å; Y297-Y1011 VanDerWaalsContact CZ-CD1 3.41Å; Y297-Y1011 AromaticContact CZ-CE1 3.32Å; Y297-Y1011 WeakPolarHBondContact OH-CD1 3.49Å
298Y95.6Very high91.8Very high6 Ų636.8 Ų36.82%0.02420%0.202CC..Hα-helixtrans-128.213.7-167.1-57.7-68.7000114.9L253 A260 E264 F267 A294 S300 S301 F304L253-Y298 HydrophobicContact CD1-CE2 3.79Å; A260-Y298 WeakPolarHBondContact CA-OH 3.43Å; A260-Y298 HydrophobicContact CB-CE1 4.11Å; A260-Y298 WeakPolarHBondContact O-CE1 3.47Å; A260-Y298 PolarHBondContact O-OH 3.05Å; E264-Y298 HydrophobicContact CB-CD1 4.23Å; E264-Y298 HydrophobicContact CB-CE1 3.58Å; E264-Y298 HydrophobicContact CG-CD1 3.75Å; E264-Y298 HydrophobicContact CG-CE1 3.63Å; F267-Y298 HydrophobicContact CB-CE2 4.27Å; F267-Y298 AromaticContact CD1-CD2 3.47Å; F267-Y298 HydrophobicContact CD1-CD2 3.47Å; F267-Y298 VanDerWaalsContact CD1-CD2 3.47Å; F267-Y298 AromaticContact CD1-CE2 3.15Å; F267-Y298 HydrophobicContact CD1-CE2 3.15Å; F267-Y298 AromaticContact CE1-CD2 3.55Å; F267-Y298 HydrophobicContact CE1-CD2 3.55Å; F267-Y298 AromaticContact CE1-CE2 3.56Å; F267-Y298 HydrophobicContact CE1-CE2 3.56Å; F267-Y298 HydrophobicContact CG-CD2 4.5Å; F267-Y298 AromaticContact CG-CE2 3.79Å; F267-Y298 HydrophobicContact CG-CE2 3.79Å; F267-Y298 HydrophobicContact CZ-CE2 4.45Å; A294-Y298 PolarHBondContact O-N 2.88Å; Y298-S300 PolarHBondContact O-N 2.78Å; Y298-S301 WeakPolarHBondContact O-CB 3.37Å; Y298-S301 PolarHBondContact O-N 3.36Å; Y298-F304 WeakPolarHBondContact O-CB 3.39Å; Y298-F304 WeakPolarHBondContact O-CD1 3.49Å; Y298-F304 WeakPolarHBondContact O-CG 3.19Å
299G89.2Confident91.9Very high22 Ų2233.5 Ų33.523%0.22719%0.186CC..THydrogen-bonded Turntrans-59.5-9.9-176.500000117.2K295 K327K295-G299 VanDerWaalsContact O-CA 3.31Å; K295-G299 WeakPolarHBondContact O-CA 3.47Å; K295-G299 PolarHBondContact O-N 2.89Å; G299-K327 PolarHBondContact O-NZ 3.36Å
300S88.4Confident91.9Very high94 Ų9431 Ų3166%0.65717%0.172SC*.THydrogen-bonded Turntrans-107.2-6.3173.454.10000114.2Y298Y298-S300 PolarHBondContact O-N 2.78Å
301S94Very high91.6Very high14 Ų1429.6 Ų29.610%0.09817%0.167CC..  trans-73.3128176.6175.40000110.7E264 Y298 R303 F304 I305E264-S301 WeakPolarHBondContact OE1-CB 3.17Å; E264-S301 PolarHBondContact OE1-OG 3.46Å; Y298-S301 WeakPolarHBondContact O-CB 3.37Å; Y298-S301 PolarHBondContact O-N 3.36Å; S301-R303 PolarHBondContact O-N 2.8Å; S301-R303 PolarHBondContact OG-N 2.94Å; S301-F304 PolarHBondContact O-N 3.04Å; S301-I305 WeakPolarHBondContact O-CD1 3.13Å; S301-I305 VanDerWaalsContact O-CG1 3.28Å; S301-I305 WeakPolarHBondContact O-CG1 3.48Å; S301-I305 PolarHBondContact O-N 3.48Å
302V92.2Very high91.4Very high36 Ų3630.7 Ų30.722%0.21817%0.172CC..Hα-helixtrans-55-40.1176.6176.90000110.9I305 I306 A328 L331 D332V302-I305 PolarHBondContact O-N 2.95Å; V302-I306 HydrophobicContact CG1-CD1 3.98Å; V302-I306 WeakPolarHBondContact O-CD1 3.39Å; V302-I306 VanDerWaalsContact O-CG1 3.29Å; V302-I306 WeakPolarHBondContact O-CG1 3.47Å; V302-I306 PolarHBondContact O-N 3.37Å; V302-A328 HydrophobicContact CG1-CB 4.15Å; V302-L331 HydrophobicContact CG2-CB 3.73Å; V302-D332 HydrophobicContact CG2-CB 4.25Å
303R90.2Very high90.8Very high74 Ų7429.8 Ų29.828%0.27917%0.167SC..Hα-helixtrans-72.9-38.4-179.8-172.3173-178.8-158.6-3.9112.4L268 D269 E272 S301 I305 I306 I307L268-R303 HydrophobicContact CD1-CB 3.97Å; L268-R303 HydrophobicContact CD1-CG 4.25Å; D269-R303 IonicContact OD1-CZ 2.87Å; D269-R303 IonicContact OD1-NH1 2.77Å; D269-R303 PolarHBondContact OD1-NH1 2.89Å; D269-R303 IonicContact OD1-NH2 2.68Å; D269-R303 PolarHBondContact OD1-NH2 2.94Å; E272-R303 IonicContact OE2-CZ 2.64Å; E272-R303 IonicContact OE2-NE 2.57Å; E272-R303 IonicContact OE2-NH2 3.17Å; E272-R303 PolarHBondContact OE2-NH2 3.04Å; S301-R303 PolarHBondContact O-N 2.8Å; S301-R303 PolarHBondContact OG-N 2.94Å; R303-I305 VanDerWaalsContact C-N 3.33Å; R303-I305 PolarHBondContact O-N 3.34Å; R303-I306 PolarHBondContact O-N 3.33Å; R303-I307 HydrophobicContact CG-CD1 4.29Å; R303-I307 WeakPolarHBondContact O-CG1 3.23Å; R303-I307 PolarHBondContact O-N 3.3Å
304F95.4Very high90.1Very high5 Ų533.4 Ų33.42%0.02218%0.178CC..Hα-helixtrans-61.8-42.1172.9174.1-102.1000111.9L268 L271 L291 A294 K295 Y298 S301 I306 I307 C308L268-F304 HydrophobicContact CD1-CB 4.22Å; L268-F304 HydrophobicContact CD2-CB 3.89Å; L268-F304 HydrophobicContact CD2-CD2 3.94Å; L268-F304 HydrophobicContact CD2-CG 4.4Å; L271-F304 HydrophobicContact CD2-CD2 3.84Å; L271-F304 HydrophobicContact CD2-CE2 3.88Å; L291-F304 HydrophobicContact CD2-CE2 4.25Å; L291-F304 WeakPolarHBondContact O-CZ 3.49Å; A294-F304 HydrophobicContact CB-CD2 4.18Å; A294-F304 HydrophobicContact CB-CE2 3.55Å; A294-F304 HydrophobicContact CB-CZ 4.32Å; K295-F304 HydrophobicContact CB-CE1 3.88Å; K295-F304 HydrophobicContact CB-CZ 3.68Å; K295-F304 HydrophobicContact CG-CE1 4.11Å; K295-F304 HydrophobicContact CG-CZ 4.35Å; Y298-F304 WeakPolarHBondContact O-CB 3.39Å; Y298-F304 WeakPolarHBondContact O-CD1 3.49Å; Y298-F304 WeakPolarHBondContact O-CG 3.19Å; S301-F304 PolarHBondContact O-N 3.04Å; F304-I306 VanDerWaalsContact C-N 3.33Å; F304-I306 PolarHBondContact O-N 3.02Å; F304-I307 PolarHBondContact O-N 3.05Å; F304-C308 VanDerWaalsContact CE1-SG 3.5Å; F304-C308 WeakPolarHBondContact CZ-SG 3.43Å; F304-C308 PolarHBondContact O-N 3.22Å; F304-C308 PolarHBondContact O-SG 3.07Å
305I94.9Very high89.3Confident1 Ų135.6 Ų35.61%0.00519%0.192CC..Hα-helixtrans-64.3-38.5177.6-66162.4000110.9S301 V302 R303 C308 A309 Q324 K327 A328 L331S301-I305 WeakPolarHBondContact O-CD1 3.13Å; S301-I305 VanDerWaalsContact O-CG1 3.28Å; S301-I305 WeakPolarHBondContact O-CG1 3.48Å; S301-I305 PolarHBondContact O-N 3.48Å; V302-I305 PolarHBondContact O-N 2.95Å; R303-I305 VanDerWaalsContact C-N 3.33Å; R303-I305 PolarHBondContact O-N 3.34Å; I305-C308 WeakPolarHBondContact O-CB 3.43Å; I305-C308 PolarHBondContact O-N 3.4Å; I305-A309 PolarHBondContact O-N 3.06Å; I305-Q324 HydrophobicContact CG2-CB 3.91Å; I305-Q324 WeakPolarHBondContact CG2-O 3.44Å; I305-K327 HydrophobicContact CD1-CD 3.93Å; I305-K327 HydrophobicContact CD1-CG 4.22Å; I305-K327 HydrophobicContact CG1-CD 4.39Å; I305-K327 HydrophobicContact CG2-CB 4.42Å; I305-K327 HydrophobicContact CG2-CD 4.32Å; I305-A328 HydrophobicContact CB-CB 4.47Å; I305-A328 HydrophobicContact CG2-CB 3.95Å; I305-L331 HydrophobicContact CD1-CD1 3.43Å; I305-L331 VanDerWaalsContact CD1-CD1 3.43Å
306I90.6Very high88.6Confident5 Ų537.5 Ų37.53%0.02620%0.2CC..Hα-helixtrans-64.4-41.4172.6-72.8164.9000111.9V302 R303 F304 C308 A309 H310 F325 A328 E337 A338V302-I306 HydrophobicContact CG1-CD1 3.98Å; V302-I306 WeakPolarHBondContact O-CD1 3.39Å; V302-I306 VanDerWaalsContact O-CG1 3.29Å; V302-I306 WeakPolarHBondContact O-CG1 3.47Å; V302-I306 PolarHBondContact O-N 3.37Å; R303-I306 PolarHBondContact O-N 3.33Å; F304-I306 VanDerWaalsContact C-N 3.33Å; F304-I306 PolarHBondContact O-N 3.02Å; I306-C308 VanDerWaalsContact C-N 3.33Å; I306-C308 PolarHBondContact O-N 3.33Å; I306-A309 WeakPolarHBondContact O-CB 3.39Å; I306-A309 PolarHBondContact O-N 2.95Å; I306-H310 WeakPolarHBondContact CG2-CE1 3.24Å; I306-H310 PolarHBondContact O-N 3.01Å; I306-H310 PolarHBondContact O-ND1 3.24Å; I306-F325 HydrophobicContact CG1-CD1 4.47Å; I306-F325 HydrophobicContact CG1-CE1 4.48Å; I306-F325 HydrophobicContact CG2-CE1 4.47Å; I306-A328 HydrophobicContact CG1-CB 4.13Å; I306-E337 HydrophobicContact CD1-CB 4.18Å; I306-E337 HydrophobicContact CD1-CG 4.26Å; I306-E337 HydrophobicContact CG2-CG 3.94Å; I306-A338 HydrophobicContact CD1-CB 4.13Å; I306-A338 HydrophobicContact CG1-CB 4.22Å
307I90Very high88.4Confident4 Ų436.5 Ų36.52%0.02119%0.19CC..Hα-helixtrans-61.8-42.2174.8-68.3162.1000110.6L268 L271 E272 L291 R303 F304 A309 H310 H311L268-I307 HydrophobicContact CB-CD1 3.91Å; L268-I307 HydrophobicContact CD2-CD1 4.12Å; L268-I307 WeakPolarHBondContact O-CD1 3.48Å; L271-I307 HydrophobicContact CD2-CG2 4.49Å; L271-I307 HydrophobicContact CG-CG2 4.4Å; E272-I307 HydrophobicContact CB-CD1 3.92Å; E272-I307 HydrophobicContact CB-CG1 4.05Å; E272-I307 HydrophobicContact CG-CG1 4.25Å; L291-I307 HydrophobicContact CD2-CG2 4.1Å; R303-I307 HydrophobicContact CG-CD1 4.29Å; R303-I307 WeakPolarHBondContact O-CG1 3.23Å; R303-I307 PolarHBondContact O-N 3.3Å; F304-I307 PolarHBondContact O-N 3.05Å; I307-A309 VanDerWaalsContact C-N 3.35Å; I307-A309 PolarHBondContact O-N 2.92Å; I307-H310 PolarHBondContact O-N 2.97Å; I307-H311 PolarHBondContact O-N 3.11Å
308C93.3Very high88Confident19 Ų1937.6 Ų37.613%0.12819%0.194CC..Hα-helixtrans-61.9-41173.2-630000112.1F304 I305 I306 H311 L312 Q324F304-C308 VanDerWaalsContact CE1-SG 3.5Å; F304-C308 WeakPolarHBondContact CZ-SG 3.43Å; F304-C308 PolarHBondContact O-N 3.22Å; F304-C308 PolarHBondContact O-SG 3.07Å; I305-C308 WeakPolarHBondContact O-CB 3.43Å; I305-C308 PolarHBondContact O-N 3.4Å; I306-C308 VanDerWaalsContact C-N 3.33Å; I306-C308 PolarHBondContact O-N 3.33Å; C308-H311 PolarHBondContact O-N 3.37Å; C308-L312 WeakPolarHBondContact O-CD1 3.5Å; C308-L312 VanDerWaalsContact O-CG 3.29Å; C308-L312 WeakPolarHBondContact O-CG 3.37Å; C308-L312 PolarHBondContact O-N 2.69Å; C308-Q324 HydrophobicContact CB-CG 4.43Å
309A90.7Very high87.3Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-62.3-44.9175.500000111.6I305 I306 I307 H311 L312 I313 Q324 F325I305-A309 PolarHBondContact O-N 3.06Å; I306-A309 WeakPolarHBondContact O-CB 3.39Å; I306-A309 PolarHBondContact O-N 2.95Å; I307-A309 VanDerWaalsContact C-N 3.35Å; I307-A309 PolarHBondContact O-N 2.92Å; A309-H311 VanDerWaalsContact C-N 3.31Å; A309-H311 PolarHBondContact O-N 3.06Å; A309-L312 PolarHBondContact O-N 2.79Å; A309-I313 WeakPolarHBondContact O-CG1 3.46Å; A309-I313 PolarHBondContact O-N 3.26Å; A309-Q324 HydrophobicContact CB-CB 3.73Å; A309-F325 HydrophobicContact CB-CD1 3.71Å; A309-F325 HydrophobicContact CB-CD2 4.07Å; A309-F325 HydrophobicContact CB-CE1 3.41Å; A309-F325 VanDerWaalsContact CB-CE1 3.41Å; A309-F325 HydrophobicContact CB-CE2 3.8Å; A309-F325 HydrophobicContact CB-CG 4.03Å; A309-F325 HydrophobicContact CB-CZ 3.46Å; A309-F325 VanDerWaalsContact CB-CZ 3.46Å
310H85.4Confident87.2Confident32 Ų3246.4 Ų46.415%0.14823%0.232CC..Hα-helixtrans-63.3-33176.2-68.4152000113.2I306 I307 R314 F325 E337I306-H310 WeakPolarHBondContact CG2-CE1 3.24Å; I306-H310 PolarHBondContact O-N 3.01Å; I306-H310 PolarHBondContact O-ND1 3.24Å; I307-H310 PolarHBondContact O-N 2.97Å; H310-R314 WeakPolarHBondContact O-CG 3.44Å; H310-R314 PolarHBondContact O-NH1 3.44Å; H310-F325 AromaticContact CD2-CZ 3.89Å; H310-E337 IonicContact CE1-OE1 2.65Å
311H86.6Confident87.2Confident4 Ų441.9 Ų41.92%0.01920%0.201CC..Hα-helixtrans-64.7-50.6170-174.355.2000111.3E279 V287 L291 I307 C308 A309 I313 R314 T315E279-H311 WeakPolarHBondContact OE1-CA 3.23Å; E279-H311 IonicContact OE1-CE1 2.76Å; E279-H311 IonicContact OE1-CG 3.4Å; E279-H311 IonicContact OE1-ND1 3.24Å; E279-H311 PolarHBondContact OE1-ND1 2.95Å; V287-H311 VanDerWaalsContact CG1-CE1 3.42Å; V287-H311 WeakPolarHBondContact CG1-CE1 3.38Å; L291-H311 HydrophobicContact CD1-CB 3.85Å; L291-H311 VanDerWaalsContact CD1-CD2 3.47Å; L291-H311 WeakPolarHBondContact CD1-CD2 3.44Å; I307-H311 PolarHBondContact O-N 3.11Å; C308-H311 PolarHBondContact O-N 3.37Å; A309-H311 VanDerWaalsContact C-N 3.31Å; A309-H311 PolarHBondContact O-N 3.06Å; H311-I313 VanDerWaalsContact C-N 3.29Å; H311-I313 PolarHBondContact O-N 3.14Å; H311-R314 WeakPolarHBondContact O-CA 3.23Å; H311-R314 WeakPolarHBondContact O-CB 3.42Å; H311-R314 PolarHBondContact O-N 2.92Å; H311-T315 PolarHBondContact O-N 3.43Å
312L87.7Confident86.8Confident26 Ų2642 Ų4214%0.13620%0.202CC..Hα-helixtrans-61.1-31.2-178.7-70.7163.7000113.6C308 A309 R314 T315 K316 S317 L320 A321 Q324C308-L312 WeakPolarHBondContact O-CD1 3.5Å; C308-L312 VanDerWaalsContact O-CG 3.29Å; C308-L312 WeakPolarHBondContact O-CG 3.37Å; C308-L312 PolarHBondContact O-N 2.69Å; A309-L312 PolarHBondContact O-N 2.79Å; L312-R314 VanDerWaalsContact C-N 3.34Å; L312-T315 WeakPolarHBondContact CA-OG1 3.33Å; L312-T315 PolarHBondContact O-OG1 3.16Å; L312-K316 PolarHBondContact O-N 2.75Å; L312-S317 CarbonylContact O-C 3.59Å; L312-S317 WeakPolarHBondContact O-CA 3.41Å; L312-S317 WeakPolarHBondContact O-CB 3.41Å; L312-S317 PolarHBondContact O-N 3.4Å; L312-L320 HydrophobicContact CD1-CB 3.92Å; L312-L320 HydrophobicContact CD2-CB 4.05Å; L312-L320 HydrophobicContact CD2-CD1 4.24Å; L312-L320 HydrophobicContact CG-CB 4.47Å; L312-A321 HydrophobicContact CB-CB 3.78Å; L312-Q324 HydrophobicContact CD1-CG 3.73Å
313I80.6Confident86.7Confident46 Ų4644.4 Ų44.424%0.23622%0.217CC..Hα-helixtrans-61-43.8170.6-65.1168000111A309 H311 K316 Y318 A321 F325 L345A309-I313 WeakPolarHBondContact O-CG1 3.46Å; A309-I313 PolarHBondContact O-N 3.26Å; H311-I313 VanDerWaalsContact C-N 3.29Å; H311-I313 PolarHBondContact O-N 3.14Å; I313-K316 WeakPolarHBondContact O-CA 3.15Å; I313-K316 PolarHBondContact O-N 2.76Å; I313-K316 VanDerWaalsContact O-N 3.11Å; I313-Y318 HydrophobicContact CG2-CE1 4.4Å; I313-A321 HydrophobicContact CG1-CB 3.89Å; I313-F325 HydrophobicContact CD1-CE2 3.9Å; I313-F325 HydrophobicContact CD1-CZ 3.98Å; I313-L345 HydrophobicContact CG1-CD2 3.91Å; I313-L345 HydrophobicContact CG1-CG 4.46Å
314R75.9Confident86.8Confident116 Ų11643 Ų4344%0.43821%0.214SC..Hα-helixtrans-74.3-34.2-175.6-64.1167-168.7135.4-4.8111.7E279 H310 H311 L312 K316E279-R314 WeakPolarHBondContact OE1-CD 3.49Å; E279-R314 IonicContact OE1-CZ 3.38Å; E279-R314 IonicContact OE1-NH1 3.2Å; E279-R314 PolarHBondContact OE1-NH1 2.68Å; E279-R314 WeakPolarHBondContact OE2-CD 3.29Å; E279-R314 IonicContact OE2-CZ 3.05Å; E279-R314 IonicContact OE2-NE 3.18Å; E279-R314 PolarHBondContact OE2-NE 2.79Å; E279-R314 IonicContact OE2-NH1 3.72Å; E279-R314 PolarHBondContact OE2-NH1 2.91Å; H310-R314 WeakPolarHBondContact O-CG 3.44Å; H310-R314 PolarHBondContact O-NH1 3.44Å; H311-R314 WeakPolarHBondContact O-CA 3.23Å; H311-R314 WeakPolarHBondContact O-CB 3.42Å; H311-R314 PolarHBondContact O-N 2.92Å; L312-R314 VanDerWaalsContact C-N 3.34Å; R314-K316 PolarHBondContact O-N 3.19Å
315T77.2Confident86.6Confident46 Ų4642.8 Ų42.828%0.28221%0.213SC..THydrogen-bonded Turntrans-77.614.8168.169.40000113.2S284 H311 L312 S317S284-T315 WeakPolarHBondContact OG-CG2 3.22Å; H311-T315 PolarHBondContact O-N 3.43Å; L312-T315 WeakPolarHBondContact CA-OG1 3.33Å; L312-T315 PolarHBondContact O-OG1 3.16Å; T315-S317 PolarHBondContact O-N 2.94Å; T315-S317 PolarHBondContact O-OG 2.81Å; T315-S317 VanDerWaalsContact O-OG 3.05Å; T315-S317 PolarHBondContact OG1-OG 2.95Å; T315-S317 VanDerWaalsContact OG1-OG 3.08Å
316K80.9Confident86.4Confident156 Ų15645.6 Ų45.668%0.67823%0.232SC*.THydrogen-bonded Turntrans54.522.3178.7-52.1-177.7-176.6174.50114.7L312 I313 R314 Y318L312-K316 PolarHBondContact O-N 2.75Å; I313-K316 WeakPolarHBondContact O-CA 3.15Å; I313-K316 PolarHBondContact O-N 2.76Å; I313-K316 VanDerWaalsContact O-N 3.11Å; R314-K316 PolarHBondContact O-N 3.19Å; K316-Y318 VanDerWaalsContact C-N 3.32Å; K316-Y318 HydrophobicContact CB-CE2 3.94Å; K316-Y318 VanDerWaalsContact O-CD2 3.3Å; K316-Y318 WeakPolarHBondContact O-CD2 3.42Å; K316-Y318 WeakPolarHBondContact O-CE2 3.2Å; K316-Y318 PolarHBondContact O-N 2.64Å
317S84Confident86.4Confident35 Ų3549.3 Ų49.325%0.24525%0.248CC..  trans-93.858.4-176.9-56.40000110.5L312 T315 E319 L320 A321L312-S317 CarbonylContact O-C 3.59Å; L312-S317 WeakPolarHBondContact O-CA 3.41Å; L312-S317 WeakPolarHBondContact O-CB 3.41Å; L312-S317 PolarHBondContact O-N 3.4Å; T315-S317 PolarHBondContact O-N 2.94Å; T315-S317 PolarHBondContact O-OG 2.81Å; T315-S317 VanDerWaalsContact O-OG 3.05Å; T315-S317 PolarHBondContact OG1-OG 2.95Å; T315-S317 VanDerWaalsContact OG1-OG 3.08Å; S317-E319 PolarHBondContact O-N 3.25Å; S317-L320 PolarHBondContact O-N 3.39Å; S317-A321 PolarHBondContact O-N 3.13Å
318Y84.7Confident86.5Confident49 Ų4949.1 Ų49.119%0.19225%0.247CC..Hα-helixtrans-61.8-38.8-163.9-56.5-61.4000113.7I313 K316 L320 A321 A322 L345 H348 F349I313-Y318 HydrophobicContact CG2-CE1 4.4Å; K316-Y318 VanDerWaalsContact C-N 3.32Å; K316-Y318 HydrophobicContact CB-CE2 3.94Å; K316-Y318 VanDerWaalsContact O-CD2 3.3Å; K316-Y318 WeakPolarHBondContact O-CD2 3.42Å; K316-Y318 WeakPolarHBondContact O-CE2 3.2Å; K316-Y318 PolarHBondContact O-N 2.64Å; Y318-L320 PolarHBondContact O-N 2.81Å; Y318-A321 WeakPolarHBondContact O-CB 3.24Å; Y318-A321 PolarHBondContact O-N 3.15Å; Y318-A322 PolarHBondContact O-N 2.96Å; Y318-L345 HydrophobicContact CD1-CD2 3.67Å; Y318-L345 HydrophobicContact CG-CD2 4.27Å; Y318-H348 HydrophobicContact CD1-CB 3.92Å; Y318-H348 AromaticContact CD1-CD2 3.86Å; Y318-H348 AromaticContact CD1-CG 3.75Å; Y318-H348 HydrophobicContact CD2-CB 3.81Å; Y318-H348 HydrophobicContact CE1-CB 4.22Å; Y318-H348 AromaticContact CE1-CD2 3.3Å; Y318-H348 WeakPolarHBondContact CE1-CD2 3.46Å; Y318-H348 AromaticContact CE1-CG 3.7Å; Y318-H348 AromaticContact CE1-NE2 3.72Å; Y318-H348 HydrophobicContact CE2-CB 4.11Å; Y318-H348 AromaticContact CE2-CD2 3.9Å; Y318-H348 HydrophobicContact CG-CB 3.69Å; Y318-H348 AromaticContact CZ-CD2 3.31Å; Y318-H348 AromaticContact CZ-CG 3.97Å; Y318-F349 WeakPolarHBondContact O-CZ 3.43Å
319E81.1Confident86.3Confident117 Ų11749.8 Ų49.855%0.54725%0.249SC..Hα-helixtrans-61.4-46.6178.8-59.169.5-15400110.3S317 A321 A322 V323 F349S317-E319 PolarHBondContact O-N 3.25Å; E319-A321 VanDerWaalsContact C-N 3.33Å; E319-A321 PolarHBondContact O-N 2.98Å; E319-A322 PolarHBondContact O-N 3.04Å; E319-V323 WeakPolarHBondContact O-CG2 3.2Å; E319-V323 PolarHBondContact O-N 3.27Å; E319-F349 HydrophobicContact CB-CE1 4.45Å; E319-F349 HydrophobicContact CG-CE1 4.03Å
320L86.6Confident86.4Confident95 Ų9554.1 Ų54.150%0.49728%0.28SS..Hα-helixtrans-66.6-36.5177.8-61.1-179.9000111.2L312 S317 Y318 V323 Q324L312-L320 HydrophobicContact CD1-CB 3.92Å; L312-L320 HydrophobicContact CD2-CB 4.05Å; L312-L320 HydrophobicContact CD2-CD1 4.24Å; L312-L320 HydrophobicContact CG-CB 4.47Å; S317-L320 PolarHBondContact O-N 3.39Å; Y318-L320 PolarHBondContact O-N 2.81Å; L320-V323 PolarHBondContact O-N 3.15Å; L320-Q324 WeakPolarHBondContact O-CG 3.45Å; L320-Q324 PolarHBondContact O-N 3.18Å
321A89.1Confident86.7Confident0 Ų056.9 Ų56.90%030%0.295CS..Hα-helixtrans-63.3-42173.400000112L312 I313 S317 Y318 E319 Q324 F325 L345L312-A321 HydrophobicContact CB-CB 3.78Å; I313-A321 HydrophobicContact CG1-CB 3.89Å; S317-A321 PolarHBondContact O-N 3.13Å; Y318-A321 WeakPolarHBondContact O-CB 3.24Å; Y318-A321 PolarHBondContact O-N 3.15Å; E319-A321 VanDerWaalsContact C-N 3.33Å; E319-A321 PolarHBondContact O-N 2.98Å; A321-Q324 PolarHBondContact O-N 2.99Å; A321-F325 VanDerWaalsContact O-CD2 3.26Å; A321-F325 WeakPolarHBondContact O-CD2 3.31Å; A321-F325 PolarHBondContact O-N 2.89Å; A321-L345 HydrophobicContact CB-CD1 3.77Å; A321-L345 HydrophobicContact CB-CD2 4.28Å
322A86.7Confident86.8Confident16 Ų1658.5 Ų58.513%0.13230%0.304CS..Hα-helixtrans-66.3-35.417500000112.7Y318 E319 F325 S326 L345 F349Y318-A322 PolarHBondContact O-N 2.96Å; E319-A322 PolarHBondContact O-N 3.04Å; A322-F325 PolarHBondContact O-N 2.93Å; A322-S326 VanDerWaalsContact O-CB 3.3Å; A322-S326 WeakPolarHBondContact O-CB 3.48Å; A322-S326 PolarHBondContact O-N 2.82Å; A322-S326 PolarHBondContact O-OG 2.83Å; A322-L345 HydrophobicContact CB-CD1 3.77Å; A322-L345 VanDerWaalsContact N-CD1 3.31Å; A322-F349 HydrophobicContact CB-CE2 3.79Å; A322-F349 HydrophobicContact CB-CZ 3.56Å
323V88.9Confident86.7Confident87 Ų8762.3 Ų62.353%0.52733%0.33SS..Hα-helixtrans-62.4-43.3170.9170.60000110.7E319 L320 S326 K327E319-V323 WeakPolarHBondContact O-CG2 3.2Å; E319-V323 PolarHBondContact O-N 3.27Å; L320-V323 PolarHBondContact O-N 3.15Å; V323-S326 PolarHBondContact O-N 2.87Å; V323-K327 WeakPolarHBondContact O-CB 3.33Å; V323-K327 PolarHBondContact O-N 3.2Å
324Q93.1Very high86.7Confident45 Ų4569.7 Ų69.721%0.2136%0.355CS..Hα-helixtrans-64.8-44.2175.2-64.1-41-48.300112.3I305 C308 A309 L312 L320 A321 S326 K327 A328I305-Q324 HydrophobicContact CG2-CB 3.91Å; I305-Q324 WeakPolarHBondContact CG2-O 3.44Å; C308-Q324 HydrophobicContact CB-CG 4.43Å; A309-Q324 HydrophobicContact CB-CB 3.73Å; L312-Q324 HydrophobicContact CD1-CG 3.73Å; L320-Q324 WeakPolarHBondContact O-CG 3.45Å; L320-Q324 PolarHBondContact O-N 3.18Å; A321-Q324 PolarHBondContact O-N 2.99Å; Q324-S326 VanDerWaalsContact C-N 3.35Å; Q324-S326 PolarHBondContact O-N 2.58Å; Q324-K327 WeakPolarHBondContact O-CB 3.16Å; Q324-K327 PolarHBondContact O-N 3.46Å; Q324-A328 WeakPolarHBondContact O-CB 3.46Å; Q324-A328 PolarHBondContact O-N 3.02Å
325F91.1Very high86.8Confident0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-64.1-38175.4-69.1-52000113I306 A309 H310 I313 A321 A322 K327 A328 L329 A338 G341 L342 L345I306-F325 HydrophobicContact CG1-CD1 4.47Å; I306-F325 HydrophobicContact CG1-CE1 4.48Å; I306-F325 HydrophobicContact CG2-CE1 4.47Å; A309-F325 HydrophobicContact CB-CD1 3.71Å; A309-F325 HydrophobicContact CB-CD2 4.07Å; A309-F325 HydrophobicContact CB-CE1 3.41Å; A309-F325 VanDerWaalsContact CB-CE1 3.41Å; A309-F325 HydrophobicContact CB-CE2 3.8Å; A309-F325 HydrophobicContact CB-CG 4.03Å; A309-F325 HydrophobicContact CB-CZ 3.46Å; A309-F325 VanDerWaalsContact CB-CZ 3.46Å; H310-F325 AromaticContact CD2-CZ 3.89Å; I313-F325 HydrophobicContact CD1-CE2 3.9Å; I313-F325 HydrophobicContact CD1-CZ 3.98Å; A321-F325 VanDerWaalsContact O-CD2 3.26Å; A321-F325 WeakPolarHBondContact O-CD2 3.31Å; A321-F325 PolarHBondContact O-N 2.89Å; A322-F325 PolarHBondContact O-N 2.93Å; F325-K327 VanDerWaalsContact C-N 3.35Å; F325-A328 PolarHBondContact O-N 3.28Å; F325-L329 WeakPolarHBondContact O-CG 3.48Å; F325-L329 PolarHBondContact O-N 2.72Å; F325-A338 HydrophobicContact CD1-CB 4.23Å; F325-G341 VanDerWaalsContact CD2-C 3.44Å; F325-G341 WeakPolarHBondContact CE2-O 3.36Å; F325-L342 HydrophobicContact CB-CB 4.11Å; F325-L342 HydrophobicContact CB-CD1 4.32Å; F325-L345 HydrophobicContact CD2-CD1 3.65Å; F325-L345 HydrophobicContact CE2-CD1 3.79Å; F325-L345 HydrophobicContact CE2-CG 4.27Å
326S89.4Confident86.5Confident59 Ų5969.6 Ų69.641%0.41336%0.356SS..Hα-helixtrans-63.3-41.5174.2-56.90000111.4A322 V323 Q324 L329 S330 L342A322-S326 VanDerWaalsContact O-CB 3.3Å; A322-S326 WeakPolarHBondContact O-CB 3.48Å; A322-S326 PolarHBondContact O-N 2.82Å; A322-S326 PolarHBondContact O-OG 2.83Å; V323-S326 PolarHBondContact O-N 2.87Å; Q324-S326 VanDerWaalsContact C-N 3.35Å; Q324-S326 PolarHBondContact O-N 2.58Å; S326-L329 PolarHBondContact O-N 2.85Å; S326-S330 PolarHBondContact O-N 2.92Å; S326-L342 WeakPolarHBondContact OG-CD1 3.47Å
327K92Very high86.1Confident83 Ų8365.6 Ų65.636%0.36134%0.339SS..Hα-helixtrans-64.3-38.2172.9-175.3-168.2170.6-160.70112.2G299 I305 V323 Q324 F325 L329 S330 L331G299-K327 PolarHBondContact O-NZ 3.36Å; I305-K327 HydrophobicContact CD1-CD 3.93Å; I305-K327 HydrophobicContact CD1-CG 4.22Å; I305-K327 HydrophobicContact CG1-CD 4.39Å; I305-K327 HydrophobicContact CG2-CB 4.42Å; I305-K327 HydrophobicContact CG2-CD 4.32Å; V323-K327 WeakPolarHBondContact O-CB 3.33Å; V323-K327 PolarHBondContact O-N 3.2Å; Q324-K327 WeakPolarHBondContact O-CB 3.16Å; Q324-K327 PolarHBondContact O-N 3.46Å; F325-K327 VanDerWaalsContact C-N 3.35Å; K327-L329 VanDerWaalsContact C-N 3.34Å; K327-S330 PolarHBondContact O-N 3.46Å; K327-S330 PolarHBondContact O-OG 3.32Å; K327-L331 HydrophobicContact CG-CD1 4.37Å; K327-L331 WeakPolarHBondContact O-CD1 3.33Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.45Å; K327-L331 PolarHBondContact O-N 3.2Å
328A91.7Very high85.9Confident0 Ų063.9 Ų63.90%033%0.328CS..Hα-helixtrans-65.8-37.5174.600000111.7V302 I305 I306 Q324 F325 L331 D332 A338V302-A328 HydrophobicContact CG1-CB 4.15Å; I305-A328 HydrophobicContact CB-CB 4.47Å; I305-A328 HydrophobicContact CG2-CB 3.95Å; I306-A328 HydrophobicContact CG1-CB 4.13Å; Q324-A328 WeakPolarHBondContact O-CB 3.46Å; Q324-A328 PolarHBondContact O-N 3.02Å; F325-A328 PolarHBondContact O-N 3.28Å; A328-L331 PolarHBondContact O-N 2.9Å; A328-D332 PolarHBondContact O-N 3.08Å; A328-A338 HydrophobicContact CB-CB 3.59Å
329L89.1Confident85.5Confident33 Ų3366.5 Ų66.517%0.17334%0.34CS..Hα-helixtrans-72.2-32.6174.9-72.5168.8000113.8F325 S326 K327 L331 D332 P333 A338 F339 L342F325-L329 WeakPolarHBondContact O-CG 3.48Å; F325-L329 PolarHBondContact O-N 2.72Å; S326-L329 PolarHBondContact O-N 2.85Å; K327-L329 VanDerWaalsContact C-N 3.34Å; L329-L331 PolarHBondContact O-N 3.33Å; L329-D332 CarbonylContact O-C 3.54Å; L329-D332 VanDerWaalsContact O-C 3.3Å; L329-P333 VanDerWaalsContact O-CA 3.26Å; L329-P333 WeakPolarHBondContact O-CA 3.21Å; L329-P333 VanDerWaalsContact O-CD 3.3Å; L329-P333 WeakPolarHBondContact O-CD 3.44Å; L329-P333 WeakPolarHBondContact O-CG 3.4Å; L329-A338 HydrophobicContact CD2-CB 4.08Å; L329-A338 HydrophobicContact CG-CB 3.9Å; L329-F339 HydrophobicContact CD2-CB 4.02Å; L329-L342 HydrophobicContact CD1-CD1 4.12Å
330S91.7Very high85Confident91 Ų9162.1 Ų62.164%0.63632%0.318SS*.Hα-helixtrans-70.6-19.9173.466.10000112.9S326 K327S326-S330 PolarHBondContact O-N 2.92Å; K327-S330 PolarHBondContact O-N 3.46Å; K327-S330 PolarHBondContact O-OG 3.32Å
331L92Very high84.4Confident90 Ų9057.9 Ų57.947%0.47130%0.298SS..Hα-helixtrans-91.7-40.1176.3-68.2168.9000113.4V302 I305 K327 A328 L329V302-L331 HydrophobicContact CG2-CB 3.73Å; I305-L331 HydrophobicContact CD1-CD1 3.43Å; I305-L331 VanDerWaalsContact CD1-CD1 3.43Å; K327-L331 HydrophobicContact CG-CD1 4.37Å; K327-L331 WeakPolarHBondContact O-CD1 3.33Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.45Å; K327-L331 PolarHBondContact O-N 3.2Å; A328-L331 PolarHBondContact O-N 2.9Å; L329-L331 PolarHBondContact O-N 3.33Å
332D89.8Confident84Confident39 Ų3960.3 Ų60.321%0.20931%0.31CS..  trans-137.2100.4163.2-179.540.4000111.1V302 A328 L329 R334 S335V302-D332 HydrophobicContact CG2-CB 4.25Å; A328-D332 PolarHBondContact O-N 3.08Å; L329-D332 CarbonylContact O-C 3.54Å; L329-D332 VanDerWaalsContact O-C 3.3Å; D332-R334 PolarHBondContact O-N 2.9Å; D332-R334 IonicContact OD1-CZ 3.31Å; D332-R334 PolarHBondContact OD1-N 3.49Å; D332-R334 IonicContact OD1-NE 3.17Å; D332-R334 PolarHBondContact OD1-NE 2.92Å; D332-R334 IonicContact OD1-NH2 2.75Å; D332-R334 PolarHBondContact OD1-NH2 2.82Å; D332-S335 VanDerWaalsContact O-CB 3.24Å; D332-S335 WeakPolarHBondContact O-CB 3.28Å; D332-S335 PolarHBondContact O-N 3.35Å; D332-S335 PolarHBondContact OD2-N 2.79Å
333P85Confident83.3Confident105 Ų10560.7 Ų60.768%0.68231%0.31SS*.THydrogen-bonded Turntrans-61.1-8.2177.5-26.234.4000115L329L329-P333 VanDerWaalsContact O-CA 3.26Å; L329-P333 WeakPolarHBondContact O-CA 3.21Å; L329-P333 VanDerWaalsContact O-CD 3.3Å; L329-P333 WeakPolarHBondContact O-CD 3.44Å; L329-P333 WeakPolarHBondContact O-CG 3.4Å
334R80.4Confident82.5Confident202 Ų20259.1 Ų59.176%0.76230%0.298SS*.THydrogen-bonded Turntrans-97.6-0.1176.9-56.3163.4-60.3166.210.3112.7D332 K336D332-R334 PolarHBondContact O-N 2.9Å; D332-R334 IonicContact OD1-CZ 3.31Å; D332-R334 PolarHBondContact OD1-N 3.49Å; D332-R334 IonicContact OD1-NE 3.17Å; D332-R334 PolarHBondContact OD1-NE 2.92Å; D332-R334 IonicContact OD1-NH2 2.75Å; D332-R334 PolarHBondContact OD1-NH2 2.82Å; R334-K336 PolarHBondContact O-N 2.66Å
335S78.7Confident81.9Confident15 Ų1557 Ų5711%0.10529%0.288CS..  trans-65.793.2178.2-177.40000110.7D332 E337 A338 F339D332-S335 VanDerWaalsContact O-CB 3.24Å; D332-S335 WeakPolarHBondContact O-CB 3.28Å; D332-S335 PolarHBondContact O-N 3.35Å; D332-S335 PolarHBondContact OD2-N 2.79Å; S335-E337 PolarHBondContact O-N 3.48Å; S335-A338 PolarHBondContact O-N 3Å; S335-A338 WeakPolarHBondContact OG-CB 3.32Å; S335-A338 PolarHBondContact OG-N 3.09Å; S335-F339 PolarHBondContact O-N 2.91Å
336K71Confident81.5Confident145 Ų14559 Ų5963%0.6330%0.296SS*.Hα-helixtrans-56.8-35.3178.5-64.9-179-179.7178.30112.2R334 R340R334-K336 PolarHBondContact O-N 2.66Å; K336-R340 WeakPolarHBondContact O-CB 3.39Å; K336-R340 PolarHBondContact O-N 3.28Å
337E72.7Confident80.8Confident71 Ų7157.4 Ų57.433%0.33228%0.284SS..Hα-helixtrans-71.4-43.7-179.6-174.1168.2-144.800111.4I306 H310 S335 R340 G341I306-E337 HydrophobicContact CD1-CB 4.18Å; I306-E337 HydrophobicContact CD1-CG 4.26Å; I306-E337 HydrophobicContact CG2-CG 3.94Å; H310-E337 IonicContact CE1-OE1 2.65Å; S335-E337 PolarHBondContact O-N 3.48Å; E337-R340 PolarHBondContact O-N 2.98Å; E337-G341 PolarHBondContact O-N 3.38Å
338A79.4Confident80.2Confident0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-66.7-41.4174.700000112.7I306 F325 A328 L329 S335 R340 G341 L342I306-A338 HydrophobicContact CD1-CB 4.13Å; I306-A338 HydrophobicContact CG1-CB 4.22Å; F325-A338 HydrophobicContact CD1-CB 4.23Å; A328-A338 HydrophobicContact CB-CB 3.59Å; L329-A338 HydrophobicContact CD2-CB 4.08Å; L329-A338 HydrophobicContact CG-CB 3.9Å; S335-A338 PolarHBondContact O-N 3Å; S335-A338 WeakPolarHBondContact OG-CB 3.32Å; S335-A338 PolarHBondContact OG-N 3.09Å; A338-R340 VanDerWaalsContact C-N 3.32Å; A338-R340 PolarHBondContact O-N 3.38Å; A338-G341 PolarHBondContact O-N 2.86Å; A338-L342 PolarHBondContact O-N 2.81Å
339F77Confident79.8Confident103 Ų10358 Ų5845%0.45229%0.287SS..Hα-helixtrans-58.3-46.8173.5-176.8-96.3000111.1L329 S335 L342 Q343L329-F339 HydrophobicContact CD2-CB 4.02Å; S335-F339 PolarHBondContact O-N 2.91Å; F339-L342 PolarHBondContact O-N 2.97Å; F339-Q343 HydrophobicContact CD1-CG 4.26Å; F339-Q343 VanDerWaalsContact CE1-CD 3.48Å; F339-Q343 HydrophobicContact CE1-CG 3.96Å; F339-Q343 HydrophobicContact CZ-CG 4.45Å; F339-Q343 WeakPolarHBondContact O-CG 3.19Å; F339-Q343 PolarHBondContact O-N 2.79Å; F339-Q343 VanDerWaalsContact O-N 3.15Å
340R69.4Low79.6Confident25 Ų2556.4 Ų56.49%0.09428%0.28CS..Hα-helixtrans-63.4-48.1179-175.8-165.9173.8127.420.4112.1K336 E337 A338 L342 Q343 D344 S957 A959 I960K336-R340 WeakPolarHBondContact O-CB 3.39Å; K336-R340 PolarHBondContact O-N 3.28Å; E337-R340 PolarHBondContact O-N 2.98Å; A338-R340 VanDerWaalsContact C-N 3.32Å; A338-R340 PolarHBondContact O-N 3.38Å; R340-L342 PolarHBondContact O-N 3.18Å; R340-Q343 CarbonylContact O-C 3.6Å; R340-Q343 WeakPolarHBondContact O-CA 3.38Å; R340-Q343 WeakPolarHBondContact O-CB 3.5Å; R340-Q343 PolarHBondContact O-N 3.35Å; R340-D344 WeakPolarHBondContact CG-OD2 3.34Å; R340-D344 IonicContact CZ-OD2 2.85Å; R340-D344 IonicContact NE-OD2 2.74Å; R340-D344 PolarHBondContact NE-OD2 3.31Å; R340-D344 IonicContact NH2-OD2 2.7Å; R340-D344 PolarHBondContact O-N 3.29Å; R340-S957 PolarHBondContact NH1-OG 2.92Å; R340-A959 PolarHBondContact NH1-O 3.29Å; R340-I960 PolarHBondContact NH1-O 2.96Å; R340-I960 VanDerWaalsContact NH2-CB 3.34Å; R340-I960 PolarHBondContact NH2-O 3.3Å
341G74.3Confident79.2Confident6 Ų658.3 Ų58.36%0.06227%0.273CS..Hα-helixtrans-57.4-35.1179.500000112.6F325 E337 A338 D344 L345F325-G341 VanDerWaalsContact CD2-C 3.44Å; F325-G341 WeakPolarHBondContact CE2-O 3.36Å; E337-G341 PolarHBondContact O-N 3.38Å; A338-G341 PolarHBondContact O-N 2.86Å; G341-D344 PolarHBondContact O-N 3.16Å; G341-L345 WeakPolarHBondContact O-CB 3.49Å; G341-L345 WeakPolarHBondContact O-CG 3.15Å; G341-L345 PolarHBondContact O-N 2.76Å
342L80Confident78.7Confident51 Ų5156.6 Ų56.627%0.26726%0.262SS..Hα-helixtrans-69.4-34.6172.7-157.3154.4000112.5F325 S326 L329 A338 F339 R340F325-L342 HydrophobicContact CB-CB 4.11Å; F325-L342 HydrophobicContact CB-CD1 4.32Å; S326-L342 WeakPolarHBondContact OG-CD1 3.47Å; L329-L342 HydrophobicContact CD1-CD1 4.12Å; A338-L342 PolarHBondContact O-N 2.81Å; F339-L342 PolarHBondContact O-N 2.97Å; R340-L342 PolarHBondContact O-N 3.18Å
343Q73Confident78.3Confident25 Ų2560.5 Ų60.512%0.11727%0.274CS..Hα-helixtrans-67.6-46170.3-61.4-166.6-86.200112.4F339 R340 L345 R346F339-Q343 HydrophobicContact CD1-CG 4.26Å; F339-Q343 VanDerWaalsContact CE1-CD 3.48Å; F339-Q343 HydrophobicContact CE1-CG 3.96Å; F339-Q343 HydrophobicContact CZ-CG 4.45Å; F339-Q343 WeakPolarHBondContact O-CG 3.19Å; F339-Q343 PolarHBondContact O-N 2.79Å; F339-Q343 VanDerWaalsContact O-N 3.15Å; R340-Q343 CarbonylContact O-C 3.6Å; R340-Q343 WeakPolarHBondContact O-CA 3.38Å; R340-Q343 WeakPolarHBondContact O-CB 3.5Å; R340-Q343 PolarHBondContact O-N 3.35Å; Q343-L345 PolarHBondContact O-N 2.91Å; Q343-R346 WeakPolarHBondContact O-CB 3.48Å; Q343-R346 WeakPolarHBondContact O-CG 3.36Å; Q343-R346 PolarHBondContact O-N 2.61Å; Q343-R346 VanDerWaalsContact O-N 3.17Å
344D72.8Confident78.6Confident53 Ų5357 Ų5728%0.28325%0.249SC..Hα-helixtrans-68-20.3-178.1-70.7-25.8000111.8R340 G341R340-D344 WeakPolarHBondContact CG-OD2 3.34Å; R340-D344 IonicContact CZ-OD2 2.85Å; R340-D344 IonicContact NE-OD2 2.74Å; R340-D344 PolarHBondContact NE-OD2 3.31Å; R340-D344 IonicContact NH2-OD2 2.7Å; R340-D344 PolarHBondContact O-N 3.29Å; G341-D344 PolarHBondContact O-N 3.16Å
345L80.6Confident79.1Confident1 Ų147.5 Ų47.51%0.00521%0.213CC..Hα-helixtrans-75.1-29.7171.2-85.4176.8000114.9I313 Y318 A321 A322 F325 G341 Q343 P347 H348 F349I313-L345 HydrophobicContact CG1-CD2 3.91Å; I313-L345 HydrophobicContact CG1-CG 4.46Å; Y318-L345 HydrophobicContact CD1-CD2 3.67Å; Y318-L345 HydrophobicContact CG-CD2 4.27Å; A321-L345 HydrophobicContact CB-CD1 3.77Å; A321-L345 HydrophobicContact CB-CD2 4.28Å; A322-L345 HydrophobicContact CB-CD1 3.77Å; A322-L345 VanDerWaalsContact N-CD1 3.31Å; F325-L345 HydrophobicContact CD2-CD1 3.65Å; F325-L345 HydrophobicContact CE2-CD1 3.79Å; F325-L345 HydrophobicContact CE2-CG 4.27Å; G341-L345 WeakPolarHBondContact O-CB 3.49Å; G341-L345 WeakPolarHBondContact O-CG 3.15Å; G341-L345 PolarHBondContact O-N 2.76Å; Q343-L345 PolarHBondContact O-N 2.91Å; L345-P347 VanDerWaalsContact C-CD 3.44Å; L345-H348 VanDerWaalsContact O-CB 3.31Å; L345-H348 WeakPolarHBondContact O-CB 3.44Å; L345-H348 PolarHBondContact O-N 3.31Å; L345-H348 PolarHBondContact O-ND1 3.5Å; L345-H348 VanDerWaalsContact O-ND1 3.11Å; L345-F349 HydrophobicContact CB-CD2 4.48Å; L345-F349 HydrophobicContact CB-CE2 3.86Å; L345-F349 HydrophobicContact CB-CZ 4.5Å; L345-F349 HydrophobicContact CD1-CE2 4.45Å; L345-F349 HydrophobicContact CD1-CZ 4.5Å
346R81.5Confident79.6Confident41 Ų4148.7 Ų48.716%0.15522%0.216CC..Hα-helixtrans-45.7-46.7-173.2-67.6172.9173.4-174.4-8.3116.4Q343 H348 F349 V350 P845 Y846 H847Q343-R346 WeakPolarHBondContact O-CB 3.48Å; Q343-R346 WeakPolarHBondContact O-CG 3.36Å; Q343-R346 PolarHBondContact O-N 2.61Å; Q343-R346 VanDerWaalsContact O-N 3.17Å; R346-H348 PolarHBondContact O-N 2.9Å; R346-F349 WeakPolarHBondContact O-CB 3.48Å; R346-F349 PolarHBondContact O-N 3.33Å; R346-V350 PolarHBondContact O-N 2.91Å; R346-V350 VanDerWaalsContact O-N 3.08Å; R346-P845 PolarHBondContact NE-O 2.91Å; R346-P845 PolarHBondContact NH2-O 3.07Å; R346-Y846 WeakPolarHBondContact CB-O 3.46Å; R346-H847 WeakPolarHBondContact CD-O 3.38Å; R346-H847 PolarHBondContact NH1-CE1 2.9Å; R346-H847 PolarHBondContact NH1-NE2 3.18Å; R346-H847 PolarHBondContact NH1-O 3.05Å
347P74.6Confident80.6Confident26 Ų2643.5 Ų43.517%0.16920%0.195CC..Hα-helixtrans-69.2-11.1-178.427.3-35.1000114.4L345 V350 Q352 T848L345-P347 VanDerWaalsContact C-CD 3.44Å; P347-V350 WeakPolarHBondContact CA-O 3.42Å; P347-Q352 HydrophobicContact CB-CG 4.21Å; P347-T848 HydrophobicContact CB-CG2 3.69Å; P347-T848 HydrophobicContact CG-CG2 3.68Å
348H80.2Confident81.7Confident67 Ų6740.5 Ų40.531%0.3118%0.181SC..Hα-helixtrans-80.5-29.2170.8-53.789.9000111.6Y318 L345 R346Y318-H348 HydrophobicContact CD1-CB 3.92Å; Y318-H348 AromaticContact CD1-CD2 3.86Å; Y318-H348 AromaticContact CD1-CG 3.75Å; Y318-H348 HydrophobicContact CD2-CB 3.81Å; Y318-H348 HydrophobicContact CE1-CB 4.22Å; Y318-H348 AromaticContact CE1-CD2 3.3Å; Y318-H348 WeakPolarHBondContact CE1-CD2 3.46Å; Y318-H348 AromaticContact CE1-CG 3.7Å; Y318-H348 AromaticContact CE1-NE2 3.72Å; Y318-H348 HydrophobicContact CE2-CB 4.11Å; Y318-H348 AromaticContact CE2-CD2 3.9Å; Y318-H348 HydrophobicContact CG-CB 3.69Å; Y318-H348 AromaticContact CZ-CD2 3.31Å; Y318-H348 AromaticContact CZ-CG 3.97Å; L345-H348 VanDerWaalsContact O-CB 3.31Å; L345-H348 WeakPolarHBondContact O-CB 3.44Å; L345-H348 PolarHBondContact O-N 3.31Å; L345-H348 PolarHBondContact O-ND1 3.5Å; L345-H348 VanDerWaalsContact O-ND1 3.11Å; R346-H348 PolarHBondContact O-N 2.9Å
349F82.5Confident82.4Confident28 Ų2840.7 Ų40.712%0.12318%0.182CC..Hα-helixtrans-83.5-47.4178.3-64.5-47.9000113Y318 E319 A322 L345 R346 N411 L413 Y846Y318-F349 WeakPolarHBondContact O-CZ 3.43Å; E319-F349 HydrophobicContact CB-CE1 4.45Å; E319-F349 HydrophobicContact CG-CE1 4.03Å; A322-F349 HydrophobicContact CB-CE2 3.79Å; A322-F349 HydrophobicContact CB-CZ 3.56Å; L345-F349 HydrophobicContact CB-CD2 4.48Å; L345-F349 HydrophobicContact CB-CE2 3.86Å; L345-F349 HydrophobicContact CB-CZ 4.5Å; L345-F349 HydrophobicContact CD1-CE2 4.45Å; L345-F349 HydrophobicContact CD1-CZ 4.5Å; R346-F349 WeakPolarHBondContact O-CB 3.48Å; R346-F349 PolarHBondContact O-N 3.33Å; F349-N411 PolarHBondContact O-ND2 3.44Å; F349-L413 HydrophobicContact CB-CD2 3.69Å; F349-L413 HydrophobicContact CG-CD2 4.34Å; F349-Y846 HydrophobicContact CB-CD1 4.44Å
350V85Confident83.2Confident1 Ų136.3 Ų36.31%0.00616%0.163CC..SBendtrans-123.9110.5175.3-178.20000107.9R346 P347 H354 L413 M414 I417 I843 Y846R346-V350 PolarHBondContact O-N 2.91Å; R346-V350 VanDerWaalsContact O-N 3.08Å; P347-V350 WeakPolarHBondContact CA-O 3.42Å; V350-H354 HydrophobicContact CG1-CB 4.18Å; V350-L413 HydrophobicContact CG2-CD2 4.3Å; V350-M414 HydrophobicContact CG1-SD 4.08Å; V350-M414 HydrophobicContact CG2-SD 3.92Å; V350-I417 HydrophobicContact CG2-CD1 4.01Å; V350-I843 HydrophobicContact CG1-CD1 4.01Å; V350-I843 HydrophobicContact CG1-CG1 4Å; V350-Y846 HydrophobicContact CB-CG 4.23Å; V350-Y846 HydrophobicContact CG2-CD1 3.99Å; V350-Y846 HydrophobicContact CG2-CD2 3.84Å; V350-Y846 HydrophobicContact CG2-CG 3.55Å
351R83Confident84.4Confident130 Ų13037.1 Ų37.149%0.49117%0.171SC..  trans-65.1134.4-177.2-61.6-65.1-163154.58.6110.8W353 H354R351-W353 HydrophobicContact CB-CD2 3.65Å; R351-W353 HydrophobicContact CB-CE3 3.73Å; R351-W353 HydrophobicContact CB-CG 4.47Å; R351-W353 HydrophobicContact CB-CH2 3.67Å; R351-W353 HydrophobicContact CB-CZ2 3.57Å; R351-W353 HydrophobicContact CB-CZ3 3.74Å; R351-W353 HydrophobicContact CG-CH2 3.57Å; R351-W353 HydrophobicContact CG-CZ2 3.57Å; R351-W353 HydrophobicContact CG-CZ3 4.08Å; R351-W353 PolarHBondContact O-N 2.61Å; R351-H354 WeakPolarHBondContact O-CB 3.25Å; R351-H354 PolarHBondContact O-N 3.01Å; R351-H354 PolarHBondContact O-ND1 2.81Å
352Q81.2Confident85.2Confident54 Ų5441.8 Ų41.825%0.25219%0.191SC..THydrogen-bonded Turntrans-55.1-31.8-170.5-68.1-172.7-5700114.4P347 H354 F355 T848P347-Q352 HydrophobicContact CB-CG 4.21Å; Q352-H354 PolarHBondContact O-N 3.28Å; Q352-H354 VanDerWaalsContact O-N 3.08Å; Q352-F355 WeakPolarHBondContact O-CD2 3.43Å; Q352-F355 PolarHBondContact O-N 2.86Å; Q352-T848 HydrophobicContact CG-CG2 4.26Å; Q352-T848 PolarHBondContact NE2-OG1 2.92Å
353W83.2Confident85.9Confident122 Ų12240.2 Ų40.246%0.46218%0.182SC..Hα-helixtrans-59.4-22.1179.356.297.4000113.8R351 F355 K356 M357R351-W353 HydrophobicContact CB-CD2 3.65Å; R351-W353 HydrophobicContact CB-CE3 3.73Å; R351-W353 HydrophobicContact CB-CG 4.47Å; R351-W353 HydrophobicContact CB-CH2 3.67Å; R351-W353 HydrophobicContact CB-CZ2 3.57Å; R351-W353 HydrophobicContact CB-CZ3 3.74Å; R351-W353 HydrophobicContact CG-CH2 3.57Å; R351-W353 HydrophobicContact CG-CZ2 3.57Å; R351-W353 HydrophobicContact CG-CZ3 4.08Å; R351-W353 PolarHBondContact O-N 2.61Å; W353-F355 PolarHBondContact O-N 2.81Å; W353-K356 PolarHBondContact O-N 3.49Å; W353-M357 VanDerWaalsContact O-CB 3.31Å; W353-M357 WeakPolarHBondContact O-CB 3.37Å; W353-M357 VanDerWaalsContact O-CG 3.27Å; W353-M357 WeakPolarHBondContact O-CG 3.2Å; W353-M357 PolarHBondContact O-N 2.89Å
354H89.8Confident87Confident32 Ų3239.1 Ų39.115%0.14818%0.176CC..Hα-helixtrans-54.9-37.7170.1-72.485.6000113.1V350 R351 Q352 L358 I843V350-H354 HydrophobicContact CG1-CB 4.18Å; R351-H354 WeakPolarHBondContact O-CB 3.25Å; R351-H354 PolarHBondContact O-N 3.01Å; R351-H354 PolarHBondContact O-ND1 2.81Å; Q352-H354 PolarHBondContact O-N 3.28Å; Q352-H354 VanDerWaalsContact O-N 3.08Å; H354-L358 WeakPolarHBondContact O-CB 3.32Å; H354-L358 WeakPolarHBondContact O-CD1 3.13Å; H354-L358 WeakPolarHBondContact O-CG 3.41Å; H354-L358 PolarHBondContact O-N 2.84Å; H354-I843 HydrophobicContact CB-CD1 3.83Å
355F92.2Very high88.1Confident1 Ų142.9 Ų42.90%0.00419%0.187CC..Hα-helixtrans-71-48178.7-58.3-65.5000110.8Q352 W353 M357 L358 N359 E824 T826 C827 I843Q352-F355 WeakPolarHBondContact O-CD2 3.43Å; Q352-F355 PolarHBondContact O-N 2.86Å; W353-F355 PolarHBondContact O-N 2.81Å; F355-M357 VanDerWaalsContact C-N 3.3Å; F355-M357 PolarHBondContact O-N 2.86Å; F355-L358 PolarHBondContact O-N 2.81Å; F355-N359 WeakPolarHBondContact O-CB 3.4Å; F355-N359 PolarHBondContact O-N 2.69Å; F355-N359 PolarHBondContact O-ND2 2.84Å; F355-E824 CarbonylContact C-O 3.45Å; F355-T826 VanDerWaalsContact CD2-O 3.31Å; F355-T826 WeakPolarHBondContact CD2-O 3.29Å; F355-T826 WeakPolarHBondContact CE2-O 3.47Å; F355-C827 VanDerWaalsContact CD1-CA 3.44Å; F355-I843 HydrophobicContact CD1-CD1 4.37Å; F355-I843 HydrophobicContact CE1-CB 4.34Å; F355-I843 HydrophobicContact CE1-CD1 4.03Å; F355-I843 HydrophobicContact CE1-CG1 3.75Å; F355-I843 HydrophobicContact CE1-CG2 4.04Å; F355-I843 HydrophobicContact CZ-CG1 4.14Å
356K88.8Confident88.9Confident40 Ų4043.7 Ų43.717%0.17419%0.192CC..Hα-helixtrans-54.1-46.6174.4-156.6-174.9-174.4-155.10111.1W353 D360 S623 D625 E824 Y825W353-K356 PolarHBondContact O-N 3.49Å; K356-D360 PolarHBondContact O-N 3.18Å; K356-S623 VanDerWaalsContact CD-O 3.25Å; K356-S623 WeakPolarHBondContact CD-O 3.33Å; K356-S623 WeakPolarHBondContact CE-O 3.1Å; K356-S623 PolarHBondContact NZ-O 3.01Å; K356-S623 WeakPolarHBondContact O-CB 3.45Å; K356-D625 IonicContact NZ-OD1 2.77Å; K356-D625 PolarHBondContact NZ-OD1 3.21Å; K356-D625 IonicContact NZ-OD2 3.59Å; K356-D625 PolarHBondContact NZ-OD2 3.32Å; K356-E824 PolarHBondContact N-O 2.76Å; K356-Y825 HydrophobicContact CD-CD1 4.42Å; K356-Y825 HydrophobicContact CD-CE1 4.26Å; K356-Y825 HydrophobicContact CG-CD1 4.06Å; K356-Y825 HydrophobicContact CG-CE1 4.12Å
357M92.3Very high89.7Confident37 Ų3741.8 Ų41.818%0.18219%0.185CC..Hα-helixtrans-65.8-37.3177.8-75.6-167.6-52.900114.5W353 F355 R363W353-M357 VanDerWaalsContact O-CB 3.31Å; W353-M357 WeakPolarHBondContact O-CB 3.37Å; W353-M357 VanDerWaalsContact O-CG 3.27Å; W353-M357 WeakPolarHBondContact O-CG 3.2Å; W353-M357 PolarHBondContact O-N 2.89Å; F355-M357 VanDerWaalsContact C-N 3.3Å; F355-M357 PolarHBondContact O-N 2.86Å; M357-R363 PolarHBondContact O-NH1 3.5Å; M357-R363 PolarHBondContact SD-NH2 3.11Å
358L94.9Very high90.8Very high7 Ų743.7 Ų43.74%0.03719%0.192CC..Hα-helixtrans-80.2-28.4179.5-70.8167.2000112.6H354 F355 D360 N364 T390 I392 L828 T834 V839 I843H354-L358 WeakPolarHBondContact O-CB 3.32Å; H354-L358 WeakPolarHBondContact O-CD1 3.13Å; H354-L358 WeakPolarHBondContact O-CG 3.41Å; H354-L358 PolarHBondContact O-N 2.84Å; F355-L358 PolarHBondContact O-N 2.81Å; L358-D360 VanDerWaalsContact C-N 3.26Å; L358-D360 PolarHBondContact O-N 2.91Å; L358-N364 PolarHBondContact O-ND2 3.36Å; L358-T390 HydrophobicContact CD1-CG2 4Å; L358-I392 HydrophobicContact CD2-CD1 4.16Å; L358-I392 HydrophobicContact CD2-CG2 4.39Å; L358-L828 HydrophobicContact CB-CD1 4Å; L358-T834 HydrophobicContact CB-CG2 4.1Å; L358-T834 HydrophobicContact CD2-CG2 3.82Å; L358-T834 HydrophobicContact CG-CG2 4.5Å; L358-V839 HydrophobicContact CD1-CG1 4.08Å; L358-I843 HydrophobicContact CD1-CD1 3.55Å; L358-I843 HydrophobicContact CD1-CG2 4.26Å
359N94.6Very high91.6Very high5 Ų545.8 Ų45.83%0.02720%0.2CC..Hα-helixtrans-73.8-15.2172.5-73.7-56.9000113.4F355 V361 E824 C827 L828 V829 R833F355-N359 WeakPolarHBondContact O-CB 3.4Å; F355-N359 PolarHBondContact O-N 2.69Å; F355-N359 PolarHBondContact O-ND2 2.84Å; N359-V361 PolarHBondContact O-N 3.38Å; N359-V361 VanDerWaalsContact O-N 3.08Å; N359-E824 HydrophobicContact CB-CB 4.24Å; N359-E824 HydrophobicContact CB-CG 4.16Å; N359-E824 WeakPolarHBondContact ND2-CA 3.32Å; N359-E824 PolarHBondContact ND2-O 3.23Å; N359-C827 PolarHBondContact ND2-O 2.81Å; N359-L828 WeakPolarHBondContact OD1-CD1 3.38Å; N359-V829 PolarHBondContact OD1-N 3.24Å; N359-R833 PolarHBondContact O-NH1 3.34Å; N359-R833 VanDerWaalsContact O-NH1 3.13Å
360D93.4Very high92.4Very high10 Ų1044.5 Ų44.55%0.05319%0.194CC..  trans-75.590178.5-171-18.1000112.4K356 L358 E362 R363 N364 T622 S623K356-D360 PolarHBondContact O-N 3.18Å; L358-D360 VanDerWaalsContact C-N 3.26Å; L358-D360 PolarHBondContact O-N 2.91Å; D360-E362 PolarHBondContact O-N 3.42Å; D360-E362 PolarHBondContact OD1-N 3.36Å; D360-R363 HydrophobicContact CB-CB 3.93Å; D360-R363 WeakPolarHBondContact OD1-CB 3.32Å; D360-R363 PolarHBondContact OD1-N 3.44Å; D360-R363 VanDerWaalsContact OD2-CB 3.28Å; D360-R363 WeakPolarHBondContact OD2-CB 3.45Å; D360-N364 WeakPolarHBondContact O-CB 3.25Å; D360-N364 PolarHBondContact O-N 3.05Å; D360-N364 PolarHBondContact O-ND2 3.34Å; D360-T622 WeakPolarHBondContact OD2-CA 3.5Å; D360-S623 WeakPolarHBondContact CB-OG 3.36Å; D360-S623 WeakPolarHBondContact OD2-CB 3.29Å; D360-S623 PolarHBondContact OD2-N 2.99Å; D360-S623 PolarHBondContact OD2-OG 3.1Å
361V93.6Very high93Very high43 Ų4344.5 Ų44.526%0.26119%0.194SC..Hα-helixtrans-65.1-25.3178.6-164.50000112.2N359 R365 R833 L835N359-V361 PolarHBondContact O-N 3.38Å; N359-V361 VanDerWaalsContact O-N 3.08Å; V361-R365 WeakPolarHBondContact O-CB 3.47Å; V361-R365 PolarHBondContact O-N 3.1Å; V361-R833 HydrophobicContact CG2-CB 4.39Å; V361-R833 HydrophobicContact CG2-CG 4.47Å; V361-L835 HydrophobicContact CG1-CD2 4.21Å
362E92.1Very high93.8Very high103 Ų10342 Ų4248%0.48119%0.188SC..Hα-helixtrans-76.8-51-178.6-173.5158.8-151.400110.2D360 N364 R365 S366D360-E362 PolarHBondContact O-N 3.42Å; D360-E362 PolarHBondContact OD1-N 3.36Å; E362-N364 PolarHBondContact O-N 3.07Å; E362-R365 PolarHBondContact O-N 3.2Å; E362-S366 WeakPolarHBondContact O-CB 3.4Å; E362-S366 PolarHBondContact O-N 3.3Å; E362-S366 PolarHBondContact O-OG 3.12Å
363R94.4Very high94.6Very high19 Ų1943.4 Ų43.47%0.07219%0.191CC..Hα-helixtrans-52.2-54.5169.2174.7179.8172.7-87.26.1111.6M357 D360 R365 S366 Y367 E457 I614 W624M357-R363 PolarHBondContact O-NH1 3.5Å; M357-R363 PolarHBondContact SD-NH2 3.11Å; D360-R363 HydrophobicContact CB-CB 3.93Å; D360-R363 WeakPolarHBondContact OD1-CB 3.32Å; D360-R363 PolarHBondContact OD1-N 3.44Å; D360-R363 VanDerWaalsContact OD2-CB 3.28Å; D360-R363 WeakPolarHBondContact OD2-CB 3.45Å; R363-R365 VanDerWaalsContact C-N 3.33Å; R363-R365 PolarHBondContact O-N 3.16Å; R363-S366 PolarHBondContact O-N 3.36Å; R363-Y367 HydrophobicContact CG-CD2 4.42Å; R363-Y367 PolarHBondContact O-N 2.77Å; R363-E457 IonicContact CZ-OE2 3.62Å; R363-E457 IonicContact NE-OE2 3.91Å; R363-E457 PolarHBondContact NE-OE2 3Å; R363-E457 IonicContact NH2-OE2 3.71Å; R363-E457 PolarHBondContact NH2-OE2 3.43Å; R363-I614 HydrophobicContact CB-CD1 4.37Å; R363-I614 HydrophobicContact CG-CD1 4.26Å; R363-W624 HydrophobicContact CB-CH2 4.47Å; R363-W624 HydrophobicContact CB-CZ3 4.09Å; R363-W624 VanDerWaalsContact CD-CH2 3.46Å; R363-W624 HydrophobicContact CG-CH2 3.72Å; R363-W624 HydrophobicContact CG-CZ3 3.84Å
364N95.8Very high95.2Very high1 Ų137.6 Ų37.61%0.00517%0.169CC..Hα-helixtrans-58.6-43.1-178.7-70.4-17.7000111.9L358 D360 E362 Q368 M396 R833 L835L358-N364 PolarHBondContact O-ND2 3.36Å; D360-N364 WeakPolarHBondContact O-CB 3.25Å; D360-N364 PolarHBondContact O-N 3.05Å; D360-N364 PolarHBondContact O-ND2 3.34Å; E362-N364 PolarHBondContact O-N 3.07Å; N364-Q368 WeakPolarHBondContact O-CB 3.28Å; N364-Q368 PolarHBondContact O-N 3.07Å; N364-M396 HydrophobicContact CB-CE 4.25Å; N364-M396 WeakPolarHBondContact O-CE 2.99Å; N364-R833 PolarHBondContact ND2-O 2.76Å; N364-L835 HydrophobicContact CB-CD1 4.18Å; N364-L835 HydrophobicContact CB-CG 4.22Å
365R96.4Very high95.6Very high133 Ų13336.9 Ų36.950%0.50217%0.166SC..Hα-helixtrans-72.6-35.5-179-174.6176.9-62.8-161.1-1.2112.8V361 E362 R363 K369V361-R365 WeakPolarHBondContact O-CB 3.47Å; V361-R365 PolarHBondContact O-N 3.1Å; E362-R365 PolarHBondContact O-N 3.2Å; R363-R365 VanDerWaalsContact C-N 3.33Å; R363-R365 PolarHBondContact O-N 3.16Å; R365-K369 WeakPolarHBondContact O-CG 3.02Å; R365-K369 PolarHBondContact O-N 3.38Å; R365-K369 VanDerWaalsContact O-N 3.09Å
366S96.9Very high95.8Very high18 Ų1843 Ų4313%0.12620%0.195CC..Hα-helixtrans-67.5-44.1175.1-72.90000111.2E362 R363 K369 A370 L608E362-S366 WeakPolarHBondContact O-CB 3.4Å; E362-S366 PolarHBondContact O-N 3.3Å; E362-S366 PolarHBondContact O-OG 3.12Å; R363-S366 PolarHBondContact O-N 3.36Å; S366-K369 PolarHBondContact O-N 2.7Å; S366-A370 WeakPolarHBondContact O-CB 3.26Å; S366-A370 PolarHBondContact O-N 2.81Å; S366-L608 VanDerWaalsContact C-CD1 3.49Å
367Y98.1Very high96.1Very high1 Ų143.6 Ų43.60%0.00420%0.202CC..Hα-helixtrans-60.5-45.6172.3-95.2-87.4000112.5R363 K369 A370 I371 L393 V455 T456 E457 M459 I487 L608 I614R363-Y367 HydrophobicContact CG-CD2 4.42Å; R363-Y367 PolarHBondContact O-N 2.77Å; Y367-K369 VanDerWaalsContact C-N 3.35Å; Y367-K369 PolarHBondContact O-N 3.2Å; Y367-A370 PolarHBondContact O-N 3.49Å; Y367-I371 HydrophobicContact CD1-CD1 4.35Å; Y367-I371 WeakPolarHBondContact O-CB 3.44Å; Y367-I371 WeakPolarHBondContact O-CD1 3.4Å; Y367-I371 VanDerWaalsContact O-CG1 3.24Å; Y367-I371 WeakPolarHBondContact O-CG1 3.49Å; Y367-I371 PolarHBondContact O-N 2.65Å; Y367-L393 HydrophobicContact CD1-CD1 3.89Å; Y367-L393 HydrophobicContact CD1-CD2 3.76Å; Y367-L393 HydrophobicContact CD1-CG 4.47Å; Y367-L393 HydrophobicContact CE1-CD1 3.97Å; Y367-L393 HydrophobicContact CG-CD2 3.85Å; Y367-V455 HydrophobicContact CD1-CG2 3.97Å; Y367-V455 HydrophobicContact CE1-CG2 3.81Å; Y367-T456 WeakPolarHBondContact CE1-O 3.33Å; Y367-T456 PolarHBondContact OH-O 3.48Å; Y367-E457 HydrophobicContact CE1-CG 4.44Å; Y367-E457 HydrophobicContact CE2-CG 3.81Å; Y367-M459 WeakPolarHBondContact OH-CE 3.17Å; Y367-I487 HydrophobicContact CD1-CG2 4.15Å; Y367-I487 HydrophobicContact CE1-CG2 3.79Å; Y367-L608 HydrophobicContact CD2-CD1 3.82Å; Y367-L608 HydrophobicContact CD2-CD2 4.44Å; Y367-L608 HydrophobicContact CE1-CD2 4.4Å; Y367-L608 HydrophobicContact CE2-CD1 4.05Å; Y367-L608 HydrophobicContact CE2-CD2 3.81Å; Y367-L608 HydrophobicContact CG-CD1 4.07Å; Y367-I614 HydrophobicContact CD2-CD1 3.77Å; Y367-I614 HydrophobicContact CE2-CD1 3.75Å
368Q98.1Very high96.2Very high66 Ų6644.3 Ų44.331%0.30822%0.219SC..Hα-helixtrans-54.7-49.8176.4-174.9-173.547.100111.8N364 Q372 M396 L835N364-Q368 WeakPolarHBondContact O-CB 3.28Å; N364-Q368 PolarHBondContact O-N 3.07Å; Q368-Q372 VanDerWaalsContact O-CB 3.22Å; Q368-Q372 WeakPolarHBondContact O-CB 3.24Å; Q368-Q372 PolarHBondContact O-N 3.18Å; Q368-M396 VanDerWaalsContact CA-SD 3.52Å; Q368-M396 HydrophobicContact CB-CE 4.5Å; Q368-M396 HydrophobicContact CB-CG 4.37Å; Q368-M396 HydrophobicContact CB-SD 3.71Å; Q368-M396 HydrophobicContact CG-CG 4.46Å; Q368-M396 HydrophobicContact CG-SD 4.42Å; Q368-M396 PolarHBondContact N-SD 2.98Å; Q368-L835 HydrophobicContact CB-CD1 3.89Å; Q368-L835 HydrophobicContact CG-CD1 4.28Å
369K98Very high96.2Very high111 Ų11150.2 Ų50.248%0.48324%0.241SC..Hα-helixtrans-61.9-43.6178.7-72.7172.2174.5-1780112.4R365 S366 Y367 Q372 R373 I612R365-K369 WeakPolarHBondContact O-CG 3.02Å; R365-K369 PolarHBondContact O-N 3.38Å; R365-K369 VanDerWaalsContact O-N 3.09Å; S366-K369 PolarHBondContact O-N 2.7Å; Y367-K369 VanDerWaalsContact C-N 3.35Å; Y367-K369 PolarHBondContact O-N 3.2Å; K369-Q372 PolarHBondContact O-N 3.36Å; K369-R373 VanDerWaalsContact O-CB 3.26Å; K369-R373 WeakPolarHBondContact O-CB 3.47Å; K369-R373 PolarHBondContact O-N 3.46Å; K369-I612 HydrophobicContact CB-CD1 3.84Å
370A98.4Very high96.3Very high0 Ų050.2 Ų50.20%024%0.241CC..Hα-helixtrans-65.8-46.8-178.100000111.5S366 Y367 R373 A374 I487 L608 F609 I612S366-A370 WeakPolarHBondContact O-CB 3.26Å; S366-A370 PolarHBondContact O-N 2.81Å; Y367-A370 PolarHBondContact O-N 3.49Å; A370-R373 PolarHBondContact O-N 3.28Å; A370-A374 WeakPolarHBondContact O-CB 3.46Å; A370-A374 PolarHBondContact O-N 3.46Å; A370-I487 HydrophobicContact CB-CD1 4.13Å; A370-I487 HydrophobicContact CB-CG2 4.38Å; A370-L608 HydrophobicContact CB-CB 3.51Å; A370-L608 HydrophobicContact CB-CD1 4.06Å; A370-L608 HydrophobicContact CB-CG 4.48Å; A370-F609 HydrophobicContact CB-CB 3.87Å; A370-I612 HydrophobicContact CB-CD1 4.3Å; A370-I612 HydrophobicContact CB-CG2 4.28Å
371I98.5Very high96.4Very high1 Ų156 Ų561%0.00527%0.266CS..Hα-helixtrans-61.2-46.6175.8-66.4165.3000110.5Y367 A374 I375 L393 M396 A397 V455 I487Y367-I371 HydrophobicContact CD1-CD1 4.35Å; Y367-I371 WeakPolarHBondContact O-CB 3.44Å; Y367-I371 WeakPolarHBondContact O-CD1 3.4Å; Y367-I371 VanDerWaalsContact O-CG1 3.24Å; Y367-I371 WeakPolarHBondContact O-CG1 3.49Å; Y367-I371 PolarHBondContact O-N 2.65Å; I371-A374 PolarHBondContact O-N 2.94Å; I371-I375 HydrophobicContact CG2-CD1 3.86Å; I371-I375 WeakPolarHBondContact O-CD1 3.35Å; I371-I375 WeakPolarHBondContact O-CG1 3.3Å; I371-I375 PolarHBondContact O-N 2.9Å; I371-I375 VanDerWaalsContact O-N 3.12Å; I371-L393 HydrophobicContact CD1-CB 4.17Å; I371-L393 HydrophobicContact CD1-CD2 4.18Å; I371-M396 HydrophobicContact CD1-CB 4.04Å; I371-M396 HydrophobicContact CD1-SD 4.22Å; I371-A397 VanDerWaalsContact CG2-CA 3.48Å; I371-A397 HydrophobicContact CG2-CB 3.73Å; I371-V455 HydrophobicContact CD1-CG2 4.1Å; I371-V455 HydrophobicContact CG1-CG2 4.18Å; I371-I487 HydrophobicContact CG1-CD1 4.16Å
372Q98.1Very high96.6Very high78 Ų7854.5 Ų54.536%0.36426%0.256SS..Hα-helixtrans-59.7-52.4178.2178176.1-11.300111.5Q368 K369 A374 I375 E376 A400Q368-Q372 VanDerWaalsContact O-CB 3.22Å; Q368-Q372 WeakPolarHBondContact O-CB 3.24Å; Q368-Q372 PolarHBondContact O-N 3.18Å; K369-Q372 PolarHBondContact O-N 3.36Å; Q372-A374 VanDerWaalsContact C-N 3.32Å; Q372-A374 PolarHBondContact O-N 3.3Å; Q372-I375 PolarHBondContact O-N 3.02Å; Q372-E376 HydrophobicContact CG-CG 4.25Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.46Å; Q372-E376 PolarHBondContact NE2-OE1 3.23Å; Q372-E376 WeakPolarHBondContact O-CG 3.28Å; Q372-E376 PolarHBondContact O-N 2.95Å; Q372-A400 HydrophobicContact CB-CB 4.23Å
373R97.9Very high96.9Very high84 Ų8449.6 Ų49.632%0.31723%0.233SC..Hα-helixtrans-62.9-37.2-178.2-171.3166.6172.8175.3-9.1112.4K369 A370 I375 E376 T377 F609 E610 D611 I612K369-R373 VanDerWaalsContact O-CB 3.26Å; K369-R373 WeakPolarHBondContact O-CB 3.47Å; K369-R373 PolarHBondContact O-N 3.46Å; A370-R373 PolarHBondContact O-N 3.28Å; R373-I375 VanDerWaalsContact C-N 3.32Å; R373-I375 PolarHBondContact O-N 3.2Å; R373-E376 PolarHBondContact O-N 3Å; R373-T377 WeakPolarHBondContact O-CG2 3.39Å; R373-T377 PolarHBondContact O-N 2.83Å; R373-F609 HydrophobicContact CB-CD1 4.33Å; R373-F609 HydrophobicContact CG-CD1 4.17Å; R373-F609 HydrophobicContact CG-CE1 4.29Å; R373-E610 IonicContact CZ-OE2 3.54Å; R373-E610 IonicContact NE-OE2 3.53Å; R373-E610 PolarHBondContact NE-OE2 3.5Å; R373-E610 IonicContact NH2-OE2 2.75Å; R373-E610 PolarHBondContact NH2-OE2 3.1Å; R373-D611 IonicContact CZ-OD1 3.88Å; R373-D611 IonicContact NH1-OD1 3.61Å; R373-D611 PolarHBondContact NH1-OD1 2.88Å; R373-D611 IonicContact NH1-OD2 3.24Å; R373-D611 PolarHBondContact NH1-OD2 3.07Å; R373-D611 IonicContact NH2-OD1 2.94Å; R373-D611 PolarHBondContact NH2-OD1 3.06Å; R373-I612 HydrophobicContact CB-CD1 4.47Å
374A97.7Very high97.1Very high0 Ų048.7 Ų48.70%023%0.23CC..Hα-helixtrans-63.1-36.3173.100000112.7A370 I371 Q372 T377 V380 L453 I487 F609A370-A374 WeakPolarHBondContact O-CB 3.46Å; A370-A374 PolarHBondContact O-N 3.46Å; I371-A374 PolarHBondContact O-N 2.94Å; Q372-A374 VanDerWaalsContact C-N 3.32Å; Q372-A374 PolarHBondContact O-N 3.3Å; A374-T377 WeakPolarHBondContact O-CG2 3.37Å; A374-T377 PolarHBondContact O-OG1 3.34Å; A374-V380 WeakPolarHBondContact O-CG2 3.45Å; A374-L453 HydrophobicContact CB-CD2 4.22Å; A374-I487 HydrophobicContact CB-CD1 4.1Å; A374-F609 HydrophobicContact CB-CD1 4.37Å; A374-F609 HydrophobicContact CB-CD2 3.93Å; A374-F609 HydrophobicContact CB-CE1 4.21Å; A374-F609 HydrophobicContact CB-CE2 3.75Å; A374-F609 HydrophobicContact CB-CG 4.24Å; A374-F609 HydrophobicContact CB-CZ 3.91Å
375I97.5Very high97.2Very high16 Ų1648.6 Ų48.68%0.08223%0.23CC..Hα-helixtrans-76.1-38.6176.4-66.7162.5000111.9I371 Q372 R373 T377 G378 V380 A397 A400 A402I371-I375 HydrophobicContact CG2-CD1 3.86Å; I371-I375 WeakPolarHBondContact O-CD1 3.35Å; I371-I375 WeakPolarHBondContact O-CG1 3.3Å; I371-I375 PolarHBondContact O-N 2.9Å; I371-I375 VanDerWaalsContact O-N 3.12Å; Q372-I375 PolarHBondContact O-N 3.02Å; R373-I375 VanDerWaalsContact C-N 3.32Å; R373-I375 PolarHBondContact O-N 3.2Å; I375-T377 PolarHBondContact O-N 3.41Å; I375-T377 VanDerWaalsContact O-N 3.11Å; I375-G378 PolarHBondContact O-N 2.86Å; I375-V380 HydrophobicContact CG1-CB 4.11Å; I375-V380 HydrophobicContact CG1-CG1 3.85Å; I375-A397 HydrophobicContact CD1-CB 4.3Å; I375-A400 HydrophobicContact CD1-CB 3.67Å; I375-A400 VanDerWaalsContact CG2-O 3.31Å; I375-A400 WeakPolarHBondContact CG2-O 3.41Å; I375-A402 HydrophobicContact CD1-CB 3.98Å
376E96.3Very high97.3Very high129 Ų12942.5 Ų42.560%0.60321%0.207SC*.Hα-helixtrans-61.8-17.2176.1-73.6173.2167.300113.5Q372 R373 G378Q372-E376 HydrophobicContact CG-CG 4.25Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.46Å; Q372-E376 PolarHBondContact NE2-OE1 3.23Å; Q372-E376 WeakPolarHBondContact O-CG 3.28Å; Q372-E376 PolarHBondContact O-N 2.95Å; R373-E376 PolarHBondContact O-N 3Å; E376-G378 PolarHBondContact O-N 3.03Å; E376-G378 VanDerWaalsContact O-N 3.13Å
377T94.9Very high97.3Very high54 Ų5442.9 Ų42.933%0.33121%0.214SC..THydrogen-bonded Turntrans-60.1-16.1167.370.70000114.1R373 A374 I375 R379 F485 F609R373-T377 WeakPolarHBondContact O-CG2 3.39Å; R373-T377 PolarHBondContact O-N 2.83Å; A374-T377 WeakPolarHBondContact O-CG2 3.37Å; A374-T377 PolarHBondContact O-OG1 3.34Å; I375-T377 PolarHBondContact O-N 3.41Å; I375-T377 VanDerWaalsContact O-N 3.11Å; T377-R379 PolarHBondContact O-N 3.5Å; T377-R379 VanDerWaalsContact O-N 3.08Å; T377-R379 WeakPolarHBondContact OG1-CB 3.28Å; T377-R379 PolarHBondContact OG1-N 2.89Å; T377-F485 HydrophobicContact CG2-CE2 4.43Å; T377-F609 HydrophobicContact CG2-CE1 4.41Å; T377-F609 HydrophobicContact CG2-CZ 4.2Å
378G93.6Very high97.2Very high52 Ų5243.1 Ų43.154%0.53622%0.216SC..SBendtrans70.2-5-173.800000114.9I375 E376I375-G378 PolarHBondContact O-N 2.86Å; E376-G378 PolarHBondContact O-N 3.03Å; E376-G378 VanDerWaalsContact O-N 3.13Å
379R95Very high97.1Very high130 Ų13040.4 Ų40.449%0.49121%0.206SC..  trans-79-38.5176.6-67.7170.857.4157.4-4.6111.6T377 K381 N483 F485T377-R379 PolarHBondContact O-N 3.5Å; T377-R379 VanDerWaalsContact O-N 3.08Å; T377-R379 WeakPolarHBondContact OG1-CB 3.28Å; T377-R379 PolarHBondContact OG1-N 2.89Å; R379-K381 PolarHBondContact O-N 3.36Å; R379-N483 PolarHBondContact NH2-O 3.22Å; R379-F485 HydrophobicContact CB-CE2 4.2Å
380V97Very high97.1Very high6 Ų635.4 Ų35.44%0.03618%0.184CC..  trans-83.2116-177.3-179.60000110.7A374 I375 V383 D452 L453 F485A374-V380 WeakPolarHBondContact O-CG2 3.45Å; I375-V380 HydrophobicContact CG1-CB 4.11Å; I375-V380 HydrophobicContact CG1-CG1 3.85Å; V380-V383 HydrophobicContact CG1-CG2 3.73Å; V380-D452 HydrophobicContact CB-CB 4.23Å; V380-D452 HydrophobicContact CG1-CB 4.16Å; V380-D452 HydrophobicContact CG2-CB 4.28Å; V380-L453 HydrophobicContact CB-CB 4.42Å; V380-L453 HydrophobicContact CG1-CB 3.57Å; V380-L453 HydrophobicContact CG1-CD2 4.11Å; V380-L453 HydrophobicContact CG2-CB 3.9Å; V380-F485 HydrophobicContact CG2-CD2 3.71Å; V380-F485 HydrophobicContact CG2-CE2 4.2Å
381K95.5Very high97Very high131 Ų13135.4 Ų35.457%0.5718%0.184SC*.  trans-116.6-24.5171.7-65.1170.2-173.9169.60111.6R379 K403 T404 D452R379-K381 PolarHBondContact O-N 3.36Å; K381-K403 WeakPolarHBondContact O-CB 3.36Å; K381-K403 PolarHBondContact O-N 3.05Å; K381-T404 PolarHBondContact O-N 3.14Å; K381-D452 PolarHBondContact N-OD2 3.33Å
382T97.6Very high97Very high11 Ų1135.7 Ų35.77%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-131.4124.8-171.559.30000109.5T404 F449 D452 L453 K481T382-T404 WeakPolarHBondContact CA-O 3.36Å; T382-F449 HydrophobicContact CG2-CD2 3.8Å; T382-F449 HydrophobicContact CG2-CE2 3.23Å; T382-F449 HydrophobicContact CG2-CZ 3.79Å; T382-D452 WeakPolarHBondContact CB-OD2 3.39Å; T382-D452 PolarHBondContact N-OD2 3.07Å; T382-D452 WeakPolarHBondContact O-CB 3.44Å; T382-D452 PolarHBondContact O-N 3.23Å; T382-D452 PolarHBondContact OG1-N 3.13Å; T382-D452 VanDerWaalsContact OG1-N 3.12Å; T382-D452 PolarHBondContact OG1-OD2 2.7Å; T382-L453 PolarHBondContact O-N 2.98Å; T382-K481 PolarHBondContact OG1-NZ 3.49Å
383V98.6Very high97Very high0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans-117.3146.3-175-176.70000109.5V380 A397 A402 T404 V405 Y406 L453 V455V380-V383 HydrophobicContact CG1-CG2 3.73Å; V383-A397 HydrophobicContact CB-CB 4.43Å; V383-A397 HydrophobicContact CG1-CB 4.19Å; V383-A397 HydrophobicContact CG2-CB 4.21Å; V383-A402 HydrophobicContact CG2-CB 3.71Å; V383-T404 PolarHBondContact N-O 3.21Å; V383-V405 HydrophobicContact CB-CG1 4.29Å; V383-V405 HydrophobicContact CB-CG2 4.34Å; V383-V405 HydrophobicContact CG1-CG1 4.46Å; V383-Y406 PolarHBondContact O-N 3.25Å; V383-L453 CarbonylContact C-O 3.55Å; V383-L453 WeakPolarHBondContact CA-O 3.5Å; V383-L453 HydrophobicContact CG1-CD2 4.2Å; V383-L453 HydrophobicContact CG1-CG 4.28Å; V383-L453 HydrophobicContact CG2-CB 4.29Å; V383-L453 HydrophobicContact CG2-CD2 4.13Å; V383-V455 HydrophobicContact CG1-CG1 4.04Å
384L98.7Very high97Very high0 Ų028.4 Ų28.40%016%0.156CC..EExtended strand (participates in β ladder)trans-121.4119.5166.3173.362.5000109.2I386 Y406 L441 M447 A451 L453 I454 V455 L479L384-I386 HydrophobicContact CD1-CG1 4.39Å; L384-I386 HydrophobicContact CD2-CD1 3.88Å; L384-I386 HydrophobicContact CD2-CG1 3.95Å; L384-I386 HydrophobicContact CG-CD1 4.21Å; L384-I386 HydrophobicContact CG-CG1 3.75Å; L384-Y406 CarbonylContact C-O 3.55Å; L384-Y406 WeakPolarHBondContact CA-O 3.46Å; L384-L441 HydrophobicContact CD1-CD1 3.86Å; L384-L441 HydrophobicContact CD2-CD1 4.3Å; L384-M447 HydrophobicContact CB-CE 4.07Å; L384-M447 HydrophobicContact CD1-CE 4.19Å; L384-M447 HydrophobicContact CD1-SD 4.19Å; L384-M447 HydrophobicContact CD2-CE 3.94Å; L384-M447 HydrophobicContact CD2-SD 4.02Å; L384-M447 HydrophobicContact CG-CE 4.29Å; L384-A451 HydrophobicContact CB-CB 3.83Å; L384-L453 PolarHBondContact N-O 3.24Å; L384-I454 HydrophobicContact CB-CG1 4.14Å; L384-I454 HydrophobicContact CD2-CG1 4.18Å; L384-I454 HydrophobicContact CG-CG1 4.44Å; L384-I454 CarbonylContact O-C 3.54Å; L384-I454 WeakPolarHBondContact O-CA 3.44Å; L384-V455 PolarHBondContact O-N 3.03Å; L384-L479 HydrophobicContact CD2-CB 3.84Å; L384-L479 HydrophobicContact CD2-CD1 3.61Å; L384-L479 HydrophobicContact CD2-CG 4.36Å
385D98.7Very high97Very high0 Ų028.4 Ų28.40%016%0.156CC..EExtended strand (participates in β ladder)trans-98.4113.4176.2-172.45.6000109C388 S394 Y406 A407 C408 V455D385-C388 HydrophobicContact CB-CB 4.17Å; D385-C388 VanDerWaalsContact CG-CB 3.45Å; D385-C388 VanDerWaalsContact OD2-CB 3.29Å; D385-C388 WeakPolarHBondContact OD2-CB 3.39Å; D385-S394 WeakPolarHBondContact CB-OG 3.36Å; D385-S394 VanDerWaalsContact CG-OG 3.3Å; D385-S394 WeakPolarHBondContact OD2-CB 3.36Å; D385-S394 PolarHBondContact OD2-N 2.91Å; D385-S394 PolarHBondContact OD2-OG 2.79Å; D385-Y406 PolarHBondContact N-O 2.67Å; D385-A407 HydrophobicContact CB-CB 4.2Å; D385-A407 CarbonylContact O-C 3.54Å; D385-A407 WeakPolarHBondContact O-CA 3.28Å; D385-C408 PolarHBondContact O-N 3.01Å; D385-V455 WeakPolarHBondContact CA-O 3.46Å; D385-V455 HydrophobicContact CB-CG1 3.91Å
386I98.4Very high97Very high4 Ų427.9 Ų27.92%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-108.6120-174.2-54.1179.6000110L384 I454 V455 T456 L458 T471 A475L384-I386 HydrophobicContact CD1-CG1 4.39Å; L384-I386 HydrophobicContact CD2-CD1 3.88Å; L384-I386 HydrophobicContact CD2-CG1 3.95Å; L384-I386 HydrophobicContact CG-CD1 4.21Å; L384-I386 HydrophobicContact CG-CG1 3.75Å; I386-I454 HydrophobicContact CD1-CD1 4.27Å; I386-I454 HydrophobicContact CD1-CG1 4.34Å; I386-I454 HydrophobicContact CD1-CG2 3.81Å; I386-I454 HydrophobicContact CG1-CG2 4.27Å; I386-V455 PolarHBondContact N-O 2.81Å; I386-T456 WeakPolarHBondContact O-CB 3.27Å; I386-T456 PolarHBondContact O-OG1 2.96Å; I386-L458 HydrophobicContact CG2-CD1 4.18Å; I386-T471 HydrophobicContact CG2-CG2 3.77Å; I386-A475 HydrophobicContact CD1-CB 3.66Å
387G96.7Very high97.1Very high27 Ų2721.8 Ų21.828%0.27812%0.124SC..SBendtrans77.346.4-169.500000110.4G389 C408G387-G389 PolarHBondContact O-N 3.2Å; G387-G389 VanDerWaalsContact O-N 3.12Å; G387-C408 PolarHBondContact N-O 2.86Å
388C97.1Very high97.2Very high5 Ų520.2 Ų20.23%0.03412%0.116CC..  trans-68.2-15.3-164.571.60000114.3D385 T390 G391 A407 C408D385-C388 HydrophobicContact CB-CB 4.17Å; D385-C388 VanDerWaalsContact CG-CB 3.45Å; D385-C388 VanDerWaalsContact OD2-CB 3.29Å; D385-C388 WeakPolarHBondContact OD2-CB 3.39Å; C388-T390 PolarHBondContact O-N 3.31Å; C388-G391 WeakPolarHBondContact O-CA 3.43Å; C388-G391 PolarHBondContact O-N 3.1Å; C388-A407 HydrophobicContact CB-CB 3.94Å; C388-C408 PolarHBondContact N-O 3.08Å; C388-C408 VanDerWaalsContact N-O 3.15Å
389G95.7Very high97.4Very high10 Ų1023.7 Ų23.710%0.10312%0.116CC..THydrogen-bonded Turntrans59-108177.100000112.3G387 G391 E409G387-G389 PolarHBondContact O-N 3.2Å; G387-G389 VanDerWaalsContact O-N 3.12Å; G389-G391 VanDerWaalsContact C-N 3.32Å; G389-E409 WeakPolarHBondContact CA-OE2 3.05Å; G389-E409 PolarHBondContact N-OE2 3.04Å
390T96.3Very high97.4Very high5 Ų518.9 Ų18.93%0.03110%0.104CC..THydrogen-bonded Turntrans-85.83.2174.956.80000114.3L358 C388 I392 M414 I417 V421 V839 I843L358-T390 HydrophobicContact CD1-CG2 4Å; C388-T390 PolarHBondContact O-N 3.31Å; T390-I392 VanDerWaalsContact C-N 3.29Å; T390-I392 PolarHBondContact O-N 3.18Å; T390-M414 HydrophobicContact CG2-CE 3.93Å; T390-I417 HydrophobicContact CG2-CG2 4.28Å; T390-V421 WeakPolarHBondContact O-CG1 3.31Å; T390-V839 HydrophobicContact CG2-CG1 3.95Å; T390-I843 HydrophobicContact CG2-CD1 3.96Å
391G97.3Very high97.3Very high0 Ų021.2 Ų21.20%013%0.129CC..THydrogen-bonded Turntrans74.213.8-17500000114.2C388 G389 L393 S394 M395C388-G391 WeakPolarHBondContact O-CA 3.43Å; C388-G391 PolarHBondContact O-N 3.1Å; G389-G391 VanDerWaalsContact C-N 3.32Å; G391-L393 PolarHBondContact O-N 3.17Å; G391-S394 WeakPolarHBondContact O-CB 3.49Å; G391-S394 PolarHBondContact O-N 3.02Å; G391-M395 WeakPolarHBondContact O-CG 3.37Å; G391-M395 PolarHBondContact O-N 3.24Å
392I97.6Very high97.4Very high7 Ų715.3 Ų15.34%0.03611%0.105CC..Hα-helixtrans-62.5-40.5-174.6-162.3-177.6000112.7L358 T390 M395 M396 T834 F837L358-I392 HydrophobicContact CD2-CD1 4.16Å; L358-I392 HydrophobicContact CD2-CG2 4.39Å; T390-I392 VanDerWaalsContact C-N 3.29Å; T390-I392 PolarHBondContact O-N 3.18Å; I392-M395 HydrophobicContact CB-CE 4.48Å; I392-M395 HydrophobicContact CG1-CE 4.45Å; I392-M395 PolarHBondContact O-N 3.39Å; I392-M396 HydrophobicContact CD1-CE 3.97Å; I392-M396 HydrophobicContact CG1-CE 3.93Å; I392-M396 WeakPolarHBondContact O-CG 3.25Å; I392-M396 PolarHBondContact O-N 2.95Å; I392-T834 HydrophobicContact CD1-CG2 3.7Å; I392-F837 HydrophobicContact CG1-CD2 4.03Å
393L98.3Very high97.2Very high10 Ų1022.9 Ų22.95%0.05214%0.137CC..Hα-helixtrans-68.3-41.3177.6-56.6-175.2000111Y367 I371 G391 M395 M396 A397 V455 E457Y367-L393 HydrophobicContact CD1-CD1 3.89Å; Y367-L393 HydrophobicContact CD1-CD2 3.76Å; Y367-L393 HydrophobicContact CD1-CG 4.47Å; Y367-L393 HydrophobicContact CE1-CD1 3.97Å; Y367-L393 HydrophobicContact CG-CD2 3.85Å; I371-L393 HydrophobicContact CD1-CB 4.17Å; I371-L393 HydrophobicContact CD1-CD2 4.18Å; G391-L393 PolarHBondContact O-N 3.17Å; L393-M395 VanDerWaalsContact C-N 3.31Å; L393-M395 PolarHBondContact O-N 3.29Å; L393-M396 HydrophobicContact CD2-CE 4.2Å; L393-M396 HydrophobicContact CD2-SD 3.95Å; L393-M396 WeakPolarHBondContact O-CB 3.27Å; L393-M396 PolarHBondContact O-N 3.12Å; L393-A397 PolarHBondContact O-N 2.8Å; L393-V455 HydrophobicContact CB-CG1 4.38Å; L393-V455 HydrophobicContact CB-CG2 4.5Å; L393-V455 HydrophobicContact CD1-CG2 4.02Å; L393-E457 HydrophobicContact CD1-CB 4.03Å
394S98.4Very high97.2Very high0 Ų024.1 Ų24.10%015%0.145CC..Hα-helixtrans-55.7-42.1169.1-72.40000113.5D385 G391 A397 S398 V405 A407D385-S394 WeakPolarHBondContact CB-OG 3.36Å; D385-S394 VanDerWaalsContact CG-OG 3.3Å; D385-S394 WeakPolarHBondContact OD2-CB 3.36Å; D385-S394 PolarHBondContact OD2-N 2.91Å; D385-S394 PolarHBondContact OD2-OG 2.79Å; G391-S394 WeakPolarHBondContact O-CB 3.49Å; G391-S394 PolarHBondContact O-N 3.02Å; S394-A397 PolarHBondContact O-N 2.91Å; S394-S398 PolarHBondContact O-N 3.19Å; S394-V405 WeakPolarHBondContact OG-CG1 3.42Å; S394-A407 WeakPolarHBondContact OG-CB 3.43Å
395M98.1Very high97.1Very high0 Ų024.1 Ų24.10%015%0.145CC..Hα-helixtrans-70.1-35.7176.7-68.9-168.5-6600112.6G391 I392 L393 S398 K399 V421 I422 N425 L427 I431 F837 V839G391-M395 WeakPolarHBondContact O-CG 3.37Å; G391-M395 PolarHBondContact O-N 3.24Å; I392-M395 HydrophobicContact CB-CE 4.48Å; I392-M395 HydrophobicContact CG1-CE 4.45Å; I392-M395 PolarHBondContact O-N 3.39Å; L393-M395 VanDerWaalsContact C-N 3.31Å; L393-M395 PolarHBondContact O-N 3.29Å; M395-S398 PolarHBondContact O-N 3.18Å; M395-K399 PolarHBondContact O-N 3.41Å; M395-V421 HydrophobicContact CE-CG1 3.38Å; M395-V421 HydrophobicContact SD-CG1 3.94Å; M395-I422 HydrophobicContact CG-CG1 3.81Å; M395-I422 HydrophobicContact SD-CG1 4.14Å; M395-N425 HydrophobicContact SD-CB 3.67Å; M395-L427 HydrophobicContact CB-CD1 3.75Å; M395-L427 HydrophobicContact CG-CD1 3.75Å; M395-L427 HydrophobicContact SD-CD1 4.16Å; M395-I431 HydrophobicContact CG-CD1 3.95Å; M395-F837 HydrophobicContact CB-CD1 3.91Å; M395-F837 HydrophobicContact CB-CE1 3.48Å; M395-F837 VanDerWaalsContact CB-CE1 3.48Å; M395-F837 HydrophobicContact CB-CE2 4.32Å; M395-F837 HydrophobicContact CB-CG 4.48Å; M395-F837 HydrophobicContact CB-CZ 3.72Å; M395-F837 HydrophobicContact CE-CB 3.79Å; M395-F837 HydrophobicContact CE-CD1 3.89Å; M395-F837 HydrophobicContact CE-CG 3.84Å; M395-F837 HydrophobicContact CG-CE1 4.42Å; M395-F837 HydrophobicContact SD-CD1 3.83Å; M395-F837 HydrophobicContact SD-CE1 4.3Å; M395-F837 HydrophobicContact SD-CG 4.4Å; M395-V839 HydrophobicContact CE-CG2 4.32Å
396M97.9Very high97.1Very high5 Ų524.7 Ų24.73%0.02515%0.147CC..Hα-helixtrans-60-47.9169.9-67.2177.6-164.800110.7N364 Q368 I371 I392 L393 S398 K399 A400 L835 F837N364-M396 HydrophobicContact CB-CE 4.25Å; N364-M396 WeakPolarHBondContact O-CE 2.99Å; Q368-M396 VanDerWaalsContact CA-SD 3.52Å; Q368-M396 HydrophobicContact CB-CE 4.5Å; Q368-M396 HydrophobicContact CB-CG 4.37Å; Q368-M396 HydrophobicContact CB-SD 3.71Å; Q368-M396 HydrophobicContact CG-CG 4.46Å; Q368-M396 HydrophobicContact CG-SD 4.42Å; Q368-M396 PolarHBondContact N-SD 2.98Å; I371-M396 HydrophobicContact CD1-CB 4.04Å; I371-M396 HydrophobicContact CD1-SD 4.22Å; I392-M396 HydrophobicContact CD1-CE 3.97Å; I392-M396 HydrophobicContact CG1-CE 3.93Å; I392-M396 WeakPolarHBondContact O-CG 3.25Å; I392-M396 PolarHBondContact O-N 2.95Å; L393-M396 HydrophobicContact CD2-CE 4.2Å; L393-M396 HydrophobicContact CD2-SD 3.95Å; L393-M396 WeakPolarHBondContact O-CB 3.27Å; L393-M396 PolarHBondContact O-N 3.12Å; M396-S398 PolarHBondContact O-N 3.3Å; M396-K399 PolarHBondContact O-N 3.39Å; M396-A400 VanDerWaalsContact O-CB 3.31Å; M396-A400 WeakPolarHBondContact O-CB 3.17Å; M396-A400 PolarHBondContact O-N 2.93Å; M396-L835 HydrophobicContact CE-CD1 4.04Å; M396-F837 HydrophobicContact CG-CE2 3.82Å; M396-F837 HydrophobicContact CG-CZ 4.41Å
397A98.1Very high97.1Very high0 Ų024.5 Ų24.50%015%0.146CC..Hα-helixtrans-60.7-43.6177.700000112.4I371 I375 V383 L393 S394 A400 G401 A402 V405I371-A397 VanDerWaalsContact CG2-CA 3.48Å; I371-A397 HydrophobicContact CG2-CB 3.73Å; I375-A397 HydrophobicContact CD1-CB 4.3Å; V383-A397 HydrophobicContact CB-CB 4.43Å; V383-A397 HydrophobicContact CG1-CB 4.19Å; V383-A397 HydrophobicContact CG2-CB 4.21Å; L393-A397 PolarHBondContact O-N 2.8Å; S394-A397 PolarHBondContact O-N 2.91Å; A397-A400 PolarHBondContact O-N 2.96Å; A397-G401 PolarHBondContact O-N 3.32Å; A397-A402 HydrophobicContact CB-CB 4.28Å; A397-A402 WeakPolarHBondContact O-CB 3.48Å; A397-A402 PolarHBondContact O-N 2.99Å; A397-V405 HydrophobicContact CB-CG2 3.97Å
398S97.3Very high97.2Very high22 Ų2223.3 Ų23.315%0.15413%0.133CC..Hα-helixtrans-66-40.8177.5-167.10000112.5S394 M395 M396 G401S394-S398 PolarHBondContact O-N 3.19Å; M395-S398 PolarHBondContact O-N 3.18Å; M396-S398 PolarHBondContact O-N 3.3Å; S398-G401 PolarHBondContact O-N 3.47Å
399K96.2Very high97.2Very high124 Ų12424 Ų2454%0.53914%0.136SC..Hα-helixtrans-70.1-30175.2-80.4-166.9-178.71610113.1M395 M396 G401 L427 F837M395-K399 PolarHBondContact O-N 3.41Å; M396-K399 PolarHBondContact O-N 3.39Å; K399-G401 PolarHBondContact O-N 3.49Å; K399-L427 HydrophobicContact CG-CD1 4.25Å; K399-L427 HydrophobicContact CG-CD2 4.37Å; K399-F837 HydrophobicContact CD-CE1 3.53Å; K399-F837 HydrophobicContact CD-CZ 3.66Å; K399-F837 HydrophobicContact CG-CE1 4.12Å; K399-F837 HydrophobicContact CG-CZ 4.2Å
400A96.5Very high97.1Very high30 Ų3027.7 Ų27.725%0.24816%0.159CC..THydrogen-bonded Turntrans-73.1-6.4173.600000113.9Q372 I375 M396 A397Q372-A400 HydrophobicContact CB-CB 4.23Å; I375-A400 HydrophobicContact CD1-CB 3.67Å; I375-A400 VanDerWaalsContact CG2-O 3.31Å; I375-A400 WeakPolarHBondContact CG2-O 3.41Å; M396-A400 VanDerWaalsContact O-CB 3.31Å; M396-A400 WeakPolarHBondContact O-CB 3.17Å; M396-A400 PolarHBondContact O-N 2.93Å; A397-A400 PolarHBondContact O-N 2.96Å
401G95.4Very high96.8Very high54 Ų5430.2 Ų30.256%0.55717%0.172SC*.THydrogen-bonded Turntrans103.413.717400000115.6A397 S398 K399 K403A397-G401 PolarHBondContact O-N 3.32Å; S398-G401 PolarHBondContact O-N 3.47Å; K399-G401 PolarHBondContact O-N 3.49Å; G401-K403 PolarHBondContact O-N 2.61Å
402A96.4Very high96.4Very high7 Ų734 Ų346%0.05820%0.199CC..  trans-58.6128.616900000110.5I375 V383 A397 V405I375-A402 HydrophobicContact CD1-CB 3.98Å; V383-A402 HydrophobicContact CG2-CB 3.71Å; A397-A402 HydrophobicContact CB-CB 4.28Å; A397-A402 WeakPolarHBondContact O-CB 3.48Å; A397-A402 PolarHBondContact O-N 2.99Å; A402-V405 HydrophobicContact CB-CG2 3.83Å
403K94.5Very high96Very high170 Ų17035.5 Ų35.574%0.73921%0.207SC*.SBendtrans-75.4-26.8-176.9179.9171.9179.2175.80112.9K381 G401K381-K403 WeakPolarHBondContact O-CB 3.36Å; K381-K403 PolarHBondContact O-N 3.05Å; G401-K403 PolarHBondContact O-N 2.61Å
404T96.9Very high95.8Very high27 Ų2735.1 Ų35.117%0.16621%0.205CC..EExtended strand (participates in β ladder)trans-151.7125.2175.4-52.80000108.8K381 T382 V383 Y406 I432 F449K381-T404 PolarHBondContact O-N 3.14Å; T382-T404 WeakPolarHBondContact CA-O 3.36Å; V383-T404 PolarHBondContact N-O 3.21Å; T404-Y406 HydrophobicContact CG2-CE1 4.38Å; T404-Y406 HydrophobicContact CG2-CE2 4.01Å; T404-I432 HydrophobicContact CG2-CD1 4.34Å; T404-F449 HydrophobicContact CG2-CE2 4.42Å; T404-F449 HydrophobicContact CG2-CZ 4.35Å
405V98.4Very high95.7Very high0 Ų035.1 Ų35.10%021%0.205CC..EExtended strand (participates in β ladder)trans-111.9120.8173.7-174.10000108V383 S394 A397 A402 G430 I431 I432V383-V405 HydrophobicContact CB-CG1 4.29Å; V383-V405 HydrophobicContact CB-CG2 4.34Å; V383-V405 HydrophobicContact CG1-CG1 4.46Å; S394-V405 WeakPolarHBondContact OG-CG1 3.42Å; A397-V405 HydrophobicContact CB-CG2 3.97Å; A402-V405 HydrophobicContact CB-CG2 3.83Å; V405-G430 PolarHBondContact N-O 3.16Å; V405-I431 HydrophobicContact CB-CB 4.42Å; V405-I431 HydrophobicContact CB-CG1 4.15Å; V405-I431 HydrophobicContact CB-CG2 4.19Å; V405-I431 HydrophobicContact CG1-CG2 4.24Å; V405-I431 HydrophobicContact CG2-CG1 4.42Å; V405-I431 CarbonylContact O-C 3.49Å; V405-I431 WeakPolarHBondContact O-CA 3.38Å; V405-I432 PolarHBondContact O-N 2.71Å
406Y98.3Very high95.5Very high12 Ų1239.9 Ų39.95%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-90.3141.1162.6-65-69.2000108.2V383 L384 D385 T404 I432 M447 R448 F449V383-Y406 PolarHBondContact O-N 3.25Å; L384-Y406 CarbonylContact C-O 3.55Å; L384-Y406 WeakPolarHBondContact CA-O 3.46Å; D385-Y406 PolarHBondContact N-O 2.67Å; T404-Y406 HydrophobicContact CG2-CE1 4.38Å; T404-Y406 HydrophobicContact CG2-CE2 4.01Å; Y406-I432 HydrophobicContact CD1-CB 3.98Å; Y406-I432 HydrophobicContact CD1-CD1 4.28Å; Y406-I432 HydrophobicContact CD1-CG2 4.22Å; Y406-I432 HydrophobicContact CE1-CB 4.25Å; Y406-I432 HydrophobicContact CE1-CD1 3.69Å; Y406-I432 HydrophobicContact CE1-CG2 4.38Å; Y406-M447 HydrophobicContact CD1-CB 4.44Å; Y406-M447 HydrophobicContact CD1-CG 4.06Å; Y406-M447 HydrophobicContact CD2-CB 4.22Å; Y406-M447 HydrophobicContact CD2-CE 3.65Å; Y406-M447 HydrophobicContact CD2-CG 4.01Å; Y406-M447 HydrophobicContact CE1-CB 4.37Å; Y406-M447 HydrophobicContact CE1-CG 4.48Å; Y406-M447 HydrophobicContact CE2-CB 4.11Å; Y406-M447 HydrophobicContact CE2-CE 4.33Å; Y406-M447 HydrophobicContact CE2-CG 4.4Å; Y406-M447 HydrophobicContact CG-CB 4.39Å; Y406-M447 HydrophobicContact CG-CE 4.15Å; Y406-M447 HydrophobicContact CG-CG 3.83Å; Y406-R448 VanDerWaalsContact OH-CB 3.26Å; Y406-R448 WeakPolarHBondContact OH-CB 3.48Å; Y406-R448 PolarHBondContact OH-N 3.44Å; Y406-F449 HydrophobicContact CE2-CD2 4.01Å; Y406-F449 AromaticContact CE2-CE2 3.63Å; Y406-F449 HydrophobicContact CE2-CE2 3.63Å; Y406-F449 HydrophobicContact CE2-CZ 4.49Å
407A98.3Very high95.4Very high0 Ų039.7 Ų39.70%023%0.227CC..EExtended strand (participates in β ladder)trans-131.6136.9175.300000108.8D385 C388 S394 I432 V433 R434D385-A407 HydrophobicContact CB-CB 4.2Å; D385-A407 CarbonylContact O-C 3.54Å; D385-A407 WeakPolarHBondContact O-CA 3.28Å; C388-A407 HydrophobicContact CB-CB 3.94Å; S394-A407 WeakPolarHBondContact OG-CB 3.43Å; A407-I432 PolarHBondContact N-O 2.75Å; A407-V433 HydrophobicContact CB-CG2 4.22Å; A407-V433 CarbonylContact O-C 3.55Å; A407-V433 WeakPolarHBondContact O-CA 3.47Å; A407-R434 PolarHBondContact O-N 3.42Å
408C98Very high95.4Very high2 Ų239.7 Ų39.71%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-128.5138.2172.662.10000112.1D385 G387 C388 R434 L441D385-C408 PolarHBondContact O-N 3.01Å; G387-C408 PolarHBondContact N-O 2.86Å; C388-C408 PolarHBondContact N-O 3.08Å; C388-C408 VanDerWaalsContact N-O 3.15Å; C408-R434 WeakPolarHBondContact CA-O 3.33Å; C408-L441 HydrophobicContact CB-CD1 3.84Å; C408-L441 HydrophobicContact CB-CD2 4.22Å; C408-L441 HydrophobicContact CB-CG 4.27Å
409E97.3Very high95.4Very high19 Ų1943.2 Ų43.29%0.08924%0.239CC..EExtended strand (participates in β ladder)trans-142130.6-179.6175.650.9-106.500107.7G389 N411 M414 A415 R434 S435 L436G389-E409 WeakPolarHBondContact CA-OE2 3.05Å; G389-E409 PolarHBondContact N-OE2 3.04Å; E409-N411 WeakPolarHBondContact CG-O 3.37Å; E409-N411 PolarHBondContact OE1-N 3.32Å; E409-M414 HydrophobicContact CG-CB 3.65Å; E409-A415 HydrophobicContact CB-CB 3.91Å; E409-A415 HydrophobicContact CG-CB 4Å; E409-R434 PolarHBondContact N-O 3.26Å; E409-R434 VanDerWaalsContact N-O 3.1Å; E409-S435 CarbonylContact O-C 3.58Å; E409-S435 VanDerWaalsContact O-CA 3.28Å; E409-S435 WeakPolarHBondContact O-CA 3.41Å; E409-L436 CarbonylContact C-O 3.52Å; E409-L436 PolarHBondContact O-N 2.95Å
410C93Very high95.4Very high88 Ų8840.6 Ų40.660%0.59523%0.229SC*.SBendtrans-85.6-28.8-176.763.80000111.9S412C410-S412 PolarHBondContact O-N 3.26Å
411N90.2Very high95.5Very high57 Ų5739.2 Ų39.231%0.30522%0.217SC..SBendtrans-75.9110.9172.3178.2-44.3000109.5F349 E409 L413 M414 A415F349-N411 PolarHBondContact O-ND2 3.44Å; E409-N411 WeakPolarHBondContact CG-O 3.37Å; E409-N411 PolarHBondContact OE1-N 3.32Å; N411-L413 PolarHBondContact O-N 3.04Å; N411-L413 WeakPolarHBondContact OD1-CA 3.34Å; N411-L413 WeakPolarHBondContact OD1-CB 3.2Å; N411-L413 PolarHBondContact OD1-N 3.21Å; N411-M414 HydrophobicContact CB-CB 4.09Å; N411-M414 HydrophobicContact CB-CG 4.11Å; N411-M414 PolarHBondContact O-N 2.68Å; N411-M414 VanDerWaalsContact O-N 3.14Å; N411-M414 PolarHBondContact OD1-N 3.22Å; N411-A415 WeakPolarHBondContact O-CB 3.35Å; N411-A415 PolarHBondContact O-N 3.28Å
412S89.7Confident95.6Very high81 Ų8136.8 Ų36.857%0.56619%0.191SC*.THydrogen-bonded Turntrans-62.1-27.4-174.5560000114.4C410 Q416 S435C410-S412 PolarHBondContact O-N 3.26Å; S412-Q416 PolarHBondContact O-N 3.46Å; S412-Q416 VanDerWaalsContact O-N 3.11Å; S412-S435 WeakPolarHBondContact CA-OG 3.48Å; S412-S435 WeakPolarHBondContact CB-OG 3.45Å
413L88.7Confident95.6Very high37 Ų3740.9 Ų40.919%0.19421%0.212CC..THydrogen-bonded Turntrans-74.4-45.2174.1-178.368000111.5F349 V350 N411 A415 Q416 I417 Y846F349-L413 HydrophobicContact CB-CD2 3.69Å; F349-L413 HydrophobicContact CG-CD2 4.34Å; V350-L413 HydrophobicContact CG2-CD2 4.3Å; N411-L413 PolarHBondContact O-N 3.04Å; N411-L413 WeakPolarHBondContact OD1-CA 3.34Å; N411-L413 WeakPolarHBondContact OD1-CB 3.2Å; N411-L413 PolarHBondContact OD1-N 3.21Å; L413-A415 VanDerWaalsContact C-N 3.28Å; L413-A415 PolarHBondContact O-N 3.16Å; L413-Q416 WeakPolarHBondContact O-CA 3.27Å; L413-Q416 WeakPolarHBondContact O-CB 3.21Å; L413-Q416 PolarHBondContact O-N 3.25Å; L413-I417 HydrophobicContact CG-CD1 4.04Å; L413-I417 WeakPolarHBondContact O-CG1 3.29Å; L413-I417 PolarHBondContact O-N 2.79Å; L413-Y846 HydrophobicContact CD2-CD1 4.46Å; L413-Y846 HydrophobicContact CD2-CE1 3.87Å
414M93.9Very high95.7Very high3 Ų334.9 Ų34.92%0.01519%0.188CC..Hα-helixtrans-61.6-39.9173.6-67.7-58.2-59.200110.8V350 T390 E409 N411 Q416 I417 A418V350-M414 HydrophobicContact CG1-SD 4.08Å; V350-M414 HydrophobicContact CG2-SD 3.92Å; T390-M414 HydrophobicContact CG2-CE 3.93Å; E409-M414 HydrophobicContact CG-CB 3.65Å; N411-M414 HydrophobicContact CB-CB 4.09Å; N411-M414 HydrophobicContact CB-CG 4.11Å; N411-M414 PolarHBondContact O-N 2.68Å; N411-M414 VanDerWaalsContact O-N 3.14Å; N411-M414 PolarHBondContact OD1-N 3.22Å; M414-Q416 PolarHBondContact O-N 2.6Å; M414-I417 PolarHBondContact O-N 2.63Å; M414-I417 HydrophobicContact SD-CD1 3.97Å; M414-A418 WeakPolarHBondContact O-CB 3.26Å; M414-A418 PolarHBondContact O-N 2.75Å
415A95.8Very high95.7Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-64.4-20.8173.100000113.9E409 N411 L413 K419 V433E409-A415 HydrophobicContact CB-CB 3.91Å; E409-A415 HydrophobicContact CG-CB 4Å; N411-A415 WeakPolarHBondContact O-CB 3.35Å; N411-A415 PolarHBondContact O-N 3.28Å; L413-A415 VanDerWaalsContact C-N 3.28Å; L413-A415 PolarHBondContact O-N 3.16Å; A415-K419 VanDerWaalsContact O-CD 3.26Å; A415-K419 WeakPolarHBondContact O-CD 3.25Å; A415-K419 WeakPolarHBondContact O-CE 3.47Å; A415-K419 WeakPolarHBondContact O-CG 3.49Å; A415-V433 HydrophobicContact CB-CG1 4.46Å
416Q95Very high95.6Very high99 Ų9941.9 Ų41.946%0.46322%0.22SC..Hα-helixtrans-81.9-50.6168177.7178.1-28.500110.9S412 L413 M414 A418 K419 E420S412-Q416 PolarHBondContact O-N 3.46Å; S412-Q416 VanDerWaalsContact O-N 3.11Å; L413-Q416 WeakPolarHBondContact O-CA 3.27Å; L413-Q416 WeakPolarHBondContact O-CB 3.21Å; L413-Q416 PolarHBondContact O-N 3.25Å; M414-Q416 PolarHBondContact O-N 2.6Å; Q416-A418 PolarHBondContact O-N 3.1Å; Q416-K419 WeakPolarHBondContact O-CB 3.25Å; Q416-K419 PolarHBondContact O-N 3.2Å; Q416-E420 HydrophobicContact CG-CG 4.41Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.41Å; Q416-E420 PolarHBondContact NE2-OE1 2.75Å; Q416-E420 PolarHBondContact O-N 3.43Å
417I95Very high95.3Very high2 Ų242.7 Ų42.71%0.0123%0.225CC..Hα-helixtrans-52.4-44.3177.8-69.9166.8000110.4V350 T390 L413 M414 K419 E420 V421 H842 Y846V350-I417 HydrophobicContact CG2-CD1 4.01Å; T390-I417 HydrophobicContact CG2-CG2 4.28Å; L413-I417 HydrophobicContact CG-CD1 4.04Å; L413-I417 WeakPolarHBondContact O-CG1 3.29Å; L413-I417 PolarHBondContact O-N 2.79Å; M414-I417 PolarHBondContact O-N 2.63Å; M414-I417 HydrophobicContact SD-CD1 3.97Å; I417-K419 PolarHBondContact O-N 2.95Å; I417-E420 PolarHBondContact O-N 3.12Å; I417-V421 HydrophobicContact CG2-CG2 4.19Å; I417-V421 VanDerWaalsContact O-CB 3.31Å; I417-V421 WeakPolarHBondContact O-CB 3.14Å; I417-V421 VanDerWaalsContact O-CG2 3.24Å; I417-V421 WeakPolarHBondContact O-CG2 3.27Å; I417-V421 PolarHBondContact O-N 2.77Å; I417-H842 HydrophobicContact CG2-CB 4.11Å; I417-Y846 HydrophobicContact CD1-CD2 4.07Å; I417-Y846 HydrophobicContact CD1-CE2 3.65Å; I417-Y846 HydrophobicContact CG1-CE2 4.3Å
418A97.8Very high94.7Very high0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-57.4-44.1175.100000113.1M414 Q416 V421 I422 V433M414-A418 WeakPolarHBondContact O-CB 3.26Å; M414-A418 PolarHBondContact O-N 2.75Å; Q416-A418 PolarHBondContact O-N 3.1Å; A418-V421 PolarHBondContact O-N 2.9Å; A418-I422 VanDerWaalsContact O-CB 3.28Å; A418-I422 WeakPolarHBondContact O-CB 3.42Å; A418-I422 VanDerWaalsContact O-CD1 3.29Å; A418-I422 WeakPolarHBondContact O-CD1 3.47Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 3.46Å; A418-V433 HydrophobicContact CB-CG1 4.3Å; A418-V433 HydrophobicContact CB-CG2 4.41Å
419K97.9Very high93.9Very high95 Ų9554 Ų5441%0.41329%0.287SS..Hα-helixtrans-65.7-42.6178.8-67.8164.6-168.9159.40111.6A415 Q416 I417 I422 N423 V433A415-K419 VanDerWaalsContact O-CD 3.26Å; A415-K419 WeakPolarHBondContact O-CD 3.25Å; A415-K419 WeakPolarHBondContact O-CE 3.47Å; A415-K419 WeakPolarHBondContact O-CG 3.49Å; Q416-K419 WeakPolarHBondContact O-CB 3.25Å; Q416-K419 PolarHBondContact O-N 3.2Å; I417-K419 PolarHBondContact O-N 2.95Å; K419-I422 PolarHBondContact O-N 3.45Å; K419-N423 VanDerWaalsContact O-CB 3.32Å; K419-N423 WeakPolarHBondContact O-CB 3.39Å; K419-N423 PolarHBondContact O-N 3.13Å; K419-V433 HydrophobicContact CD-CB 4.45Å; K419-V433 HydrophobicContact CG-CB 3.75Å; K419-V433 HydrophobicContact CG-CG1 4.15Å; K419-V433 HydrophobicContact CG-CG2 3.98Å
420E97.1Very high93.4Very high70 Ų7053.9 Ų53.933%0.32729%0.291SS..Hα-helixtrans-64.9-46.2177.2-62.6179.4-164.700111.3Q416 I417 I422 N423 D424 H842Q416-E420 HydrophobicContact CG-CG 4.41Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.41Å; Q416-E420 PolarHBondContact NE2-OE1 2.75Å; Q416-E420 PolarHBondContact O-N 3.43Å; I417-E420 PolarHBondContact O-N 3.12Å; E420-I422 PolarHBondContact O-N 3.42Å; E420-N423 WeakPolarHBondContact O-CB 3.24Å; E420-N423 PolarHBondContact O-N 2.87Å; E420-N423 VanDerWaalsContact O-N 3.16Å; E420-D424 PolarHBondContact O-N 3.13Å; E420-H842 VanDerWaalsContact CB-ND1 3.32Å; E420-H842 WeakPolarHBondContact CB-ND1 3.45Å; E420-H842 IonicContact OE2-CE1 3.06Å; E420-H842 IonicContact OE2-CG 2.68Å; E420-H842 IonicContact OE2-ND1 2.73Å; E420-H842 PolarHBondContact OE2-ND1 2.85Å
421V97.7Very high93.6Very high0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-58.5-47.4174.8164.50000111.4T390 M395 I417 A418 N423 D424 N425 V839 H842T390-V421 WeakPolarHBondContact O-CG1 3.31Å; M395-V421 HydrophobicContact CE-CG1 3.38Å; M395-V421 HydrophobicContact SD-CG1 3.94Å; I417-V421 HydrophobicContact CG2-CG2 4.19Å; I417-V421 VanDerWaalsContact O-CB 3.31Å; I417-V421 WeakPolarHBondContact O-CB 3.14Å; I417-V421 VanDerWaalsContact O-CG2 3.24Å; I417-V421 WeakPolarHBondContact O-CG2 3.27Å; I417-V421 PolarHBondContact O-N 2.77Å; A418-V421 PolarHBondContact O-N 2.9Å; V421-N423 VanDerWaalsContact C-N 3.26Å; V421-N423 PolarHBondContact O-N 3.49Å; V421-D424 PolarHBondContact O-N 3.43Å; V421-N425 WeakPolarHBondContact O-CB 3.41Å; V421-N425 PolarHBondContact O-N 2.78Å; V421-N425 PolarHBondContact O-ND2 2.78Å; V421-V839 HydrophobicContact CG1-CG2 3.96Å; V421-H842 HydrophobicContact CG2-CB 3.72Å
422I98.2Very high93.9Very high3 Ų350.5 Ų50.52%0.01527%0.266CS..Hα-helixtrans-62-35177-74.4161.3000111.7M395 A418 K419 E420 E426 L427 T428 I431 V433M395-I422 HydrophobicContact CG-CG1 3.81Å; M395-I422 HydrophobicContact SD-CG1 4.14Å; A418-I422 VanDerWaalsContact O-CB 3.28Å; A418-I422 WeakPolarHBondContact O-CB 3.42Å; A418-I422 VanDerWaalsContact O-CD1 3.29Å; A418-I422 WeakPolarHBondContact O-CD1 3.47Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 3.46Å; K419-I422 PolarHBondContact O-N 3.45Å; E420-I422 PolarHBondContact O-N 3.42Å; I422-E426 PolarHBondContact O-N 3.04Å; I422-L427 HydrophobicContact CG2-CB 4.25Å; I422-L427 PolarHBondContact O-N 3.26Å; I422-T428 HydrophobicContact CG2-CG2 4.04Å; I422-I431 HydrophobicContact CD1-CB 4.21Å; I422-I431 HydrophobicContact CD1-CD1 4.19Å; I422-I431 HydrophobicContact CD1-CG2 3.63Å; I422-I431 HydrophobicContact CG1-CD1 4.04Å; I422-I431 HydrophobicContact CG2-CB 4.22Å; I422-I431 HydrophobicContact CG2-CD1 4.07Å; I422-V433 HydrophobicContact CD1-CG2 3.54Å
423N96.8Very high94.3Very high94 Ų9447.6 Ų47.650%0.50325%0.245SC..Hα-helixtrans-70.5-49.2176.1-177.383.7000112.5K419 E420 V421 N425 E426 T428K419-N423 VanDerWaalsContact O-CB 3.32Å; K419-N423 WeakPolarHBondContact O-CB 3.39Å; K419-N423 PolarHBondContact O-N 3.13Å; E420-N423 WeakPolarHBondContact O-CB 3.24Å; E420-N423 PolarHBondContact O-N 2.87Å; E420-N423 VanDerWaalsContact O-N 3.16Å; V421-N423 VanDerWaalsContact C-N 3.26Å; V421-N423 PolarHBondContact O-N 3.49Å; N423-N425 PolarHBondContact O-N 3.21Å; N423-E426 PolarHBondContact O-N 3.44Å; N423-T428 HydrophobicContact CB-CG2 3.92Å
424D96.2Very high94.7Very high44 Ų4450 Ų5024%0.23525%0.252CS..Hα-helixtrans-64.3-21.7176.1-10168.5000112.5E420 V421 K838 K841 H842E420-D424 PolarHBondContact O-N 3.13Å; V421-D424 PolarHBondContact O-N 3.43Å; D424-K838 WeakPolarHBondContact O-CD 3.42Å; D424-K838 WeakPolarHBondContact O-CE 3.47Å; D424-K838 PolarHBondContact O-NZ 2.98Å; D424-K841 IonicContact OD1-NZ 2.79Å; D424-K841 PolarHBondContact OD1-NZ 3.11Å; D424-K841 WeakPolarHBondContact OD2-CD 3.45Å; D424-K841 IonicContact OD2-NZ 2.66Å; D424-K841 PolarHBondContact OD2-NZ 3.13Å; D424-H842 IonicContact OD1-CE1 3.4Å; D424-H842 IonicContact OD1-NE2 2.64Å; D424-H842 IonicContact OD2-NE2 3.19Å
425N97.1Very high94.8Very high18 Ų1852.3 Ų52.310%0.09627%0.268CS..THydrogen-bonded Turntrans-92.64.7171.1-73.7-86.1000114.4M395 V421 N423 L427 F837 K838M395-N425 HydrophobicContact SD-CB 3.67Å; V421-N425 WeakPolarHBondContact O-CB 3.41Å; V421-N425 PolarHBondContact O-N 2.78Å; V421-N425 PolarHBondContact O-ND2 2.78Å; N423-N425 PolarHBondContact O-N 3.21Å; N425-L427 VanDerWaalsContact C-N 3.32Å; N425-L427 HydrophobicContact CB-CD1 4.43Å; N425-L427 PolarHBondContact O-N 3.06Å; N425-F837 WeakPolarHBondContact OD1-CA 3.14Å; N425-K838 PolarHBondContact ND2-N 2.85Å; N425-K838 PolarHBondContact ND2-O 2.82Å; N425-K838 PolarHBondContact OD1-N 2.84Å
426E95.6Very high94.8Very high156 Ų15655 Ų5573%0.72928%0.282SS*.THydrogen-bonded Turntrans64.726.1173.4-59.4160.4-128.700114.8I422 N423 K838I422-E426 PolarHBondContact O-N 3.04Å; N423-E426 PolarHBondContact O-N 3.44Å; E426-K838 IonicContact OE1-NZ 2.74Å
427L93.3Very high94.8Very high29 Ų2954.1 Ų54.115%0.15228%0.278CS..  trans-106.39.7-174.1-69.1171.3000115.3M395 K399 I422 N425 N429 G430 I431 F837M395-L427 HydrophobicContact CB-CD1 3.75Å; M395-L427 HydrophobicContact CG-CD1 3.75Å; M395-L427 HydrophobicContact SD-CD1 4.16Å; K399-L427 HydrophobicContact CG-CD1 4.25Å; K399-L427 HydrophobicContact CG-CD2 4.37Å; I422-L427 HydrophobicContact CG2-CB 4.25Å; I422-L427 PolarHBondContact O-N 3.26Å; N425-L427 VanDerWaalsContact C-N 3.32Å; N425-L427 HydrophobicContact CB-CD1 4.43Å; N425-L427 PolarHBondContact O-N 3.06Å; L427-N429 VanDerWaalsContact C-N 3.27Å; L427-N429 PolarHBondContact O-N 2.91Å; L427-G430 PolarHBondContact O-N 3.06Å; L427-I431 HydrophobicContact CB-CD1 3.88Å; L427-F837 HydrophobicContact CD1-CE1 4.02Å
428T83.9Confident94.9Very high66 Ų6654.2 Ų54.241%0.40528%0.279SS..THydrogen-bonded Turntrans-58-30.7-174.947.20000115I422 N423 G430I422-T428 HydrophobicContact CG2-CG2 4.04Å; N423-T428 HydrophobicContact CB-CG2 3.92Å; T428-G430 PolarHBondContact O-N 2.96Å
429N81.6Confident94.7Very high173 Ų17358.5 Ų58.593%0.92530%0.3SS*.THydrogen-bonded Turntrans-69.8-10.5-179-72.9-44.8000114.5L427L427-N429 VanDerWaalsContact C-N 3.27Å; L427-N429 PolarHBondContact O-N 2.91Å
430G86.7Confident94.6Very high16 Ų1658.1 Ų58.117%0.16530%0.302CS..THydrogen-bonded Turntrans-115.1-18.1-179.800000115.7V405 L427 T428V405-G430 PolarHBondContact N-O 3.16Å; L427-G430 PolarHBondContact O-N 3.06Å; T428-G430 PolarHBondContact O-N 2.96Å
431I97.5Very high94.6Very high12 Ų1254.8 Ų54.86%0.06229%0.287CS..EExtended strand (participates in β ladder)trans-122.1128.3-166.2-48172.9000111.4M395 V405 I422 L427 V433M395-I431 HydrophobicContact CG-CD1 3.95Å; V405-I431 HydrophobicContact CB-CB 4.42Å; V405-I431 HydrophobicContact CB-CG1 4.15Å; V405-I431 HydrophobicContact CB-CG2 4.19Å; V405-I431 HydrophobicContact CG1-CG2 4.24Å; V405-I431 HydrophobicContact CG2-CG1 4.42Å; V405-I431 CarbonylContact O-C 3.49Å; V405-I431 WeakPolarHBondContact O-CA 3.38Å; I422-I431 HydrophobicContact CD1-CB 4.21Å; I422-I431 HydrophobicContact CD1-CD1 4.19Å; I422-I431 HydrophobicContact CD1-CG2 3.63Å; I422-I431 HydrophobicContact CG1-CD1 4.04Å; I422-I431 HydrophobicContact CG2-CB 4.22Å; I422-I431 HydrophobicContact CG2-CD1 4.07Å; L427-I431 HydrophobicContact CB-CD1 3.88Å; I431-V433 HydrophobicContact CG2-CG2 4.43Å
432I96.9Very high94.4Very high62 Ų6258.6 Ų58.632%0.31831%0.307SS..EExtended strand (participates in β ladder)trans-119.4100-176.5-59.4170.4000109.5T404 V405 Y406 A407T404-I432 HydrophobicContact CG2-CD1 4.34Å; V405-I432 PolarHBondContact O-N 2.71Å; Y406-I432 HydrophobicContact CD1-CB 3.98Å; Y406-I432 HydrophobicContact CD1-CD1 4.28Å; Y406-I432 HydrophobicContact CD1-CG2 4.22Å; Y406-I432 HydrophobicContact CE1-CB 4.25Å; Y406-I432 HydrophobicContact CE1-CD1 3.69Å; Y406-I432 HydrophobicContact CE1-CG2 4.38Å; A407-I432 PolarHBondContact N-O 2.75Å
433V97.7Very high94.3Very high20 Ų2061.6 Ų61.612%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-86.1126.7179.7-172.50000111.7A407 A415 A418 K419 I422 I431A407-V433 HydrophobicContact CB-CG2 4.22Å; A407-V433 CarbonylContact O-C 3.55Å; A407-V433 WeakPolarHBondContact O-CA 3.47Å; A415-V433 HydrophobicContact CB-CG1 4.46Å; A418-V433 HydrophobicContact CB-CG1 4.3Å; A418-V433 HydrophobicContact CB-CG2 4.41Å; K419-V433 HydrophobicContact CD-CB 4.45Å; K419-V433 HydrophobicContact CG-CB 3.75Å; K419-V433 HydrophobicContact CG-CG1 4.15Å; K419-V433 HydrophobicContact CG-CG2 3.98Å; I422-V433 HydrophobicContact CD1-CG2 3.54Å; I431-V433 HydrophobicContact CG2-CG2 4.43Å
434R96.6Very high94Very high88 Ų8860.4 Ų60.433%0.33234%0.336SS..EExtended strand (participates in β ladder)trans-110.6132.4173.8-57.8-58.3-169.6177.64.5110.2A407 C408 E409 L436 L441 E446A407-R434 PolarHBondContact O-N 3.42Å; C408-R434 WeakPolarHBondContact CA-O 3.33Å; E409-R434 PolarHBondContact N-O 3.26Å; E409-R434 VanDerWaalsContact N-O 3.1Å; R434-L436 HydrophobicContact CB-CB 4.45Å; R434-L436 HydrophobicContact CB-CD1 4.36Å; R434-L436 PolarHBondContact O-N 3.5Å; R434-L441 HydrophobicContact CB-CD2 4.03Å; R434-L441 HydrophobicContact CG-CD2 4.03Å; R434-E446 HydrophobicContact CG-CB 4.4Å; R434-E446 PolarHBondContact NE-O 3.43Å; R434-E446 VanDerWaalsContact NE-O 3.13Å; R434-E446 PolarHBondContact NH2-O 3.09Å
435S96.4Very high93.8Very high51 Ų5167.6 Ų67.636%0.35736%0.359SS..EExtended strand (participates in β ladder)trans-89.672.2174.6179.70000109.1E409 S412E409-S435 CarbonylContact O-C 3.58Å; E409-S435 VanDerWaalsContact O-CA 3.28Å; E409-S435 WeakPolarHBondContact O-CA 3.41Å; S412-S435 WeakPolarHBondContact CA-OG 3.48Å; S412-S435 WeakPolarHBondContact CB-OG 3.45Å
436L95.2Very high93.6Very high57 Ų5767.5 Ų67.530%0.29836%0.358SS..SBendtrans-153.5155.4-169.1-72.4177.6000110.4E409 R434 D440 L441 E446E409-L436 CarbonylContact C-O 3.52Å; E409-L436 PolarHBondContact O-N 2.95Å; R434-L436 HydrophobicContact CB-CB 4.45Å; R434-L436 HydrophobicContact CB-CD1 4.36Å; R434-L436 PolarHBondContact O-N 3.5Å; L436-D440 HydrophobicContact CB-CB 4.28Å; L436-D440 HydrophobicContact CD1-CB 4.49Å; L436-D440 HydrophobicContact CD2-CB 4.17Å; L436-L441 HydrophobicContact CB-CD2 4.5Å; L436-L441 HydrophobicContact CD1-CD2 4.26Å; L436-E446 HydrophobicContact CD1-CG 3.59Å
437H96.2Very high93.6Very high81 Ų8160.1 Ų60.138%0.37532%0.324SS..  trans-69.5152.7164.3-153.6-57.4000109.7M439 D440 L441H437-M439 PolarHBondContact O-N 3.19Å; H437-D440 VanDerWaalsContact CB-OD2 3.23Å; H437-D440 WeakPolarHBondContact CB-OD2 3.24Å; H437-D440 PolarHBondContact N-OD2 3.19Å; H437-D440 VanDerWaalsContact N-OD2 3.15Å; H437-D440 PolarHBondContact O-N 3.41Å; H437-L441 PolarHBondContact O-N 3.48Å
438S96.3Very high93.6Very high4 Ų468.6 Ų68.63%0.02835%0.354CS..G310 helixtrans-50.6-34.2168.949.10000113.9D440 L441 R478S438-D440 VanDerWaalsContact C-N 3.34Å; S438-D440 PolarHBondContact O-N 3.47Å; S438-L441 WeakPolarHBondContact O-CB 3.48Å; S438-L441 PolarHBondContact O-N 2.75Å; S438-R478 PolarHBondContact O-NH2 3.02Å
439M94.7Very high94.1Very high90 Ų9068.7 Ų68.744%0.44335%0.349SS..G310 helixtrans-68-33179.5-63.3-173-175.400112.1H437 R478H437-M439 PolarHBondContact O-N 3.19Å; M439-R478 PolarHBondContact O-NH1 3.33Å; M439-R478 PolarHBondContact O-NH2 2.82Å
440D95.8Very high94.8Very high86 Ų8664 Ų6446%0.4632%0.32SS..G310 helixtrans-78.2-17.2178.8-52.5-54.7000113.7L436 H437 S438 N442L436-D440 HydrophobicContact CB-CB 4.28Å; L436-D440 HydrophobicContact CD1-CB 4.49Å; L436-D440 HydrophobicContact CD2-CB 4.17Å; H437-D440 VanDerWaalsContact CB-OD2 3.23Å; H437-D440 WeakPolarHBondContact CB-OD2 3.24Å; H437-D440 PolarHBondContact N-OD2 3.19Å; H437-D440 VanDerWaalsContact N-OD2 3.15Å; H437-D440 PolarHBondContact O-N 3.41Å; S438-D440 VanDerWaalsContact C-N 3.34Å; S438-D440 PolarHBondContact O-N 3.47Å; D440-N442 PolarHBondContact O-N 3.28Å; D440-N442 PolarHBondContact O-ND2 3.12Å
441L96Very high95.4Very high1 Ų163.3 Ų63.31%0.00531%0.312CS..  trans-65.1126.5178.7-67.8-179.4000110.9L384 C408 R434 L436 H437 S438 E446 M447 R478 L479L384-L441 HydrophobicContact CD1-CD1 3.86Å; L384-L441 HydrophobicContact CD2-CD1 4.3Å; C408-L441 HydrophobicContact CB-CD1 3.84Å; C408-L441 HydrophobicContact CB-CD2 4.22Å; C408-L441 HydrophobicContact CB-CG 4.27Å; R434-L441 HydrophobicContact CB-CD2 4.03Å; R434-L441 HydrophobicContact CG-CD2 4.03Å; L436-L441 HydrophobicContact CB-CD2 4.5Å; L436-L441 HydrophobicContact CD1-CD2 4.26Å; H437-L441 PolarHBondContact O-N 3.48Å; S438-L441 WeakPolarHBondContact O-CB 3.48Å; S438-L441 PolarHBondContact O-N 2.75Å; L441-E446 HydrophobicContact CD2-CB 3.84Å; L441-E446 HydrophobicContact CD2-CG 4.24Å; L441-M447 HydrophobicContact CB-SD 4.48Å; L441-M447 HydrophobicContact CD1-SD 4.1Å; L441-R478 PolarHBondContact O-NH1 3.24Å; L441-L479 HydrophobicContact CB-CD1 4.06Å; L441-L479 HydrophobicContact CB-CD2 4.24Å; L441-L479 HydrophobicContact CD1-CD1 3.93Å
442N95Very high95.4Very high80 Ų8063.9 Ų63.943%0.42832%0.316SS..  trans-119.2138.9174.3-74-86.9000112.7D440 R445 E446 M447D440-N442 PolarHBondContact O-N 3.28Å; D440-N442 PolarHBondContact O-ND2 3.12Å; N442-R445 PolarHBondContact O-N 3.47Å; N442-E446 WeakPolarHBondContact CB-OE2 3.5Å; N442-E446 PolarHBondContact N-OE2 3.44Å; N442-E446 PolarHBondContact O-N 3.17Å; N442-E446 VanDerWaalsContact O-N 3.07Å; N442-M447 PolarHBondContact O-N 3.06Å
443V95.5Very high95.5Very high66 Ų6660.9 Ų60.940%0.430%0.3SS..BIsolated β-bridgetrans-79.2126.7175.8-177.40000108.8M447 K450 L479V443-M447 CarbonylContact C-O 3.58Å; V443-M447 WeakPolarHBondContact CA-O 3.28Å; V443-K450 HydrophobicContact CG2-CG 4.2Å; V443-L479 HydrophobicContact CG2-CD2 4.05Å
444G91.1Very high95.6Very high69 Ų6960 Ų6071%0.71130%0.295SS*.THydrogen-bonded Turntrans104.8-19-168.300000113.6M447G444-M447 PolarHBondContact N-O 3.19Å
445R90.6Very high95.7Very high194 Ų19455.8 Ų55.873%0.73228%0.279SS*.THydrogen-bonded Turntrans-124.4-74.5-175.9-171.2-176.7-176.8-129.615.5112.2N442N442-R445 PolarHBondContact O-N 3.47Å
446E93.5Very high95.7Very high16 Ų1653.4 Ų53.48%0.07526%0.262CS..THydrogen-bonded Turntrans-75-40.6178.3-69.366.1-141.700111.5R434 L436 L441 N442R434-E446 HydrophobicContact CG-CB 4.4Å; R434-E446 PolarHBondContact NE-O 3.43Å; R434-E446 VanDerWaalsContact NE-O 3.13Å; R434-E446 PolarHBondContact NH2-O 3.09Å; L436-E446 HydrophobicContact CD1-CG 3.59Å; L441-E446 HydrophobicContact CD2-CB 3.84Å; L441-E446 HydrophobicContact CD2-CG 4.24Å; N442-E446 WeakPolarHBondContact CB-OE2 3.5Å; N442-E446 PolarHBondContact N-OE2 3.44Å; N442-E446 PolarHBondContact O-N 3.17Å; N442-E446 VanDerWaalsContact O-N 3.07Å
447M95.8Very high95.7Very high1 Ų151.4 Ų51.41%0.00525%0.251CS..BIsolated β-bridgetrans-112.9139.3174.3-61.6174.670.700109.8L384 Y406 L441 N442 V443 G444 A451 L479L384-M447 HydrophobicContact CB-CE 4.07Å; L384-M447 HydrophobicContact CD1-CE 4.19Å; L384-M447 HydrophobicContact CD1-SD 4.19Å; L384-M447 HydrophobicContact CD2-CE 3.94Å; L384-M447 HydrophobicContact CD2-SD 4.02Å; L384-M447 HydrophobicContact CG-CE 4.29Å; Y406-M447 HydrophobicContact CD1-CB 4.44Å; Y406-M447 HydrophobicContact CD1-CG 4.06Å; Y406-M447 HydrophobicContact CD2-CB 4.22Å; Y406-M447 HydrophobicContact CD2-CE 3.65Å; Y406-M447 HydrophobicContact CD2-CG 4.01Å; Y406-M447 HydrophobicContact CE1-CB 4.37Å; Y406-M447 HydrophobicContact CE1-CG 4.48Å; Y406-M447 HydrophobicContact CE2-CB 4.11Å; Y406-M447 HydrophobicContact CE2-CE 4.33Å; Y406-M447 HydrophobicContact CE2-CG 4.4Å; Y406-M447 HydrophobicContact CG-CB 4.39Å; Y406-M447 HydrophobicContact CG-CE 4.15Å; Y406-M447 HydrophobicContact CG-CG 3.83Å; L441-M447 HydrophobicContact CB-SD 4.48Å; L441-M447 HydrophobicContact CD1-SD 4.1Å; N442-M447 PolarHBondContact O-N 3.06Å; V443-M447 CarbonylContact C-O 3.58Å; V443-M447 WeakPolarHBondContact CA-O 3.28Å; G444-M447 PolarHBondContact N-O 3.19Å; M447-A451 HydrophobicContact CE-CB 4.35Å; M447-L479 HydrophobicContact SD-CB 4.39Å; M447-L479 HydrophobicContact SD-CD1 4.42Å; M447-L479 HydrophobicContact SD-CD2 4.06Å
448R93Very high95.7Very high207 Ų20749 Ų4978%0.78124%0.241SC*.SBendtrans-77.6-25.7179.9-171.7173.9180173.92.8113.3Y406Y406-R448 VanDerWaalsContact OH-CB 3.26Å; Y406-R448 WeakPolarHBondContact OH-CB 3.48Å; Y406-R448 PolarHBondContact OH-N 3.44Å
449F93.8Very high95.6Very high69 Ų6949.1 Ų49.130%0.30324%0.241SC..SBendtrans-155.9161-176.632.5-114.4000108.9T382 T404 Y406T382-F449 HydrophobicContact CG2-CD2 3.8Å; T382-F449 HydrophobicContact CG2-CE2 3.23Å; T382-F449 HydrophobicContact CG2-CZ 3.79Å; T404-F449 HydrophobicContact CG2-CE2 4.42Å; T404-F449 HydrophobicContact CG2-CZ 4.35Å; Y406-F449 HydrophobicContact CE2-CD2 4.01Å; Y406-F449 AromaticContact CE2-CE2 3.63Å; Y406-F449 HydrophobicContact CE2-CE2 3.63Å; Y406-F449 HydrophobicContact CE2-CZ 4.49Å
450K97.6Very high95.5Very high75 Ų7546.1 Ų46.133%0.32623%0.227SC..  trans-58.1152.4167.3-64.7-149.3-174.3-164.50111.1V443 R477 R478 L479 L480 K481V443-K450 HydrophobicContact CG2-CG 4.2Å; K450-R477 PolarHBondContact NZ-O 3.19Å; K450-R478 WeakPolarHBondContact CD-O 3.49Å; K450-R478 WeakPolarHBondContact CE-O 3.18Å; K450-R478 PolarHBondContact NZ-O 3.35Å; K450-L479 CarbonylContact C-O 3.45Å; K450-L479 WeakPolarHBondContact CA-O 3.44Å; K450-L479 VanDerWaalsContact CB-O 3.22Å; K450-L479 WeakPolarHBondContact CB-O 3.26Å; K450-L480 WeakPolarHBondContact CD-O 3.41Å; K450-L480 PolarHBondContact NZ-O 3.19Å; K450-K481 HydrophobicContact CB-CG 3.74Å; K450-K481 WeakPolarHBondContact O-CE 3.19Å
451A98.1Very high95.3Very high0 Ų043.1 Ų43.10%021%0.211CC..EExtended strand (participates in β ladder)trans-81.1153.2177.600000112.8L384 M447 L453 L479 K481L384-A451 HydrophobicContact CB-CB 3.83Å; M447-A451 HydrophobicContact CE-CB 4.35Å; A451-L453 WeakPolarHBondContact CB-O 3.26Å; A451-L479 PolarHBondContact N-O 2.84Å; A451-K481 WeakPolarHBondContact O-CB 3.37Å; A451-K481 WeakPolarHBondContact O-CG 3.46Å; A451-K481 PolarHBondContact O-N 3.47Å
452D98.4Very high95.2Very high24 Ų2443.1 Ų43.113%0.12821%0.212CC..EExtended strand (participates in β ladder)trans-84.5-23.1166.9-57.5-64.3000112.3V380 K381 T382 K481 G484 F485V380-D452 HydrophobicContact CB-CB 4.23Å; V380-D452 HydrophobicContact CG1-CB 4.16Å; V380-D452 HydrophobicContact CG2-CB 4.28Å; K381-D452 PolarHBondContact N-OD2 3.33Å; T382-D452 WeakPolarHBondContact CB-OD2 3.39Å; T382-D452 PolarHBondContact N-OD2 3.07Å; T382-D452 WeakPolarHBondContact O-CB 3.44Å; T382-D452 PolarHBondContact O-N 3.23Å; T382-D452 PolarHBondContact OG1-N 3.13Å; T382-D452 VanDerWaalsContact OG1-N 3.12Å; T382-D452 PolarHBondContact OG1-OD2 2.7Å; D452-K481 VanDerWaalsContact OD1-CD 3.29Å; D452-K481 WeakPolarHBondContact OD1-CD 3.32Å; D452-K481 WeakPolarHBondContact OD1-CE 3.42Å; D452-K481 IonicContact OD1-NZ 2.81Å; D452-K481 PolarHBondContact OD1-NZ 3.49Å; D452-K481 IonicContact OD2-NZ 2.78Å; D452-K481 PolarHBondContact OD2-NZ 3Å; D452-G484 CarbonylContact O-C 3.57Å; D452-G484 WeakPolarHBondContact O-CA 3.44Å; D452-F485 PolarHBondContact O-N 2.89Å
453L98.6Very high95.2Very high0 Ų039.3 Ų39.30%019%0.191CC..EExtended strand (participates in β ladder)trans-140.3130.4178.7169.964.8000109.1A374 V380 T382 V383 L384 A451 F485 I487A374-L453 HydrophobicContact CB-CD2 4.22Å; V380-L453 HydrophobicContact CB-CB 4.42Å; V380-L453 HydrophobicContact CG1-CB 3.57Å; V380-L453 HydrophobicContact CG1-CD2 4.11Å; V380-L453 HydrophobicContact CG2-CB 3.9Å; T382-L453 PolarHBondContact O-N 2.98Å; V383-L453 CarbonylContact C-O 3.55Å; V383-L453 WeakPolarHBondContact CA-O 3.5Å; V383-L453 HydrophobicContact CG1-CD2 4.2Å; V383-L453 HydrophobicContact CG1-CG 4.28Å; V383-L453 HydrophobicContact CG2-CB 4.29Å; V383-L453 HydrophobicContact CG2-CD2 4.13Å; L384-L453 PolarHBondContact N-O 3.24Å; A451-L453 WeakPolarHBondContact CB-O 3.26Å; L453-F485 WeakPolarHBondContact CA-O 3.27Å; L453-F485 HydrophobicContact CD1-CB 3.85Å; L453-I487 HydrophobicContact CD1-CB 4.47Å; L453-I487 HydrophobicContact CD1-CD1 3.83Å; L453-I487 HydrophobicContact CD1-CG1 3.82Å; L453-I487 HydrophobicContact CD2-CD1 4.16Å
454I98.7Very high95.2Very high0 Ų036.3 Ų36.30%017%0.173CC..EExtended strand (participates in β ladder)trans-94.9135.2156.5-76.4163.4000108.2L384 I386 L472 A475 L480 F485 I486 I487L384-I454 HydrophobicContact CB-CG1 4.14Å; L384-I454 HydrophobicContact CD2-CG1 4.18Å; L384-I454 HydrophobicContact CG-CG1 4.44Å; L384-I454 CarbonylContact O-C 3.54Å; L384-I454 WeakPolarHBondContact O-CA 3.44Å; I386-I454 HydrophobicContact CD1-CD1 4.27Å; I386-I454 HydrophobicContact CD1-CG1 4.34Å; I386-I454 HydrophobicContact CD1-CG2 3.81Å; I386-I454 HydrophobicContact CG1-CG2 4.27Å; I454-L472 HydrophobicContact CG2-CD2 3.8Å; I454-A475 HydrophobicContact CD1-CB 3.7Å; I454-L480 HydrophobicContact CB-CD1 4.28Å; I454-L480 HydrophobicContact CD1-CB 3.88Å; I454-L480 HydrophobicContact CD1-CD1 4Å; I454-L480 HydrophobicContact CD1-CG 4.38Å; I454-L480 HydrophobicContact CG1-CD1 3.83Å; I454-F485 PolarHBondContact N-O 3.07Å; I454-I486 HydrophobicContact CB-CG1 4.39Å; I454-I486 HydrophobicContact CB-CG2 4.41Å; I454-I486 HydrophobicContact CG2-CG2 4.25Å; I454-I486 CarbonylContact O-C 3.56Å; I454-I486 WeakPolarHBondContact O-CA 3.45Å; I454-I487 PolarHBondContact O-N 3.44Å
455V98.7Very high95.1Very high0 Ų034.7 Ų34.70%016%0.156CC..EExtended strand (participates in β ladder)trans-117140.9161.964.80000108.4Y367 I371 V383 L384 D385 I386 L393 I487Y367-V455 HydrophobicContact CD1-CG2 3.97Å; Y367-V455 HydrophobicContact CE1-CG2 3.81Å; I371-V455 HydrophobicContact CD1-CG2 4.1Å; I371-V455 HydrophobicContact CG1-CG2 4.18Å; V383-V455 HydrophobicContact CG1-CG1 4.04Å; L384-V455 PolarHBondContact O-N 3.03Å; D385-V455 WeakPolarHBondContact CA-O 3.46Å; D385-V455 HydrophobicContact CB-CG1 3.91Å; I386-V455 PolarHBondContact N-O 2.81Å; L393-V455 HydrophobicContact CB-CG1 4.38Å; L393-V455 HydrophobicContact CB-CG2 4.5Å; L393-V455 HydrophobicContact CD1-CG2 4.02Å; V455-I487 CarbonylContact C-O 3.44Å; V455-I487 WeakPolarHBondContact CA-O 3.34Å; V455-I487 HydrophobicContact CB-CB 4.46Å; V455-I487 HydrophobicContact CG2-CB 4.13Å; V455-I487 HydrophobicContact CG2-CG2 4.1Å
456T97.7Very high95.1Very high1 Ų129 Ų291%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-150.2160.4174.9-167.80000110.4Y367 I386 L458 I468 L472 I487 P488Y367-T456 WeakPolarHBondContact CE1-O 3.33Å; Y367-T456 PolarHBondContact OH-O 3.48Å; I386-T456 WeakPolarHBondContact O-CB 3.27Å; I386-T456 PolarHBondContact O-OG1 2.96Å; T456-L458 WeakPolarHBondContact OG1-CD1 3.29Å; T456-L458 WeakPolarHBondContact OG1-CG 3.43Å; T456-I468 HydrophobicContact CG2-CD1 4.3Å; T456-L472 HydrophobicContact CG2-CD1 4.21Å; T456-L472 HydrophobicContact CG2-CD2 4Å; T456-L472 HydrophobicContact CG2-CG 4.39Å; T456-I487 PolarHBondContact N-O 2.85Å; T456-P488 WeakPolarHBondContact O-CD 3.05Å
457E95.4Very high95Very high15 Ų1530.4 Ų30.47%0.0715%0.149CC..  trans-141.854.2177.9-142.3-54.773.500109.1R363 Y367 L393 M459 W624R363-E457 IonicContact CZ-OE2 3.62Å; R363-E457 IonicContact NE-OE2 3.91Å; R363-E457 PolarHBondContact NE-OE2 3Å; R363-E457 IonicContact NH2-OE2 3.71Å; R363-E457 PolarHBondContact NH2-OE2 3.43Å; Y367-E457 HydrophobicContact CE1-CG 4.44Å; Y367-E457 HydrophobicContact CE2-CG 3.81Å; L393-E457 HydrophobicContact CD1-CB 4.03Å; E457-M459 WeakPolarHBondContact OE1-CE 3.28Å; E457-W624 WeakPolarHBondContact OE1-CZ2 3.43Å; E457-W624 WeakPolarHBondContact OE2-CZ2 3.47Å
458L94.6Very high95Very high32 Ų3230.3 Ų30.317%0.16815%0.149CC..  trans-101.153178.1-68.1171.6000110I386 T456 E466 I468 T471I386-L458 HydrophobicContact CG2-CD1 4.18Å; T456-L458 WeakPolarHBondContact OG1-CD1 3.29Å; T456-L458 WeakPolarHBondContact OG1-CG 3.43Å; L458-E466 WeakPolarHBondContact CA-OE2 3.34Å; L458-E466 HydrophobicContact CB-CB 4.02Å; L458-E466 HydrophobicContact CD2-CB 4.28Å; L458-I468 HydrophobicContact CB-CB 4.34Å; L458-I468 WeakPolarHBondContact O-CB 3.46Å; L458-T471 HydrophobicContact CD1-CG2 4.01Å
459M94.3Very high95.1Very high5 Ų520.5 Ų20.53%0.02511%0.112CC..  trans-119.8111.2-177.6-61.9-178-65.900110.2Y367 E457 L463 I468 P488 F604 A606 W624Y367-M459 WeakPolarHBondContact OH-CE 3.17Å; E457-M459 WeakPolarHBondContact OE1-CE 3.28Å; M459-L463 HydrophobicContact CB-CD1 4.37Å; M459-L463 HydrophobicContact CG-CD1 3.91Å; M459-L463 HydrophobicContact SD-CD1 3.79Å; M459-I468 HydrophobicContact CG-CD1 3.74Å; M459-I468 HydrophobicContact SD-CD1 4.49Å; M459-P488 HydrophobicContact CE-CG 4.43Å; M459-P488 HydrophobicContact SD-CG 3.91Å; M459-F604 HydrophobicContact CB-CE2 4.3Å; M459-F604 HydrophobicContact CB-CZ 3.92Å; M459-F604 HydrophobicContact CE-CE2 4.29Å; M459-F604 HydrophobicContact SD-CE2 3.84Å; M459-F604 HydrophobicContact SD-CZ 4.41Å; M459-A606 HydrophobicContact CE-CB 4.03Å; M459-A606 HydrophobicContact SD-CB 3.74Å; M459-W624 HydrophobicContact CE-CZ2 4.22Å; M459-W624 PolarHBondContact O-NE1 3.25Å
460D92.5Very high95.1Very high28 Ų2818.7 Ų18.715%0.1511%0.108CC..  trans-82.3-179.9169.283.2-61.5000111G462 L463 F464 G465 E466 Y545 F604D460-G462 PolarHBondContact O-N 3.26Å; D460-G462 PolarHBondContact OD2-N 2.88Å; D460-L463 WeakPolarHBondContact O-CA 3.23Å; D460-L463 PolarHBondContact O-N 2.84Å; D460-L463 VanDerWaalsContact OD1-C 3.24Å; D460-L463 PolarHBondContact OD1-N 3.47Å; D460-L463 VanDerWaalsContact OD1-N 3.16Å; D460-F464 PolarHBondContact OD1-N 2.89Å; D460-F464 VanDerWaalsContact OD1-N 3.09Å; D460-G465 WeakPolarHBondContact OD1-CA 3.43Å; D460-G465 PolarHBondContact OD1-N 3.4Å; D460-E466 HydrophobicContact CB-CG 4.42Å; D460-Y545 WeakPolarHBondContact OD2-CE2 3.41Å; D460-Y545 VanDerWaalsContact OD2-CZ 3.31Å; D460-Y545 PolarHBondContact OD2-OH 3.25Å; D460-F604 WeakPolarHBondContact O-CE1 3.44Å
461D93.3Very high95.1Very high22 Ų2215.3 Ų15.312%0.1189%0.093CC..THydrogen-bonded Turntrans-62.3-24.3-179.9-54.9-59.4000113.5S547 W624 D625 A627D461-S547 WeakPolarHBondContact OD2-CB 3.35Å; D461-S547 PolarHBondContact OD2-OG 2.88Å; D461-W624 WeakPolarHBondContact OD1-CA 3.43Å; D461-W624 WeakPolarHBondContact OD1-CB 3.43Å; D461-D625 PolarHBondContact OD1-N 3.5Å; D461-A627 HydrophobicContact CB-CB 4.46Å
462G93.3Very high95Very high2 Ų215.3 Ų15.32%0.0219%0.093CC..THydrogen-bonded Turntrans-91.813.1171.100000115.1D460 F464D460-G462 PolarHBondContact O-N 3.26Å; D460-G462 PolarHBondContact OD2-N 2.88Å; G462-F464 PolarHBondContact O-N 3.19Å
463L95.4Very high94.9Very high0 Ų015 Ų150%09%0.092CC..SBendtrans64.9-40.3-176.2179.366.8000116.4M459 D460 A491 V493 F570 F604M459-L463 HydrophobicContact CB-CD1 4.37Å; M459-L463 HydrophobicContact CG-CD1 3.91Å; M459-L463 HydrophobicContact SD-CD1 3.79Å; D460-L463 WeakPolarHBondContact O-CA 3.23Å; D460-L463 PolarHBondContact O-N 2.84Å; D460-L463 VanDerWaalsContact OD1-C 3.24Å; D460-L463 PolarHBondContact OD1-N 3.47Å; D460-L463 VanDerWaalsContact OD1-N 3.16Å; L463-A491 HydrophobicContact CD1-CB 3.76Å; L463-A491 HydrophobicContact CD2-CB 3.61Å; L463-A491 HydrophobicContact CG-CB 4.35Å; L463-V493 HydrophobicContact CB-CG2 4.13Å; L463-V493 HydrophobicContact CD2-CG2 3.56Å; L463-F570 HydrophobicContact CD1-CZ 4.46Å; L463-F604 HydrophobicContact CB-CB 4.18Å; L463-F604 HydrophobicContact CB-CD1 4.03Å; L463-F604 HydrophobicContact CB-CG 4.07Å; L463-F604 HydrophobicContact CD1-CB 4.49Å; L463-F604 HydrophobicContact CD1-CD2 3.85Å; L463-F604 HydrophobicContact CD1-CE2 4.15Å; L463-F604 HydrophobicContact CD1-CG 4.06Å; L463-F604 HydrophobicContact CD2-CB 4.43Å
464F94.6Very high94.8Very high2 Ų216.7 Ų16.71%0.00910%0.101CC..SBendtrans-99.1-22.8-164.5-61.4-63.6000115.4D460 G462 E466 S467 I468 V469 V493 I568 V649 N652 L654D460-F464 PolarHBondContact OD1-N 2.89Å; D460-F464 VanDerWaalsContact OD1-N 3.09Å; G462-F464 PolarHBondContact O-N 3.19Å; F464-E466 VanDerWaalsContact C-N 3.33Å; F464-E466 PolarHBondContact O-N 3.46Å; F464-S467 PolarHBondContact O-N 3.3Å; F464-I468 HydrophobicContact CD1-CG2 4.37Å; F464-V469 HydrophobicContact CD1-CG2 3.57Å; F464-V469 HydrophobicContact CE1-CG2 3.94Å; F464-V493 HydrophobicContact CE2-CG2 3.97Å; F464-V493 HydrophobicContact CZ-CG2 4.34Å; F464-I568 HydrophobicContact CE1-CD1 4.49Å; F464-I568 HydrophobicContact CE1-CG2 4.24Å; F464-V649 HydrophobicContact CD1-CG1 4.29Å; F464-V649 HydrophobicContact CD2-CG1 3.83Å; F464-V649 HydrophobicContact CD2-CG2 3.94Å; F464-V649 HydrophobicContact CE1-CG1 4.38Å; F464-V649 HydrophobicContact CE2-CB 4.39Å; F464-V649 HydrophobicContact CE2-CG1 3.94Å; F464-V649 HydrophobicContact CE2-CG2 3.47Å; F464-V649 VanDerWaalsContact CE2-CG2 3.47Å; F464-V649 HydrophobicContact CG-CG1 4Å; F464-V649 HydrophobicContact CZ-CG1 4.2Å; F464-V649 HydrophobicContact CZ-CG2 4.06Å; F464-N652 CarbonylContact C-O 3.43Å; F464-L654 HydrophobicContact CD2-CB 4.19Å
465G89.3Confident94.7Very high35 Ų3516.7 Ų16.736%0.36110%0.101SC..THydrogen-bonded Turntrans-57.7-34.3-163.300000115.4D460 S467 N652D460-G465 WeakPolarHBondContact OD1-CA 3.43Å; D460-G465 PolarHBondContact OD1-N 3.4Å; G465-S467 PolarHBondContact O-N 2.83Å; G465-S467 VanDerWaalsContact O-N 3.09Å; G465-N652 VanDerWaalsContact CA-O 3.24Å; G465-N652 WeakPolarHBondContact CA-O 3.27Å; G465-N652 PolarHBondContact N-O 3.25Å
466E90.2Very high94.6Very high76 Ų7618.2 Ų18.236%0.35511%0.107SC..THydrogen-bonded Turntrans-8022.6174.9-68.3-167.1161.500113.5L458 D460 F464 I468L458-E466 WeakPolarHBondContact CA-OE2 3.34Å; L458-E466 HydrophobicContact CB-CB 4.02Å; L458-E466 HydrophobicContact CD2-CB 4.28Å; D460-E466 HydrophobicContact CB-CG 4.42Å; F464-E466 VanDerWaalsContact C-N 3.33Å; F464-E466 PolarHBondContact O-N 3.46Å; E466-I468 VanDerWaalsContact C-N 3.29Å; E466-I468 PolarHBondContact O-N 2.85Å
467S92Very high94.4Very high44 Ų4424.7 Ų24.731%0.30813%0.132SC..THydrogen-bonded Turntrans62.231.4170.2-63.20000115F464 G465 V469 S470 T471 N652F464-S467 PolarHBondContact O-N 3.3Å; G465-S467 PolarHBondContact O-N 2.83Å; G465-S467 VanDerWaalsContact O-N 3.09Å; S467-V469 VanDerWaalsContact C-N 3.29Å; S467-V469 PolarHBondContact O-N 3.32Å; S467-S470 PolarHBondContact O-OG 2.79Å; S467-T471 WeakPolarHBondContact O-CB 3.41Å; S467-T471 PolarHBondContact O-N 3.26Å; S467-T471 PolarHBondContact O-OG1 3.41Å; S467-N652 WeakPolarHBondContact CB-ND2 3.26Å; S467-N652 PolarHBondContact OG-ND2 2.82Å
468I95.6Very high94.5Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-56.7-39177.6-171.1163000113T456 L458 M459 F464 E466 L472 P488 F570T456-I468 HydrophobicContact CG2-CD1 4.3Å; L458-I468 HydrophobicContact CB-CB 4.34Å; L458-I468 WeakPolarHBondContact O-CB 3.46Å; M459-I468 HydrophobicContact CG-CD1 3.74Å; M459-I468 HydrophobicContact SD-CD1 4.49Å; F464-I468 HydrophobicContact CD1-CG2 4.37Å; E466-I468 VanDerWaalsContact C-N 3.29Å; E466-I468 PolarHBondContact O-N 2.85Å; I468-L472 HydrophobicContact CD1-CD1 4.12Å; I468-L472 HydrophobicContact CG1-CD1 3.55Å; I468-L472 HydrophobicContact CG1-CG 4.09Å; I468-L472 VanDerWaalsContact O-CB 3.28Å; I468-L472 WeakPolarHBondContact O-CB 3.18Å; I468-L472 WeakPolarHBondContact O-CG 3.34Å; I468-L472 PolarHBondContact O-N 2.98Å; I468-P488 HydrophobicContact CD1-CG 4.17Å; I468-F570 HydrophobicContact CD1-CE1 4.06Å; I468-F570 HydrophobicContact CD1-CE2 4.31Å; I468-F570 HydrophobicContact CD1-CZ 3.8Å; I468-F570 HydrophobicContact CG1-CE1 4.04Å; I468-F570 HydrophobicContact CG1-CZ 4.29Å; I468-F570 HydrophobicContact CG2-CE1 4.28Å
469V95.5Very high94.6Very high1 Ų126 Ų261%0.00613%0.134CC..Hα-helixtrans-66.8-55.8-176.3-177.60000111.1F464 S467 T471 L472 L473 I568 L576 H579 A580F464-V469 HydrophobicContact CD1-CG2 3.57Å; F464-V469 HydrophobicContact CE1-CG2 3.94Å; S467-V469 VanDerWaalsContact C-N 3.29Å; S467-V469 PolarHBondContact O-N 3.32Å; V469-T471 VanDerWaalsContact C-N 3.3Å; V469-T471 PolarHBondContact O-N 2.92Å; V469-L472 PolarHBondContact O-N 3.38Å; V469-L473 VanDerWaalsContact O-CB 3.22Å; V469-L473 WeakPolarHBondContact O-CB 3.34Å; V469-L473 PolarHBondContact O-N 2.9Å; V469-I568 HydrophobicContact CG2-CD1 4.1Å; V469-L576 HydrophobicContact CG1-CD2 4.24Å; V469-L576 WeakPolarHBondContact CG1-O 3.09Å; V469-H579 HydrophobicContact CG1-CB 3.62Å; V469-H579 HydrophobicContact CG2-CB 4.3Å; V469-A580 HydrophobicContact CG1-CB 4.06Å
470S94.1Very high94.8Very high31 Ų3125.8 Ų25.822%0.21713%0.133CC..Hα-helixtrans-63.1-37.7177.957.10000112S467 D474 N652S467-S470 PolarHBondContact O-OG 2.79Å; S470-D474 WeakPolarHBondContact O-CB 3.29Å; S470-D474 PolarHBondContact O-N 3.2Å; S470-D474 VanDerWaalsContact O-N 3.08Å; S470-N652 PolarHBondContact OG-ND2 3.09Å
471T96Very high95Very high3 Ų327.8 Ų27.82%0.01814%0.14CC..Hα-helixtrans-65.3-47178.8-64.90000112.1I386 L458 S467 V469 A475I386-T471 HydrophobicContact CG2-CG2 3.77Å; L458-T471 HydrophobicContact CD1-CG2 4.01Å; S467-T471 WeakPolarHBondContact O-CB 3.41Å; S467-T471 PolarHBondContact O-N 3.26Å; S467-T471 PolarHBondContact O-OG1 3.41Å; V469-T471 VanDerWaalsContact C-N 3.3Å; V469-T471 PolarHBondContact O-N 2.92Å; T471-A475 WeakPolarHBondContact O-CB 3.47Å; T471-A475 PolarHBondContact O-N 3.14Å
472L96.9Very high95Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-74.2-31.5178.2-68.7178.9000112.2I454 T456 I468 V469 K476 I486 F570 L576I454-L472 HydrophobicContact CG2-CD2 3.8Å; T456-L472 HydrophobicContact CG2-CD1 4.21Å; T456-L472 HydrophobicContact CG2-CD2 4Å; T456-L472 HydrophobicContact CG2-CG 4.39Å; I468-L472 HydrophobicContact CD1-CD1 4.12Å; I468-L472 HydrophobicContact CG1-CD1 3.55Å; I468-L472 HydrophobicContact CG1-CG 4.09Å; I468-L472 VanDerWaalsContact O-CB 3.28Å; I468-L472 WeakPolarHBondContact O-CB 3.18Å; I468-L472 WeakPolarHBondContact O-CG 3.34Å; I468-L472 PolarHBondContact O-N 2.98Å; V469-L472 PolarHBondContact O-N 3.38Å; L472-K476 WeakPolarHBondContact O-CB 3.49Å; L472-K476 PolarHBondContact O-N 3.01Å; L472-I486 HydrophobicContact CD1-CG2 4.07Å; L472-I486 HydrophobicContact CD2-CG2 3.91Å; L472-F570 HydrophobicContact CD1-CB 3.93Å; L472-F570 HydrophobicContact CD1-CD1 3.74Å; L472-F570 HydrophobicContact CD1-CE1 4.35Å; L472-F570 HydrophobicContact CD1-CG 3.85Å; L472-L576 HydrophobicContact CB-CD1 4.38Å; L472-L576 HydrophobicContact CB-CD2 3.99Å
473L95.9Very high94.9Very high18 Ų1841.4 Ų41.49%0.09421%0.206CC..Hα-helixtrans-60-47.6172.7-178.157.4000111.8V469 R477 V573 L576 T577 A580V469-L473 VanDerWaalsContact O-CB 3.22Å; V469-L473 WeakPolarHBondContact O-CB 3.34Å; V469-L473 PolarHBondContact O-N 2.9Å; L473-R477 WeakPolarHBondContact O-CD 3.46Å; L473-R477 VanDerWaalsContact O-CG 3.24Å; L473-R477 WeakPolarHBondContact O-CG 3.44Å; L473-R477 PolarHBondContact O-N 3.43Å; L473-V573 HydrophobicContact CD1-CG1 4.24Å; L473-L576 HydrophobicContact CB-CB 4.16Å; L473-L576 HydrophobicContact CD1-CB 3.82Å; L473-T577 WeakPolarHBondContact CD1-OG1 3.37Å; L473-A580 HydrophobicContact CD2-CB 3.67Å
474D96.4Very high94.9Very high36 Ų3642 Ų4219%0.19321%0.213CC..Hα-helixtrans-67.3-52.7175.8176.659000112S470 K476 R477 R478S470-D474 WeakPolarHBondContact O-CB 3.29Å; S470-D474 PolarHBondContact O-N 3.2Å; S470-D474 VanDerWaalsContact O-N 3.08Å; D474-K476 VanDerWaalsContact C-N 3.3Å; D474-K476 PolarHBondContact O-N 2.98Å; D474-R477 PolarHBondContact O-N 3.11Å; D474-R477 VanDerWaalsContact O-N 3.07Å; D474-R478 VanDerWaalsContact CG-NE 3.32Å; D474-R478 PolarHBondContact O-N 2.95Å; D474-R478 WeakPolarHBondContact OD1-CD 3.45Å; D474-R478 IonicContact OD1-CZ 2.69Å; D474-R478 IonicContact OD1-NE 3.8Å; D474-R478 PolarHBondContact OD1-NE 2.87Å; D474-R478 IonicContact OD1-NH2 2.65Å; D474-R478 IonicContact OD2-CZ 3.81Å; D474-R478 IonicContact OD2-NE 3.15Å; D474-R478 PolarHBondContact OD2-NE 3.42Å; D474-R478 VanDerWaalsContact OD2-NE 3.13Å; D474-R478 IonicContact OD2-NH2 2.67Å; D474-R478 PolarHBondContact OD2-NH2 3.48Å
475A97Very high95.1Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-63.5-33.5-17700000112.5I386 I454 T471 L479 L480I386-A475 HydrophobicContact CD1-CB 3.66Å; I454-A475 HydrophobicContact CD1-CB 3.7Å; T471-A475 WeakPolarHBondContact O-CB 3.47Å; T471-A475 PolarHBondContact O-N 3.14Å; A475-L479 HydrophobicContact CB-CB 4.47Å; A475-L479 HydrophobicContact CB-CD1 4.14Å; A475-L479 HydrophobicContact CB-CG 4.49Å; A475-L479 CarbonylContact O-C 3.51Å; A475-L479 VanDerWaalsContact O-CA 3.27Å; A475-L479 WeakPolarHBondContact O-CA 3.2Å; A475-L479 WeakPolarHBondContact O-CB 3.45Å; A475-L479 PolarHBondContact O-N 2.77Å; A475-L480 PolarHBondContact O-N 2.64Å
476K95.9Very high95.5Very high32 Ų3242.3 Ų42.314%0.13920%0.204CC..Hα-helixtrans-68.2-37.4174-171.6175.9-179.475.80112.3L472 D474 L480 I486 S571 V573 L576L472-K476 WeakPolarHBondContact O-CB 3.49Å; L472-K476 PolarHBondContact O-N 3.01Å; D474-K476 VanDerWaalsContact C-N 3.3Å; D474-K476 PolarHBondContact O-N 2.98Å; K476-L480 HydrophobicContact CG-CD2 4.19Å; K476-I486 HydrophobicContact CB-CD1 4.31Å; K476-I486 HydrophobicContact CD-CD1 3.99Å; K476-I486 HydrophobicContact CG-CD1 4.24Å; K476-S571 WeakPolarHBondContact CE-O 3.5Å; K476-S571 PolarHBondContact NZ-O 2.87Å; K476-V573 HydrophobicContact CD-CG2 3.79Å; K476-V573 VanDerWaalsContact CE-CG2 3.49Å; K476-V573 HydrophobicContact CG-CG2 4.33Å; K476-L576 HydrophobicContact CD-CD1 3.85Å
477R94.8Very high95.9Very high137 Ų13738.7 Ų38.752%0.51719%0.187SC..Hα-helixtrans-70.5-50.1175.5-71.5169.7177.9-177.40.7111.5K450 L473 D474 T577K450-R477 PolarHBondContact NZ-O 3.19Å; L473-R477 WeakPolarHBondContact O-CD 3.46Å; L473-R477 VanDerWaalsContact O-CG 3.24Å; L473-R477 WeakPolarHBondContact O-CG 3.44Å; L473-R477 PolarHBondContact O-N 3.43Å; D474-R477 PolarHBondContact O-N 3.11Å; D474-R477 VanDerWaalsContact O-N 3.07Å; R477-T577 PolarHBondContact NH2-OG1 3.14Å; R477-T577 VanDerWaalsContact NH2-OG1 3.09Å
478R96.2Very high96.2Very high73 Ų7336.6 Ų36.628%0.27517%0.173SC..Hα-helixtrans-91.9-41.6-172.3-60.5-167.3-55.5104.917.9114.7S438 M439 L441 K450 D474S438-R478 PolarHBondContact O-NH2 3.02Å; M439-R478 PolarHBondContact O-NH1 3.33Å; M439-R478 PolarHBondContact O-NH2 2.82Å; L441-R478 PolarHBondContact O-NH1 3.24Å; K450-R478 WeakPolarHBondContact CD-O 3.49Å; K450-R478 WeakPolarHBondContact CE-O 3.18Å; K450-R478 PolarHBondContact NZ-O 3.35Å; D474-R478 VanDerWaalsContact CG-NE 3.32Å; D474-R478 PolarHBondContact O-N 2.95Å; D474-R478 WeakPolarHBondContact OD1-CD 3.45Å; D474-R478 IonicContact OD1-CZ 2.69Å; D474-R478 IonicContact OD1-NE 3.8Å; D474-R478 PolarHBondContact OD1-NE 2.87Å; D474-R478 IonicContact OD1-NH2 2.65Å; D474-R478 IonicContact OD2-CZ 3.81Å; D474-R478 IonicContact OD2-NE 3.15Å; D474-R478 PolarHBondContact OD2-NE 3.42Å; D474-R478 VanDerWaalsContact OD2-NE 3.13Å; D474-R478 IonicContact OD2-NH2 2.67Å; D474-R478 PolarHBondContact OD2-NH2 3.48Å
479L98Very high96.3Very high0 Ų037.6 Ų37.60%018%0.179CC..THydrogen-bonded Turntrans-108.9-24.6-163-49.5-179.1000114.8L384 L441 V443 M447 K450 A451 A475L384-L479 HydrophobicContact CD2-CB 3.84Å; L384-L479 HydrophobicContact CD2-CD1 3.61Å; L384-L479 HydrophobicContact CD2-CG 4.36Å; L441-L479 HydrophobicContact CB-CD1 4.06Å; L441-L479 HydrophobicContact CB-CD2 4.24Å; L441-L479 HydrophobicContact CD1-CD1 3.93Å; V443-L479 HydrophobicContact CG2-CD2 4.05Å; M447-L479 HydrophobicContact SD-CB 4.39Å; M447-L479 HydrophobicContact SD-CD1 4.42Å; M447-L479 HydrophobicContact SD-CD2 4.06Å; K450-L479 CarbonylContact C-O 3.45Å; K450-L479 WeakPolarHBondContact CA-O 3.44Å; K450-L479 VanDerWaalsContact CB-O 3.22Å; K450-L479 WeakPolarHBondContact CB-O 3.26Å; A451-L479 PolarHBondContact N-O 2.84Å; A475-L479 HydrophobicContact CB-CB 4.47Å; A475-L479 HydrophobicContact CB-CD1 4.14Å; A475-L479 HydrophobicContact CB-CG 4.49Å; A475-L479 CarbonylContact O-C 3.51Å; A475-L479 VanDerWaalsContact O-CA 3.27Å; A475-L479 WeakPolarHBondContact O-CA 3.2Å; A475-L479 WeakPolarHBondContact O-CB 3.45Å; A475-L479 PolarHBondContact O-N 2.77Å
480L98.1Very high96.4Very high2 Ų242.7 Ų42.71%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-92.1144.7177.4-163.173000112.7K450 I454 A475 K476 F485 I486K450-L480 WeakPolarHBondContact CD-O 3.41Å; K450-L480 PolarHBondContact NZ-O 3.19Å; I454-L480 HydrophobicContact CB-CD1 4.28Å; I454-L480 HydrophobicContact CD1-CB 3.88Å; I454-L480 HydrophobicContact CD1-CD1 4Å; I454-L480 HydrophobicContact CD1-CG 4.38Å; I454-L480 HydrophobicContact CG1-CD1 3.83Å; A475-L480 PolarHBondContact O-N 2.64Å; K476-L480 HydrophobicContact CG-CD2 4.19Å; L480-F485 WeakPolarHBondContact CD1-O 3.46Å; L480-I486 HydrophobicContact CD2-CD1 3.94Å; L480-I486 HydrophobicContact CD2-CG1 3.69Å
481K97.2Very high96.5Very high70 Ų7041.3 Ų41.330%0.30419%0.189SC..EExtended strand (participates in β ladder)trans-68.7151.2166.2-66.2172.9-151172.40110.6T382 K450 A451 D452 N483 G484T382-K481 PolarHBondContact OG1-NZ 3.49Å; K450-K481 HydrophobicContact CB-CG 3.74Å; K450-K481 WeakPolarHBondContact O-CE 3.19Å; A451-K481 WeakPolarHBondContact O-CB 3.37Å; A451-K481 WeakPolarHBondContact O-CG 3.46Å; A451-K481 PolarHBondContact O-N 3.47Å; D452-K481 VanDerWaalsContact OD1-CD 3.29Å; D452-K481 WeakPolarHBondContact OD1-CD 3.32Å; D452-K481 WeakPolarHBondContact OD1-CE 3.42Å; D452-K481 IonicContact OD1-NZ 2.81Å; D452-K481 PolarHBondContact OD1-NZ 3.49Å; D452-K481 IonicContact OD2-NZ 2.78Å; D452-K481 PolarHBondContact OD2-NZ 3Å; K481-N483 VanDerWaalsContact C-N 3.27Å; K481-N483 PolarHBondContact O-N 3.36Å; K481-G484 WeakPolarHBondContact O-CA 3.42Å; K481-G484 PolarHBondContact O-N 2.87Å
482E92Very high96.6Very high186 Ų18641.7 Ų41.787%0.86919%0.193SC*.EExtended strand (participates in β ladder)trans-55.5-38.2-178.3-171.7171.9-150.900113.7
483N91.4Very high96.6Very high123 Ų12341.8 Ų41.866%0.65819%0.193SC*.EExtended strand (participates in β ladder)trans-98.220.6175.5-74.1-72.7000113.5R379 K481R379-N483 PolarHBondContact NH2-O 3.22Å; K481-N483 VanDerWaalsContact C-N 3.27Å; K481-N483 PolarHBondContact O-N 3.36Å
484G96.2Very high96.7Very high13 Ų1344.8 Ų44.813%0.13420%0.203CC..EExtended strand (participates in β ladder)trans-84.2158.1178.500000113.3D452 K481D452-G484 CarbonylContact O-C 3.57Å; D452-G484 WeakPolarHBondContact O-CA 3.44Å; K481-G484 WeakPolarHBondContact O-CA 3.42Å; K481-G484 PolarHBondContact O-N 2.87Å
485F98Very high96.8Very high43 Ų4343 Ų4319%0.18919%0.194CC..EExtended strand (participates in β ladder)trans-96.7162.9179.1-59-60.7000112T377 R379 V380 D452 L453 I454 L480 F609T377-F485 HydrophobicContact CG2-CE2 4.43Å; R379-F485 HydrophobicContact CB-CE2 4.2Å; V380-F485 HydrophobicContact CG2-CD2 3.71Å; V380-F485 HydrophobicContact CG2-CE2 4.2Å; D452-F485 PolarHBondContact O-N 2.89Å; L453-F485 WeakPolarHBondContact CA-O 3.27Å; L453-F485 HydrophobicContact CD1-CB 3.85Å; I454-F485 PolarHBondContact N-O 3.07Å; L480-F485 WeakPolarHBondContact CD1-O 3.46Å; F485-F609 HydrophobicContact CB-CE2 4.19Å; F485-F609 AromaticContact CD1-CE2 3.99Å; F485-F609 HydrophobicContact CD1-CE2 3.99Å; F485-F609 HydrophobicContact CD2-CE2 4.11Å; F485-F609 HydrophobicContact CD2-CZ 4.42Å; F485-F609 HydrophobicContact CE1-CE2 4.35Å; F485-F609 HydrophobicContact CE1-CZ 4.46Å; F485-F609 HydrophobicContact CE2-CE2 4.46Å; F485-F609 HydrophobicContact CE2-CZ 4.34Å; F485-F609 AromaticContact CG-CE2 3.86Å; F485-F609 HydrophobicContact CG-CE2 3.86Å; F485-F609 HydrophobicContact CZ-CZ 4.36Å
486I98.3Very high96.7Very high1 Ų143 Ų431%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-131139.2170.1-54.9-179000108.1I454 L472 K476 L480 P488 S489 F570I454-I486 HydrophobicContact CB-CG1 4.39Å; I454-I486 HydrophobicContact CB-CG2 4.41Å; I454-I486 HydrophobicContact CG2-CG2 4.25Å; I454-I486 CarbonylContact O-C 3.56Å; I454-I486 WeakPolarHBondContact O-CA 3.45Å; L472-I486 HydrophobicContact CD1-CG2 4.07Å; L472-I486 HydrophobicContact CD2-CG2 3.91Å; K476-I486 HydrophobicContact CB-CD1 4.31Å; K476-I486 HydrophobicContact CD-CD1 3.99Å; K476-I486 HydrophobicContact CG-CD1 4.24Å; L480-I486 HydrophobicContact CD2-CD1 3.94Å; L480-I486 HydrophobicContact CD2-CG1 3.69Å; I486-P488 CarbonylContact C-O 3.55Å; I486-P488 WeakPolarHBondContact CG2-O 3.48Å; I486-P488 CarbonylContact O-C 3.58Å; I486-S489 VanDerWaalsContact O-CA 3.3Å; I486-S489 WeakPolarHBondContact O-CA 3.42Å; I486-S489 PolarHBondContact O-N 3.19Å; I486-F570 WeakPolarHBondContact CD1-O 3.41Å; I486-F570 HydrophobicContact CG2-CB 4.48Å
487I98.5Very high96.7Very high0 Ų041.5 Ų41.50%019%0.187CC..EExtended strand (participates in β ladder)trans-122.5119.8170-65.1171.3000107.1Y367 A370 I371 A374 L453 I454 V455 T456 L608 F609Y367-I487 HydrophobicContact CD1-CG2 4.15Å; Y367-I487 HydrophobicContact CE1-CG2 3.79Å; A370-I487 HydrophobicContact CB-CD1 4.13Å; A370-I487 HydrophobicContact CB-CG2 4.38Å; I371-I487 HydrophobicContact CG1-CD1 4.16Å; A374-I487 HydrophobicContact CB-CD1 4.1Å; L453-I487 HydrophobicContact CD1-CB 4.47Å; L453-I487 HydrophobicContact CD1-CD1 3.83Å; L453-I487 HydrophobicContact CD1-CG1 3.82Å; L453-I487 HydrophobicContact CD2-CD1 4.16Å; I454-I487 PolarHBondContact O-N 3.44Å; V455-I487 CarbonylContact C-O 3.44Å; V455-I487 WeakPolarHBondContact CA-O 3.34Å; V455-I487 HydrophobicContact CB-CB 4.46Å; V455-I487 HydrophobicContact CG2-CB 4.13Å; V455-I487 HydrophobicContact CG2-CG2 4.1Å; T456-I487 PolarHBondContact N-O 2.85Å; I487-L608 HydrophobicContact CG2-CB 4.02Å; I487-L608 HydrophobicContact CG2-CD2 4.32Å; I487-F609 HydrophobicContact CD1-CB 4.47Å; I487-F609 HydrophobicContact CD1-CD2 4.5Å; I487-F609 HydrophobicContact CG1-CB 4.41Å; I487-F609 HydrophobicContact CG1-CD2 4.3Å
488P98.1Very high96.8Very high0 Ų035 Ų350%016%0.163CC..SBendcis-64.3147.7-329.3-36.9000113.1T456 M459 I468 I486 F570 A606 L608T456-P488 WeakPolarHBondContact O-CD 3.05Å; M459-P488 HydrophobicContact CE-CG 4.43Å; M459-P488 HydrophobicContact SD-CG 3.91Å; I468-P488 HydrophobicContact CD1-CG 4.17Å; I486-P488 CarbonylContact C-O 3.55Å; I486-P488 WeakPolarHBondContact CG2-O 3.48Å; I486-P488 CarbonylContact O-C 3.58Å; P488-F570 HydrophobicContact CB-CD2 4.17Å; P488-F570 HydrophobicContact CB-CE2 4.09Å; P488-F570 HydrophobicContact CG-CD2 3.87Å; P488-F570 HydrophobicContact CG-CE2 3.66Å; P488-F570 WeakPolarHBondContact O-CD2 3.38Å; P488-A606 HydrophobicContact CB-CB 4.24Å; P488-L608 HydrophobicContact CB-CD2 4.14Å
489S97.6Very high96.7Very high20 Ų2033.3 Ų33.314%0.1416%0.158CC..  trans-80.9-42.1-179.865.90000112.5I486 F570 S571 C607 L608I486-S489 VanDerWaalsContact O-CA 3.3Å; I486-S489 WeakPolarHBondContact O-CA 3.42Å; I486-S489 PolarHBondContact O-N 3.19Å; S489-F570 WeakPolarHBondContact O-CB 3.43Å; S489-F570 PolarHBondContact O-N 3.16Å; S489-S571 PolarHBondContact O-N 3.05Å; S489-S571 PolarHBondContact O-OG 2.91Å; S489-C607 PolarHBondContact N-O 3.35Å; S489-C607 PolarHBondContact OG-O 3.37Å; S489-L608 PolarHBondContact N-O 2.77Å
490R97.4Very high96.5Very high108 Ų10833.4 Ų33.441%0.40816%0.158SC..EExtended strand (participates in β ladder)trans-151.3159.217564175.5177.8125.43.5110.5E567 I568 D569 C607R490-E567 IonicContact CZ-OE1 3.27Å; R490-E567 IonicContact NH1-OE1 2.78Å; R490-E567 PolarHBondContact NH1-OE1 2.85Å; R490-I568 CarbonylContact C-O 3.46Å; R490-I568 WeakPolarHBondContact CA-O 3.32Å; R490-I568 WeakPolarHBondContact CB-O 3.41Å; R490-D569 HydrophobicContact CB-CB 4.49Å; R490-C607 HydrophobicContact CG-CB 3.58Å; R490-C607 PolarHBondContact N-O 2.88Å; R490-C607 PolarHBondContact O-N 2.74Å
491A97.6Very high96Very high2 Ų237.4 Ų37.42%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-141.1150.7172.400000112.4L463 E567 I568 F570 R605 A606L463-A491 HydrophobicContact CD1-CB 3.76Å; L463-A491 HydrophobicContact CD2-CB 3.61Å; L463-A491 HydrophobicContact CG-CB 4.35Å; A491-E567 WeakPolarHBondContact O-CA 3.29Å; A491-I568 HydrophobicContact CB-CG2 4.29Å; A491-I568 PolarHBondContact N-O 3.45Å; A491-I568 PolarHBondContact O-N 3.44Å; A491-F570 HydrophobicContact CB-CE2 3.66Å; A491-F570 HydrophobicContact CB-CZ 3.99Å; A491-R605 CarbonylContact C-O 3.54Å; A491-R605 VanDerWaalsContact CA-O 3.22Å; A491-R605 WeakPolarHBondContact CA-O 3.46Å; A491-A606 HydrophobicContact CB-CB 4.46Å
492A97.1Very high95.6Very high11 Ų1135.6 Ų35.69%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-128.1123.7179.500000110.1L564 D566 E567 F604 R605A492-L564 HydrophobicContact CB-CD1 3.91Å; A492-D566 CarbonylContact C-O 3.56Å; A492-D566 WeakPolarHBondContact CA-O 3.32Å; A492-E567 HydrophobicContact CB-CB 4.3Å; A492-E567 HydrophobicContact CB-CG 4.12Å; A492-F604 CarbonylContact O-C 3.59Å; A492-F604 VanDerWaalsContact O-CA 3.27Å; A492-F604 WeakPolarHBondContact O-CA 3.49Å; A492-R605 PolarHBondContact N-O 2.85Å; A492-R605 PolarHBondContact O-N 3.06Å
493V97.6Very high95.5Very high2 Ų227 Ų271%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-88.5131.1175.2-176.10000109L463 F464 L564 V565 D566 C602 F604 L654L463-V493 HydrophobicContact CB-CG2 4.13Å; L463-V493 HydrophobicContact CD2-CG2 3.56Å; F464-V493 HydrophobicContact CE2-CG2 3.97Å; F464-V493 HydrophobicContact CZ-CG2 4.34Å; V493-L564 WeakPolarHBondContact O-CD1 3.48Å; V493-V565 HydrophobicContact CB-CB 4.16Å; V493-V565 HydrophobicContact CG1-CB 3.97Å; V493-V565 HydrophobicContact CG1-CG1 4.27Å; V493-V565 HydrophobicContact CG1-CG2 4.45Å; V493-V565 PolarHBondContact O-N 3.38Å; V493-D566 PolarHBondContact N-O 3.18Å; V493-D566 PolarHBondContact O-N 3.25Å; V493-C602 HydrophobicContact CG1-CB 4.44Å; V493-F604 HydrophobicContact CG2-CB 4.49Å; V493-L654 HydrophobicContact CG1-CD2 3.89Å
494W97.7Very high95.5Very high81 Ų8122.9 Ų22.931%0.30711%0.113SC..EExtended strand (participates in β ladder)trans-119.5152.6177.6-70.477.8000109.6P562 F563 L564 C602 W603W494-P562 HydrophobicContact CE3-CB 4Å; W494-P562 HydrophobicContact CZ3-CB 4.46Å; W494-F563 CarbonylContact C-O 3.58Å; W494-F563 WeakPolarHBondContact CA-O 3.38Å; W494-L564 HydrophobicContact CD2-CD1 4.42Å; W494-L564 HydrophobicContact CZ2-CD1 4.23Å; W494-C602 CarbonylContact O-C 3.47Å; W494-C602 VanDerWaalsContact O-CA 3.3Å; W494-C602 WeakPolarHBondContact O-CA 3.48Å; W494-W603 HydrophobicContact CB-CD2 4.15Å; W494-W603 HydrophobicContact CB-CH2 4.49Å; W494-W603 HydrophobicContact CB-CZ2 3.77Å; W494-W603 PolarHBondContact N-O 3.04Å; W494-W603 PolarHBondContact O-N 3.26Å
495A97.4Very high95.2Very high0 Ų025.1 Ų25.10%012%0.122CC..EExtended strand (participates in β ladder)trans-145.3167.7174.500000113.6P562 F563 V565 I600 V601 C602A495-P562 CarbonylContact O-C 3.56Å; A495-P562 WeakPolarHBondContact O-CA 3.4Å; A495-F563 HydrophobicContact CB-CD2 4.39Å; A495-F563 HydrophobicContact CB-CE1 4.42Å; A495-F563 HydrophobicContact CB-CE2 3.75Å; A495-F563 HydrophobicContact CB-CZ 3.76Å; A495-F563 PolarHBondContact N-O 2.97Å; A495-F563 VanDerWaalsContact O-CD1 3.26Å; A495-F563 WeakPolarHBondContact O-CD1 3.35Å; A495-F563 WeakPolarHBondContact O-CE1 3.26Å; A495-F563 PolarHBondContact O-N 3.05Å; A495-V565 HydrophobicContact CB-CG2 3.47Å; A495-V565 VanDerWaalsContact CB-CG2 3.47Å; A495-I600 HydrophobicContact CB-CG2 3.83Å; A495-V601 CarbonylContact C-O 3.53Å; A495-V601 WeakPolarHBondContact CA-O 3.41Å; A495-V601 WeakPolarHBondContact CB-O 3.46Å; A495-C602 HydrophobicContact CB-CB 4.49Å
496A96.3Very high94.8Very high0 Ų024.6 Ų24.60%012%0.122CC..EExtended strand (participates in β ladder)trans-143.1156.916400000111W558 T560 V601 W603A496-W558 HydrophobicContact CB-CE3 3.43Å; A496-W558 VanDerWaalsContact CB-CE3 3.43Å; A496-W558 HydrophobicContact CB-CZ3 3.41Å; A496-W558 VanDerWaalsContact CB-CZ3 3.41Å; A496-T560 WeakPolarHBondContact CA-OG1 3.34Å; A496-V601 PolarHBondContact N-O 2.97Å; A496-V601 PolarHBondContact O-N 2.8Å; A496-W603 HydrophobicContact CB-CH2 4.26Å; A496-W603 HydrophobicContact CB-CZ3 4.26Å
497L96.2Very high94.5Very high0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-85.1136.9167.5-58.5-177.9000109.9L559 T560 F563 V589 L591 V597 I600 V643 I645L497-L559 HydrophobicContact CB-CB 4.4Å; L497-L559 PolarHBondContact O-N 3.06Å; L497-T560 HydrophobicContact CB-CG2 3.94Å; L497-T560 HydrophobicContact CD1-CG2 3.98Å; L497-T560 HydrophobicContact CG-CG2 3.95Å; L497-T560 PolarHBondContact N-OG1 3.08Å; L497-T560 PolarHBondContact O-N 2.97Å; L497-F563 HydrophobicContact CG-CE1 4.45Å; L497-V589 HydrophobicContact CD1-CG2 3.73Å; L497-V589 HydrophobicContact CG-CG2 4.36Å; L497-L591 HydrophobicContact CD1-CD2 3.78Å; L497-V597 HydrophobicContact CB-CG1 4.2Å; L497-V597 HydrophobicContact CB-CG2 4.49Å; L497-V597 HydrophobicContact CD1-CG1 4.21Å; L497-V597 HydrophobicContact CD1-CG2 4.08Å; L497-V597 HydrophobicContact CD2-CG1 3.92Å; L497-V597 HydrophobicContact CG-CG1 4.34Å; L497-I600 HydrophobicContact CD2-CB 4.35Å; L497-I600 HydrophobicContact CD2-CD1 4.48Å; L497-I600 HydrophobicContact CD2-CG1 3.76Å; L497-I600 HydrophobicContact CD2-CG2 4.35Å; L497-V643 HydrophobicContact CD1-CB 4.14Å; L497-V643 HydrophobicContact CD1-CG1 3.9Å; L497-V643 HydrophobicContact CD1-CG2 4.26Å; L497-I645 HydrophobicContact CD1-CD1 4.35Å; L497-I645 HydrophobicContact CD2-CD1 3.78Å; L497-I645 HydrophobicContact CG-CD1 4.24Å
498V95.5Very high94.2Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-129.9157.5179.4-55.60000112.5R557 W558 D598 A599 V601V498-R557 WeakPolarHBondContact CA-O 3.43Å; V498-W558 HydrophobicContact CG1-CD2 4.39Å; V498-W558 HydrophobicContact CG1-CE3 4.45Å; V498-D598 PolarHBondContact O-N 3.08Å; V498-A599 HydrophobicContact CG2-CB 3.89Å; V498-A599 PolarHBondContact N-O 3.05Å; V498-A599 PolarHBondContact O-N 2.82Å; V498-V601 HydrophobicContact CB-CG2 4.33Å; V498-V601 HydrophobicContact CG1-CB 4.31Å; V498-V601 HydrophobicContact CG1-CG2 3.73Å; V498-V601 HydrophobicContact CG2-CG2 3.6Å
499E95.2Very high93.9Very high38 Ų3825 Ų2518%0.17812%0.124CC..EExtended strand (participates in β ladder)trans-111.6129.2166.3-174.2-175.1-107.900107.5C556 R557 L559 G595 R596 D598E499-C556 CarbonylContact O-C 3.52Å; E499-C556 WeakPolarHBondContact O-CA 3.49Å; E499-R557 HydrophobicContact CB-CB 4.34Å; E499-R557 PolarHBondContact N-O 3.4Å; E499-R557 PolarHBondContact O-N 2.85Å; E499-R557 IonicContact OE1-NH2 3.03Å; E499-R557 PolarHBondContact OE1-NH2 3.05Å; E499-R557 IonicContact OE2-CZ 2.67Å; E499-R557 IonicContact OE2-NE 2.66Å; E499-R557 PolarHBondContact OE2-NE 3.25Å; E499-R557 IonicContact OE2-NH2 2.65Å; E499-R557 PolarHBondContact OE2-NH2 3.45Å; E499-L559 HydrophobicContact CB-CD1 4.1Å; E499-L559 HydrophobicContact CB-CD2 4.23Å; E499-L559 HydrophobicContact CB-CG 4.14Å; E499-G595 WeakPolarHBondContact OE1-CA 3.44Å; E499-R596 WeakPolarHBondContact CA-O 3.35Å; E499-R596 WeakPolarHBondContact CB-O 3.38Å; E499-R596 HydrophobicContact CG-CB 4.4Å; E499-R596 WeakPolarHBondContact CG-O 3.4Å; E499-R596 PolarHBondContact OE1-N 3.4Å; E499-D598 VanDerWaalsContact CA-OD2 3.26Å; E499-D598 WeakPolarHBondContact CA-OD2 3.22Å; E499-D598 WeakPolarHBondContact CG-OD2 3.42Å
500S92.7Very high93.6Very high1 Ų126.2 Ų26.21%0.00713%0.127CC..  trans-159.2108.7-177.3-1790000110.8A502 I503 R504 D598S500-A502 PolarHBondContact O-N 3.19Å; S500-I503 PolarHBondContact O-N 3.05Å; S500-R504 PolarHBondContact O-N 3.02Å; S500-D598 PolarHBondContact N-OD2 3.19Å
501D88.9Confident93.2Very high86 Ų8623.9 Ų23.946%0.4613%0.126SC..Hα-helixtrans-55.3-34.6179.1-64.5-17.5000113R504 N505D501-R504 IonicContact OD1-CZ 3.47Å; D501-R504 IonicContact OD1-NH1 3.98Å; D501-R504 IonicContact OD1-NH2 2.67Å; D501-R504 PolarHBondContact OD1-NH2 3.47Å; D501-N505 WeakPolarHBondContact O-CB 3.45Å; D501-N505 PolarHBondContact O-N 2.82Å; D501-N505 PolarHBondContact O-ND2 2.84Å; D501-N505 PolarHBondContact O-OD1 3.27Å
502A87.1Confident92.9Very high33 Ų3326.8 Ų26.827%0.27314%0.136SC..Hα-helixtrans-72.8-45-178.800000112.2S500 R504 N505 D506 Y553S500-A502 PolarHBondContact O-N 3.19Å; A502-R504 VanDerWaalsContact C-N 3.29Å; A502-R504 PolarHBondContact O-N 3.17Å; A502-N505 PolarHBondContact O-N 3.5Å; A502-D506 PolarHBondContact O-N 2.95Å; A502-Y553 HydrophobicContact CB-CD1 3.79Å; A502-Y553 HydrophobicContact CB-CE1 3.67Å
503I90.9Very high92.5Very high4 Ų431.4 Ų31.42%0.02116%0.159CC..Hα-helixtrans-61.9-42174.2-60.9170.5000109.2S500 N505 D506 H507 I550 Y553 A599 V628 P630S500-I503 PolarHBondContact O-N 3.05Å; I503-N505 PolarHBondContact O-N 2.97Å; I503-D506 PolarHBondContact O-N 3.05Å; I503-H507 WeakPolarHBondContact O-CB 3.25Å; I503-H507 PolarHBondContact O-CD2 3.27Å; I503-H507 VanDerWaalsContact O-CD2 3.25Å; I503-H507 PolarHBondContact O-N 2.98Å; I503-H507 VanDerWaalsContact O-N 3.16Å; I503-I550 HydrophobicContact CD1-CD1 3.77Å; I503-Y553 HydrophobicContact CG1-CD1 4.46Å; I503-Y553 HydrophobicContact CG1-CE1 4.26Å; I503-A599 HydrophobicContact CG2-CB 4.1Å; I503-V628 HydrophobicContact CD1-CG1 4.05Å; I503-V628 HydrophobicContact CG2-CG1 4.04Å; I503-P630 HydrophobicContact CG2-CB 4.29Å
504R91.3Very high92.1Very high37 Ų3731.8 Ų31.814%0.1416%0.161CC..Hα-helixtrans-62.1-43.4175-171.2174.556.2-97.9-7.3112.1S500 D501 A502 D506 H507 V508 E510 D598S500-R504 PolarHBondContact O-N 3.02Å; D501-R504 IonicContact OD1-CZ 3.47Å; D501-R504 IonicContact OD1-NH1 3.98Å; D501-R504 IonicContact OD1-NH2 2.67Å; D501-R504 PolarHBondContact OD1-NH2 3.47Å; A502-R504 VanDerWaalsContact C-N 3.29Å; A502-R504 PolarHBondContact O-N 3.17Å; R504-D506 PolarHBondContact O-N 2.94Å; R504-H507 PolarHBondContact O-N 3.32Å; R504-V508 HydrophobicContact CG-CB 3.94Å; R504-V508 HydrophobicContact CG-CG1 4.48Å; R504-V508 HydrophobicContact CG-CG2 4.41Å; R504-V508 WeakPolarHBondContact O-CA 3.17Å; R504-V508 PolarHBondContact O-N 3Å; R504-V508 VanDerWaalsContact O-O 3.08Å; R504-E510 IonicContact NE-OE2 3.03Å; R504-D598 HydrophobicContact CB-CB 4.47Å; R504-D598 WeakPolarHBondContact CD-OD1 3.33Å; R504-D598 IonicContact CZ-OD1 2.67Å; R504-D598 IonicContact NE-OD1 3.84Å; R504-D598 IonicContact NH1-OD1 3.7Å; R504-D598 PolarHBondContact NH1-OD1 3.05Å; R504-D598 IonicContact NH1-OD2 2.69Å; R504-D598 PolarHBondContact NH1-OD2 3.42Å
505N90.4Very high91.7Very high60 Ų6028.8 Ų28.832%0.32115%0.153SC..Hα-helixtrans-63.4-38.4179.2-73.5-18.7000113D501 A502 I503 H507 N681D501-N505 WeakPolarHBondContact O-CB 3.45Å; D501-N505 PolarHBondContact O-N 2.82Å; D501-N505 PolarHBondContact O-ND2 2.84Å; D501-N505 PolarHBondContact O-OD1 3.27Å; A502-N505 PolarHBondContact O-N 3.5Å; I503-N505 PolarHBondContact O-N 2.97Å; N505-H507 VanDerWaalsContact C-N 3.33Å; N505-N681 HydrophobicContact CB-CB 4.37Å; N505-N681 PolarHBondContact O-ND2 3.06Å
506D89.3Confident91Very high33 Ų3331.4 Ų31.418%0.17617%0.17CC..Hα-helixtrans-78.9-15.2-179.8-73.31000112.5A502 I503 R504 S674 A678 K933A502-D506 PolarHBondContact O-N 2.95Å; I503-D506 PolarHBondContact O-N 3.05Å; R504-D506 PolarHBondContact O-N 2.94Å; D506-S674 CarbonylContact O-C 3.6Å; D506-S674 WeakPolarHBondContact O-CA 3.41Å; D506-S674 WeakPolarHBondContact O-CB 3.48Å; D506-S674 VanDerWaalsContact O-O 3.09Å; D506-A678 HydrophobicContact CB-CB 4.42Å; D506-A678 WeakPolarHBondContact OD1-CB 3.46Å; D506-K933 IonicContact OD2-NZ 3.07Å; D506-K933 PolarHBondContact OD2-NZ 3.02Å; D506-K933 VanDerWaalsContact OD2-NZ 3.17Å
507H91.7Very high90.2Very high7 Ų734.9 Ų34.93%0.03221%0.206CC..Hα-helixtrans-126.1-16.6-172.7-68.7-74.1000117.9I503 R504 N505 S526 C529 P630 S674I503-H507 WeakPolarHBondContact O-CB 3.25Å; I503-H507 PolarHBondContact O-CD2 3.27Å; I503-H507 VanDerWaalsContact O-CD2 3.25Å; I503-H507 PolarHBondContact O-N 2.98Å; I503-H507 VanDerWaalsContact O-N 3.16Å; R504-H507 PolarHBondContact O-N 3.32Å; N505-H507 VanDerWaalsContact C-N 3.33Å; H507-S526 WeakPolarHBondContact CA-OG 3.46Å; H507-S526 WeakPolarHBondContact CB-OG 3.43Å; H507-S526 PolarHBondContact ND1-OG 3.46Å; H507-S526 PolarHBondContact O-N 3.36Å; H507-S526 PolarHBondContact O-OG 3.45Å; H507-C529 HydrophobicContact CB-CB 4.44Å; H507-P630 HydrophobicContact CB-CB 3.57Å; H507-P630 HydrophobicContact CB-CG 4.11Å; H507-P630 VanDerWaalsContact CG-CG 3.47Å; H507-S674 PolarHBondContact CE1-OG 3.23Å; H507-S674 PolarHBondContact ND1-OG 3.39Å
508V92.6Very high89.7Confident3 Ų335.1 Ų35.12%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-138116.8-176.9-179.40000111.4R504 E510 L525 Y632 N681R504-V508 HydrophobicContact CG-CB 3.94Å; R504-V508 HydrophobicContact CG-CG1 4.48Å; R504-V508 HydrophobicContact CG-CG2 4.41Å; R504-V508 WeakPolarHBondContact O-CA 3.17Å; R504-V508 PolarHBondContact O-N 3Å; R504-V508 VanDerWaalsContact O-O 3.08Å; V508-E510 HydrophobicContact CG1-CG 3.88Å; V508-L525 HydrophobicContact CB-CD2 4.18Å; V508-L525 HydrophobicContact CG1-CD2 3.83Å; V508-L525 HydrophobicContact CG2-CD2 3.9Å; V508-Y632 HydrophobicContact CG1-CD2 3.67Å; V508-Y632 HydrophobicContact CG1-CE2 4.21Å; V508-Y632 HydrophobicContact CG1-CG 4.43Å; V508-N681 PolarHBondContact O-ND2 3.28Å
509F92.5Very high89.1Confident0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-94.4131162.3-173.6-88.3000110.3R512 L514 F520 V523 V524 V677 L680 F715F509-R512 HydrophobicContact CE1-CG 4.16Å; F509-R512 HydrophobicContact CE2-CG 4.38Å; F509-R512 HydrophobicContact CZ-CG 3.61Å; F509-L514 HydrophobicContact CZ-CD2 4.42Å; F509-F520 HydrophobicContact CD1-CD1 4.06Å; F509-F520 HydrophobicContact CE1-CB 4.2Å; F509-F520 AromaticContact CE1-CD1 3.71Å; F509-F520 HydrophobicContact CE1-CD1 3.71Å; F509-F520 HydrophobicContact CE1-CG 4.33Å; F509-V523 WeakPolarHBondContact O-CA 3.49Å; F509-V523 WeakPolarHBondContact O-CG1 3.4Å; F509-V524 HydrophobicContact CB-CB 3.95Å; F509-V524 HydrophobicContact CB-CG2 4.32Å; F509-V524 HydrophobicContact CD1-CG2 4.43Å; F509-V524 PolarHBondContact N-O 3.36Å; F509-V524 PolarHBondContact O-N 3.29Å; F509-V677 HydrophobicContact CB-CG1 4.25Å; F509-L680 HydrophobicContact CD2-CB 3.75Å; F509-L680 HydrophobicContact CE2-CB 4.27Å; F509-L680 WeakPolarHBondContact CE2-O 3.38Å; F509-L680 HydrophobicContact CG-CB 4.32Å; F509-F715 HydrophobicContact CD2-CE2 4.24Å; F509-F715 HydrophobicContact CE1-CE2 4.36Å; F509-F715 AromaticContact CE1-CZ 3.91Å; F509-F715 HydrophobicContact CE1-CZ 3.91Å; F509-F715 AromaticContact CE2-CE2 3.51Å; F509-F715 HydrophobicContact CE2-CE2 3.51Å; F509-F715 AromaticContact CE2-CZ 3.9Å; F509-F715 HydrophobicContact CE2-CZ 3.9Å; F509-F715 AromaticContact CZ-CE2 3.57Å; F509-F715 HydrophobicContact CZ-CE2 3.57Å; F509-F715 AromaticContact CZ-CZ 3.55Å; F509-F715 HydrophobicContact CZ-CZ 3.55Å
510E90.7Very high88.8Confident44 Ų4439.9 Ų39.921%0.20622%0.223CC..  trans-110.1142.7-176.4-56.8-168.687.400112.7R504 V508 R512 R596R504-E510 IonicContact NE-OE2 3.03Å; V508-E510 HydrophobicContact CG1-CG 3.88Å; E510-R512 WeakPolarHBondContact O-CG 3.31Å; E510-R512 PolarHBondContact O-N 3.33Å; E510-R512 VanDerWaalsContact O-N 3.16Å; E510-R512 PolarHBondContact O-NE 3.33Å; E510-R596 IonicContact OE1-CZ 3.95Å; E510-R596 IonicContact OE1-NH1 2.96Å; E510-R596 PolarHBondContact OE1-NH1 2.86Å; E510-R596 IonicContact OE1-NH2 3.13Å; E510-R596 PolarHBondContact OE1-NH2 3.18Å; E510-R596 IonicContact OE2-CZ 3.32Å; E510-R596 IonicContact OE2-NH1 3.79Å; E510-R596 PolarHBondContact OE2-NH1 2.72Å; E510-R596 IonicContact OE2-NH2 3.33Å
511P89.1Confident88.4Confident59 Ų5943.5 Ų43.538%0.38325%0.247SC..  trans-47.7118.7175.7-29.134.3000112.9F520 P521 V523P511-F520 VanDerWaalsContact CA-O 3.29Å; P511-F520 WeakPolarHBondContact CA-O 3.24Å; P511-P521 WeakPolarHBondContact CB-O 3.44Å; P511-P521 WeakPolarHBondContact CG-O 3.3Å; P511-V523 HydrophobicContact CG-CG2 4.05Å
512R90.1Very high88.4Confident64 Ų6440.5 Ų40.524%0.24223%0.232CC..EExtended strand (participates in β ladder)trans-152.4156.6-174.964.5-17267.6164.3-1.1112.5F509 E510 L514 F520 N681F509-R512 HydrophobicContact CE1-CG 4.16Å; F509-R512 HydrophobicContact CE2-CG 4.38Å; F509-R512 HydrophobicContact CZ-CG 3.61Å; E510-R512 WeakPolarHBondContact O-CG 3.31Å; E510-R512 PolarHBondContact O-N 3.33Å; E510-R512 VanDerWaalsContact O-N 3.16Å; E510-R512 PolarHBondContact O-NE 3.33Å; R512-L514 HydrophobicContact CG-CD2 4.27Å; R512-F520 PolarHBondContact N-O 3Å; R512-F520 VanDerWaalsContact N-O 3.12Å; R512-F520 PolarHBondContact O-N 3.13Å; R512-N681 VanDerWaalsContact CZ-OD1 3.29Å; R512-N681 PolarHBondContact NH1-OD1 3.4Å; R512-N681 PolarHBondContact NH2-OD1 2.99Å; R512-N681 VanDerWaalsContact NH2-OD1 3.13Å
513D89.5Confident88.5Confident107 Ų10739.2 Ų39.257%0.57222%0.221SC*.EExtended strand (participates in β ladder)trans-73.8135.7168.2-57.5-40.3000108.9R519D513-R519 VanDerWaalsContact OD1-CD 3.26Å; D513-R519 WeakPolarHBondContact OD1-CD 3.35Å; D513-R519 VanDerWaalsContact OD1-CG 3.25Å; D513-R519 WeakPolarHBondContact OD1-CG 3.4Å; D513-R519 IonicContact OD1-CZ 2.74Å; D513-R519 IonicContact OD1-NE 3.79Å; D513-R519 IonicContact OD1-NH1 2.68Å; D513-R519 PolarHBondContact OD1-NH1 3.5Å; D513-R519 IonicContact OD2-NH1 3.08Å
514L89.4Confident88.4Confident10 Ų1039 Ų395%0.05222%0.22CC..  trans-107.6166.8-178.3-67.8177.7000109.8F509 R512 M518 F520 M683 L686 F715F509-L514 HydrophobicContact CZ-CD2 4.42Å; R512-L514 HydrophobicContact CG-CD2 4.27Å; L514-M518 HydrophobicContact CB-CB 3.96Å; L514-M518 HydrophobicContact CD1-CE 4.39Å; L514-M518 PolarHBondContact N-O 2.93Å; L514-F520 HydrophobicContact CD1-CB 4.08Å; L514-M683 HydrophobicContact CD2-CE 4.12Å; L514-M683 HydrophobicContact CD2-SD 4.16Å; L514-L686 HydrophobicContact CD2-CD2 4.14Å; L514-F715 HydrophobicContact CD1-CD1 3.68Å; L514-F715 HydrophobicContact CD1-CD2 4.22Å; L514-F715 HydrophobicContact CD1-CE1 3.82Å; L514-F715 HydrophobicContact CD1-CE2 4.32Å; L514-F715 HydrophobicContact CD1-CG 3.91Å; L514-F715 HydrophobicContact CD1-CZ 4.14Å; L514-F715 HydrophobicContact CD2-CD2 4.32Å; L514-F715 HydrophobicContact CD2-CE2 4.32Å
515P88.3Confident88.3Confident19 Ų1937.8 Ų37.812%0.12322%0.216CC..G310 helixtrans-58.2155.5179.3-2435.2000113.1G517 M683 L686P515-G517 PolarHBondContact O-N 3.39Å; P515-M683 HydrophobicContact CG-CE 4.37Å; P515-L686 HydrophobicContact CG-CD2 4.25Å; P515-L686 HydrophobicContact CG-CG 4.32Å
516C82.9Confident88.2Confident54 Ų5434.9 Ų34.937%0.36520%0.2SC..G310 helixtrans6123.9-177.6-67.60000115.7M518 L719 K722C516-M518 VanDerWaalsContact C-N 3.28Å; C516-M518 PolarHBondContact O-N 2.9Å; C516-L719 HydrophobicContact CB-CD1 3.82Å; C516-K722 HydrophobicContact CB-CG 4.48Å
517G80.8Confident87.9Confident73 Ų7333.9 Ų33.975%0.75320%0.196SC*.G310 helixtrans79.19.7172.400000114.3P515P515-G517 PolarHBondContact O-N 3.39Å
518M84.6Confident87.5Confident6 Ų634.3 Ų34.33%0.0320%0.198CC..  trans-68.9155.7166.1-70.4160.452.200110L514 C516 S718 L719 K722 L743L514-M518 HydrophobicContact CB-CB 3.96Å; L514-M518 HydrophobicContact CD1-CE 4.39Å; L514-M518 PolarHBondContact N-O 2.93Å; C516-M518 VanDerWaalsContact C-N 3.28Å; C516-M518 PolarHBondContact O-N 2.9Å; M518-S718 VanDerWaalsContact CE-CB 3.43Å; M518-L719 HydrophobicContact SD-CB 4.22Å; M518-L719 HydrophobicContact SD-CD1 4.29Å; M518-K722 HydrophobicContact CG-CB 4.33Å; M518-K722 HydrophobicContact CG-CD 4.41Å; M518-K722 HydrophobicContact CG-CG 4.13Å; M518-K722 HydrophobicContact SD-CB 3.88Å; M518-K722 HydrophobicContact SD-CG 4.3Å; M518-L743 HydrophobicContact CE-CD2 4.44Å
519R84Confident87.2Confident137 Ų13735 Ų3552%0.51720%0.203SC..EExtended strand (participates in β ladder)trans-141.3132.8172.9179.1-178.2-178.4114.1-8.5108.8D513 A746D513-R519 VanDerWaalsContact OD1-CD 3.26Å; D513-R519 WeakPolarHBondContact OD1-CD 3.35Å; D513-R519 VanDerWaalsContact OD1-CG 3.25Å; D513-R519 WeakPolarHBondContact OD1-CG 3.4Å; D513-R519 IonicContact OD1-CZ 2.74Å; D513-R519 IonicContact OD1-NE 3.79Å; D513-R519 IonicContact OD1-NH1 2.68Å; D513-R519 PolarHBondContact OD1-NH1 3.5Å; D513-R519 IonicContact OD2-NH1 3.08Å; R519-A746 WeakPolarHBondContact O-CB 3.47Å
520F88Confident86.2Confident0 Ų035.8 Ų35.80%021%0.208CC..EExtended strand (participates in β ladder)trans-101.9112.2169-164.6-103.7000108.1F509 P511 R512 L514 T522 V524 L670 F715 I739 Q742 L743F509-F520 HydrophobicContact CD1-CD1 4.06Å; F509-F520 HydrophobicContact CE1-CB 4.2Å; F509-F520 AromaticContact CE1-CD1 3.71Å; F509-F520 HydrophobicContact CE1-CD1 3.71Å; F509-F520 HydrophobicContact CE1-CG 4.33Å; P511-F520 VanDerWaalsContact CA-O 3.29Å; P511-F520 WeakPolarHBondContact CA-O 3.24Å; R512-F520 PolarHBondContact N-O 3Å; R512-F520 VanDerWaalsContact N-O 3.12Å; R512-F520 PolarHBondContact O-N 3.13Å; L514-F520 HydrophobicContact CD1-CB 4.08Å; F520-T522 VanDerWaalsContact C-N 3.32Å; F520-T522 WeakPolarHBondContact CD1-O 3.35Å; F520-T522 VanDerWaalsContact CE1-O 3.27Å; F520-T522 WeakPolarHBondContact CE1-O 3.41Å; F520-T522 PolarHBondContact O-N 2.94Å; F520-V524 HydrophobicContact CE1-CG2 3.71Å; F520-V524 HydrophobicContact CZ-CG2 4.26Å; F520-L670 HydrophobicContact CZ-CD1 4.22Å; F520-F715 HydrophobicContact CB-CE1 4.17Å; F520-F715 HydrophobicContact CB-CZ 4.32Å; F520-F715 HydrophobicContact CD1-CZ 4.43Å; F520-F715 AromaticContact CD2-CE1 3.95Å; F520-F715 HydrophobicContact CD2-CE1 3.95Å; F520-F715 AromaticContact CG-CE1 3.97Å; F520-F715 HydrophobicContact CG-CE1 3.97Å; F520-F715 HydrophobicContact CG-CZ 4.2Å; F520-I739 HydrophobicContact CE2-CG2 4.04Å; F520-I739 HydrophobicContact CZ-CG2 4.08Å; F520-Q742 HydrophobicContact CE2-CB 3.92Å; F520-Q742 HydrophobicContact CZ-CB 4.42Å; F520-L743 HydrophobicContact CD2-CD2 3.72Å; F520-L743 HydrophobicContact CD2-CG 3.81Å; F520-L743 HydrophobicContact CE2-CD2 4.36Å; F520-L743 HydrophobicContact CE2-CG 3.93Å
521P85.1Confident84.8Confident78 Ų7835 Ų3551%0.50620%0.204SC..  trans-85.8-2.3-170.834.8-36.3000113.9P511P511-P521 WeakPolarHBondContact CB-O 3.44Å; P511-P521 WeakPolarHBondContact CG-O 3.3Å
522T87.4Confident83.5Confident23 Ų2337.1 Ų37.114%0.14121%0.209CC..SBendtrans-115.4150.6-165.7-46.50000111.7F520 K668 L670 Q742F520-T522 VanDerWaalsContact C-N 3.32Å; F520-T522 WeakPolarHBondContact CD1-O 3.35Å; F520-T522 VanDerWaalsContact CE1-O 3.27Å; F520-T522 WeakPolarHBondContact CE1-O 3.41Å; F520-T522 PolarHBondContact O-N 2.94Å; T522-K668 VanDerWaalsContact CG2-O 3.28Å; T522-K668 WeakPolarHBondContact CG2-O 3.27Å; T522-L670 HydrophobicContact CG2-CG 4.14Å; T522-Q742 PolarHBondContact OG1-OE1 3.29Å
523V89.2Confident82Confident6 Ų638.1 Ų38.14%0.03622%0.215CC..  trans-80.6136.5173.2-166.90000108.7F509 P511 L525 Y632 A667 A669 L670F509-V523 WeakPolarHBondContact O-CA 3.49Å; F509-V523 WeakPolarHBondContact O-CG1 3.4Å; P511-V523 HydrophobicContact CG-CG2 4.05Å; V523-L525 HydrophobicContact CG1-CD1 4.36Å; V523-L525 HydrophobicContact CG1-CD2 3.59Å; V523-L525 HydrophobicContact CG1-CG 3.82Å; V523-Y632 HydrophobicContact CB-CE1 4.48Å; V523-Y632 HydrophobicContact CG1-CD1 4.29Å; V523-Y632 HydrophobicContact CG1-CD2 4.42Å; V523-Y632 HydrophobicContact CG1-CE1 3.85Å; V523-Y632 HydrophobicContact CG1-CE2 4.03Å; V523-Y632 HydrophobicContact CG2-CE1 4.06Å; V523-Y632 VanDerWaalsContact CG2-OH 3.23Å; V523-Y632 WeakPolarHBondContact CG2-OH 3.37Å; V523-A667 HydrophobicContact CG2-CB 4.24Å; V523-A669 HydrophobicContact CB-CB 3.89Å; V523-A669 HydrophobicContact CG1-CB 4.31Å; V523-A669 VanDerWaalsContact O-CA 3.32Å; V523-A669 WeakPolarHBondContact O-CA 3.27Å; V523-L670 PolarHBondContact O-N 3.18Å
524V89.2Confident80.2Confident0 Ų033.8 Ų33.80%019%0.194CC..EExtended strand (participates in β ladder)trans-116.2126.1165.4-166.30000108.1F509 F520 L670 A672 V677 L680 I739F509-V524 HydrophobicContact CB-CB 3.95Å; F509-V524 HydrophobicContact CB-CG2 4.32Å; F509-V524 HydrophobicContact CD1-CG2 4.43Å; F509-V524 PolarHBondContact N-O 3.36Å; F509-V524 PolarHBondContact O-N 3.29Å; F520-V524 HydrophobicContact CE1-CG2 3.71Å; F520-V524 HydrophobicContact CZ-CG2 4.26Å; V524-L670 WeakPolarHBondContact CA-O 3.49Å; V524-L670 HydrophobicContact CG1-CB 4.22Å; V524-L670 HydrophobicContact CG2-CB 4.39Å; V524-A672 HydrophobicContact CG1-CB 3.62Å; V524-V677 HydrophobicContact CG1-CG2 4.2Å; V524-L680 HydrophobicContact CB-CD1 4.37Å; V524-L680 HydrophobicContact CG1-CD1 4.35Å; V524-L680 HydrophobicContact CG2-CD1 4.19Å; V524-I739 HydrophobicContact CG1-CD1 4.31Å
525L89.7Confident78.3Confident10 Ų1035.8 Ų35.85%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-114142-177.9-60.5177.6000109.5V508 V523 S530 Y632 A669 L670 V671 A672V508-L525 HydrophobicContact CB-CD2 4.18Å; V508-L525 HydrophobicContact CG1-CD2 3.83Å; V508-L525 HydrophobicContact CG2-CD2 3.9Å; V523-L525 HydrophobicContact CG1-CD1 4.36Å; V523-L525 HydrophobicContact CG1-CD2 3.59Å; V523-L525 HydrophobicContact CG1-CG 3.82Å; L525-S530 VanDerWaalsContact CB-OG 3.23Å; L525-S530 WeakPolarHBondContact CB-OG 3.32Å; L525-S530 WeakPolarHBondContact CD1-OG 3.43Å; L525-Y632 HydrophobicContact CD1-CD1 3.78Å; L525-Y632 HydrophobicContact CD1-CG 4.18Å; L525-Y632 HydrophobicContact CD2-CD1 4.06Å; L525-Y632 HydrophobicContact CD2-CD2 4.22Å; L525-Y632 HydrophobicContact CD2-CG 3.71Å; L525-A669 HydrophobicContact CD1-CB 3.73Å; L525-A669 HydrophobicContact CG-CB 4.02Å; L525-L670 PolarHBondContact N-O 3.29Å; L525-V671 WeakPolarHBondContact O-CA 3.39Å; L525-A672 PolarHBondContact O-N 3.23Å
526S88.1Confident76.6Confident0 Ų039.9 Ų39.90%024%0.236CC..EExtended strand (participates in β ladder)trans-63.4150.7170.658.60000110.9H507 I528 C529 S530 A672 S674H507-S526 WeakPolarHBondContact CA-OG 3.46Å; H507-S526 WeakPolarHBondContact CB-OG 3.43Å; H507-S526 PolarHBondContact ND1-OG 3.46Å; H507-S526 PolarHBondContact O-N 3.36Å; H507-S526 PolarHBondContact O-OG 3.45Å; S526-I528 PolarHBondContact O-N 2.74Å; S526-I528 VanDerWaalsContact O-N 3.16Å; S526-C529 CarbonylContact O-C 3.52Å; S526-C529 WeakPolarHBondContact O-CA 3.4Å; S526-C529 PolarHBondContact O-N 3.31Å; S526-C529 WeakPolarHBondContact OG-CB 3.32Å; S526-C529 PolarHBondContact OG-N 2.88Å; S526-S530 PolarHBondContact O-N 3.44Å; S526-A672 CarbonylContact C-O 3.6Å; S526-A672 VanDerWaalsContact CA-O 3.27Å; S526-A672 WeakPolarHBondContact CA-O 3.38Å; S526-S674 WeakPolarHBondContact CB-OG 3.34Å
527S82.7Confident74.9Confident12 Ų1241.1 Ų41.18%0.08424%0.239CC..THydrogen-bonded Turntrans-54.2-32.9176.5520000112.8S530 F531 A672S527-S530 CarbonylContact O-C 3.52Å; S527-F531 WeakPolarHBondContact O-CA 3.3Å; S527-F531 PolarHBondContact O-N 3.11Å; S527-A672 PolarHBondContact N-O 3.41Å
528I84.5Confident73.2Confident16 Ų1643.7 Ų43.78%0.08224%0.242CC..THydrogen-bonded Turntrans-69-47.5173.7-51.2-175.7000110.4S526 S530 F531 E543 T546 P630S526-I528 PolarHBondContact O-N 2.74Å; S526-I528 VanDerWaalsContact O-N 3.16Å; I528-S530 PolarHBondContact O-N 2.95Å; I528-F531 WeakPolarHBondContact O-CD1 3.31Å; I528-E543 WeakPolarHBondContact CG1-O 3.31Å; I528-T546 HydrophobicContact CD1-CG2 3.56Å; I528-P630 HydrophobicContact CG2-CG 4.15Å
529C85.6Confident71.1Confident18 Ų1850.9 Ų50.912%0.12228%0.28CS..THydrogen-bonded Turntrans-69-17.2178.1-168.90000113.9H507 S526 P630H507-C529 HydrophobicContact CB-CB 4.44Å; S526-C529 CarbonylContact O-C 3.52Å; S526-C529 WeakPolarHBondContact O-CA 3.4Å; S526-C529 PolarHBondContact O-N 3.31Å; S526-C529 WeakPolarHBondContact OG-CB 3.32Å; S526-C529 PolarHBondContact OG-N 2.88Å; C529-P630 WeakPolarHBondContact CA-O 3.47Å; C529-P630 HydrophobicContact CB-CB 4.19Å; C529-P630 PolarHBondContact SG-O 3.48Å
530S70.7Confident69.4Low15 Ų1550.3 Ų50.311%0.10528%0.278CS..THydrogen-bonded Turntrans-128.837178.7-76.20000112.9L525 S526 S527 I528 E532 K533 A534L525-S530 VanDerWaalsContact CB-OG 3.23Å; L525-S530 WeakPolarHBondContact CB-OG 3.32Å; L525-S530 WeakPolarHBondContact CD1-OG 3.43Å; S526-S530 PolarHBondContact O-N 3.44Å; S527-S530 CarbonylContact O-C 3.52Å; I528-S530 PolarHBondContact O-N 2.95Å; S530-E532 VanDerWaalsContact C-N 3.26Å; S530-E532 PolarHBondContact O-N 2.89Å; S530-E532 VanDerWaalsContact O-N 3.17Å; S530-K533 PolarHBondContact O-N 3.2Å; S530-A534 PolarHBondContact O-N 3.18Å; S530-A534 VanDerWaalsContact O-N 3.09Å
531F61.1Low68.1Low28 Ų2855.1 Ų55.112%0.12330%0.301CS..Hα-helixtrans-52.8-41.4-174.569.5-89.4000112.9S527 I528 K533 A534 V535 P542 R657S527-F531 WeakPolarHBondContact O-CA 3.3Å; S527-F531 PolarHBondContact O-N 3.11Å; I528-F531 WeakPolarHBondContact O-CD1 3.31Å; F531-K533 PolarHBondContact O-N 3.47Å; F531-K533 VanDerWaalsContact O-N 3.15Å; F531-A534 PolarHBondContact O-N 2.84Å; F531-A534 VanDerWaalsContact O-N 3.08Å; F531-V535 VanDerWaalsContact O-CG2 3.25Å; F531-V535 WeakPolarHBondContact O-CG2 3.5Å; F531-V535 PolarHBondContact O-N 2.89Å; F531-P542 HydrophobicContact CB-CG 4.05Å; F531-R657 HydrophobicContact CE1-CB 4.45Å; F531-R657 HydrophobicContact CZ-CB 4.36Å
532E62Low67.1Low104 Ų10452 Ų5249%0.48628%0.281SS..Hα-helixtrans-59.8-27.5178.7-58.2-168.5142.900113.7S530 R657S530-E532 VanDerWaalsContact C-N 3.26Å; S530-E532 PolarHBondContact O-N 2.89Å; S530-E532 VanDerWaalsContact O-N 3.17Å; E532-R657 WeakPolarHBondContact OE1-CD 3.44Å; E532-R657 IonicContact OE1-CZ 3.56Å; E532-R657 IonicContact OE1-NE 3.42Å; E532-R657 PolarHBondContact OE1-NE 3.39Å; E532-R657 IonicContact OE1-NH1 3.98Å; E532-R657 PolarHBondContact OE1-NH1 3.05Å; E532-R657 IonicContact OE2-CZ 2.9Å; E532-R657 IonicContact OE2-NH1 3.64Å; E532-R657 PolarHBondContact OE2-NH1 3.04Å
533K59Low66.5Low85 Ų8558 Ų5837%0.3731%0.307SS..Hα-helixtrans-89.5-31.2175.2-65-173.6176.7-174.90112.5S530 F531 S536 E666 V671S530-K533 PolarHBondContact O-N 3.2Å; F531-K533 PolarHBondContact O-N 3.47Å; F531-K533 VanDerWaalsContact O-N 3.15Å; K533-S536 PolarHBondContact O-OG 2.88Å; K533-E666 WeakPolarHBondContact CE-OE2 3.41Å; K533-E666 IonicContact NZ-OE2 3.85Å; K533-E666 PolarHBondContact NZ-OE2 3.29Å; K533-V671 HydrophobicContact CB-CG2 4.39Å
534A51Low66.2Low16 Ų1659 Ų5913%0.13231%0.314CS..Hα-helixtrans-66.8-40.8175.500000112.1S530 F531 S536 N537 P542S530-A534 PolarHBondContact O-N 3.18Å; S530-A534 VanDerWaalsContact O-N 3.09Å; F531-A534 PolarHBondContact O-N 2.84Å; F531-A534 VanDerWaalsContact O-N 3.08Å; A534-S536 PolarHBondContact O-N 2.8Å; A534-N537 PolarHBondContact O-N 2.88Å; A534-P542 HydrophobicContact CB-CG 3.81Å
535V51Low66.3Low51 Ų5160 Ų6031%0.30932%0.318SS..THydrogen-bonded Turntrans-63.2-12.6-178.7173.10000113.3F531 N537 E541F531-V535 VanDerWaalsContact O-CG2 3.25Å; F531-V535 WeakPolarHBondContact O-CG2 3.5Å; F531-V535 PolarHBondContact O-N 2.89Å; V535-N537 PolarHBondContact O-N 3.01Å; V535-E541 HydrophobicContact CG2-CG 4.16Å
536S52Low66.3Low105 Ų10560.8 Ų60.873%0.73432%0.323SS*.THydrogen-bonded Turntrans-64.8-14.9170.871.70000113.4K533 A534K533-S536 PolarHBondContact O-OG 2.88Å; A534-S536 PolarHBondContact O-N 2.8Å
537N47.2Very low66.4Low81 Ų8163.6 Ų63.643%0.43334%0.343SS..SBendtrans-95.1107.3164.5-177.1-3.5000109.7A534 V535 L539 Y540A534-N537 PolarHBondContact O-N 2.88Å; V535-N537 PolarHBondContact O-N 3.01Å; N537-L539 PolarHBondContact O-N 3.05Å; N537-L539 PolarHBondContact OD1-N 2.97Å; N537-Y540 PolarHBondContact O-N 3.5Å; N537-Y540 VanDerWaalsContact O-N 3.08Å
538P45.8Very low66.6Low126 Ų12665.2 Ų65.282%0.81835%0.349SS*.THydrogen-bonded Turntrans-67.8-4.8-175.129.1-36.4000114.4
539L40.9Very low66.7Low158 Ų15867.2 Ų67.283%0.82736%0.356SS*.THydrogen-bonded Turntrans-85.8-5.2173.8-61.7172.8000113.4N537N537-L539 PolarHBondContact O-N 3.05Å; N537-L539 PolarHBondContact OD1-N 2.97Å
540Y47.5Very low66.9Low124 Ų12466.6 Ų66.649%0.48635%0.351SS..  trans-152.890.5-174.3-166.8-103.5000113.6N537 P542N537-Y540 PolarHBondContact O-N 3.5Å; N537-Y540 VanDerWaalsContact O-N 3.08Å; Y540-P542 HydrophobicContact CE1-CB 3.97Å; Y540-P542 WeakPolarHBondContact O-CD 3.24Å
541E61Low67.6Low101 Ų10170.7 Ų70.747%0.47237%0.37SS..PPolyproline II helixtrans-75.6119.9155.3-72.5-148.499.700108.6V535 R655V535-E541 HydrophobicContact CG2-CG 4.16Å; E541-R655 IonicContact OE1-CZ 2.79Å; E541-R655 VanDerWaalsContact OE1-CZ 3.3Å; E541-R655 IonicContact OE1-NH1 2.74Å; E541-R655 PolarHBondContact OE1-NH1 3.39Å; E541-R655 IonicContact OE1-NH2 3.72Å; E541-R655 PolarHBondContact OE1-NH2 2.75Å; E541-R655 IonicContact OE2-NH2 3.85Å; E541-R655 PolarHBondContact OE2-NH2 3.35Å
542P64.4Low68.4Low12 Ų1271.4 Ų71.48%0.07838%0.376CS..PPolyproline II helixtrans-75.2160.4170.133-35.5000111.4F531 A534 Y540F531-P542 HydrophobicContact CB-CG 4.05Å; A534-P542 HydrophobicContact CB-CG 3.81Å; Y540-P542 HydrophobicContact CE1-CB 3.97Å; Y540-P542 WeakPolarHBondContact O-CD 3.24Å
543E73.6Confident69.3Low149 Ų14967.6 Ų67.670%0.69636%0.357SS*.PPolyproline II helixtrans-60.5137.2170.4-68.9175.4171.100110.6I528 Y545I528-E543 WeakPolarHBondContact CG1-O 3.31Å; E543-Y545 PolarHBondContact O-N 3.16Å
544P82.5Confident69.9Low28 Ų2874 Ų7418%0.18238%0.379CS..SBendtrans-81.4-11-171.128.3-32.1000114.9F629 R655P544-F629 HydrophobicContact CB-CE1 4.41Å; P544-F629 WeakPolarHBondContact O-CD1 3.37Å; P544-F629 WeakPolarHBondContact O-CE1 3.35Å; P544-R655 HydrophobicContact CB-CG 4.03Å
545Y91.4Very high71.2Confident21 Ų2177 Ų778%0.08240%0.399CS..  trans-151.7165.9177.742.9-90.2000111D460 E543 A627 V628 F629 L654D460-Y545 WeakPolarHBondContact OD2-CE2 3.41Å; D460-Y545 VanDerWaalsContact OD2-CZ 3.31Å; D460-Y545 PolarHBondContact OD2-OH 3.25Å; E543-Y545 PolarHBondContact O-N 3.16Å; Y545-A627 HydrophobicContact CD1-CB 4.36Å; Y545-A627 HydrophobicContact CD2-CB 3.49Å; Y545-A627 VanDerWaalsContact CD2-CB 3.49Å; Y545-A627 HydrophobicContact CE2-CB 3.82Å; Y545-A627 HydrophobicContact CG-CB 3.8Å; Y545-V628 CarbonylContact C-O 3.59Å; Y545-V628 WeakPolarHBondContact CA-O 3.45Å; Y545-V628 WeakPolarHBondContact CB-O 3.46Å; Y545-F629 HydrophobicContact CD1-CD1 4.41Å; Y545-F629 AromaticContact CD1-CE1 3.46Å; Y545-F629 HydrophobicContact CD1-CE1 3.46Å; Y545-F629 VanDerWaalsContact CD1-CE1 3.46Å; Y545-F629 HydrophobicContact CD1-CE2 4.09Å; Y545-F629 AromaticContact CD1-CZ 3.26Å; Y545-F629 HydrophobicContact CD1-CZ 3.26Å; Y545-F629 HydrophobicContact CE1-CE1 4.37Å; Y545-F629 AromaticContact CE1-CZ 3.96Å; Y545-F629 HydrophobicContact CE1-CZ 3.96Å; Y545-F629 HydrophobicContact CG-CE1 4.18Å; Y545-F629 HydrophobicContact CG-CE2 4.37Å; Y545-F629 AromaticContact CG-CZ 3.94Å; Y545-F629 HydrophobicContact CG-CZ 3.94Å; Y545-L654 HydrophobicContact CE1-CB 4.29Å; Y545-L654 WeakPolarHBondContact CE1-O 3.09Å
546T90.4Very high73Confident26 Ų2675.5 Ų75.516%0.1639%0.39CS..EExtended strand (participates in β ladder)trans-99.1153.5161.352.20000110.9I528 V628I528-T546 HydrophobicContact CD1-CG2 3.56Å; T546-V628 PolarHBondContact N-O 3.4Å; T546-V628 PolarHBondContact O-N 3.17Å
547S89.6Confident75Confident59 Ų5975.5 Ų75.541%0.41337%0.374SS..EExtended strand (participates in β ladder)trans-94.4108.7171.2-71.40000110D461D461-S547 WeakPolarHBondContact OD2-CB 3.35Å; D461-S547 PolarHBondContact OD2-OG 2.88Å
548E87.8Confident77.2Confident47 Ų4775.3 Ų75.322%0.2237%0.367CS..EExtended strand (participates in β ladder)trans-131.2137.5-172.2-69.6-68.9168.400112.4I550 Y553 Q626 V628E548-I550 HydrophobicContact CB-CD1 4.37Å; E548-I550 PolarHBondContact O-N 2.93Å; E548-I550 VanDerWaalsContact O-N 3.1Å; E548-Y553 HydrophobicContact CB-CE2 4.19Å; E548-Y553 WeakPolarHBondContact OE2-CE2 3.35Å; E548-Y553 VanDerWaalsContact OE2-CZ 3.28Å; E548-Y553 PolarHBondContact OE2-OH 3.44Å; E548-Q626 PolarHBondContact N-O 3.41Å; E548-Q626 WeakPolarHBondContact O-CB 3.35Å; E548-Q626 PolarHBondContact O-N 3.23Å; E548-Q626 PolarHBondContact O-OE1 2.64Å; E548-V628 HydrophobicContact CB-CG2 3.72Å; E548-V628 HydrophobicContact CG-CB 4.49Å; E548-V628 HydrophobicContact CG-CG2 4.15Å
549R86.8Confident79.6Confident58 Ų5869.3 Ų69.322%0.21933%0.328CS..  trans-83.284.2176.4-175.6160.8-75.1-128.8-15.7110I551 D552 T622 W624 D625R549-I551 HydrophobicContact CG-CG2 3.81Å; R549-I551 PolarHBondContact O-N 3.31Å; R549-D552 WeakPolarHBondContact CD-OD2 3.31Å; R549-D552 HydrophobicContact CG-CB 4.45Å; R549-D552 VanDerWaalsContact CG-OD2 3.27Å; R549-D552 WeakPolarHBondContact CG-OD2 3.4Å; R549-D552 WeakPolarHBondContact O-CB 3.45Å; R549-D552 PolarHBondContact O-N 2.77Å; R549-T622 PolarHBondContact NH2-O 2.81Å; R549-W624 PolarHBondContact NH2-O 3.5Å; R549-D625 HydrophobicContact CB-CB 4.48Å; R549-D625 IonicContact CZ-OD1 3.84Å; R549-D625 IonicContact NE-OD1 2.72Å; R549-D625 PolarHBondContact NE-OD1 3.43Å; R549-D625 IonicContact NH2-OD1 3.18Å; R549-D625 PolarHBondContact NH2-OD1 2.98Å
550I89Confident82.3Confident4 Ų461.9 Ų61.92%0.02129%0.29CS..G310 helixtrans-59.5-25.9-168.5-72.7-64000114.3I503 E548 D552 Y553 W558 V601 P618 Q626 V628I503-I550 HydrophobicContact CD1-CD1 3.77Å; E548-I550 HydrophobicContact CB-CD1 4.37Å; E548-I550 PolarHBondContact O-N 2.93Å; E548-I550 VanDerWaalsContact O-N 3.1Å; I550-D552 PolarHBondContact O-N 3.14Å; I550-Y553 HydrophobicContact CD1-CD2 4.35Å; I550-Y553 WeakPolarHBondContact O-CB 3.44Å; I550-Y553 PolarHBondContact O-N 3.14Å; I550-W558 HydrophobicContact CG2-CZ2 3.98Å; I550-V601 HydrophobicContact CB-CG1 4.46Å; I550-V601 HydrophobicContact CD1-CG2 3.88Å; I550-V601 HydrophobicContact CG1-CG1 3.81Å; I550-V601 HydrophobicContact CG1-CG2 3.91Å; I550-V601 HydrophobicContact CG2-CG1 4.5Å; I550-P618 HydrophobicContact CB-CB 4.39Å; I550-P618 HydrophobicContact CB-CG 4.17Å; I550-P618 HydrophobicContact CG2-CG 4.24Å; I550-Q626 HydrophobicContact CG1-CB 4.28Å; I550-V628 HydrophobicContact CD1-CG2 3.78Å; I550-V628 HydrophobicContact CG1-CG2 4.04Å
551I84.8Confident84.6Confident101 Ų10160.8 Ų60.852%0.51829%0.292SS..G310 helixtrans-64.9-25.1174.2-169.8163.7000113.5R549 Y553 P618R549-I551 HydrophobicContact CG-CG2 3.81Å; R549-I551 PolarHBondContact O-N 3.31Å; I551-Y553 VanDerWaalsContact C-N 3.29Å; I551-Y553 PolarHBondContact O-N 3.3Å; I551-P618 HydrophobicContact CB-CB 4.39Å; I551-P618 WeakPolarHBondContact CB-O 3.47Å; I551-P618 WeakPolarHBondContact CG2-O 3.49Å
552D79.1Confident86.3Confident44 Ų4459 Ų5924%0.23529%0.289CS..G310 helixtrans-79.7-15.3178.6-62.1-15000111.8R549 I550 R554 Q858R549-D552 WeakPolarHBondContact CD-OD2 3.31Å; R549-D552 HydrophobicContact CG-CB 4.45Å; R549-D552 VanDerWaalsContact CG-OD2 3.27Å; R549-D552 WeakPolarHBondContact CG-OD2 3.4Å; R549-D552 WeakPolarHBondContact O-CB 3.45Å; R549-D552 PolarHBondContact O-N 2.77Å; I550-D552 PolarHBondContact O-N 3.14Å; D552-R554 PolarHBondContact O-N 2.96Å; D552-R554 VanDerWaalsContact O-N 3.09Å; D552-Q858 HydrophobicContact CB-CB 4.01Å; D552-Q858 HydrophobicContact CB-CG 3.81Å; D552-Q858 PolarHBondContact O-NE2 3.27Å
553Y80.7Confident87.8Confident23 Ų2359.8 Ų59.89%0.0929%0.291CS..  trans-83.175.9174.5-72.7-96.3000110.5A502 I503 E548 I550 I551 S555 C556A502-Y553 HydrophobicContact CB-CD1 3.79Å; A502-Y553 HydrophobicContact CB-CE1 3.67Å; I503-Y553 HydrophobicContact CG1-CD1 4.46Å; I503-Y553 HydrophobicContact CG1-CE1 4.26Å; E548-Y553 HydrophobicContact CB-CE2 4.19Å; E548-Y553 WeakPolarHBondContact OE2-CE2 3.35Å; E548-Y553 VanDerWaalsContact OE2-CZ 3.28Å; E548-Y553 PolarHBondContact OE2-OH 3.44Å; I550-Y553 HydrophobicContact CD1-CD2 4.35Å; I550-Y553 WeakPolarHBondContact O-CB 3.44Å; I550-Y553 PolarHBondContact O-N 3.14Å; I551-Y553 VanDerWaalsContact C-N 3.29Å; I551-Y553 PolarHBondContact O-N 3.3Å; Y553-S555 PolarHBondContact O-N 3.2Å; Y553-C556 WeakPolarHBondContact O-CB 3.4Å; Y553-C556 PolarHBondContact O-N 3.19Å
554R71.2Confident88.9Confident221 Ų22156.1 Ų56.183%0.83428%0.276SS*.THydrogen-bonded Turntrans-57.9-16.5-172.7-56.8-174.2-169.2176.97.2115.9D552 N857D552-R554 PolarHBondContact O-N 2.96Å; D552-R554 VanDerWaalsContact O-N 3.09Å; R554-N857 PolarHBondContact NH2-O 2.96Å
555S78.3Confident89.5Confident78 Ų7855 Ų5555%0.54527%0.269SS..THydrogen-bonded Turntrans-95.1-6.7174.9490000114.4Y553 R557Y553-S555 PolarHBondContact O-N 3.2Å; S555-R557 PolarHBondContact O-N 3.4Å
556C89.1Confident89.7Confident19 Ų1954.4 Ų54.413%0.12827%0.267CS..  trans-66.7121.3-176.5-175.10000111.6E499 Y553E499-C556 CarbonylContact O-C 3.52Å; E499-C556 WeakPolarHBondContact O-CA 3.49Å; Y553-C556 WeakPolarHBondContact O-CB 3.4Å; Y553-C556 PolarHBondContact O-N 3.19Å
557R94.1Very high90Very high106 Ų10657.2 Ų57.240%0.428%0.279SS..EExtended strand (participates in β ladder)trans-111.5118.8-174.6-174.7164.769.61253.4111.1V498 E499 S555 L559 T594V498-R557 WeakPolarHBondContact CA-O 3.43Å; E499-R557 HydrophobicContact CB-CB 4.34Å; E499-R557 PolarHBondContact N-O 3.4Å; E499-R557 PolarHBondContact O-N 2.85Å; E499-R557 IonicContact OE1-NH2 3.03Å; E499-R557 PolarHBondContact OE1-NH2 3.05Å; E499-R557 IonicContact OE2-CZ 2.67Å; E499-R557 IonicContact OE2-NE 2.66Å; E499-R557 PolarHBondContact OE2-NE 3.25Å; E499-R557 IonicContact OE2-NH2 2.65Å; E499-R557 PolarHBondContact OE2-NH2 3.45Å; S555-R557 PolarHBondContact O-N 3.4Å; R557-L559 PolarHBondContact O-N 3.05Å; R557-T594 PolarHBondContact NH1-O 2.98Å; R557-T594 VanDerWaalsContact NH1-O 3.14Å; R557-T594 PolarHBondContact NH2-O 3.22Å
558W94.1Very high90.3Very high76 Ų7654.5 Ų54.529%0.28826%0.259SS..EExtended strand (participates in β ladder)trans-72.3110.1-179.7-63.274.9000110.9A496 V498 I550 K592 W603 P618A496-W558 HydrophobicContact CB-CE3 3.43Å; A496-W558 VanDerWaalsContact CB-CE3 3.43Å; A496-W558 HydrophobicContact CB-CZ3 3.41Å; A496-W558 VanDerWaalsContact CB-CZ3 3.41Å; V498-W558 HydrophobicContact CG1-CD2 4.39Å; V498-W558 HydrophobicContact CG1-CE3 4.45Å; I550-W558 HydrophobicContact CG2-CZ2 3.98Å; W558-K592 VanDerWaalsContact O-CE 3.24Å; W558-K592 WeakPolarHBondContact O-CE 3.41Å; W558-W603 HydrophobicContact CH2-CH2 4.3Å; W558-W603 AromaticContact CH2-CZ3 3.99Å; W558-W603 HydrophobicContact CH2-CZ3 3.99Å; W558-W603 AromaticContact CZ3-CH2 3.83Å; W558-W603 HydrophobicContact CZ3-CH2 3.83Å; W558-W603 AromaticContact CZ3-CZ3 3.77Å; W558-W603 HydrophobicContact CZ3-CZ3 3.77Å; W558-P618 HydrophobicContact CH2-CG 3.9Å; W558-P618 HydrophobicContact CZ2-CG 4.01Å
559L95.9Very high90.7Very high0 Ų055 Ų550%026%0.264CS..  trans-88.3-21-178.4-61.4-172.4000113.6L497 E499 R557 L591 K592 A593 R596 V597L497-L559 HydrophobicContact CB-CB 4.4Å; L497-L559 PolarHBondContact O-N 3.06Å; E499-L559 HydrophobicContact CB-CD1 4.1Å; E499-L559 HydrophobicContact CB-CD2 4.23Å; E499-L559 HydrophobicContact CB-CG 4.14Å; R557-L559 PolarHBondContact O-N 3.05Å; L559-L591 HydrophobicContact CB-CD2 4.16Å; L559-L591 CarbonylContact O-C 3.55Å; L559-L591 WeakPolarHBondContact O-CA 3.36Å; L559-K592 PolarHBondContact O-N 2.87Å; L559-A593 HydrophobicContact CD2-CB 4.1Å; L559-R596 VanDerWaalsContact CD1-O 3.22Å; L559-R596 WeakPolarHBondContact CD1-O 3.24Å; L559-V597 HydrophobicContact CD1-CG2 4.01Å
560T97.1Very high91.1Very high3 Ų352.3 Ų52.32%0.01825%0.253CS..SBendtrans-118168.916764.40000110.8A496 L497 V589 L591 K592A496-T560 WeakPolarHBondContact CA-OG1 3.34Å; L497-T560 HydrophobicContact CB-CG2 3.94Å; L497-T560 HydrophobicContact CD1-CG2 3.98Å; L497-T560 HydrophobicContact CG-CG2 3.95Å; L497-T560 PolarHBondContact N-OG1 3.08Å; L497-T560 PolarHBondContact O-N 2.97Å; T560-V589 HydrophobicContact CG2-CB 4.32Å; T560-V589 HydrophobicContact CG2-CG2 4.07Å; T560-L591 HydrophobicContact CG2-CD2 3.92Å; T560-K592 WeakPolarHBondContact O-CE 3.36Å; T560-K592 PolarHBondContact O-NZ 2.9Å
561D95.4Very high91.3Very high101 Ų10154.4 Ų54.454%0.5427%0.268SS..  trans-79.2165.1154.9-61.9-51.2000109.4F563 K592D561-F563 PolarHBondContact O-N 3.08Å; D561-K592 WeakPolarHBondContact OD1-CD 3.41Å; D561-K592 IonicContact OD1-NZ 2.76Å; D561-K592 PolarHBondContact OD1-NZ 2.77Å
562P96Very high91.8Very high63 Ų6351.9 Ų51.941%0.40926%0.256SS..  trans-57.5135.4175.5-28.337.4000113.1W494 A495 W603W494-P562 HydrophobicContact CE3-CB 4Å; W494-P562 HydrophobicContact CZ3-CB 4.46Å; A495-P562 CarbonylContact O-C 3.56Å; A495-P562 WeakPolarHBondContact O-CA 3.4Å; P562-W603 HydrophobicContact CB-CH2 3.85Å; P562-W603 HydrophobicContact CB-CZ2 3.76Å; P562-W603 HydrophobicContact CG-CH2 3.94Å; P562-W603 HydrophobicContact CG-CZ2 3.97Å
563F96.4Very high92.4Very high28 Ų2852.3 Ų52.312%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-124.6149.5172.556.3-92.3000110.7W494 A495 L497 D561 V565 L587 V589 I600 I645W494-F563 CarbonylContact C-O 3.58Å; W494-F563 WeakPolarHBondContact CA-O 3.38Å; A495-F563 HydrophobicContact CB-CD2 4.39Å; A495-F563 HydrophobicContact CB-CE1 4.42Å; A495-F563 HydrophobicContact CB-CE2 3.75Å; A495-F563 HydrophobicContact CB-CZ 3.76Å; A495-F563 PolarHBondContact N-O 2.97Å; A495-F563 VanDerWaalsContact O-CD1 3.26Å; A495-F563 WeakPolarHBondContact O-CD1 3.35Å; A495-F563 WeakPolarHBondContact O-CE1 3.26Å; A495-F563 PolarHBondContact O-N 3.05Å; L497-F563 HydrophobicContact CG-CE1 4.45Å; D561-F563 PolarHBondContact O-N 3.08Å; F563-V565 HydrophobicContact CD2-CG2 4.23Å; F563-V565 HydrophobicContact CE2-CG2 3.96Å; F563-L587 HydrophobicContact CD2-CD1 4.06Å; F563-L587 HydrophobicContact CE2-CD1 3.97Å; F563-V589 HydrophobicContact CB-CG1 4.37Å; F563-V589 HydrophobicContact CD1-CB 4.37Å; F563-V589 HydrophobicContact CD1-CG1 3.63Å; F563-V589 HydrophobicContact CD2-CG1 3.94Å; F563-V589 HydrophobicContact CE1-CB 4.41Å; F563-V589 HydrophobicContact CE1-CG1 3.77Å; F563-V589 HydrophobicContact CE1-CG2 4.49Å; F563-V589 HydrophobicContact CE2-CG1 4.07Å; F563-V589 HydrophobicContact CG-CG1 3.72Å; F563-V589 HydrophobicContact CZ-CG1 4Å; F563-I600 HydrophobicContact CZ-CG2 4.5Å; F563-I645 HydrophobicContact CE1-CD1 4.23Å; F563-I645 HydrophobicContact CE2-CD1 3.95Å; F563-I645 HydrophobicContact CZ-CD1 3.44Å; F563-I645 VanDerWaalsContact CZ-CD1 3.44Å
564L97.1Very high93.1Very high72 Ų7257 Ų5738%0.37729%0.287SS..EExtended strand (participates in β ladder)trans-71.9133.5172.9-173.872.7000109.2A492 V493 W494A492-L564 HydrophobicContact CB-CD1 3.91Å; V493-L564 WeakPolarHBondContact O-CD1 3.48Å; W494-L564 HydrophobicContact CD2-CD1 4.42Å; W494-L564 HydrophobicContact CZ2-CD1 4.23Å
565V96.2Very high94.2Very high5 Ų549 Ų493%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-96-53.7173.8170.80000110.3V493 A495 F563 L587 C647 L654V493-V565 HydrophobicContact CB-CB 4.16Å; V493-V565 HydrophobicContact CG1-CB 3.97Å; V493-V565 HydrophobicContact CG1-CG1 4.27Å; V493-V565 HydrophobicContact CG1-CG2 4.45Å; V493-V565 PolarHBondContact O-N 3.38Å; A495-V565 HydrophobicContact CB-CG2 3.47Å; A495-V565 VanDerWaalsContact CB-CG2 3.47Å; F563-V565 HydrophobicContact CD2-CG2 4.23Å; F563-V565 HydrophobicContact CE2-CG2 3.96Å; V565-L587 HydrophobicContact CB-CD1 4.49Å; V565-L587 HydrophobicContact CG2-CD1 4.26Å; V565-C647 HydrophobicContact CG1-CB 3.56Å; V565-L654 HydrophobicContact CG1-CD1 4.31Å
566D94.8Very high95Very high8 Ų845.2 Ų45.24%0.04323%0.234CC..EExtended strand (participates in β ladder)trans-155159.7-179.6-145.3-11.3000111.8A492 V493 H579 R585A492-D566 CarbonylContact C-O 3.56Å; A492-D566 WeakPolarHBondContact CA-O 3.32Å; V493-D566 PolarHBondContact N-O 3.18Å; V493-D566 PolarHBondContact O-N 3.25Å; D566-H579 IonicContact OD1-NE2 3.88Å; D566-H579 IonicContact OD2-NE2 2.86Å; D566-R585 VanDerWaalsContact CG-NE 3.34Å; D566-R585 IonicContact OD1-CZ 3.75Å; D566-R585 IonicContact OD1-NE 3.17Å; D566-R585 PolarHBondContact OD1-NE 2.94Å; D566-R585 IonicContact OD1-NH2 3.6Å; D566-R585 PolarHBondContact OD1-NH2 3.23Å; D566-R585 IonicContact OD2-NE 3.5Å; D566-R585 PolarHBondContact OD2-NE 2.57Å; D566-R585 IonicContact OD2-NH2 3.69Å
567E96Very high95.3Very high86 Ų8646.4 Ų46.440%0.40224%0.241SC..EExtended strand (participates in β ladder)trans-139.7134.7171.9-175.5170.9-166.100110.4R490 A491 A492R490-E567 IonicContact CZ-OE1 3.27Å; R490-E567 IonicContact NH1-OE1 2.78Å; R490-E567 PolarHBondContact NH1-OE1 2.85Å; A491-E567 WeakPolarHBondContact O-CA 3.29Å; A492-E567 HydrophobicContact CB-CB 4.3Å; A492-E567 HydrophobicContact CB-CG 4.12Å
568I95.7Very high95.2Very high1 Ų143.4 Ų43.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-126.8126.5-178.9-172.8171.5000110.9F464 V469 R490 A491 F570 D575 L576 H579F464-I568 HydrophobicContact CE1-CD1 4.49Å; F464-I568 HydrophobicContact CE1-CG2 4.24Å; V469-I568 HydrophobicContact CG2-CD1 4.1Å; R490-I568 CarbonylContact C-O 3.46Å; R490-I568 WeakPolarHBondContact CA-O 3.32Å; R490-I568 WeakPolarHBondContact CB-O 3.41Å; A491-I568 HydrophobicContact CB-CG2 4.29Å; A491-I568 PolarHBondContact N-O 3.45Å; A491-I568 PolarHBondContact O-N 3.44Å; I568-F570 HydrophobicContact CD1-CD1 3.93Å; I568-F570 HydrophobicContact CD1-CE1 3.86Å; I568-F570 HydrophobicContact CG1-CD1 4.2Å; I568-F570 HydrophobicContact CG1-CE1 4.32Å; I568-F570 HydrophobicContact CG2-CD1 4.26Å; I568-F570 HydrophobicContact CG2-CE1 3.72Å; I568-F570 HydrophobicContact CG2-CE2 4.25Å; I568-F570 HydrophobicContact CG2-CZ 3.72Å; I568-D575 HydrophobicContact CG1-CB 4.37Å; I568-L576 HydrophobicContact CD1-CD2 4.24Å; I568-H579 HydrophobicContact CD1-CB 4.11Å
569D96.6Very high95.2Very high59 Ų5940.1 Ų40.132%0.31623%0.227SC..EExtended strand (participates in β ladder)trans-88.3106.7162.2179.314.7000109.3R490 S571 N572R490-D569 HydrophobicContact CB-CB 4.49Å; D569-S571 PolarHBondContact O-N 3.19Å; D569-S571 VanDerWaalsContact OD1-CA 3.31Å; D569-S571 WeakPolarHBondContact OD1-CA 3.49Å; D569-S571 WeakPolarHBondContact OD1-CB 3.49Å; D569-S571 PolarHBondContact OD1-N 2.86Å; D569-S571 PolarHBondContact OD1-OG 3.12Å; D569-N572 HydrophobicContact CB-CB 3.91Å; D569-N572 WeakPolarHBondContact O-CB 3.44Å; D569-N572 PolarHBondContact O-N 3.07Å
570F96.5Very high95Very high0 Ų042.2 Ų42.20%024%0.244CC..THydrogen-bonded Turntrans-65.7-19174.9-58.6-64.1000111.5L463 I468 L472 I486 P488 S489 A491 I568 N572 L576L463-F570 HydrophobicContact CD1-CZ 4.46Å; I468-F570 HydrophobicContact CD1-CE1 4.06Å; I468-F570 HydrophobicContact CD1-CE2 4.31Å; I468-F570 HydrophobicContact CD1-CZ 3.8Å; I468-F570 HydrophobicContact CG1-CE1 4.04Å; I468-F570 HydrophobicContact CG1-CZ 4.29Å; I468-F570 HydrophobicContact CG2-CE1 4.28Å; L472-F570 HydrophobicContact CD1-CB 3.93Å; L472-F570 HydrophobicContact CD1-CD1 3.74Å; L472-F570 HydrophobicContact CD1-CE1 4.35Å; L472-F570 HydrophobicContact CD1-CG 3.85Å; I486-F570 WeakPolarHBondContact CD1-O 3.41Å; I486-F570 HydrophobicContact CG2-CB 4.48Å; P488-F570 HydrophobicContact CB-CD2 4.17Å; P488-F570 HydrophobicContact CB-CE2 4.09Å; P488-F570 HydrophobicContact CG-CD2 3.87Å; P488-F570 HydrophobicContact CG-CE2 3.66Å; P488-F570 WeakPolarHBondContact O-CD2 3.38Å; S489-F570 WeakPolarHBondContact O-CB 3.43Å; S489-F570 PolarHBondContact O-N 3.16Å; A491-F570 HydrophobicContact CB-CE2 3.66Å; A491-F570 HydrophobicContact CB-CZ 3.99Å; I568-F570 HydrophobicContact CD1-CD1 3.93Å; I568-F570 HydrophobicContact CD1-CE1 3.86Å; I568-F570 HydrophobicContact CG1-CD1 4.2Å; I568-F570 HydrophobicContact CG1-CE1 4.32Å; I568-F570 HydrophobicContact CG2-CD1 4.26Å; I568-F570 HydrophobicContact CG2-CE1 3.72Å; I568-F570 HydrophobicContact CG2-CE2 4.25Å; I568-F570 HydrophobicContact CG2-CZ 3.72Å; F570-N572 PolarHBondContact O-N 3.42Å; F570-L576 HydrophobicContact CD1-CD2 4.04Å; F570-L576 VanDerWaalsContact O-CD1 3.26Å; F570-L576 WeakPolarHBondContact O-CD1 3.39Å
571S92.4Very high94.7Very high48 Ų4846.4 Ų46.434%0.33627%0.273SS..THydrogen-bonded Turntrans-76-8.8172.3-47.30000113.3K476 S489 D569K476-S571 WeakPolarHBondContact CE-O 3.5Å; K476-S571 PolarHBondContact NZ-O 2.87Å; S489-S571 PolarHBondContact O-N 3.05Å; S489-S571 PolarHBondContact O-OG 2.91Å; D569-S571 PolarHBondContact O-N 3.19Å; D569-S571 VanDerWaalsContact OD1-CA 3.31Å; D569-S571 WeakPolarHBondContact OD1-CA 3.49Å; D569-S571 WeakPolarHBondContact OD1-CB 3.49Å; D569-S571 PolarHBondContact OD1-N 2.86Å; D569-S571 PolarHBondContact OD1-OG 3.12Å
572N94.5Very high94.4Very high48 Ų4843 Ų4326%0.25726%0.263SS..  trans-104119.1180-175.4-2.3000111.9D569 F570 N574 D575 L576D569-N572 HydrophobicContact CB-CB 3.91Å; D569-N572 WeakPolarHBondContact O-CB 3.44Å; D569-N572 PolarHBondContact O-N 3.07Å; F570-N572 PolarHBondContact O-N 3.42Å; N572-N574 VanDerWaalsContact C-N 3.27Å; N572-N574 PolarHBondContact O-N 2.86Å; N572-N574 WeakPolarHBondContact OD1-CB 3.49Å; N572-N574 PolarHBondContact OD1-N 3.13Å; N572-D575 HydrophobicContact CB-CB 4.14Å; N572-D575 WeakPolarHBondContact CB-OD2 3.29Å; N572-D575 PolarHBondContact ND2-OD1 2.68Å; N572-D575 PolarHBondContact ND2-OD2 2.84Å; N572-D575 PolarHBondContact O-N 2.87Å; N572-L576 WeakPolarHBondContact O-CG 3.35Å; N572-L576 PolarHBondContact O-N 2.83Å; N572-L576 VanDerWaalsContact O-N 3.16Å
573V93.3Very high94.2Very high54 Ų5441 Ų4133%0.32725%0.248SC..Hα-helixtrans-65.5-31.3178.7-176.40000111.7L473 K476 T577L473-V573 HydrophobicContact CD1-CG1 4.24Å; K476-V573 HydrophobicContact CD-CG2 3.79Å; K476-V573 VanDerWaalsContact CE-CG2 3.49Å; K476-V573 HydrophobicContact CG-CG2 4.33Å; V573-T577 VanDerWaalsContact O-CB 3.29Å; V573-T577 WeakPolarHBondContact O-CB 3.34Å; V573-T577 PolarHBondContact O-N 2.68Å; V573-T577 PolarHBondContact O-OG1 3.35Å
574N95.1Very high94Very high120 Ų12045.5 Ų45.564%0.64227%0.269SS*.Hα-helixtrans-72.1-43.2-178.3-63.3-25.3000110.8N572 T577 A578N572-N574 VanDerWaalsContact C-N 3.27Å; N572-N574 PolarHBondContact O-N 2.86Å; N572-N574 WeakPolarHBondContact OD1-CB 3.49Å; N572-N574 PolarHBondContact OD1-N 3.13Å; N574-T577 PolarHBondContact O-N 3.11Å; N574-A578 WeakPolarHBondContact O-CB 3.31Å; N574-A578 PolarHBondContact O-N 3.05Å
575D94.4Very high93.9Very high53 Ų5346.4 Ų46.428%0.28327%0.268SS..Hα-helixtrans-66.5-46.1178.6-59.3-10.3000110.2I568 N572 T577 A578 H579I568-D575 HydrophobicContact CG1-CB 4.37Å; N572-D575 HydrophobicContact CB-CB 4.14Å; N572-D575 WeakPolarHBondContact CB-OD2 3.29Å; N572-D575 PolarHBondContact ND2-OD1 2.68Å; N572-D575 PolarHBondContact ND2-OD2 2.84Å; N572-D575 PolarHBondContact O-N 2.87Å; D575-T577 VanDerWaalsContact C-N 3.29Å; D575-T577 PolarHBondContact O-N 3.2Å; D575-A578 PolarHBondContact O-N 3.02Å; D575-H579 PolarHBondContact O-N 3.08Å; D575-H579 PolarHBondContact O-ND1 2.78Å
576L94.9Very high93.8Very high0 Ų052.3 Ų52.30%029%0.293CS..Hα-helixtrans-55.7-41.5171.5-76.6169.6000112.5V469 L472 L473 K476 I568 F570 N572 A580V469-L576 HydrophobicContact CG1-CD2 4.24Å; V469-L576 WeakPolarHBondContact CG1-O 3.09Å; L472-L576 HydrophobicContact CB-CD1 4.38Å; L472-L576 HydrophobicContact CB-CD2 3.99Å; L473-L576 HydrophobicContact CB-CB 4.16Å; L473-L576 HydrophobicContact CD1-CB 3.82Å; K476-L576 HydrophobicContact CD-CD1 3.85Å; I568-L576 HydrophobicContact CD1-CD2 4.24Å; F570-L576 HydrophobicContact CD1-CD2 4.04Å; F570-L576 VanDerWaalsContact O-CD1 3.26Å; F570-L576 WeakPolarHBondContact O-CD1 3.39Å; N572-L576 WeakPolarHBondContact O-CG 3.35Å; N572-L576 PolarHBondContact O-N 2.83Å; N572-L576 VanDerWaalsContact O-N 3.16Å; L576-A580 WeakPolarHBondContact O-CB 3.46Å; L576-A580 PolarHBondContact O-N 2.76Å
577T94.5Very high93.8Very high44 Ų4453.6 Ų53.627%0.2730%0.3SS..Hα-helixtrans-69.3-38.3178.4-56.30000111.5L473 R477 V573 N574 D575 S581L473-T577 WeakPolarHBondContact CD1-OG1 3.37Å; R477-T577 PolarHBondContact NH2-OG1 3.14Å; R477-T577 VanDerWaalsContact NH2-OG1 3.09Å; V573-T577 VanDerWaalsContact O-CB 3.29Å; V573-T577 WeakPolarHBondContact O-CB 3.34Å; V573-T577 PolarHBondContact O-N 2.68Å; V573-T577 PolarHBondContact O-OG1 3.35Å; N574-T577 PolarHBondContact O-N 3.11Å; D575-T577 VanDerWaalsContact C-N 3.29Å; D575-T577 PolarHBondContact O-N 3.2Å; T577-S581 WeakPolarHBondContact O-CB 3.24Å; T577-S581 PolarHBondContact O-N 2.85Å; T577-S581 VanDerWaalsContact O-N 3.13Å; T577-S581 PolarHBondContact O-OG 3.03Å
578A92.9Very high93.7Very high42 Ų4253.7 Ų53.735%0.34731%0.307SS..Hα-helixtrans-66.2-50.8177.300000111.5N574 D575 A580 S581 G582 I583N574-A578 WeakPolarHBondContact O-CB 3.31Å; N574-A578 PolarHBondContact O-N 3.05Å; D575-A578 PolarHBondContact O-N 3.02Å; A578-A580 VanDerWaalsContact C-N 3.3Å; A578-A580 PolarHBondContact O-N 3.25Å; A578-S581 PolarHBondContact O-N 3.2Å; A578-G582 PolarHBondContact O-N 3.31Å; A578-I583 HydrophobicContact CB-CD1 3.89Å; A578-I583 HydrophobicContact CB-CG1 4.31Å
579H94.1Very high93.7Very high7 Ų754.3 Ų54.33%0.03231%0.311CS..Hα-helixtrans-61.1-38.2177.3-69.382.2000111.7V469 D566 I568 D575 S581 G582 I583V469-H579 HydrophobicContact CG1-CB 3.62Å; V469-H579 HydrophobicContact CG2-CB 4.3Å; D566-H579 IonicContact OD1-NE2 3.88Å; D566-H579 IonicContact OD2-NE2 2.86Å; I568-H579 HydrophobicContact CD1-CB 4.11Å; D575-H579 PolarHBondContact O-N 3.08Å; D575-H579 PolarHBondContact O-ND1 2.78Å; H579-S581 PolarHBondContact O-N 3.24Å; H579-G582 PolarHBondContact O-N 3.49Å; H579-I583 HydrophobicContact CB-CD1 4.29Å; H579-I583 WeakPolarHBondContact ND1-CD1 3.35Å
580A90.7Very high93.6Very high44 Ų4459 Ų5936%0.36432%0.324SS..Hα-helixtrans-69.8-14.8174.400000114.3V469 L473 L576 A578V469-A580 HydrophobicContact CG1-CB 4.06Å; L473-A580 HydrophobicContact CD2-CB 3.67Å; L576-A580 WeakPolarHBondContact O-CB 3.46Å; L576-A580 PolarHBondContact O-N 2.76Å; A578-A580 VanDerWaalsContact C-N 3.3Å; A578-A580 PolarHBondContact O-N 3.25Å
581S90.4Very high93.5Very high91 Ų9159 Ų5964%0.63632%0.324SS*.THydrogen-bonded Turntrans-99.1-1.6177.8-54.20000113.2T577 A578 H579T577-S581 WeakPolarHBondContact O-CB 3.24Å; T577-S581 PolarHBondContact O-N 2.85Å; T577-S581 VanDerWaalsContact O-N 3.13Å; T577-S581 PolarHBondContact O-OG 3.03Å; A578-S581 PolarHBondContact O-N 3.2Å; H579-S581 PolarHBondContact O-N 3.24Å
582G90Very high93.7Very high31 Ų3161 Ų6132%0.3233%0.327SS..  trans94126.1-169.900000112.7A578 H579 V649A578-G582 PolarHBondContact O-N 3.31Å; H579-G582 PolarHBondContact O-N 3.49Å; G582-V649 VanDerWaalsContact CA-O 3.31Å; G582-V649 WeakPolarHBondContact CA-O 3.36Å
583I91.7Very high93.7Very high20 Ų2059.9 Ų59.910%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-122.7141.7170-72-176000110A578 H579 R585 T648 V649A578-I583 HydrophobicContact CB-CD1 3.89Å; A578-I583 HydrophobicContact CB-CG1 4.31Å; H579-I583 HydrophobicContact CB-CD1 4.29Å; H579-I583 WeakPolarHBondContact ND1-CD1 3.35Å; I583-R585 HydrophobicContact CG2-CG 4.09Å; I583-T648 CarbonylContact O-C 3.6Å; I583-T648 WeakPolarHBondContact O-CA 3.35Å; I583-T648 WeakPolarHBondContact O-CB 3.22Å; I583-V649 PolarHBondContact N-O 2.83Å; I583-V649 PolarHBondContact O-N 3Å
584E92.8Very high93.8Very high122 Ų12260.8 Ų60.857%0.5733%0.329SS*.EExtended strand (participates in β ladder)trans-118.5136.7170.6-60.7-158.7146.400111.2F586 L646 T648E584-F586 HydrophobicContact CB-CE2 4.21Å; E584-L646 HydrophobicContact CB-CD1 4.07Å; E584-T648 HydrophobicContact CB-CG2 4.33Å; E584-T648 HydrophobicContact CG-CG2 3.81Å
585R93.9Very high93.7Very high92 Ų9255.1 Ų55.135%0.34730%0.299SS..EExtended strand (participates in β ladder)trans-127.7111.4179.1-57.6-61.3-167.4-158.33.9109.8D566 I583 C647D566-R585 VanDerWaalsContact CG-NE 3.34Å; D566-R585 IonicContact OD1-CZ 3.75Å; D566-R585 IonicContact OD1-NE 3.17Å; D566-R585 PolarHBondContact OD1-NE 2.94Å; D566-R585 IonicContact OD1-NH2 3.6Å; D566-R585 PolarHBondContact OD1-NH2 3.23Å; D566-R585 IonicContact OD2-NE 3.5Å; D566-R585 PolarHBondContact OD2-NE 2.57Å; D566-R585 IonicContact OD2-NH2 3.69Å; I583-R585 HydrophobicContact CG2-CG 4.09Å; R585-C647 HydrophobicContact CB-CB 4.36Å; R585-C647 PolarHBondContact N-O 2.98Å; R585-C647 PolarHBondContact O-N 3.37Å
586F94.1Very high93.5Very high128 Ų12853.7 Ų53.756%0.56129%0.29SS*.EExtended strand (participates in β ladder)trans-93.1109.6174.5-69.7-92.8000110.1E584 L646E584-F586 HydrophobicContact CB-CE2 4.21Å; F586-L646 HydrophobicContact CD1-CD1 4.09Å; F586-L646 HydrophobicContact CD2-CD1 4.01Å; F586-L646 HydrophobicContact CE1-CB 4.4Å; F586-L646 HydrophobicContact CE1-CD1 3.84Å; F586-L646 HydrophobicContact CE1-CD2 4.2Å; F586-L646 HydrophobicContact CE1-CG 4.37Å; F586-L646 HydrophobicContact CE2-CD1 3.74Å; F586-L646 HydrophobicContact CG-CD1 4.17Å; F586-L646 HydrophobicContact CZ-CD1 3.66Å; F586-L646 HydrophobicContact CZ-CD2 4.11Å; F586-L646 HydrophobicContact CZ-CG 4.43Å
587L94.7Very high93.4Very high36 Ų3653.7 Ų53.719%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-109.6138-175.2-54171.3000109.8F563 V565 Q644 I645F563-L587 HydrophobicContact CD2-CD1 4.06Å; F563-L587 HydrophobicContact CE2-CD1 3.97Å; V565-L587 HydrophobicContact CB-CD1 4.49Å; V565-L587 HydrophobicContact CG2-CD1 4.26Å; L587-Q644 CarbonylContact O-C 3.59Å; L587-Q644 WeakPolarHBondContact O-CA 3.3Å; L587-I645 HydrophobicContact CB-CB 4.35Å; L587-I645 PolarHBondContact N-O 3.36Å; L587-I645 PolarHBondContact O-N 3.16Å
588T95Very high93.4Very high88 Ų8851.8 Ų51.854%0.5428%0.278SS..EExtended strand (participates in β ladder)trans-116.1105.5171.5-62.20000109.4K642 V643T588-K642 HydrophobicContact CG2-CB 4.22Å; T588-K642 HydrophobicContact CG2-CD 4.12Å; T588-K642 HydrophobicContact CG2-CG 4.38Å; T588-V643 WeakPolarHBondContact CA-O 3.46Å
589V94.8Very high93.4Very high14 Ų1449.8 Ų49.89%0.08526%0.262CS..EExtended strand (participates in β ladder)trans-102.8159-178.5-550000110.6L497 T560 F563 K642 V643 I645L497-V589 HydrophobicContact CD1-CG2 3.73Å; L497-V589 HydrophobicContact CG-CG2 4.36Å; T560-V589 HydrophobicContact CG2-CB 4.32Å; T560-V589 HydrophobicContact CG2-CG2 4.07Å; F563-V589 HydrophobicContact CB-CG1 4.37Å; F563-V589 HydrophobicContact CD1-CB 4.37Å; F563-V589 HydrophobicContact CD1-CG1 3.63Å; F563-V589 HydrophobicContact CD2-CG1 3.94Å; F563-V589 HydrophobicContact CE1-CB 4.41Å; F563-V589 HydrophobicContact CE1-CG1 3.77Å; F563-V589 HydrophobicContact CE1-CG2 4.49Å; F563-V589 HydrophobicContact CE2-CG1 4.07Å; F563-V589 HydrophobicContact CG-CG1 3.72Å; F563-V589 HydrophobicContact CZ-CG1 4Å; V589-K642 WeakPolarHBondContact O-CA 3.43Å; V589-V643 HydrophobicContact CG2-CB 3.94Å; V589-V643 HydrophobicContact CG2-CG1 4.34Å; V589-V643 PolarHBondContact N-O 3.01Å; V589-V643 PolarHBondContact O-N 3.12Å; V589-I645 HydrophobicContact CG1-CD1 4.11Å; V589-I645 HydrophobicContact CG2-CD1 3.76Å; V589-I645 HydrophobicContact CG2-CG1 4.37Å
590R95Very high93.5Very high156 Ų15649.4 Ų49.459%0.58926%0.26SS*.EExtended strand (participates in β ladder)trans-119.1130.4177.3-168.6-167.9-72.5-94.717.5110.4G640 S641R590-G640 WeakPolarHBondContact CG-O 3.14Å; R590-G640 PolarHBondContact NH1-O 3.09Å; R590-S641 VanDerWaalsContact CA-O 3.31Å; R590-S641 WeakPolarHBondContact CA-O 3.27Å; R590-S641 WeakPolarHBondContact CG-O 3.15Å
591L95.3Very high93.8Very high2 Ų247.3 Ų47.31%0.0124%0.243CC..  trans-69.1135.5175-55.5-172.4000111L497 L559 T560 V597 L637 G640 S641 V643L497-L591 HydrophobicContact CD1-CD2 3.78Å; L559-L591 HydrophobicContact CB-CD2 4.16Å; L559-L591 CarbonylContact O-C 3.55Å; L559-L591 WeakPolarHBondContact O-CA 3.36Å; T560-L591 HydrophobicContact CG2-CD2 3.92Å; L591-V597 HydrophobicContact CD2-CG2 4.35Å; L591-L637 HydrophobicContact CD1-CB 3.43Å; L591-L637 VanDerWaalsContact CD1-CB 3.43Å; L591-L637 HydrophobicContact CD1-CD1 4.08Å; L591-L637 HydrophobicContact CD1-CG 4.41Å; L591-G640 WeakPolarHBondContact O-CA 3.43Å; L591-G640 PolarHBondContact O-N 3.05Å; L591-S641 PolarHBondContact N-O 3.23Å; L591-V643 HydrophobicContact CD1-CG2 4.44Å; L591-V643 HydrophobicContact CD2-CG2 4.12Å; L591-V643 HydrophobicContact CG-CG2 4.2Å
592K95.8Very high94.1Very high90 Ų9043 Ų4339%0.39121%0.213SC..SBendtrans-93-22.9173.978.6-163-178-164.50112.8W558 L559 T560 D561 S639W558-K592 VanDerWaalsContact O-CE 3.24Å; W558-K592 WeakPolarHBondContact O-CE 3.41Å; L559-K592 PolarHBondContact O-N 2.87Å; T560-K592 WeakPolarHBondContact O-CE 3.36Å; T560-K592 PolarHBondContact O-NZ 2.9Å; D561-K592 WeakPolarHBondContact OD1-CD 3.41Å; D561-K592 IonicContact OD1-NZ 2.76Å; D561-K592 PolarHBondContact OD1-NZ 2.77Å; K592-S639 VanDerWaalsContact C-OG 3.22Å; K592-S639 PolarHBondContact O-OG 2.78Å
593A94.1Very high94.5Very high24 Ų2441.8 Ų41.820%0.19820%0.198CC..SBendtrans-125.2154177.100000111.3L559L559-A593 HydrophobicContact CD2-CB 4.1Å
594T95.3Very high94.7Very high72 Ų7240.8 Ų40.844%0.44219%0.193SC..  trans-77.2126.1167.3-610000108.8R557 V636 L637 S639R557-T594 PolarHBondContact NH1-O 2.98Å; R557-T594 VanDerWaalsContact NH1-O 3.14Å; R557-T594 PolarHBondContact NH2-O 3.22Å; T594-V636 HydrophobicContact CG2-CG1 3.9Å; T594-L637 WeakPolarHBondContact CA-O 3.37Å; T594-S639 PolarHBondContact OG1-N 3.49Å
595G92.9Very high94.9Very high1 Ų139.8 Ų39.81%0.0118%0.184CC..BIsolated β-bridgetrans-179.4176-177.400000113.1E499 L637E499-G595 WeakPolarHBondContact OE1-CA 3.44Å; G595-L637 PolarHBondContact N-O 3.41Å; G595-L637 VanDerWaalsContact N-O 3.1Å; G595-L637 PolarHBondContact O-N 2.89Å
596R91.4Very high95.1Very high24 Ų2435.4 Ų35.49%0.09117%0.168CC..  trans-91.5131.5174.4-172.7178-168.4167.57.3110.5E499 E510 L559 D598 H633E499-R596 WeakPolarHBondContact CA-O 3.35Å; E499-R596 WeakPolarHBondContact CB-O 3.38Å; E499-R596 HydrophobicContact CG-CB 4.4Å; E499-R596 WeakPolarHBondContact CG-O 3.4Å; E499-R596 PolarHBondContact OE1-N 3.4Å; E510-R596 IonicContact OE1-CZ 3.95Å; E510-R596 IonicContact OE1-NH1 2.96Å; E510-R596 PolarHBondContact OE1-NH1 2.86Å; E510-R596 IonicContact OE1-NH2 3.13Å; E510-R596 PolarHBondContact OE1-NH2 3.18Å; E510-R596 IonicContact OE2-CZ 3.32Å; E510-R596 IonicContact OE2-NH1 3.79Å; E510-R596 PolarHBondContact OE2-NH1 2.72Å; E510-R596 IonicContact OE2-NH2 3.33Å; L559-R596 VanDerWaalsContact CD1-O 3.22Å; L559-R596 WeakPolarHBondContact CD1-O 3.24Å; R596-D598 VanDerWaalsContact CD-OD1 3.29Å; R596-D598 WeakPolarHBondContact CD-OD1 3.41Å; R596-D598 IonicContact NE-OD1 3.21Å; R596-D598 PolarHBondContact O-N 3.22Å; R596-H633 VanDerWaalsContact CZ-O 3.23Å; R596-H633 PolarHBondContact NE-O 3.36Å; R596-H633 PolarHBondContact NH2-O 2.89Å
597V92.6Very high95.2Very high0 Ų029.7 Ų29.70%014%0.144CC..  trans-80.598.5172.6-179.10000108.1L497 L559 L591 L631 L637 M658L497-V597 HydrophobicContact CB-CG1 4.2Å; L497-V597 HydrophobicContact CB-CG2 4.49Å; L497-V597 HydrophobicContact CD1-CG1 4.21Å; L497-V597 HydrophobicContact CD1-CG2 4.08Å; L497-V597 HydrophobicContact CD2-CG1 3.92Å; L497-V597 HydrophobicContact CG-CG1 4.34Å; L559-V597 HydrophobicContact CD1-CG2 4.01Å; L591-V597 HydrophobicContact CD2-CG2 4.35Å; V597-L631 HydrophobicContact CG1-CD1 3.71Å; V597-L637 HydrophobicContact CG2-CD1 4.26Å; V597-M658 HydrophobicContact CB-CE 4.46Å; V597-M658 HydrophobicContact CB-SD 4.31Å; V597-M658 HydrophobicContact CG1-SD 4.13Å; V597-M658 HydrophobicContact CG2-SD 4.47Å
598D92.9Very high95.4Very high3 Ų328 Ų282%0.01614%0.135CC..  trans-91-25.2179.2-64.7-51.9000112.4V498 E499 S500 R504 R596 L631V498-D598 PolarHBondContact O-N 3.08Å; E499-D598 VanDerWaalsContact CA-OD2 3.26Å; E499-D598 WeakPolarHBondContact CA-OD2 3.22Å; E499-D598 WeakPolarHBondContact CG-OD2 3.42Å; S500-D598 PolarHBondContact N-OD2 3.19Å; R504-D598 HydrophobicContact CB-CB 4.47Å; R504-D598 WeakPolarHBondContact CD-OD1 3.33Å; R504-D598 IonicContact CZ-OD1 2.67Å; R504-D598 IonicContact NE-OD1 3.84Å; R504-D598 IonicContact NH1-OD1 3.7Å; R504-D598 PolarHBondContact NH1-OD1 3.05Å; R504-D598 IonicContact NH1-OD2 2.69Å; R504-D598 PolarHBondContact NH1-OD2 3.42Å; R596-D598 VanDerWaalsContact CD-OD1 3.29Å; R596-D598 WeakPolarHBondContact CD-OD1 3.41Å; R596-D598 IonicContact NE-OD1 3.21Å; R596-D598 PolarHBondContact O-N 3.22Å; D598-L631 PolarHBondContact O-N 3.34Å
599A94.7Very high95.5Very high0 Ų024.3 Ų24.30%011%0.111CC..EExtended strand (participates in β ladder)trans-158.6161.7175.700000114V498 I503 V628 F629V498-A599 HydrophobicContact CG2-CB 3.89Å; V498-A599 PolarHBondContact N-O 3.05Å; V498-A599 PolarHBondContact O-N 2.82Å; I503-A599 HydrophobicContact CG2-CB 4.1Å; A599-V628 HydrophobicContact CB-CG1 3.8Å; A599-F629 CarbonylContact C-O 3.53Å; A599-F629 WeakPolarHBondContact CA-O 3.46Å; A599-F629 WeakPolarHBondContact CB-O 3.37Å
600I95.8Very high95.4Very high0 Ų028.9 Ų28.90%013%0.132CC..EExtended strand (participates in β ladder)trans-98.4118.2158.4-42.6-179.5000107A495 L497 F563 F629 L631 I645 C656A495-I600 HydrophobicContact CB-CG2 3.83Å; L497-I600 HydrophobicContact CD2-CB 4.35Å; L497-I600 HydrophobicContact CD2-CD1 4.48Å; L497-I600 HydrophobicContact CD2-CG1 3.76Å; L497-I600 HydrophobicContact CD2-CG2 4.35Å; F563-I600 HydrophobicContact CZ-CG2 4.5Å; I600-F629 HydrophobicContact CB-CB 4.14Å; I600-F629 PolarHBondContact N-O 3.12Å; I600-F629 PolarHBondContact O-N 2.87Å; I600-L631 HydrophobicContact CD1-CD1 4.04Å; I600-L631 HydrophobicContact CG1-CD1 3.53Å; I600-L631 HydrophobicContact CG1-CG 4.18Å; I600-I645 HydrophobicContact CD1-CG2 3.75Å; I600-C656 HydrophobicContact CD1-CB 3.77Å; I600-C656 HydrophobicContact CG2-CB 4.49Å
601V96.8Very high95.3Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-94.6119172.61730000107.9A495 A496 V498 I550 W603 Q626 V628A495-V601 CarbonylContact C-O 3.53Å; A495-V601 WeakPolarHBondContact CA-O 3.41Å; A495-V601 WeakPolarHBondContact CB-O 3.46Å; A496-V601 PolarHBondContact N-O 2.97Å; A496-V601 PolarHBondContact O-N 2.8Å; V498-V601 HydrophobicContact CB-CG2 4.33Å; V498-V601 HydrophobicContact CG1-CB 4.31Å; V498-V601 HydrophobicContact CG1-CG2 3.73Å; V498-V601 HydrophobicContact CG2-CG2 3.6Å; I550-V601 HydrophobicContact CB-CG1 4.46Å; I550-V601 HydrophobicContact CD1-CG2 3.88Å; I550-V601 HydrophobicContact CG1-CG1 3.81Å; I550-V601 HydrophobicContact CG1-CG2 3.91Å; I550-V601 HydrophobicContact CG2-CG1 4.5Å; V601-W603 HydrophobicContact CG1-CE3 4.18Å; V601-W603 HydrophobicContact CG1-CZ3 4.37Å; V601-W603 WeakPolarHBondContact O-CZ3 3.47Å; V601-Q626 HydrophobicContact CG1-CB 4.08Å; V601-Q626 HydrophobicContact CG1-CG 4.37Å; V601-V628 HydrophobicContact CG2-CG2 4.31Å
602C97.3Very high95.4Very high1 Ų127.8 Ų27.81%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-108148.8176-61.80000111.5V493 W494 A495 Q626 A627 F629 L654V493-C602 HydrophobicContact CG1-CB 4.44Å; W494-C602 CarbonylContact O-C 3.47Å; W494-C602 VanDerWaalsContact O-CA 3.3Å; W494-C602 WeakPolarHBondContact O-CA 3.48Å; A495-C602 HydrophobicContact CB-CB 4.49Å; C602-Q626 WeakPolarHBondContact O-CB 3.5Å; C602-A627 HydrophobicContact CB-CB 4.24Å; C602-A627 PolarHBondContact N-O 2.74Å; C602-A627 PolarHBondContact O-N 2.86Å; C602-A627 VanDerWaalsContact O-N 3.11Å; C602-F629 HydrophobicContact CB-CD2 4.49Å; C602-F629 HydrophobicContact CB-CE2 3.99Å; C602-F629 WeakPolarHBondContact SG-CE2 3.43Å; C602-L654 HydrophobicContact CB-CD2 4.18Å
603W97.3Very high95.4Very high4 Ų427.7 Ų27.72%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-151.4172.7169.365.791.7000108.5W494 A496 W558 P562 V601 H617 Q626W494-W603 HydrophobicContact CB-CD2 4.15Å; W494-W603 HydrophobicContact CB-CH2 4.49Å; W494-W603 HydrophobicContact CB-CZ2 3.77Å; W494-W603 PolarHBondContact N-O 3.04Å; W494-W603 PolarHBondContact O-N 3.26Å; A496-W603 HydrophobicContact CB-CH2 4.26Å; A496-W603 HydrophobicContact CB-CZ3 4.26Å; W558-W603 HydrophobicContact CH2-CH2 4.3Å; W558-W603 AromaticContact CH2-CZ3 3.99Å; W558-W603 HydrophobicContact CH2-CZ3 3.99Å; W558-W603 AromaticContact CZ3-CH2 3.83Å; W558-W603 HydrophobicContact CZ3-CH2 3.83Å; W558-W603 AromaticContact CZ3-CZ3 3.77Å; W558-W603 HydrophobicContact CZ3-CZ3 3.77Å; P562-W603 HydrophobicContact CB-CH2 3.85Å; P562-W603 HydrophobicContact CB-CZ2 3.76Å; P562-W603 HydrophobicContact CG-CH2 3.94Å; P562-W603 HydrophobicContact CG-CZ2 3.97Å; V601-W603 HydrophobicContact CG1-CE3 4.18Å; V601-W603 HydrophobicContact CG1-CZ3 4.37Å; V601-W603 WeakPolarHBondContact O-CZ3 3.47Å; W603-H617 VanDerWaalsContact CD1-CA 3.46Å; W603-H617 AromaticContact CE2-CD2 3.74Å; W603-H617 HydrophobicContact CG-CB 4.29Å; W603-H617 AromaticContact CZ2-CD2 3.82Å; W603-H617 AromaticContact NE1-CD2 3.82Å; W603-Q626 HydrophobicContact CB-CG 4.12Å
604F96.9Very high95.4Very high0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-129.7166.4-179.865.5-88.1000112.9M459 D460 L463 A492 V493 A606 T616 W624M459-F604 HydrophobicContact CB-CE2 4.3Å; M459-F604 HydrophobicContact CB-CZ 3.92Å; M459-F604 HydrophobicContact CE-CE2 4.29Å; M459-F604 HydrophobicContact SD-CE2 3.84Å; M459-F604 HydrophobicContact SD-CZ 4.41Å; D460-F604 WeakPolarHBondContact O-CE1 3.44Å; L463-F604 HydrophobicContact CB-CB 4.18Å; L463-F604 HydrophobicContact CB-CD1 4.03Å; L463-F604 HydrophobicContact CB-CG 4.07Å; L463-F604 HydrophobicContact CD1-CB 4.49Å; L463-F604 HydrophobicContact CD1-CD2 3.85Å; L463-F604 HydrophobicContact CD1-CE2 4.15Å; L463-F604 HydrophobicContact CD1-CG 4.06Å; L463-F604 HydrophobicContact CD2-CB 4.43Å; A492-F604 CarbonylContact O-C 3.59Å; A492-F604 VanDerWaalsContact O-CA 3.27Å; A492-F604 WeakPolarHBondContact O-CA 3.49Å; V493-F604 HydrophobicContact CG2-CB 4.49Å; F604-A606 HydrophobicContact CD2-CB 4.13Å; F604-A606 HydrophobicContact CE2-CB 4.04Å; F604-T616 HydrophobicContact CD1-CG2 4.03Å; F604-T616 WeakPolarHBondContact CD1-OG1 3.33Å; F604-T616 HydrophobicContact CD2-CG2 4.37Å; F604-T616 HydrophobicContact CE1-CG2 3.47Å; F604-T616 VanDerWaalsContact CE1-CG2 3.47Å; F604-T616 WeakPolarHBondContact CE1-OG1 3.37Å; F604-T616 HydrophobicContact CE2-CG2 3.89Å; F604-T616 HydrophobicContact CG-CG2 4.44Å; F604-T616 HydrophobicContact CZ-CG2 3.4Å; F604-T616 VanDerWaalsContact CZ-CG2 3.4Å; F604-T616 PolarHBondContact N-OG1 2.97Å; F604-T616 PolarHBondContact O-N 3Å; F604-T616 PolarHBondContact O-OG1 3.34Å; F604-W624 HydrophobicContact CZ-CD2 4.3Å; F604-W624 AromaticContact CZ-CE2 4Å; F604-W624 HydrophobicContact CZ-CG 4.4Å; F604-W624 HydrophobicContact CZ-CZ2 4.42Å; F604-W624 AromaticContact CZ-NE1 3.92Å
605R96.8Very high95.4Very high101 Ų10124.4 Ų24.438%0.38112%0.116SC..EExtended strand (participates in β ladder)trans-123.2124.8160.1-59.1-162.3-173.6179.99.7109.5A491 A492 E613 I614A491-R605 CarbonylContact C-O 3.54Å; A491-R605 VanDerWaalsContact CA-O 3.22Å; A491-R605 WeakPolarHBondContact CA-O 3.46Å; A492-R605 PolarHBondContact N-O 2.85Å; A492-R605 PolarHBondContact O-N 3.06Å; R605-E613 WeakPolarHBondContact CD-OE1 3.46Å; R605-E613 IonicContact CZ-OE1 3.02Å; R605-E613 IonicContact NE-OE1 3.85Å; R605-E613 IonicContact NH1-OE1 2.68Å; R605-E613 PolarHBondContact NH1-OE1 3.26Å; R605-I614 CarbonylContact C-O 3.6Å; R605-I614 VanDerWaalsContact CA-O 3.23Å; R605-I614 WeakPolarHBondContact CA-O 3.48Å
606A96.9Very high95.5Very high0 Ų024.4 Ų24.40%012%0.116CC..EExtended strand (participates in β ladder)trans-103.4112.9175.600000109M459 P488 A491 F604 L608 E613 I614M459-A606 HydrophobicContact CE-CB 4.03Å; M459-A606 HydrophobicContact SD-CB 3.74Å; P488-A606 HydrophobicContact CB-CB 4.24Å; A491-A606 HydrophobicContact CB-CB 4.46Å; F604-A606 HydrophobicContact CD2-CB 4.13Å; F604-A606 HydrophobicContact CE2-CB 4.04Å; A606-L608 HydrophobicContact CB-CD2 4.37Å; A606-L608 PolarHBondContact O-N 2.82Å; A606-E613 CarbonylContact O-C 3.55Å; A606-E613 VanDerWaalsContact O-CA 3.31Å; A606-E613 WeakPolarHBondContact O-CA 3.42Å; A606-I614 PolarHBondContact N-O 3.04Å; A606-I614 PolarHBondContact O-N 2.69Å
607C97.7Very high95.6Very high8 Ų826.5 Ų26.55%0.05413%0.126CC..EExtended strand (participates in β ladder)trans-80.7103.8171.8177.90000107.7S489 R490 E610 I612S489-C607 PolarHBondContact N-O 3.35Å; S489-C607 PolarHBondContact OG-O 3.37Å; R490-C607 HydrophobicContact CG-CB 3.58Å; R490-C607 PolarHBondContact N-O 2.88Å; R490-C607 PolarHBondContact O-N 2.74Å; C607-E610 PolarHBondContact SG-O 2.96Å; C607-I612 CarbonylContact C-O 3.6Å
608L97.6Very high95.4Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-67.6-58.6-174.7-60.1-170000110.7S366 Y367 A370 I487 P488 S489 A606 I612 I614S366-L608 VanDerWaalsContact C-CD1 3.49Å; Y367-L608 HydrophobicContact CD2-CD1 3.82Å; Y367-L608 HydrophobicContact CD2-CD2 4.44Å; Y367-L608 HydrophobicContact CE1-CD2 4.4Å; Y367-L608 HydrophobicContact CE2-CD1 4.05Å; Y367-L608 HydrophobicContact CE2-CD2 3.81Å; Y367-L608 HydrophobicContact CG-CD1 4.07Å; A370-L608 HydrophobicContact CB-CB 3.51Å; A370-L608 HydrophobicContact CB-CD1 4.06Å; A370-L608 HydrophobicContact CB-CG 4.48Å; I487-L608 HydrophobicContact CG2-CB 4.02Å; I487-L608 HydrophobicContact CG2-CD2 4.32Å; P488-L608 HydrophobicContact CB-CD2 4.14Å; S489-L608 PolarHBondContact N-O 2.77Å; A606-L608 HydrophobicContact CB-CD2 4.37Å; A606-L608 PolarHBondContact O-N 2.82Å; L608-I612 HydrophobicContact CB-CG2 4.36Å; L608-I612 HydrophobicContact CD1-CG2 4.34Å; L608-I612 PolarHBondContact N-O 3.38Å; L608-I614 HydrophobicContact CD1-CD1 3.83Å; L608-I614 HydrophobicContact CD1-CG1 4.03Å; L608-I614 HydrophobicContact CD2-CD1 4.3Å; L608-I614 HydrophobicContact CG-CD1 4.39Å; L608-I614 HydrophobicContact CG-CG1 4.34Å
609F96.8Very high95.1Very high11 Ų1129.3 Ų29.35%0.04815%0.154CC..EExtended strand (participates in β ladder)trans-156.7128.6177.6-163.9-98.4000110.4A370 R373 A374 T377 F485 I487 D611 I612A370-F609 HydrophobicContact CB-CB 3.87Å; R373-F609 HydrophobicContact CB-CD1 4.33Å; R373-F609 HydrophobicContact CG-CD1 4.17Å; R373-F609 HydrophobicContact CG-CE1 4.29Å; A374-F609 HydrophobicContact CB-CD1 4.37Å; A374-F609 HydrophobicContact CB-CD2 3.93Å; A374-F609 HydrophobicContact CB-CE1 4.21Å; A374-F609 HydrophobicContact CB-CE2 3.75Å; A374-F609 HydrophobicContact CB-CG 4.24Å; A374-F609 HydrophobicContact CB-CZ 3.91Å; T377-F609 HydrophobicContact CG2-CE1 4.41Å; T377-F609 HydrophobicContact CG2-CZ 4.2Å; F485-F609 HydrophobicContact CB-CE2 4.19Å; F485-F609 AromaticContact CD1-CE2 3.99Å; F485-F609 HydrophobicContact CD1-CE2 3.99Å; F485-F609 HydrophobicContact CD2-CE2 4.11Å; F485-F609 HydrophobicContact CD2-CZ 4.42Å; F485-F609 HydrophobicContact CE1-CE2 4.35Å; F485-F609 HydrophobicContact CE1-CZ 4.46Å; F485-F609 HydrophobicContact CE2-CE2 4.46Å; F485-F609 HydrophobicContact CE2-CZ 4.34Å; F485-F609 AromaticContact CG-CE2 3.86Å; F485-F609 HydrophobicContact CG-CE2 3.86Å; F485-F609 HydrophobicContact CZ-CZ 4.36Å; I487-F609 HydrophobicContact CD1-CB 4.47Å; I487-F609 HydrophobicContact CD1-CD2 4.5Å; I487-F609 HydrophobicContact CG1-CB 4.41Å; I487-F609 HydrophobicContact CG1-CD2 4.3Å; F609-D611 PolarHBondContact O-N 3.14Å; F609-D611 VanDerWaalsContact O-N 3.13Å; F609-I612 WeakPolarHBondContact O-CB 3.34Å; F609-I612 PolarHBondContact O-N 3.05Å
610E93Very high94.7Very high110 Ų11031 Ų3151%0.51417%0.166SC..THydrogen-bonded Turntrans53.1-107.5-178.8-65.1176-178.800113.5R373 C607R373-E610 IonicContact CZ-OE2 3.54Å; R373-E610 IonicContact NE-OE2 3.53Å; R373-E610 PolarHBondContact NE-OE2 3.5Å; R373-E610 IonicContact NH2-OE2 2.75Å; R373-E610 PolarHBondContact NH2-OE2 3.1Å; C607-E610 PolarHBondContact SG-O 2.96Å
611D94Very high94Very high116 Ų11639.7 Ų39.762%0.6220%0.204SC*.THydrogen-bonded Turntrans-97.52.8178.254.8-72.5000114.4R373 F609R373-D611 IonicContact CZ-OD1 3.88Å; R373-D611 IonicContact NH1-OD1 3.61Å; R373-D611 PolarHBondContact NH1-OD1 2.88Å; R373-D611 IonicContact NH1-OD2 3.24Å; R373-D611 PolarHBondContact NH1-OD2 3.07Å; R373-D611 IonicContact NH2-OD1 2.94Å; R373-D611 PolarHBondContact NH2-OD1 3.06Å; F609-D611 PolarHBondContact O-N 3.14Å; F609-D611 VanDerWaalsContact O-N 3.13Å
612I97.2Very high93.3Very high19 Ų1940.1 Ų40.110%0.09721%0.207CC..EExtended strand (participates in β ladder)trans-88112-178.5-57.6163.1000109.1K369 A370 R373 C607 L608 F609K369-I612 HydrophobicContact CB-CD1 3.84Å; A370-I612 HydrophobicContact CB-CD1 4.3Å; A370-I612 HydrophobicContact CB-CG2 4.28Å; R373-I612 HydrophobicContact CB-CD1 4.47Å; C607-I612 CarbonylContact C-O 3.6Å; L608-I612 HydrophobicContact CB-CG2 4.36Å; L608-I612 HydrophobicContact CD1-CG2 4.34Å; L608-I612 PolarHBondContact N-O 3.38Å; F609-I612 WeakPolarHBondContact O-CB 3.34Å; F609-I612 PolarHBondContact O-N 3.05Å
613E94.8Very high92.6Very high88 Ų8840.6 Ų40.641%0.41121%0.21SC..EExtended strand (participates in β ladder)trans-117.6156.617671175-147.600114R605 A606R605-E613 WeakPolarHBondContact CD-OE1 3.46Å; R605-E613 IonicContact CZ-OE1 3.02Å; R605-E613 IonicContact NE-OE1 3.85Å; R605-E613 IonicContact NH1-OE1 2.68Å; R605-E613 PolarHBondContact NH1-OE1 3.26Å; A606-E613 CarbonylContact O-C 3.55Å; A606-E613 VanDerWaalsContact O-CA 3.31Å; A606-E613 WeakPolarHBondContact O-CA 3.42Å
614I94.9Very high92.1Very high7 Ų741 Ų414%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-114.4144.9161-71179000107.2R363 Y367 R605 A606 L608 T622 W624R363-I614 HydrophobicContact CB-CD1 4.37Å; R363-I614 HydrophobicContact CG-CD1 4.26Å; Y367-I614 HydrophobicContact CD2-CD1 3.77Å; Y367-I614 HydrophobicContact CE2-CD1 3.75Å; R605-I614 CarbonylContact C-O 3.6Å; R605-I614 VanDerWaalsContact CA-O 3.23Å; R605-I614 WeakPolarHBondContact CA-O 3.48Å; A606-I614 PolarHBondContact N-O 3.04Å; A606-I614 PolarHBondContact O-N 2.69Å; L608-I614 HydrophobicContact CD1-CD1 3.83Å; L608-I614 HydrophobicContact CD1-CG1 4.03Å; L608-I614 HydrophobicContact CD2-CD1 4.3Å; L608-I614 HydrophobicContact CG-CD1 4.39Å; L608-I614 HydrophobicContact CG-CG1 4.34Å; I614-T622 HydrophobicContact CG2-CG2 4.45Å; I614-W624 HydrophobicContact CD1-CH2 4.27Å; I614-W624 HydrophobicContact CD1-CZ3 4.33Å; I614-W624 HydrophobicContact CG2-CE3 4.14Å; I614-W624 HydrophobicContact CG2-CH2 4.06Å; I614-W624 HydrophobicContact CG2-CZ3 3.49Å; I614-W624 VanDerWaalsContact CG2-CZ3 3.49Å
615S94.4Very high91.8Very high20 Ų2042.3 Ų42.314%0.1422%0.218CC..EExtended strand (participates in β ladder)trans-134.6126.2-179.7163.80000109.9H617 S620S615-H617 VanDerWaalsContact C-N 3.34Å; S615-H617 WeakPolarHBondContact OG-CB 3.44Å; S615-S620 WeakPolarHBondContact O-CB 3.09Å; S615-S620 PolarHBondContact O-OG 3.18Å
616T95Very high91.7Very high0 Ų037.8 Ų37.80%020%0.201CC..  trans-95.914.5178.161.70000113.4F604 W624 Q626F604-T616 HydrophobicContact CD1-CG2 4.03Å; F604-T616 WeakPolarHBondContact CD1-OG1 3.33Å; F604-T616 HydrophobicContact CD2-CG2 4.37Å; F604-T616 HydrophobicContact CE1-CG2 3.47Å; F604-T616 VanDerWaalsContact CE1-CG2 3.47Å; F604-T616 WeakPolarHBondContact CE1-OG1 3.37Å; F604-T616 HydrophobicContact CE2-CG2 3.89Å; F604-T616 HydrophobicContact CG-CG2 4.44Å; F604-T616 HydrophobicContact CZ-CG2 3.4Å; F604-T616 VanDerWaalsContact CZ-CG2 3.4Å; F604-T616 PolarHBondContact N-OG1 2.97Å; F604-T616 PolarHBondContact O-N 3Å; F604-T616 PolarHBondContact O-OG1 3.34Å; T616-W624 HydrophobicContact CG2-CB 3.42Å; T616-W624 VanDerWaalsContact CG2-CB 3.42Å; T616-W624 HydrophobicContact CG2-CD2 3.59Å; T616-W624 HydrophobicContact CG2-CE3 3.7Å; T616-W624 HydrophobicContact CG2-CG 3.48Å; T616-W624 VanDerWaalsContact CG2-CG 3.48Å; T616-Q626 PolarHBondContact O-NE2 2.68Å
617H94.2Very high91.7Very high68 Ų6837.8 Ų37.832%0.31520%0.201SC..  trans-49.4141.2170.3174.2-99.8000111.9W603 S615 G619 S620W603-H617 VanDerWaalsContact CD1-CA 3.46Å; W603-H617 AromaticContact CE2-CD2 3.74Å; W603-H617 HydrophobicContact CG-CB 4.29Å; W603-H617 AromaticContact CZ2-CD2 3.82Å; W603-H617 AromaticContact NE1-CD2 3.82Å; S615-H617 VanDerWaalsContact C-N 3.34Å; S615-H617 WeakPolarHBondContact OG-CB 3.44Å; H617-G619 PolarHBondContact ND1-N 3.42Å; H617-G619 PolarHBondContact O-N 3.2Å; H617-S620 VanDerWaalsContact O-CB 3.25Å; H617-S620 WeakPolarHBondContact O-CB 3.44Å; H617-S620 PolarHBondContact O-N 3.17Å; H617-S620 PolarHBondContact O-OG 3.14Å
618P89.2Confident91.5Very high11 Ų1137.4 Ų37.47%0.07120%0.199CC..THydrogen-bonded Turntrans-55.1-20.4-174.3-26.930.9000117I550 I551 W558 Q626I550-P618 HydrophobicContact CB-CB 4.39Å; I550-P618 HydrophobicContact CB-CG 4.17Å; I550-P618 HydrophobicContact CG2-CG 4.24Å; I551-P618 HydrophobicContact CB-CB 4.39Å; I551-P618 WeakPolarHBondContact CB-O 3.47Å; I551-P618 WeakPolarHBondContact CG2-O 3.49Å; W558-P618 HydrophobicContact CH2-CG 3.9Å; W558-P618 HydrophobicContact CZ2-CG 4.01Å; P618-Q626 HydrophobicContact CG-CG 3.87Å
619G86.6Confident91.4Very high51 Ų5137.6 Ų37.653%0.52620%0.2SC..THydrogen-bonded Turntrans-87.8-217500000115.7H617H617-G619 PolarHBondContact ND1-N 3.42Å; H617-G619 PolarHBondContact O-N 3.2Å
620S86.4Confident91.2Very high37 Ų3737.3 Ų37.326%0.25920%0.199SC..SBendtrans-75.4157.3176-67.60000111.8S615 H617 T622S615-S620 WeakPolarHBondContact O-CB 3.09Å; S615-S620 PolarHBondContact O-OG 3.18Å; H617-S620 VanDerWaalsContact O-CB 3.25Å; H617-S620 WeakPolarHBondContact O-CB 3.44Å; H617-S620 PolarHBondContact O-N 3.17Å; H617-S620 PolarHBondContact O-OG 3.14Å; S620-T622 VanDerWaalsContact C-N 3.3Å; S620-T622 PolarHBondContact O-N 2.8Å
621K80Confident91Very high181 Ų18133 Ų3379%0.78718%0.18SC*.  trans-96.833.4176.5-67.7-168.3171.9-167.70113.3
622T82.1Confident90.6Very high10 Ų1030 Ų306%0.06116%0.16CC..  trans-87.6164.4-174.646.40000114D360 R549 I614 S620 W624D360-T622 WeakPolarHBondContact OD2-CA 3.5Å; R549-T622 PolarHBondContact NH2-O 2.81Å; I614-T622 HydrophobicContact CG2-CG2 4.45Å; S620-T622 VanDerWaalsContact C-N 3.3Å; S620-T622 PolarHBondContact O-N 2.8Å; T622-W624 HydrophobicContact CG2-CE3 4.15Å; T622-W624 HydrophobicContact CG2-CZ3 4.44Å
623S82.5Confident89.7Confident10 Ų1030.6 Ų30.67%0.0716%0.162CC..SBendtrans-74-29.4171.944.60000114K356 D360K356-S623 VanDerWaalsContact CD-O 3.25Å; K356-S623 WeakPolarHBondContact CD-O 3.33Å; K356-S623 WeakPolarHBondContact CE-O 3.1Å; K356-S623 PolarHBondContact NZ-O 3.01Å; K356-S623 WeakPolarHBondContact O-CB 3.45Å; D360-S623 WeakPolarHBondContact CB-OG 3.36Å; D360-S623 WeakPolarHBondContact OD2-CB 3.29Å; D360-S623 PolarHBondContact OD2-N 2.99Å; D360-S623 PolarHBondContact OD2-OG 3.1Å
624W86.6Confident88.6Confident14 Ų1430.9 Ų30.95%0.05317%0.166CC..  trans-61.7153.8167.8-66-82.7000112.5R363 E457 M459 D461 R549 F604 I614 T616 T622R363-W624 HydrophobicContact CB-CH2 4.47Å; R363-W624 HydrophobicContact CB-CZ3 4.09Å; R363-W624 VanDerWaalsContact CD-CH2 3.46Å; R363-W624 HydrophobicContact CG-CH2 3.72Å; R363-W624 HydrophobicContact CG-CZ3 3.84Å; E457-W624 WeakPolarHBondContact OE1-CZ2 3.43Å; E457-W624 WeakPolarHBondContact OE2-CZ2 3.47Å; M459-W624 HydrophobicContact CE-CZ2 4.22Å; M459-W624 PolarHBondContact O-NE1 3.25Å; D461-W624 WeakPolarHBondContact OD1-CA 3.43Å; D461-W624 WeakPolarHBondContact OD1-CB 3.43Å; R549-W624 PolarHBondContact NH2-O 3.5Å; F604-W624 HydrophobicContact CZ-CD2 4.3Å; F604-W624 AromaticContact CZ-CE2 4Å; F604-W624 HydrophobicContact CZ-CG 4.4Å; F604-W624 HydrophobicContact CZ-CZ2 4.42Å; F604-W624 AromaticContact CZ-NE1 3.92Å; I614-W624 HydrophobicContact CD1-CH2 4.27Å; I614-W624 HydrophobicContact CD1-CZ3 4.33Å; I614-W624 HydrophobicContact CG2-CE3 4.14Å; I614-W624 HydrophobicContact CG2-CH2 4.06Å; I614-W624 HydrophobicContact CG2-CZ3 3.49Å; I614-W624 VanDerWaalsContact CG2-CZ3 3.49Å; T616-W624 HydrophobicContact CG2-CB 3.42Å; T616-W624 VanDerWaalsContact CG2-CB 3.42Å; T616-W624 HydrophobicContact CG2-CD2 3.59Å; T616-W624 HydrophobicContact CG2-CE3 3.7Å; T616-W624 HydrophobicContact CG2-CG 3.48Å; T616-W624 VanDerWaalsContact CG2-CG 3.48Å; T622-W624 HydrophobicContact CG2-CE3 4.15Å; T622-W624 HydrophobicContact CG2-CZ3 4.44Å
625D90.8Very high87.9Confident26 Ų2635.4 Ų35.414%0.13919%0.191CC..  trans-108.4-143.2167.7-59.9-35.7000108.2K356 D461 R549K356-D625 IonicContact NZ-OD1 2.77Å; K356-D625 PolarHBondContact NZ-OD1 3.21Å; K356-D625 IonicContact NZ-OD2 3.59Å; K356-D625 PolarHBondContact NZ-OD2 3.32Å; D461-D625 PolarHBondContact OD1-N 3.5Å; R549-D625 HydrophobicContact CB-CB 4.48Å; R549-D625 IonicContact CZ-OD1 3.84Å; R549-D625 IonicContact NE-OD1 2.72Å; R549-D625 PolarHBondContact NE-OD1 3.43Å; R549-D625 IonicContact NH2-OD1 3.18Å; R549-D625 PolarHBondContact NH2-OD1 2.98Å
626Q95.2Very high87.6Confident6 Ų638.8 Ų38.83%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-133.3140-179.7-70.484.463.500111.9E548 I550 V601 C602 W603 T616 P618 V628E548-Q626 PolarHBondContact N-O 3.41Å; E548-Q626 WeakPolarHBondContact O-CB 3.35Å; E548-Q626 PolarHBondContact O-N 3.23Å; E548-Q626 PolarHBondContact O-OE1 2.64Å; I550-Q626 HydrophobicContact CG1-CB 4.28Å; V601-Q626 HydrophobicContact CG1-CB 4.08Å; V601-Q626 HydrophobicContact CG1-CG 4.37Å; C602-Q626 WeakPolarHBondContact O-CB 3.5Å; W603-Q626 HydrophobicContact CB-CG 4.12Å; T616-Q626 PolarHBondContact O-NE2 2.68Å; P618-Q626 HydrophobicContact CG-CG 3.87Å; Q626-V628 PolarHBondContact O-N 2.85Å
627A95.8Very high87.4Confident0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-75.1111.5174.500000110.7D461 Y545 C602 F629D461-A627 HydrophobicContact CB-CB 4.46Å; Y545-A627 HydrophobicContact CD1-CB 4.36Å; Y545-A627 HydrophobicContact CD2-CB 3.49Å; Y545-A627 VanDerWaalsContact CD2-CB 3.49Å; Y545-A627 HydrophobicContact CE2-CB 3.82Å; Y545-A627 HydrophobicContact CG-CB 3.8Å; C602-A627 HydrophobicContact CB-CB 4.24Å; C602-A627 PolarHBondContact N-O 2.74Å; C602-A627 PolarHBondContact O-N 2.86Å; C602-A627 VanDerWaalsContact O-N 3.11Å; A627-F629 HydrophobicContact CB-CE2 4.19Å
628V95.1Very high87.4Confident0 Ų040.5 Ų40.50%023%0.226CC..EExtended strand (participates in β ladder)trans-104.4120-178.4178.10000110.2I503 Y545 T546 E548 I550 A599 V601 Q626 P630I503-V628 HydrophobicContact CD1-CG1 4.05Å; I503-V628 HydrophobicContact CG2-CG1 4.04Å; Y545-V628 CarbonylContact C-O 3.59Å; Y545-V628 WeakPolarHBondContact CA-O 3.45Å; Y545-V628 WeakPolarHBondContact CB-O 3.46Å; T546-V628 PolarHBondContact N-O 3.4Å; T546-V628 PolarHBondContact O-N 3.17Å; E548-V628 HydrophobicContact CB-CG2 3.72Å; E548-V628 HydrophobicContact CG-CB 4.49Å; E548-V628 HydrophobicContact CG-CG2 4.15Å; I550-V628 HydrophobicContact CD1-CG2 3.78Å; I550-V628 HydrophobicContact CG1-CG2 4.04Å; A599-V628 HydrophobicContact CB-CG1 3.8Å; V601-V628 HydrophobicContact CG2-CG2 4.31Å; Q626-V628 PolarHBondContact O-N 2.85Å; V628-P630 WeakPolarHBondContact O-CD 3.37Å
629F94.2Very high87.6Confident4 Ų443 Ų432%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-98.7101.9173.1-61.1-94.9000108.3P544 Y545 A599 I600 C602 A627 L654 C656P544-F629 HydrophobicContact CB-CE1 4.41Å; P544-F629 WeakPolarHBondContact O-CD1 3.37Å; P544-F629 WeakPolarHBondContact O-CE1 3.35Å; Y545-F629 HydrophobicContact CD1-CD1 4.41Å; Y545-F629 AromaticContact CD1-CE1 3.46Å; Y545-F629 HydrophobicContact CD1-CE1 3.46Å; Y545-F629 VanDerWaalsContact CD1-CE1 3.46Å; Y545-F629 HydrophobicContact CD1-CE2 4.09Å; Y545-F629 AromaticContact CD1-CZ 3.26Å; Y545-F629 HydrophobicContact CD1-CZ 3.26Å; Y545-F629 HydrophobicContact CE1-CE1 4.37Å; Y545-F629 AromaticContact CE1-CZ 3.96Å; Y545-F629 HydrophobicContact CE1-CZ 3.96Å; Y545-F629 HydrophobicContact CG-CE1 4.18Å; Y545-F629 HydrophobicContact CG-CE2 4.37Å; Y545-F629 AromaticContact CG-CZ 3.94Å; Y545-F629 HydrophobicContact CG-CZ 3.94Å; A599-F629 CarbonylContact C-O 3.53Å; A599-F629 WeakPolarHBondContact CA-O 3.46Å; A599-F629 WeakPolarHBondContact CB-O 3.37Å; I600-F629 HydrophobicContact CB-CB 4.14Å; I600-F629 PolarHBondContact N-O 3.12Å; I600-F629 PolarHBondContact O-N 2.87Å; C602-F629 HydrophobicContact CB-CD2 4.49Å; C602-F629 HydrophobicContact CB-CE2 3.99Å; C602-F629 WeakPolarHBondContact SG-CE2 3.43Å; A627-F629 HydrophobicContact CB-CE2 4.19Å; F629-L654 WeakPolarHBondContact CE1-O 3.44Å; F629-L654 HydrophobicContact CE2-CD2 3.97Å; F629-L654 HydrophobicContact CE2-CG 4.33Å; F629-L654 HydrophobicContact CZ-CB 4.14Å; F629-L654 HydrophobicContact CZ-CD2 3.86Å; F629-L654 HydrophobicContact CZ-CG 3.75Å; F629-C656 HydrophobicContact CB-CB 4.37Å; F629-C656 HydrophobicContact CD1-CB 3.86Å; F629-C656 HydrophobicContact CD2-CB 3.77Å; F629-C656 HydrophobicContact CE1-CB 4.06Å; F629-C656 HydrophobicContact CE2-CB 3.98Å; F629-C656 HydrophobicContact CG-CB 3.71Å; F629-C656 HydrophobicContact CZ-CB 4.11Å
630P92.7Very high88Confident6 Ų642 Ų424%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-73.1133.7-177.5-9.527.3000109.7I503 H507 I528 C529 V628I503-P630 HydrophobicContact CG2-CB 4.29Å; H507-P630 HydrophobicContact CB-CB 3.57Å; H507-P630 HydrophobicContact CB-CG 4.11Å; H507-P630 VanDerWaalsContact CG-CG 3.47Å; I528-P630 HydrophobicContact CG2-CG 4.15Å; C529-P630 WeakPolarHBondContact CA-O 3.47Å; C529-P630 HydrophobicContact CB-CB 4.19Å; C529-P630 PolarHBondContact SG-O 3.48Å; V628-P630 WeakPolarHBondContact O-CD 3.37Å
631L89.6Confident88.3Confident20 Ų2041.5 Ų41.511%0.10523%0.23CC..  trans-118.2144.5-176.6-67.3179.3000111.4V597 D598 I600 M658V597-L631 HydrophobicContact CG1-CD1 3.71Å; D598-L631 PolarHBondContact O-N 3.34Å; I600-L631 HydrophobicContact CD1-CD1 4.04Å; I600-L631 HydrophobicContact CG1-CD1 3.53Å; I600-L631 HydrophobicContact CG1-CG 4.18Å; L631-M658 HydrophobicContact CD1-CB 3.77Å; L631-M658 HydrophobicContact CD2-CB 4.37Å
632Y85.1Confident88.8Confident52 Ų5240.1 Ų40.120%0.20422%0.224CC..  trans-107114.3166.4173.8-123.9000110.3V508 V523 L525 N634V508-Y632 HydrophobicContact CG1-CD2 3.67Å; V508-Y632 HydrophobicContact CG1-CE2 4.21Å; V508-Y632 HydrophobicContact CG1-CG 4.43Å; V523-Y632 HydrophobicContact CB-CE1 4.48Å; V523-Y632 HydrophobicContact CG1-CD1 4.29Å; V523-Y632 HydrophobicContact CG1-CD2 4.42Å; V523-Y632 HydrophobicContact CG1-CE1 3.85Å; V523-Y632 HydrophobicContact CG1-CE2 4.03Å; V523-Y632 HydrophobicContact CG2-CE1 4.06Å; V523-Y632 VanDerWaalsContact CG2-OH 3.23Å; V523-Y632 WeakPolarHBondContact CG2-OH 3.37Å; L525-Y632 HydrophobicContact CD1-CD1 3.78Å; L525-Y632 HydrophobicContact CD1-CG 4.18Å; L525-Y632 HydrophobicContact CD2-CD1 4.06Å; L525-Y632 HydrophobicContact CD2-CD2 4.22Å; L525-Y632 HydrophobicContact CD2-CG 3.71Å; Y632-N634 PolarHBondContact OH-ND2 3.37Å; Y632-N634 PolarHBondContact OH-OD1 3.01Å
633H78.8Confident89.2Confident32 Ų3240 Ų4015%0.14822%0.223CC..  trans-127.6141166-159.4-102.2000109.1R596 D635 M658R596-H633 VanDerWaalsContact CZ-O 3.23Å; R596-H633 PolarHBondContact NE-O 3.36Å; R596-H633 PolarHBondContact NH2-O 2.89Å; H633-D635 IonicContact CE1-OD2 3.14Å; H633-D635 PolarHBondContact CE1-OD2 3.25Å; H633-D635 PolarHBondContact ND1-N 3.33Å; H633-D635 PolarHBondContact ND1-O 2.98Å; H633-M658 HydrophobicContact CB-CE 3.71Å; H633-M658 WeakPolarHBondContact CD2-CE 3.41Å
634N71.4Confident89.7Confident93 Ų9344.9 Ų44.950%0.49725%0.245SC..  trans-79.4-43.3177.7-84-51.9000112.2Y632Y632-N634 PolarHBondContact OH-ND2 3.37Å; Y632-N634 PolarHBondContact OH-OD1 3.01Å
635D80.1Confident90Very high102 Ų10244.3 Ų44.355%0.54524%0.242SC..SBendtrans-85.6140.3-170.8-48-74.7000112.9H633 L637H633-D635 IonicContact CE1-OD2 3.14Å; H633-D635 PolarHBondContact CE1-OD2 3.25Å; H633-D635 PolarHBondContact ND1-N 3.33Å; H633-D635 PolarHBondContact ND1-O 2.98Å; D635-L637 HydrophobicContact CB-CD2 4.45Å; D635-L637 PolarHBondContact O-N 2.77Å
636V88.9Confident90Very high92 Ų9243.4 Ų43.456%0.55824%0.237SC*.  trans-74.9109.2163.1176.90000107.7T594T594-V636 HydrophobicContact CG2-CG1 3.9Å
637L90.9Very high90Very high31 Ų3143.2 Ų43.216%0.16224%0.237CC..BIsolated β-bridgetrans-81.5133-174.8-65177.8000110.7L591 T594 G595 V597 D635 V643L591-L637 HydrophobicContact CD1-CB 3.43Å; L591-L637 VanDerWaalsContact CD1-CB 3.43Å; L591-L637 HydrophobicContact CD1-CD1 4.08Å; L591-L637 HydrophobicContact CD1-CG 4.41Å; T594-L637 WeakPolarHBondContact CA-O 3.37Å; G595-L637 PolarHBondContact N-O 3.41Å; G595-L637 VanDerWaalsContact N-O 3.1Å; G595-L637 PolarHBondContact O-N 2.89Å; V597-L637 HydrophobicContact CG2-CD1 4.26Å; D635-L637 HydrophobicContact CB-CD2 4.45Å; D635-L637 PolarHBondContact O-N 2.77Å; L637-V643 HydrophobicContact CD1-CG2 3.81Å
638P93.2Very high89.8Confident73 Ų7344.4 Ų44.447%0.47424%0.244SC..PPolyproline II helixtrans-70.6150.217925.9-31.6000112.4G640 S641P638-G640 PolarHBondContact O-N 2.96Å; P638-S641 VanDerWaalsContact CD-OG 3.29Å; P638-S641 WeakPolarHBondContact CD-OG 3.3Å; P638-S641 WeakPolarHBondContact CG-OG 3.4Å; P638-S641 WeakPolarHBondContact O-CB 3.48Å; P638-S641 PolarHBondContact O-N 3.3Å; P638-S641 PolarHBondContact O-OG 3.24Å
639S94.7Very high89.5Confident64 Ų6444.6 Ų44.645%0.44825%0.245SC..THydrogen-bonded Turntrans-51.9139.7169.9-178.70000110.9K592 T594 S641K592-S639 VanDerWaalsContact C-OG 3.22Å; K592-S639 PolarHBondContact O-OG 2.78Å; T594-S639 PolarHBondContact OG1-N 3.49Å; S639-S641 VanDerWaalsContact C-N 3.32Å
640G93.5Very high88.9Confident28 Ų2847.9 Ų47.929%0.28926%0.263SS..THydrogen-bonded Turntrans87.3-10.3-173.900000114.9R590 L591 P638R590-G640 WeakPolarHBondContact CG-O 3.14Å; R590-G640 PolarHBondContact NH1-O 3.09Å; L591-G640 WeakPolarHBondContact O-CA 3.43Å; L591-G640 PolarHBondContact O-N 3.05Å; P638-G640 PolarHBondContact O-N 2.96Å
641S92.8Very high87.9Confident28 Ų2853.1 Ų53.120%0.19629%0.291CS..  trans-56.5144.2173.2-63.30000111.8R590 L591 P638 S639R590-S641 VanDerWaalsContact CA-O 3.31Å; R590-S641 WeakPolarHBondContact CA-O 3.27Å; R590-S641 WeakPolarHBondContact CG-O 3.15Å; L591-S641 PolarHBondContact N-O 3.23Å; P638-S641 VanDerWaalsContact CD-OG 3.29Å; P638-S641 WeakPolarHBondContact CD-OG 3.3Å; P638-S641 WeakPolarHBondContact CG-OG 3.4Å; P638-S641 WeakPolarHBondContact O-CB 3.48Å; P638-S641 PolarHBondContact O-N 3.3Å; P638-S641 PolarHBondContact O-OG 3.24Å; S639-S641 VanDerWaalsContact C-N 3.32Å
642K91.9Very high87.2Confident152 Ų15253.6 Ų53.666%0.66129%0.294SS*.EExtended strand (participates in β ladder)trans-94.5131.2169.1-70.5-175.8176.9-175.20109.1T588 V589T588-K642 HydrophobicContact CG2-CB 4.22Å; T588-K642 HydrophobicContact CG2-CD 4.12Å; T588-K642 HydrophobicContact CG2-CG 4.38Å; V589-K642 WeakPolarHBondContact O-CA 3.43Å
643V90.5Very high87.2Confident8 Ų851.7 Ų51.75%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-116.2134.1175.4170.30000107.7L497 T588 V589 L591 L637 I645 M658L497-V643 HydrophobicContact CD1-CB 4.14Å; L497-V643 HydrophobicContact CD1-CG1 3.9Å; L497-V643 HydrophobicContact CD1-CG2 4.26Å; T588-V643 WeakPolarHBondContact CA-O 3.46Å; V589-V643 HydrophobicContact CG2-CB 3.94Å; V589-V643 HydrophobicContact CG2-CG1 4.34Å; V589-V643 PolarHBondContact N-O 3.01Å; V589-V643 PolarHBondContact O-N 3.12Å; L591-V643 HydrophobicContact CD1-CG2 4.44Å; L591-V643 HydrophobicContact CD2-CG2 4.12Å; L591-V643 HydrophobicContact CG-CG2 4.2Å; L637-V643 HydrophobicContact CD1-CG2 3.81Å; V643-I645 HydrophobicContact CG1-CG1 4.07Å; V643-M658 HydrophobicContact CG1-CG 3.56Å; V643-M658 HydrophobicContact CG1-SD 3.39Å; V643-M658 WeakPolarHBondContact CG1-SD 3.43Å; V643-M658 HydrophobicContact CG2-SD 4.4Å
644Q92.1Very high87.9Confident112 Ų11250.1 Ų50.152%0.52328%0.282SS..EExtended strand (participates in β ladder)trans-95.2136170.2-71.5-174.11600109.6L587 M659L587-Q644 CarbonylContact O-C 3.59Å; L587-Q644 WeakPolarHBondContact O-CA 3.3Å; Q644-M659 HydrophobicContact CB-CB 3.91Å; Q644-M659 HydrophobicContact CB-CG 4.28Å; Q644-M659 PolarHBondContact O-N 3.39Å
645I92.3Very high88.8Confident1 Ų148.1 Ų48.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-126.2133.6179-55.6174.9000107.1L497 F563 L587 V589 I600 V643 C647 R657L497-I645 HydrophobicContact CD1-CD1 4.35Å; L497-I645 HydrophobicContact CD2-CD1 3.78Å; L497-I645 HydrophobicContact CG-CD1 4.24Å; F563-I645 HydrophobicContact CE1-CD1 4.23Å; F563-I645 HydrophobicContact CE2-CD1 3.95Å; F563-I645 HydrophobicContact CZ-CD1 3.44Å; F563-I645 VanDerWaalsContact CZ-CD1 3.44Å; L587-I645 HydrophobicContact CB-CB 4.35Å; L587-I645 PolarHBondContact N-O 3.36Å; L587-I645 PolarHBondContact O-N 3.16Å; V589-I645 HydrophobicContact CG1-CD1 4.11Å; V589-I645 HydrophobicContact CG2-CD1 3.76Å; V589-I645 HydrophobicContact CG2-CG1 4.37Å; I600-I645 HydrophobicContact CD1-CG2 3.75Å; V643-I645 HydrophobicContact CG1-CG1 4.07Å; I645-C647 VanDerWaalsContact CG2-SG 3.59Å; I645-R657 CarbonylContact C-O 3.34Å; I645-R657 WeakPolarHBondContact CA-O 3.3Å; I645-R657 VanDerWaalsContact CG2-O 3.32Å; I645-R657 WeakPolarHBondContact CG2-O 3.2Å
646L92.3Very high89.3Confident7 Ų743.3 Ų43.34%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-103.5119.6164176.657.4000108E584 F586 T648 R657 M659E584-L646 HydrophobicContact CB-CD1 4.07Å; F586-L646 HydrophobicContact CD1-CD1 4.09Å; F586-L646 HydrophobicContact CD2-CD1 4.01Å; F586-L646 HydrophobicContact CE1-CB 4.4Å; F586-L646 HydrophobicContact CE1-CD1 3.84Å; F586-L646 HydrophobicContact CE1-CD2 4.2Å; F586-L646 HydrophobicContact CE1-CG 4.37Å; F586-L646 HydrophobicContact CE2-CD1 3.74Å; F586-L646 HydrophobicContact CG-CD1 4.17Å; F586-L646 HydrophobicContact CZ-CD1 3.66Å; F586-L646 HydrophobicContact CZ-CD2 4.11Å; F586-L646 HydrophobicContact CZ-CG 4.43Å; L646-T648 HydrophobicContact CD1-CG2 3.93Å; L646-T648 HydrophobicContact CD2-CG2 4.1Å; L646-T648 HydrophobicContact CG-CG2 3.82Å; L646-R657 HydrophobicContact CB-CG 4.15Å; L646-R657 PolarHBondContact N-O 2.83Å; L646-R657 PolarHBondContact O-N 3.11Å; L646-M659 HydrophobicContact CB-CG 4.16Å; L646-M659 HydrophobicContact CB-SD 3.71Å; L646-M659 HydrophobicContact CD2-SD 4.33Å
647C93.6Very high89.2Confident2 Ų242.1 Ų42.11%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-107.1133166.5-54.10000108.4V565 R585 I645 R655V565-C647 HydrophobicContact CG1-CB 3.56Å; R585-C647 HydrophobicContact CB-CB 4.36Å; R585-C647 PolarHBondContact N-O 2.98Å; R585-C647 PolarHBondContact O-N 3.37Å; I645-C647 VanDerWaalsContact CG2-SG 3.59Å; C647-R655 CarbonylContact C-O 3.57Å; C647-R655 WeakPolarHBondContact CA-O 3.41Å
648T91.8Very high89.1Confident26 Ų2642.1 Ų42.116%0.1623%0.227CC..EExtended strand (participates in β ladder)trans-125.2145.4173.972.10000110.7I583 E584 L646 R655I583-T648 CarbonylContact O-C 3.6Å; I583-T648 WeakPolarHBondContact O-CA 3.35Å; I583-T648 WeakPolarHBondContact O-CB 3.22Å; E584-T648 HydrophobicContact CB-CG2 4.33Å; E584-T648 HydrophobicContact CG-CG2 3.81Å; L646-T648 HydrophobicContact CD1-CG2 3.93Å; L646-T648 HydrophobicContact CD2-CG2 4.1Å; L646-T648 HydrophobicContact CG-CG2 3.82Å; T648-R655 PolarHBondContact N-O 2.85Å; T648-R655 PolarHBondContact O-N 3.02Å
649V89.6Confident88.6Confident4 Ų440.9 Ų40.92%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-116.6110170.6-1790000106.3F464 G582 I583 G653 L654F464-V649 HydrophobicContact CD1-CG1 4.29Å; F464-V649 HydrophobicContact CD2-CG1 3.83Å; F464-V649 HydrophobicContact CD2-CG2 3.94Å; F464-V649 HydrophobicContact CE1-CG1 4.38Å; F464-V649 HydrophobicContact CE2-CB 4.39Å; F464-V649 HydrophobicContact CE2-CG1 3.94Å; F464-V649 HydrophobicContact CE2-CG2 3.47Å; F464-V649 VanDerWaalsContact CE2-CG2 3.47Å; F464-V649 HydrophobicContact CG-CG1 4Å; F464-V649 HydrophobicContact CZ-CG1 4.2Å; F464-V649 HydrophobicContact CZ-CG2 4.06Å; G582-V649 VanDerWaalsContact CA-O 3.31Å; G582-V649 WeakPolarHBondContact CA-O 3.36Å; I583-V649 PolarHBondContact N-O 2.83Å; I583-V649 PolarHBondContact O-N 3Å; V649-G653 WeakPolarHBondContact CA-O 3.41Å; V649-L654 HydrophobicContact CG2-CD1 4Å
650N81.4Confident87.5Confident72 Ų7242.5 Ų42.539%0.38523%0.225SC..EExtended strand (participates in β ladder)trans-153.6153.7-178-169.320.3000110.6N652 G653N650-N652 PolarHBondContact O-N 3.14Å; N650-N652 VanDerWaalsContact O-N 3.15Å; N650-G653 PolarHBondContact N-O 3.32Å; N650-G653 VanDerWaalsContact N-O 3.13Å; N650-G653 PolarHBondContact O-N 3.18Å
651N71.7Confident86.1Confident116 Ų11646 Ų4662%0.6225%0.245SC*.THydrogen-bonded Turntrans48.137.2-173.8-67.6-4.9000113.1G653N651-G653 PolarHBondContact O-N 2.6Å
652N74.3Confident84.3Confident31 Ų3150.4 Ų50.417%0.16627%0.266CS..THydrogen-bonded Turntrans56.625.3-172.4-62.4-35.4000115.4F464 G465 S467 S470 N650F464-N652 CarbonylContact C-O 3.43Å; G465-N652 VanDerWaalsContact CA-O 3.24Å; G465-N652 WeakPolarHBondContact CA-O 3.27Å; G465-N652 PolarHBondContact N-O 3.25Å; S467-N652 WeakPolarHBondContact CB-ND2 3.26Å; S467-N652 PolarHBondContact OG-ND2 2.82Å; S470-N652 PolarHBondContact OG-ND2 3.09Å; N650-N652 PolarHBondContact O-N 3.14Å; N650-N652 VanDerWaalsContact O-N 3.15Å
653G85.9Confident82Confident11 Ų1148.7 Ų48.711%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-124.8145.3174.900000113V649 N650 N651V649-G653 WeakPolarHBondContact CA-O 3.41Å; N650-G653 PolarHBondContact N-O 3.32Å; N650-G653 VanDerWaalsContact N-O 3.13Å; N650-G653 PolarHBondContact O-N 3.18Å; N651-G653 PolarHBondContact O-N 2.6Å
654L92.4Very high79.4Confident0 Ų052.3 Ų52.30%031%0.306CS..EExtended strand (participates in β ladder)trans-78.9132.8165.3-175.264000109.8F464 V493 Y545 V565 C602 F629 V649F464-L654 HydrophobicContact CD2-CB 4.19Å; V493-L654 HydrophobicContact CG1-CD2 3.89Å; Y545-L654 HydrophobicContact CE1-CB 4.29Å; Y545-L654 WeakPolarHBondContact CE1-O 3.09Å; V565-L654 HydrophobicContact CG1-CD1 4.31Å; C602-L654 HydrophobicContact CB-CD2 4.18Å; F629-L654 WeakPolarHBondContact CE1-O 3.44Å; F629-L654 HydrophobicContact CE2-CD2 3.97Å; F629-L654 HydrophobicContact CE2-CG 4.33Å; F629-L654 HydrophobicContact CZ-CB 4.14Å; F629-L654 HydrophobicContact CZ-CD2 3.86Å; F629-L654 HydrophobicContact CZ-CG 3.75Å; V649-L654 HydrophobicContact CG2-CD1 4Å
655R90.1Very high77.1Confident50 Ų5053.3 Ų53.319%0.18932%0.32CS..EExtended strand (participates in β ladder)trans-128.6116.7171.7-55.8-174.1-175-162.9-3108.8E541 P544 C647 T648E541-R655 IonicContact OE1-CZ 2.79Å; E541-R655 VanDerWaalsContact OE1-CZ 3.3Å; E541-R655 IonicContact OE1-NH1 2.74Å; E541-R655 PolarHBondContact OE1-NH1 3.39Å; E541-R655 IonicContact OE1-NH2 3.72Å; E541-R655 PolarHBondContact OE1-NH2 2.75Å; E541-R655 IonicContact OE2-NH2 3.85Å; E541-R655 PolarHBondContact OE2-NH2 3.35Å; P544-R655 HydrophobicContact CB-CG 4.03Å; C647-R655 CarbonylContact C-O 3.57Å; C647-R655 WeakPolarHBondContact CA-O 3.41Å; T648-R655 PolarHBondContact N-O 2.85Å; T648-R655 PolarHBondContact O-N 3.02Å
656C91.6Very high75.1Confident1 Ų160.7 Ų60.71%0.00735%0.354CS..EExtended strand (participates in β ladder)trans-117.6125.7179.8-62.30000110.4I600 F629I600-C656 HydrophobicContact CD1-CB 3.77Å; I600-C656 HydrophobicContact CG2-CB 4.49Å; F629-C656 HydrophobicContact CB-CB 4.37Å; F629-C656 HydrophobicContact CD1-CB 3.86Å; F629-C656 HydrophobicContact CD2-CB 3.77Å; F629-C656 HydrophobicContact CE1-CB 4.06Å; F629-C656 HydrophobicContact CE2-CB 3.98Å; F629-C656 HydrophobicContact CG-CB 3.71Å; F629-C656 HydrophobicContact CZ-CB 4.11Å
657R87.6Confident73.3Confident68 Ų6862.3 Ų62.326%0.25737%0.368SS..EExtended strand (participates in β ladder)trans-136.6150.4177.769.6177.6-173.6149.3-0.2112.7F531 E532 I645 L646F531-R657 HydrophobicContact CE1-CB 4.45Å; F531-R657 HydrophobicContact CZ-CB 4.36Å; E532-R657 WeakPolarHBondContact OE1-CD 3.44Å; E532-R657 IonicContact OE1-CZ 3.56Å; E532-R657 IonicContact OE1-NE 3.42Å; E532-R657 PolarHBondContact OE1-NE 3.39Å; E532-R657 IonicContact OE1-NH1 3.98Å; E532-R657 PolarHBondContact OE1-NH1 3.05Å; E532-R657 IonicContact OE2-CZ 2.9Å; E532-R657 IonicContact OE2-NH1 3.64Å; E532-R657 PolarHBondContact OE2-NH1 3.04Å; I645-R657 CarbonylContact C-O 3.34Å; I645-R657 WeakPolarHBondContact CA-O 3.3Å; I645-R657 VanDerWaalsContact CG2-O 3.32Å; I645-R657 WeakPolarHBondContact CG2-O 3.2Å; L646-R657 HydrophobicContact CB-CG 4.15Å; L646-R657 PolarHBondContact N-O 2.83Å; L646-R657 PolarHBondContact O-N 3.11Å
658M87Confident72.1Confident30 Ų3071.2 Ų71.215%0.14841%0.407CS..EExtended strand (participates in β ladder)trans-83.8131.1170.3-170.9165.370.900110V597 L631 H633 V643V597-M658 HydrophobicContact CB-CE 4.46Å; V597-M658 HydrophobicContact CB-SD 4.31Å; V597-M658 HydrophobicContact CG1-SD 4.13Å; V597-M658 HydrophobicContact CG2-SD 4.47Å; L631-M658 HydrophobicContact CD1-CB 3.77Å; L631-M658 HydrophobicContact CD2-CB 4.37Å; H633-M658 HydrophobicContact CB-CE 3.71Å; H633-M658 WeakPolarHBondContact CD2-CE 3.41Å; V643-M658 HydrophobicContact CG1-CG 3.56Å; V643-M658 HydrophobicContact CG1-SD 3.39Å; V643-M658 WeakPolarHBondContact CG1-SD 3.43Å; V643-M658 HydrophobicContact CG2-SD 4.4Å
659M83.9Confident71.6Confident47 Ų4770.8 Ų70.823%0.23241%0.406CS..PPolyproline II helixtrans-79.1137.2176.9-63.3-65.7-67.600109.9Q644 L646Q644-M659 HydrophobicContact CB-CB 3.91Å; Q644-M659 HydrophobicContact CB-CG 4.28Å; Q644-M659 PolarHBondContact O-N 3.39Å; L646-M659 HydrophobicContact CB-CG 4.16Å; L646-M659 HydrophobicContact CB-SD 3.71Å; L646-M659 HydrophobicContact CD2-SD 4.33Å
660P72.2Confident71.3Confident99 Ų9971.2 Ų71.264%0.64341%0.408SS*.PPolyproline II helixtrans-64.3136.8176.526.9-33.9000110.8
661S63.6Low71.3Confident102 Ų10270 Ų7071%0.71340%0.403SS*.SBendtrans-76.3-26.4-177.453.50000113.9
662D55.5Low71.8Confident119 Ų11964.8 Ų64.864%0.63638%0.376SS*.SBendtrans-139.3150.7175.5-78.4-71.3000109.5S664D662-S664 PolarHBondContact O-N 3.05Å
663A41.9Very low72.2Confident116 Ų11665.4 Ų65.496%0.95938%0.381SS*.SBendtrans-76.220.9-178.400000114.2
664S36.4Very low72.1Confident85 Ų8566.1 Ų66.159%0.59438%0.384SS*.  trans-95.8111.6-171.253.30000112.5D662D662-S664 PolarHBondContact O-N 3.05Å
665T43.5Very low71.7Confident133 Ų13368.1 Ų68.182%0.81641%0.405SS*.  trans53.386.116746.20000115.7A667T665-A667 PolarHBondContact O-N 3.47Å; T665-A667 VanDerWaalsContact O-N 3.16Å
666E51.9Low71.5Confident156 Ų15666.4 Ų66.473%0.72940%0.399SS*.  trans-53119.5143.9-73.3-174.2-155.200108.9K533K533-E666 WeakPolarHBondContact CE-OE2 3.41Å; K533-E666 IonicContact NZ-OE2 3.85Å; K533-E666 PolarHBondContact NZ-OE2 3.29Å
667A54.1Low71.5Confident40 Ų4066.3 Ų66.333%0.33140%0.399SS..  trans-62.2141.5169.500000109.5V523 T665 A669V523-A667 HydrophobicContact CG2-CB 4.24Å; T665-A667 PolarHBondContact O-N 3.47Å; T665-A667 VanDerWaalsContact O-N 3.16Å; A667-A669 PolarHBondContact O-N 3.45Å
668K67.8Low71.7Confident190 Ų19063.5 Ų63.583%0.82639%0.39SS*.  trans-74.371.5174.6-165.3-175.3-178.9-171.60110T522T522-K668 VanDerWaalsContact CG2-O 3.28Å; T522-K668 WeakPolarHBondContact CG2-O 3.27Å
669A81Confident71.9Confident17 Ų1762.9 Ų62.914%0.1439%0.387CS..  trans-75.2147.8178.100000111.6V523 L525 A667V523-A669 HydrophobicContact CB-CB 3.89Å; V523-A669 HydrophobicContact CG1-CB 4.31Å; V523-A669 VanDerWaalsContact O-CA 3.32Å; V523-A669 WeakPolarHBondContact O-CA 3.27Å; L525-A669 HydrophobicContact CD1-CB 3.73Å; L525-A669 HydrophobicContact CG-CB 4.02Å; A667-A669 PolarHBondContact O-N 3.45Å
670L84.2Confident72.3Confident12 Ų1260.7 Ų60.76%0.06338%0.376CS..EExtended strand (participates in β ladder)trans-87.9154.9167.9-56.6-175.1000110F520 T522 V523 V524 L525 E738 I739F520-L670 HydrophobicContact CZ-CD1 4.22Å; T522-L670 HydrophobicContact CG2-CG 4.14Å; V523-L670 PolarHBondContact O-N 3.18Å; V524-L670 WeakPolarHBondContact CA-O 3.49Å; V524-L670 HydrophobicContact CG1-CB 4.22Å; V524-L670 HydrophobicContact CG2-CB 4.39Å; L525-L670 PolarHBondContact N-O 3.29Å; L670-E738 HydrophobicContact CD1-CB 4.05Å; L670-E738 HydrophobicContact CD2-CB 4.04Å; L670-I739 HydrophobicContact CD1-CB 4.45Å; L670-I739 HydrophobicContact CD1-CG1 3.64Å
671V81Confident73.3Confident48 Ų4856.7 Ų56.729%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-114.7130178.5-1750000110.5L525 K533L525-V671 WeakPolarHBondContact O-CA 3.39Å; K533-V671 HydrophobicContact CB-CG2 4.39Å
672A81.2Confident74.7Confident5 Ų552 Ų524%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-137.4174.5-17700000111.5V524 L525 S526 S527 L676 V677V524-A672 HydrophobicContact CG1-CB 3.62Å; L525-A672 PolarHBondContact O-N 3.23Å; S526-A672 CarbonylContact C-O 3.6Å; S526-A672 VanDerWaalsContact CA-O 3.27Å; S526-A672 WeakPolarHBondContact CA-O 3.38Å; S527-A672 PolarHBondContact N-O 3.41Å; A672-L676 HydrophobicContact CB-CB 4.36Å; A672-L676 HydrophobicContact CB-CD2 3.99Å; A672-L676 HydrophobicContact CB-CG 4.29Å; A672-V677 HydrophobicContact CB-CG2 3.93Å
673T82.9Confident76.4Confident44 Ų4448.9 Ų48.927%0.2730%0.299SS..  trans-74.7150.416644.70000111.1G675 L676 V677 Q735T673-G675 PolarHBondContact O-N 3.45Å; T673-L676 WeakPolarHBondContact O-CB 3.38Å; T673-L676 PolarHBondContact O-N 3.49Å; T673-V677 WeakPolarHBondContact O-CG2 3.42Å; T673-V677 PolarHBondContact O-N 3.44Å; T673-Q735 PolarHBondContact OG1-OE1 2.84Å
674S84.8Confident78.7Confident27 Ų2745.9 Ų45.919%0.18927%0.266CS..Hα-helixtrans-54.5-41176.4-39.40000111.8D506 H507 S526 L676 V677 A678D506-S674 CarbonylContact O-C 3.6Å; D506-S674 WeakPolarHBondContact O-CA 3.41Å; D506-S674 WeakPolarHBondContact O-CB 3.48Å; D506-S674 VanDerWaalsContact O-O 3.09Å; H507-S674 PolarHBondContact CE1-OG 3.23Å; H507-S674 PolarHBondContact ND1-OG 3.39Å; S526-S674 WeakPolarHBondContact CB-OG 3.34Å; S674-L676 VanDerWaalsContact C-N 3.31Å; S674-L676 PolarHBondContact O-N 3.29Å; S674-V677 PolarHBondContact O-N 3.06Å; S674-V677 VanDerWaalsContact O-N 3.11Å; S674-A678 WeakPolarHBondContact O-CB 3.13Å; S674-A678 PolarHBondContact O-N 2.83Å
675G84.2Confident81.5Confident42 Ų4242 Ų4243%0.43324%0.238SC..Hα-helixtrans-61.1-33.1175.200000114.4T673 L679T673-G675 PolarHBondContact O-N 3.45Å; G675-L679 WeakPolarHBondContact O-CB 3.49Å; G675-L679 PolarHBondContact O-N 3.22Å
676L86.1Confident83.8Confident13 Ų1335.8 Ų35.87%0.06820%0.201CC..Hα-helixtrans-74.1-40.9171.9178.555.2000111A672 T673 S674 A678 L679 L680 Q735 I739A672-L676 HydrophobicContact CB-CB 4.36Å; A672-L676 HydrophobicContact CB-CD2 3.99Å; A672-L676 HydrophobicContact CB-CG 4.29Å; T673-L676 WeakPolarHBondContact O-CB 3.38Å; T673-L676 PolarHBondContact O-N 3.49Å; S674-L676 VanDerWaalsContact C-N 3.31Å; S674-L676 PolarHBondContact O-N 3.29Å; L676-A678 PolarHBondContact O-N 3.17Å; L676-L679 HydrophobicContact CD1-CD2 4.23Å; L676-L679 WeakPolarHBondContact O-CB 3.38Å; L676-L679 PolarHBondContact O-N 3.46Å; L676-L680 HydrophobicContact CD1-CD2 4.49Å; L676-L680 HydrophobicContact CD1-CG 4.24Å; L676-L680 HydrophobicContact CG-CD1 4.34Å; L676-L680 VanDerWaalsContact O-CG 3.27Å; L676-L680 WeakPolarHBondContact O-CG 3.26Å; L676-L680 PolarHBondContact O-N 2.94Å; L676-Q735 HydrophobicContact CD2-CB 4.14Å; L676-I739 HydrophobicContact CD2-CD1 4.16Å
677V91Very high85.8Confident0 Ų030.8 Ų30.80%018%0.179CC..Hα-helixtrans-63.6-41.6178.2178.50000111.5F509 V524 A672 T673 S674 L680 N681F509-V677 HydrophobicContact CB-CG1 4.25Å; V524-V677 HydrophobicContact CG1-CG2 4.2Å; A672-V677 HydrophobicContact CB-CG2 3.93Å; T673-V677 WeakPolarHBondContact O-CG2 3.42Å; T673-V677 PolarHBondContact O-N 3.44Å; S674-V677 PolarHBondContact O-N 3.06Å; S674-V677 VanDerWaalsContact O-N 3.11Å; V677-L680 PolarHBondContact O-N 3.01Å; V677-N681 PolarHBondContact O-N 3.08Å; V677-N681 PolarHBondContact O-ND2 3.06Å
678A91.4Very high87.6Confident8 Ų829.6 Ų29.67%0.06617%0.167CC..Hα-helixtrans-59.7-45.717200000111.8D506 S674 L676 L680 N681 D682 H931D506-A678 HydrophobicContact CB-CB 4.42Å; D506-A678 WeakPolarHBondContact OD1-CB 3.46Å; S674-A678 WeakPolarHBondContact O-CB 3.13Å; S674-A678 PolarHBondContact O-N 2.83Å; L676-A678 PolarHBondContact O-N 3.17Å; A678-L680 VanDerWaalsContact C-N 3.32Å; A678-L680 PolarHBondContact O-N 2.94Å; A678-N681 CarbonylContact O-C 3.29Å; A678-N681 PolarHBondContact O-N 3.24Å; A678-N681 VanDerWaalsContact O-N 3.16Å; A678-D682 PolarHBondContact O-N 3.13Å; A678-H931 HydrophobicContact CB-CB 3.74Å
679L90.9Very high88.9Confident17 Ų1720.5 Ų20.59%0.08913%0.128CC..Hα-helixtrans-61.9-34.4175.4174.263.6000113G675 L676 L685 D712 N713 H931G675-L679 WeakPolarHBondContact O-CB 3.49Å; G675-L679 PolarHBondContact O-N 3.22Å; L676-L679 HydrophobicContact CD1-CD2 4.23Å; L676-L679 WeakPolarHBondContact O-CB 3.38Å; L676-L679 PolarHBondContact O-N 3.46Å; L679-L685 HydrophobicContact CD1-CD2 3.6Å; L679-D712 HydrophobicContact CD2-CB 4.28Å; L679-N713 HydrophobicContact CD1-CB 4.12Å; L679-N713 WeakPolarHBondContact CD1-ND2 3.37Å; L679-N713 HydrophobicContact CD2-CB 4.17Å; L679-N713 HydrophobicContact CG-CB 4.13Å; L679-N713 PolarHBondContact O-ND2 2.95Å; L679-H931 VanDerWaalsContact CD1-CE1 3.43Å; L679-H931 WeakPolarHBondContact CD1-CE1 3.37Å
680L92Very high89.5Confident1 Ų122.1 Ų22.11%0.00513%0.13CC..Hα-helixtrans-72.3-34.8173.9-65.9172.1000112F509 V524 L676 V677 A678 D682 P714 F715 I739F509-L680 HydrophobicContact CD2-CB 3.75Å; F509-L680 HydrophobicContact CE2-CB 4.27Å; F509-L680 WeakPolarHBondContact CE2-O 3.38Å; F509-L680 HydrophobicContact CG-CB 4.32Å; V524-L680 HydrophobicContact CB-CD1 4.37Å; V524-L680 HydrophobicContact CG1-CD1 4.35Å; V524-L680 HydrophobicContact CG2-CD1 4.19Å; L676-L680 HydrophobicContact CD1-CD2 4.49Å; L676-L680 HydrophobicContact CD1-CG 4.24Å; L676-L680 HydrophobicContact CG-CD1 4.34Å; L676-L680 VanDerWaalsContact O-CG 3.27Å; L676-L680 WeakPolarHBondContact O-CG 3.26Å; L676-L680 PolarHBondContact O-N 2.94Å; V677-L680 PolarHBondContact O-N 3.01Å; A678-L680 VanDerWaalsContact C-N 3.32Å; A678-L680 PolarHBondContact O-N 2.94Å; L680-D682 VanDerWaalsContact C-N 3.31Å; L680-P714 HydrophobicContact CD2-CG 3.68Å; L680-F715 HydrophobicContact CB-CD2 4.44Å; L680-F715 HydrophobicContact CB-CE2 3.76Å; L680-F715 HydrophobicContact CB-CZ 4.34Å; L680-F715 HydrophobicContact CD2-CD1 4.4Å; L680-F715 HydrophobicContact CD2-CD2 3.83Å; L680-F715 HydrophobicContact CD2-CE1 4.16Å; L680-F715 HydrophobicContact CD2-CE2 3.57Å; L680-F715 HydrophobicContact CD2-CG 4.24Å; L680-F715 HydrophobicContact CD2-CZ 3.75Å; L680-F715 HydrophobicContact CG-CE2 4.21Å; L680-F715 HydrophobicContact CG-CZ 4.47Å; L680-F715 WeakPolarHBondContact O-CE2 3.41Å; L680-I739 HydrophobicContact CD1-CD1 4.12Å
681N93.4Very high89.9Confident15 Ų1524.8 Ų24.88%0.0814%0.144CC..Hα-helixtrans-76.3-12.9175.6-86.2-50.3000113.8N505 V508 R512 V677 A678 M683N505-N681 HydrophobicContact CB-CB 4.37Å; N505-N681 PolarHBondContact O-ND2 3.06Å; V508-N681 PolarHBondContact O-ND2 3.28Å; R512-N681 VanDerWaalsContact CZ-OD1 3.29Å; R512-N681 PolarHBondContact NH1-OD1 3.4Å; R512-N681 PolarHBondContact NH2-OD1 2.99Å; R512-N681 VanDerWaalsContact NH2-OD1 3.13Å; V677-N681 PolarHBondContact O-N 3.08Å; V677-N681 PolarHBondContact O-ND2 3.06Å; A678-N681 CarbonylContact O-C 3.29Å; A678-N681 PolarHBondContact O-N 3.24Å; A678-N681 VanDerWaalsContact O-N 3.16Å; N681-M683 VanDerWaalsContact C-N 3.26Å; N681-M683 PolarHBondContact O-N 3.27Å
682D92.9Very high90.4Very high4 Ų422.5 Ų22.52%0.02113%0.13CC..  trans-72.875.1178.5-163.8-20.5000113A678 L680 I684 L685 L686 N930 H931A678-D682 PolarHBondContact O-N 3.13Å; L680-D682 VanDerWaalsContact C-N 3.31Å; D682-I684 PolarHBondContact O-N 2.95Å; D682-I684 PolarHBondContact OD1-N 2.83Å; D682-L685 HydrophobicContact CB-CB 4.07Å; D682-L685 PolarHBondContact O-N 3.44Å; D682-L685 WeakPolarHBondContact OD1-CB 3.46Å; D682-L685 PolarHBondContact OD1-N 2.98Å; D682-L686 PolarHBondContact O-N 3.17Å; D682-L686 VanDerWaalsContact O-N 3.11Å; D682-N930 WeakPolarHBondContact OD2-CB 3.25Å; D682-H931 HydrophobicContact CB-CB 4.43Å; D682-H931 IonicContact OD2-CE1 2.79Å; D682-H931 IonicContact OD2-CG 2.75Å; D682-H931 PolarHBondContact OD2-N 2.97Å; D682-H931 IonicContact OD2-ND1 3.17Å; D682-H931 PolarHBondContact OD2-ND1 3.44Å
683M91.2Very high90.9Very high53 Ų5322.2 Ų22.226%0.26113%0.128SC..Hα-helixtrans-66.3-16.1177-61.5-58.6-6100112.9L514 P515 N681 L686 N687L514-M683 HydrophobicContact CD2-CE 4.12Å; L514-M683 HydrophobicContact CD2-SD 4.16Å; P515-M683 HydrophobicContact CG-CE 4.37Å; N681-M683 VanDerWaalsContact C-N 3.26Å; N681-M683 PolarHBondContact O-N 3.27Å; M683-L686 HydrophobicContact CE-CD2 4.29Å; M683-L686 HydrophobicContact SD-CD2 4.33Å; M683-N687 VanDerWaalsContact O-CB 3.31Å; M683-N687 WeakPolarHBondContact O-CB 3.27Å; M683-N687 PolarHBondContact O-N 3.39Å; M683-N687 VanDerWaalsContact O-N 3.12Å; M683-N687 PolarHBondContact O-ND2 3.27Å
684I91.5Very high91.1Very high54 Ų5422.9 Ų22.928%0.27713%0.128SC..Hα-helixtrans-78.1-47.7177.3-56178.5000109.1D682 N687 T688 F923 T929D682-I684 PolarHBondContact O-N 2.95Å; D682-I684 PolarHBondContact OD1-N 2.83Å; I684-N687 PolarHBondContact O-N 3.48Å; I684-T688 WeakPolarHBondContact O-CB 3.2Å; I684-T688 PolarHBondContact O-N 3.09Å; I684-T688 PolarHBondContact O-OG1 3.37Å; I684-F923 HydrophobicContact CB-CE2 4.22Å; I684-F923 HydrophobicContact CG2-CD2 3.99Å; I684-F923 HydrophobicContact CG2-CE2 3.9Å; I684-T929 VanDerWaalsContact CD1-OG1 3.24Å; I684-T929 WeakPolarHBondContact CD1-OG1 3.39Å
685L93.4Very high91.1Very high2 Ų222.6 Ų22.61%0.0113%0.128CC..Hα-helixtrans-57-51.5172.1-176.474.1000110.6L679 D682 N687 T688 Y689 I716 F923 F932L679-L685 HydrophobicContact CD1-CD2 3.6Å; D682-L685 HydrophobicContact CB-CB 4.07Å; D682-L685 PolarHBondContact O-N 3.44Å; D682-L685 WeakPolarHBondContact OD1-CB 3.46Å; D682-L685 PolarHBondContact OD1-N 2.98Å; L685-N687 VanDerWaalsContact C-N 3.34Å; L685-N687 PolarHBondContact O-N 3.34Å; L685-T688 PolarHBondContact O-N 2.84Å; L685-T688 VanDerWaalsContact O-N 3.15Å; L685-Y689 HydrophobicContact CD1-CD2 3.88Å; L685-Y689 HydrophobicContact CD1-CE2 3.51Å; L685-Y689 HydrophobicContact CG-CD2 4.15Å; L685-Y689 HydrophobicContact CG-CE2 4.19Å; L685-Y689 WeakPolarHBondContact O-CD2 3.27Å; L685-Y689 PolarHBondContact O-N 3.27Å; L685-I716 HydrophobicContact CD2-CD1 4.29Å; L685-I716 HydrophobicContact CG-CD1 4.31Å; L685-F923 HydrophobicContact CB-CE2 3.83Å; L685-F923 HydrophobicContact CB-CZ 3.98Å; L685-F923 HydrophobicContact CD1-CD1 4.09Å; L685-F923 HydrophobicContact CD1-CD2 4.4Å; L685-F923 HydrophobicContact CD1-CE1 3.78Å; L685-F923 HydrophobicContact CD1-CE2 4.11Å; L685-F923 HydrophobicContact CD1-CG 4.39Å; L685-F923 HydrophobicContact CD1-CZ 3.78Å; L685-F923 HydrophobicContact CG-CZ 4.48Å; L685-F932 HydrophobicContact CD1-CE2 4.35Å
686L93.5Very high91.1Very high4 Ų421 Ų212%0.02111%0.109CC..Hα-helixtrans-60.5-40.2-178.9-176.660.2000112.4L514 P515 D682 M683 R690 F715 I716 L719L514-L686 HydrophobicContact CD2-CD2 4.14Å; P515-L686 HydrophobicContact CG-CD2 4.25Å; P515-L686 HydrophobicContact CG-CG 4.32Å; D682-L686 PolarHBondContact O-N 3.17Å; D682-L686 VanDerWaalsContact O-N 3.11Å; M683-L686 HydrophobicContact CE-CD2 4.29Å; M683-L686 HydrophobicContact SD-CD2 4.33Å; L686-R690 WeakPolarHBondContact O-CB 3.34Å; L686-R690 PolarHBondContact O-N 3.07Å; L686-F715 HydrophobicContact CD1-CB 3.87Å; L686-F715 HydrophobicContact CD2-CB 3.92Å; L686-F715 HydrophobicContact CD2-CD2 4.26Å; L686-F715 HydrophobicContact CD2-CG 4.49Å; L686-I716 HydrophobicContact CD1-CG1 3.78Å; L686-L719 HydrophobicContact CD1-CD2 3.81Å; L686-L719 HydrophobicContact CG-CD2 4.49Å
687N92.9Very high91.1Very high50 Ų5025.3 Ų25.327%0.26713%0.128SC..Hα-helixtrans-72.6-32.9175.5-85.5-72.6000113.5M683 I684 L685 R690 L691M683-N687 VanDerWaalsContact O-CB 3.31Å; M683-N687 WeakPolarHBondContact O-CB 3.27Å; M683-N687 PolarHBondContact O-N 3.39Å; M683-N687 VanDerWaalsContact O-N 3.12Å; M683-N687 PolarHBondContact O-ND2 3.27Å; I684-N687 PolarHBondContact O-N 3.48Å; L685-N687 VanDerWaalsContact C-N 3.34Å; L685-N687 PolarHBondContact O-N 3.34Å; N687-R690 WeakPolarHBondContact O-CB 3.29Å; N687-R690 PolarHBondContact O-N 3.32Å; N687-R690 PolarHBondContact OD1-NE 2.86Å; N687-R690 VanDerWaalsContact OD1-NE 3.09Å; N687-R690 PolarHBondContact OD1-NH2 3.44Å; N687-L691 WeakPolarHBondContact O-CG 3.21Å; N687-L691 PolarHBondContact O-N 2.93Å
688T93.2Very high90.7Very high15 Ų1532 Ų329%0.09216%0.164CC..Hα-helixtrans-69.2-42.5174.8-64.20000111.2I684 L685 R690 L691 F692 V921 F923I684-T688 WeakPolarHBondContact O-CB 3.2Å; I684-T688 PolarHBondContact O-N 3.09Å; I684-T688 PolarHBondContact O-OG1 3.37Å; L685-T688 PolarHBondContact O-N 2.84Å; L685-T688 VanDerWaalsContact O-N 3.15Å; T688-R690 VanDerWaalsContact C-N 3.31Å; T688-R690 PolarHBondContact O-N 3.09Å; T688-L691 PolarHBondContact O-N 3.07Å; T688-L691 VanDerWaalsContact O-N 3.1Å; T688-F692 HydrophobicContact CG2-CD1 4.42Å; T688-F692 HydrophobicContact CG2-CD2 4.11Å; T688-F692 HydrophobicContact CG2-CE1 3.92Å; T688-F692 HydrophobicContact CG2-CE2 3.56Å; T688-F692 HydrophobicContact CG2-CZ 3.45Å; T688-F692 VanDerWaalsContact CG2-CZ 3.45Å; T688-F692 WeakPolarHBondContact O-CG 3.02Å; T688-F692 PolarHBondContact O-N 3.41Å; T688-V921 HydrophobicContact CG2-CG1 3.87Å; T688-F923 HydrophobicContact CG2-CB 3.77Å
689Y94.3Very high90.1Very high0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-64-34.7172.4-85.7-107.3000112.2L685 L691 F692 M693 T711 I716 C776 I806 L913L685-Y689 HydrophobicContact CD1-CD2 3.88Å; L685-Y689 HydrophobicContact CD1-CE2 3.51Å; L685-Y689 HydrophobicContact CG-CD2 4.15Å; L685-Y689 HydrophobicContact CG-CE2 4.19Å; L685-Y689 WeakPolarHBondContact O-CD2 3.27Å; L685-Y689 PolarHBondContact O-N 3.27Å; Y689-L691 PolarHBondContact O-N 3.12Å; Y689-F692 HydrophobicContact CD2-CD2 4.48Å; Y689-F692 PolarHBondContact O-N 3.37Å; Y689-M693 WeakPolarHBondContact O-CB 3.48Å; Y689-M693 WeakPolarHBondContact O-CE 3.48Å; Y689-M693 WeakPolarHBondContact O-CG 3.47Å; Y689-M693 PolarHBondContact O-N 2.88Å; Y689-T711 HydrophobicContact CD1-CG2 4.28Å; Y689-T711 HydrophobicContact CE1-CG2 3.63Å; Y689-I716 HydrophobicContact CD1-CD1 4.02Å; Y689-I716 HydrophobicContact CD1-CG2 3.84Å; Y689-I716 HydrophobicContact CD2-CD1 4.06Å; Y689-I716 HydrophobicContact CE1-CD1 4.46Å; Y689-I716 HydrophobicContact CG-CD1 3.79Å; Y689-I716 HydrophobicContact CG-CG2 4.29Å; Y689-C776 PolarHBondContact OH-O 3.05Å; Y689-I806 HydrophobicContact CD1-CG2 4.05Å; Y689-I806 HydrophobicContact CE1-CG2 4.1Å; Y689-L913 HydrophobicContact CE2-CD1 4.48Å
690R93.1Very high89.2Confident50 Ų5036.4 Ų36.419%0.18921%0.206CC..Hα-helixtrans-56.2-48.1168.8-172.9178.750.268.20.1111.9L686 N687 T688 M693 Q694 L719 L723L686-R690 WeakPolarHBondContact O-CB 3.34Å; L686-R690 PolarHBondContact O-N 3.07Å; N687-R690 WeakPolarHBondContact O-CB 3.29Å; N687-R690 PolarHBondContact O-N 3.32Å; N687-R690 PolarHBondContact OD1-NE 2.86Å; N687-R690 VanDerWaalsContact OD1-NE 3.09Å; N687-R690 PolarHBondContact OD1-NH2 3.44Å; T688-R690 VanDerWaalsContact C-N 3.31Å; T688-R690 PolarHBondContact O-N 3.09Å; R690-M693 PolarHBondContact O-N 2.9Å; R690-Q694 HydrophobicContact CG-CG 4.24Å; R690-Q694 VanDerWaalsContact O-CB 3.27Å; R690-Q694 WeakPolarHBondContact O-CB 3.45Å; R690-Q694 VanDerWaalsContact O-CG 3.22Å; R690-Q694 WeakPolarHBondContact O-CG 3.44Å; R690-Q694 PolarHBondContact O-N 3.46Å; R690-L719 HydrophobicContact CB-CD2 3.7Å; R690-L719 HydrophobicContact CG-CD1 4.43Å; R690-L719 HydrophobicContact CG-CD2 4.13Å; R690-L723 HydrophobicContact CG-CD1 4.44Å
691L92.4Very high87.9Confident68 Ų6838.9 Ų38.936%0.35622%0.221SC..Hα-helixtrans-66.7-43.4-178.2-70.4170.9000111.6N687 T688 Y689 Q694 A695 V921N687-L691 WeakPolarHBondContact O-CG 3.21Å; N687-L691 PolarHBondContact O-N 2.93Å; T688-L691 PolarHBondContact O-N 3.07Å; T688-L691 VanDerWaalsContact O-N 3.1Å; Y689-L691 PolarHBondContact O-N 3.12Å; L691-Q694 PolarHBondContact O-N 3.48Å; L691-A695 PolarHBondContact O-N 3.24Å; L691-A695 VanDerWaalsContact O-N 3.1Å; L691-V921 HydrophobicContact CB-CG1 4.12Å; L691-V921 HydrophobicContact CB-CG2 4.44Å; L691-V921 HydrophobicContact CD1-CG1 4.27Å
692F92.1Very high86.5Confident0 Ų039.5 Ų39.50%022%0.224CC..Hα-helixtrans-55.7-54.3172.2-64.1-26000111.3T688 Y689 Q694 A695 T696 I806 P807 C915 L918 V921T688-F692 HydrophobicContact CG2-CD1 4.42Å; T688-F692 HydrophobicContact CG2-CD2 4.11Å; T688-F692 HydrophobicContact CG2-CE1 3.92Å; T688-F692 HydrophobicContact CG2-CE2 3.56Å; T688-F692 HydrophobicContact CG2-CZ 3.45Å; T688-F692 VanDerWaalsContact CG2-CZ 3.45Å; T688-F692 WeakPolarHBondContact O-CG 3.02Å; T688-F692 PolarHBondContact O-N 3.41Å; Y689-F692 HydrophobicContact CD2-CD2 4.48Å; Y689-F692 PolarHBondContact O-N 3.37Å; F692-Q694 PolarHBondContact O-N 3.09Å; F692-A695 PolarHBondContact O-N 3.28Å; F692-T696 PolarHBondContact O-N 3.05Å; F692-T696 PolarHBondContact O-OG1 3.14Å; F692-I806 HydrophobicContact CB-CD1 4.3Å; F692-I806 HydrophobicContact CB-CG2 3.57Å; F692-I806 HydrophobicContact CD2-CG2 3.59Å; F692-I806 HydrophobicContact CG-CG2 3.98Å; F692-P807 HydrophobicContact CE2-CB 4.24Å; F692-C915 HydrophobicContact CD1-CB 3.91Å; F692-C915 WeakPolarHBondContact CD1-SG 3.25Å; F692-C915 HydrophobicContact CE1-CB 4.05Å; F692-C915 VanDerWaalsContact CG-SG 3.54Å; F692-L918 HydrophobicContact CD1-CD1 3.83Å; F692-V921 HydrophobicContact CD1-CB 4.3Å; F692-V921 HydrophobicContact CD1-CG1 3.84Å; F692-V921 HydrophobicContact CE1-CB 3.92Å; F692-V921 HydrophobicContact CE1-CG1 3.48Å; F692-V921 VanDerWaalsContact CE1-CG1 3.48Å; F692-V921 HydrophobicContact CZ-CG1 4.32Å
693M91.1Very high84.9Confident0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-63.5-40.2-179.5-73.8-169.9-76.200113.3Y689 R690 A695 T696 K697 I716 L719 A720 L723 F724 L775 I806Y689-M693 WeakPolarHBondContact O-CB 3.48Å; Y689-M693 WeakPolarHBondContact O-CE 3.48Å; Y689-M693 WeakPolarHBondContact O-CG 3.47Å; Y689-M693 PolarHBondContact O-N 2.88Å; R690-M693 PolarHBondContact O-N 2.9Å; M693-A695 VanDerWaalsContact C-N 3.29Å; M693-A695 PolarHBondContact O-N 2.95Å; M693-T696 PolarHBondContact O-N 3.36Å; M693-K697 WeakPolarHBondContact O-CB 3.47Å; M693-K697 PolarHBondContact O-N 3.26Å; M693-I716 HydrophobicContact CE-CG2 4.17Å; M693-L719 HydrophobicContact CE-CB 4.25Å; M693-L719 HydrophobicContact CE-CD2 3.72Å; M693-L719 HydrophobicContact CE-CG 3.82Å; M693-A720 HydrophobicContact CE-CB 4.47Å; M693-A720 HydrophobicContact SD-CB 3.59Å; M693-A720 VanDerWaalsContact SD-CB 3.59Å; M693-L723 HydrophobicContact CB-CD1 3.57Å; M693-L723 HydrophobicContact CE-CD1 4.07Å; M693-L723 HydrophobicContact SD-CD1 4.33Å; M693-F724 HydrophobicContact CB-CE2 3.8Å; M693-F724 HydrophobicContact CB-CZ 4.1Å; M693-F724 HydrophobicContact CG-CE2 3.98Å; M693-F724 VanDerWaalsContact O-CZ 3.3Å; M693-F724 WeakPolarHBondContact O-CZ 3.25Å; M693-F724 HydrophobicContact SD-CE2 4.06Å; M693-L775 HydrophobicContact CG-CD2 4.18Å; M693-L775 HydrophobicContact SD-CD1 3.83Å; M693-L775 HydrophobicContact SD-CD2 4.2Å; M693-I806 HydrophobicContact CG-CD1 3.86Å
694Q88.4Confident83.3Confident58 Ų5853.7 Ų53.727%0.27129%0.287SS..Hα-helixtrans-61.7-37176.4-79176.7-20.400111.9R690 L691 F692 N698 L723R690-Q694 HydrophobicContact CG-CG 4.24Å; R690-Q694 VanDerWaalsContact O-CB 3.27Å; R690-Q694 WeakPolarHBondContact O-CB 3.45Å; R690-Q694 VanDerWaalsContact O-CG 3.22Å; R690-Q694 WeakPolarHBondContact O-CG 3.44Å; R690-Q694 PolarHBondContact O-N 3.46Å; L691-Q694 PolarHBondContact O-N 3.48Å; F692-Q694 PolarHBondContact O-N 3.09Å; Q694-N698 WeakPolarHBondContact O-CB 3.43Å; Q694-N698 PolarHBondContact O-N 3Å; Q694-N698 PolarHBondContact O-ND2 3.19Å; Q694-N698 PolarHBondContact O-OD1 2.92Å; Q694-L723 HydrophobicContact CG-CD1 4.17Å; Q694-L723 HydrophobicContact CG-CD2 3.67Å
695A84.1Confident82.5Confident21 Ų2152 Ų5217%0.17428%0.28CS..Hα-helixtrans-69.6-46.217500000112.6L691 F692 M693 K697 N698 A699 L918L691-A695 PolarHBondContact O-N 3.24Å; L691-A695 VanDerWaalsContact O-N 3.1Å; F692-A695 PolarHBondContact O-N 3.28Å; M693-A695 VanDerWaalsContact C-N 3.29Å; M693-A695 PolarHBondContact O-N 2.95Å; A695-K697 PolarHBondContact O-N 3.09Å; A695-N698 PolarHBondContact O-N 3.08Å; A695-A699 WeakPolarHBondContact O-CB 3.44Å; A695-A699 PolarHBondContact O-N 3.22Å; A695-L918 HydrophobicContact CB-CD1 3.49Å; A695-L918 VanDerWaalsContact CB-CD1 3.49Å; A695-L918 HydrophobicContact CB-CD2 3.62Å; A695-L918 HydrophobicContact CB-CG 3.61Å
696T85Confident82.2Confident7 Ų752.3 Ų52.34%0.04328%0.282CS..Hα-helixtrans-59.2-35175.2-55.80000112F692 M693 V701 L773 Q804F692-T696 PolarHBondContact O-N 3.05Å; F692-T696 PolarHBondContact O-OG1 3.14Å; M693-T696 PolarHBondContact O-N 3.36Å; T696-V701 HydrophobicContact CG2-CB 3.87Å; T696-V701 HydrophobicContact CG2-CG1 4.21Å; T696-V701 HydrophobicContact CG2-CG2 4.11Å; T696-V701 PolarHBondContact O-N 3.02Å; T696-L773 HydrophobicContact CG2-CD1 4.3Å; T696-L773 HydrophobicContact CG2-CD2 4.41Å; T696-Q804 HydrophobicContact CG2-CG 4.08Å
697K84.2Confident82Confident105 Ų10552.1 Ų52.146%0.45728%0.281SS..Hα-helixtrans-64.6-50170.1-169.6-179.7179.7178.30112.1M693 A695 A699 G700 L723 F724M693-K697 WeakPolarHBondContact O-CB 3.47Å; M693-K697 PolarHBondContact O-N 3.26Å; A695-K697 PolarHBondContact O-N 3.09Å; K697-A699 VanDerWaalsContact C-N 3.27Å; K697-A699 PolarHBondContact O-N 2.81Å; K697-G700 PolarHBondContact O-N 3.25Å; K697-L723 WeakPolarHBondContact CD-O 3.33Å; K697-L723 VanDerWaalsContact CE-O 3.26Å; K697-L723 WeakPolarHBondContact CE-O 3.47Å; K697-L723 PolarHBondContact NZ-O 3.02Å; K697-F724 HydrophobicContact CB-CD1 4.12Å; K697-F724 HydrophobicContact CB-CE1 3.51Å; K697-F724 HydrophobicContact CB-CZ 4.14Å; K697-F724 HydrophobicContact CD-CD1 4.47Å; K697-F724 HydrophobicContact CG-CD1 4.12Å; K697-F724 HydrophobicContact CG-CE1 4.01Å
698N83.5Confident82Confident141 Ų14149.7 Ų49.775%0.75427%0.269SS*.Hα-helixtrans-64.9-29.9-178.7-69-14.2000112.8Q694 A695 G700Q694-N698 WeakPolarHBondContact O-CB 3.43Å; Q694-N698 PolarHBondContact O-N 3Å; Q694-N698 PolarHBondContact O-ND2 3.19Å; Q694-N698 PolarHBondContact O-OD1 2.92Å; A695-N698 PolarHBondContact O-N 3.08Å; N698-G700 PolarHBondContact O-N 3.25Å
699A78.4Confident81.9Confident76 Ų7649 Ų4963%0.62827%0.265SS*.THydrogen-bonded Turntrans-73.4-5.9172.100000113.8A695 K697 V701A695-A699 WeakPolarHBondContact O-CB 3.44Å; A695-A699 PolarHBondContact O-N 3.22Å; K697-A699 VanDerWaalsContact C-N 3.27Å; K697-A699 PolarHBondContact O-N 2.81Å; A699-V701 VanDerWaalsContact C-N 3.32Å; A699-V701 HydrophobicContact CB-CG2 3.95Å; A699-V701 PolarHBondContact O-N 3.05Å
700G72.8Confident81.7Confident41 Ų4149.4 Ų49.442%0.42327%0.266SS..THydrogen-bonded Turntrans72.420.217500000115.1K697 N698 L702K697-G700 PolarHBondContact O-N 3.25Å; N698-G700 PolarHBondContact O-N 3.25Å; G700-L702 PolarHBondContact O-N 3.48Å
701V64.5Low81.5Confident52 Ų5247.2 Ų47.232%0.31526%0.258SS..  trans-66.8-34.3-173.6-179.80000112.4T696 A699 Q804T696-V701 HydrophobicContact CG2-CB 3.87Å; T696-V701 HydrophobicContact CG2-CG1 4.21Å; T696-V701 HydrophobicContact CG2-CG2 4.11Å; T696-V701 PolarHBondContact O-N 3.02Å; A699-V701 VanDerWaalsContact C-N 3.32Å; A699-V701 HydrophobicContact CB-CG2 3.95Å; A699-V701 PolarHBondContact O-N 3.05Å; V701-Q804 HydrophobicContact CG1-CB 4.07Å; V701-Q804 HydrophobicContact CG1-CG 4.47Å
702L65.1Low81.1Confident28 Ų2845.3 Ų45.315%0.14725%0.249CC..  trans-95.6112.5-179.6-95.7158.3000111.5G700 S705 I707 F724 T772 L773G700-L702 PolarHBondContact O-N 3.48Å; L702-S705 WeakPolarHBondContact CD2-O 3.07Å; L702-S705 WeakPolarHBondContact CD2-OG 3.43Å; L702-I707 HydrophobicContact CD1-CD1 3.93Å; L702-I707 HydrophobicContact CD1-CG1 4.01Å; L702-I707 HydrophobicContact CD2-CG1 4.44Å; L702-F724 HydrophobicContact CB-CD1 4.11Å; L702-F724 HydrophobicContact CB-CE1 4.27Å; L702-F724 HydrophobicContact CD1-CD1 3.43Å; L702-F724 VanDerWaalsContact CD1-CD1 3.43Å; L702-F724 HydrophobicContact CD1-CD2 4.22Å; L702-F724 HydrophobicContact CD1-CE1 3.4Å; L702-F724 VanDerWaalsContact CD1-CE1 3.4Å; L702-F724 HydrophobicContact CD1-CE2 4.19Å; L702-F724 HydrophobicContact CD1-CG 3.85Å; L702-F724 HydrophobicContact CD1-CZ 3.81Å; L702-F724 HydrophobicContact CG-CD1 4.39Å; L702-F724 HydrophobicContact CG-CE1 4.44Å; L702-T772 WeakPolarHBondContact CD2-OG1 3.12Å; L702-L773 HydrophobicContact CD1-CB 3.98Å; L702-L773 HydrophobicContact CD1-CD2 3.55Å; L702-L773 HydrophobicContact CD1-CG 4.41Å; L702-L773 HydrophobicContact CG-CB 4.42Å
703K57.5Low80.9Confident169 Ų16945.3 Ų45.374%0.73525%0.249SC*.SBendtrans-120.685.4171.5-74-174.8178.5177.20110.5S705K703-S705 VanDerWaalsContact C-N 3.28Å; K703-S705 PolarHBondContact O-N 3.22Å
704H59.4Low80.8Confident186 Ų18645.3 Ų45.386%0.86125%0.249SC*.SBendtrans66.316.1171.4-44-69.8000116.7
705S73.2Confident81Confident19 Ų1942.6 Ų42.613%0.13324%0.236CC..  trans-96.5160.7172.935.50000112.2L702 K703 P770 T772L702-S705 WeakPolarHBondContact CD2-O 3.07Å; L702-S705 WeakPolarHBondContact CD2-OG 3.43Å; K703-S705 VanDerWaalsContact C-N 3.28Å; K703-S705 PolarHBondContact O-N 3.22Å; S705-P770 WeakPolarHBondContact CB-O 3.41Å; S705-T772 WeakPolarHBondContact CB-OG1 3.36Å; S705-T772 WeakPolarHBondContact OG-CG2 3.25Å; S705-T772 PolarHBondContact OG-OG1 3.23Å
706A87.1Confident81.3Confident8 Ų841.6 Ų41.67%0.06623%0.228CC..EExtended strand (participates in β ladder)trans-79.7170.8178.900000112.8E727 A769 C771 T772A706-E727 WeakPolarHBondContact CA-O 3.38Å; A706-E727 HydrophobicContact CB-CB 4.34Å; A706-A769 HydrophobicContact CB-CB 4.03Å; A706-C771 VanDerWaalsContact O-CA 3.29Å; A706-C771 WeakPolarHBondContact O-CA 3.26Å; A706-T772 PolarHBondContact O-N 3.04Å; A706-T772 VanDerWaalsContact O-N 3.16Å
707I90.9Very high81.6Confident0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-118.8137.7177.7-56.3173.7000108.7L702 A720 F724 V726 E727 V728 W729 L773 L775L702-I707 HydrophobicContact CD1-CD1 3.93Å; L702-I707 HydrophobicContact CD1-CG1 4.01Å; L702-I707 HydrophobicContact CD2-CG1 4.44Å; I707-A720 HydrophobicContact CD1-CB 4.12Å; I707-F724 HydrophobicContact CD1-CB 4.04Å; I707-F724 HydrophobicContact CD1-CD2 3.4Å; I707-F724 VanDerWaalsContact CD1-CD2 3.4Å; I707-F724 HydrophobicContact CD1-CE2 3.99Å; I707-F724 HydrophobicContact CD1-CG 3.87Å; I707-V726 HydrophobicContact CD1-CG2 3.75Å; I707-V726 HydrophobicContact CG1-CG2 3.83Å; I707-E727 PolarHBondContact N-O 2.79Å; I707-V728 HydrophobicContact CB-CG2 4.18Å; I707-V728 HydrophobicContact CD1-CG2 4.23Å; I707-V728 WeakPolarHBondContact O-CA 3.41Å; I707-W729 PolarHBondContact O-N 2.86Å; I707-L773 WeakPolarHBondContact CA-O 3.27Å; I707-L773 HydrophobicContact CD1-CD2 4.15Å; I707-L773 HydrophobicContact CG1-CB 4.28Å; I707-L773 HydrophobicContact CG1-CD2 4.25Å; I707-L773 HydrophobicContact CG2-CB 4.35Å; I707-L773 HydrophobicContact CG2-CD2 4.24Å; I707-L773 HydrophobicContact CG2-CG 4.18Å; I707-L775 HydrophobicContact CG2-CD1 4.13Å; I707-L775 HydrophobicContact CG2-CD2 4.49Å; I707-L775 HydrophobicContact CG2-CG 3.91Å
708L91.9Very high81.8Confident0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-97.3134.1166.4-170.874.5000109.8L710 W729 F759 V765 C771 L773 L774 L775 L800 I802L708-L710 HydrophobicContact CD2-CD1 4.18Å; L708-L710 HydrophobicContact CD2-CD2 4.4Å; L708-L710 HydrophobicContact CD2-CG 4.21Å; L708-L710 HydrophobicContact CG-CG 4.38Å; L708-W729 CarbonylContact C-O 3.55Å; L708-W729 WeakPolarHBondContact CA-O 3.37Å; L708-W729 HydrophobicContact CD1-CB 4.09Å; L708-F759 HydrophobicContact CD1-CD1 4.4Å; L708-F759 HydrophobicContact CD1-CE1 3.51Å; L708-F759 HydrophobicContact CD1-CZ 3.67Å; L708-V765 HydrophobicContact CD1-CG1 4.29Å; L708-V765 HydrophobicContact CD1-CG2 3.99Å; L708-C771 HydrophobicContact CB-CB 4.24Å; L708-L773 PolarHBondContact N-O 3.34Å; L708-L774 HydrophobicContact CB-CG 4.49Å; L708-L774 HydrophobicContact CD2-CD1 3.9Å; L708-L774 HydrophobicContact CD2-CG 4.32Å; L708-L774 CarbonylContact O-C 3.56Å; L708-L774 VanDerWaalsContact O-CA 3.31Å; L708-L774 WeakPolarHBondContact O-CA 3.4Å; L708-L775 PolarHBondContact O-N 2.99Å; L708-L800 HydrophobicContact CD1-CD1 4.49Å; L708-L800 HydrophobicContact CD2-CD1 4.02Å; L708-I802 HydrophobicContact CD2-CD1 4.37Å
709D91.7Very high82.1Confident1 Ų129.6 Ų29.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-118.6122.9176.1170.751000111.9T711 A717 V728 W729 S730 Q731D709-T711 VanDerWaalsContact OD1-CB 3.26Å; D709-T711 WeakPolarHBondContact OD1-CB 3.42Å; D709-T711 VanDerWaalsContact OD1-CG2 3.27Å; D709-T711 WeakPolarHBondContact OD1-CG2 3.3Å; D709-T711 PolarHBondContact OD1-N 3.27Å; D709-T711 PolarHBondContact OD1-OG1 2.93Å; D709-A717 HydrophobicContact CB-CB 4.44Å; D709-V728 HydrophobicContact CB-CG1 4.05Å; D709-W729 PolarHBondContact N-O 3.38Å; D709-S730 WeakPolarHBondContact OD2-CB 3.36Å; D709-S730 PolarHBondContact OD2-OG 2.91Å; D709-Q731 PolarHBondContact O-N 2.88Å
710L89.7Confident82.7Confident7 Ų726 Ų264%0.03714%0.139CC..EExtended strand (participates in β ladder)trans-127.331.5175.9-54.1176.4000110L708 Q731 F759 L774 L775 C776 C777 Q792L708-L710 HydrophobicContact CD2-CD1 4.18Å; L708-L710 HydrophobicContact CD2-CD2 4.4Å; L708-L710 HydrophobicContact CD2-CG 4.21Å; L708-L710 HydrophobicContact CG-CG 4.38Å; L710-Q731 HydrophobicContact CD2-CB 4.29Å; L710-F759 HydrophobicContact CD2-CZ 3.98Å; L710-L774 HydrophobicContact CD1-CD1 4.04Å; L710-L774 HydrophobicContact CD1-CD2 4.4Å; L710-L774 HydrophobicContact CD1-CG 4.4Å; L710-L775 WeakPolarHBondContact CA-O 3.36Å; L710-L775 PolarHBondContact N-O 3.49Å; L710-C776 HydrophobicContact CB-CB 4.1Å; L710-C777 PolarHBondContact O-N 2.99Å; L710-Q792 HydrophobicContact CD1-CB 3.97Å
711T89.1Confident83.4Confident4 Ų424.2 Ų24.23%0.02512%0.12CC..SBendtrans-88.6-12.917962.60000114.4Y689 D709 N713 I716 L775Y689-T711 HydrophobicContact CD1-CG2 4.28Å; Y689-T711 HydrophobicContact CE1-CG2 3.63Å; D709-T711 VanDerWaalsContact OD1-CB 3.26Å; D709-T711 WeakPolarHBondContact OD1-CB 3.42Å; D709-T711 VanDerWaalsContact OD1-CG2 3.27Å; D709-T711 WeakPolarHBondContact OD1-CG2 3.3Å; D709-T711 PolarHBondContact OD1-N 3.27Å; D709-T711 PolarHBondContact OD1-OG1 2.93Å; T711-N713 PolarHBondContact O-N 2.83Å; T711-N713 PolarHBondContact OG1-N 2.8Å; T711-I716 HydrophobicContact CG2-CD1 4.4Å; T711-I716 HydrophobicContact CG2-CG2 4.15Å; T711-L775 HydrophobicContact CG2-CB 3.78Å
712D83Confident84.4Confident29 Ų2924.1 Ų24.116%0.15512%0.115CC..SBendtrans62.42.1-169-59.7-46.6000115.5L679 K733 R786L679-D712 HydrophobicContact CD2-CB 4.28Å; D712-K733 WeakPolarHBondContact OD1-CE 3.35Å; D712-K733 IonicContact OD1-NZ 3.63Å; D712-K733 PolarHBondContact OD1-NZ 2.96Å; D712-K733 IonicContact OD2-NZ 3.13Å; D712-K733 PolarHBondContact OD2-NZ 2.8Å; D712-K733 VanDerWaalsContact OD2-NZ 3.07Å; D712-R786 IonicContact OD2-CZ 2.66Å; D712-R786 VanDerWaalsContact OD2-CZ 3.29Å; D712-R786 IonicContact OD2-NH1 3.94Å; D712-R786 PolarHBondContact OD2-NH1 2.99Å; D712-R786 IonicContact OD2-NH2 2.81Å; D712-R786 PolarHBondContact OD2-NH2 3.46Å
713N89.2Confident85.5Confident0 Ų023.4 Ų23.40%011%0.111CC..  trans-106.4108.6-175.3-171.2-46.8000110.9L679 T711 F715 I716 A717L679-N713 HydrophobicContact CD1-CB 4.12Å; L679-N713 WeakPolarHBondContact CD1-ND2 3.37Å; L679-N713 HydrophobicContact CD2-CB 4.17Å; L679-N713 HydrophobicContact CG-CB 4.13Å; L679-N713 PolarHBondContact O-ND2 2.95Å; T711-N713 PolarHBondContact O-N 2.83Å; T711-N713 PolarHBondContact OG1-N 2.8Å; N713-F715 PolarHBondContact O-N 2.63Å; N713-F715 WeakPolarHBondContact OD1-CB 3.44Å; N713-F715 PolarHBondContact OD1-N 2.88Å; N713-I716 HydrophobicContact CB-CB 4.18Å; N713-I716 HydrophobicContact CB-CD1 3.76Å; N713-I716 HydrophobicContact CB-CG1 3.84Å; N713-I716 PolarHBondContact O-N 2.94Å; N713-I716 PolarHBondContact OD1-N 2.99Å; N713-A717 PolarHBondContact O-N 3.11Å
714P88.8Confident86.9Confident0 Ų016.7 Ų16.70%08%0.082CC..Hα-helixtrans-65.7-23.3-175.227.8-35.9000113.1L680 S718 I739 F740 L743L680-P714 HydrophobicContact CD2-CG 3.68Å; P714-S718 VanDerWaalsContact O-CB 3.32Å; P714-S718 WeakPolarHBondContact O-CB 3.26Å; P714-S718 PolarHBondContact O-N 3.3Å; P714-S718 PolarHBondContact O-OG 2.99Å; P714-I739 HydrophobicContact CB-CG2 4.14Å; P714-I739 HydrophobicContact CG-CB 4.49Å; P714-I739 HydrophobicContact CG-CG2 3.68Å; P714-F740 HydrophobicContact CB-CD1 3.75Å; P714-F740 HydrophobicContact CB-CD2 4.28Å; P714-F740 HydrophobicContact CB-CE1 3.44Å; P714-F740 VanDerWaalsContact CB-CE1 3.44Å; P714-F740 HydrophobicContact CB-CE2 4Å; P714-F740 HydrophobicContact CB-CG 4.17Å; P714-F740 HydrophobicContact CB-CZ 3.58Å; P714-L743 HydrophobicContact CB-CD1 3.82Å; P714-L743 HydrophobicContact CG-CD1 4.38Å
715F91.2Very high88.1Confident0 Ų09.4 Ų9.40%06%0.057CC..Hα-helixtrans-71.6-31.5172.5-58-28.9000112.5F509 L514 F520 L680 L686 N713 L719 L743F509-F715 HydrophobicContact CD2-CE2 4.24Å; F509-F715 HydrophobicContact CE1-CE2 4.36Å; F509-F715 AromaticContact CE1-CZ 3.91Å; F509-F715 HydrophobicContact CE1-CZ 3.91Å; F509-F715 AromaticContact CE2-CE2 3.51Å; F509-F715 HydrophobicContact CE2-CE2 3.51Å; F509-F715 AromaticContact CE2-CZ 3.9Å; F509-F715 HydrophobicContact CE2-CZ 3.9Å; F509-F715 AromaticContact CZ-CE2 3.57Å; F509-F715 HydrophobicContact CZ-CE2 3.57Å; F509-F715 AromaticContact CZ-CZ 3.55Å; F509-F715 HydrophobicContact CZ-CZ 3.55Å; L514-F715 HydrophobicContact CD1-CD1 3.68Å; L514-F715 HydrophobicContact CD1-CD2 4.22Å; L514-F715 HydrophobicContact CD1-CE1 3.82Å; L514-F715 HydrophobicContact CD1-CE2 4.32Å; L514-F715 HydrophobicContact CD1-CG 3.91Å; L514-F715 HydrophobicContact CD1-CZ 4.14Å; L514-F715 HydrophobicContact CD2-CD2 4.32Å; L514-F715 HydrophobicContact CD2-CE2 4.32Å; F520-F715 HydrophobicContact CB-CE1 4.17Å; F520-F715 HydrophobicContact CB-CZ 4.32Å; F520-F715 HydrophobicContact CD1-CZ 4.43Å; F520-F715 AromaticContact CD2-CE1 3.95Å; F520-F715 HydrophobicContact CD2-CE1 3.95Å; F520-F715 AromaticContact CG-CE1 3.97Å; F520-F715 HydrophobicContact CG-CE1 3.97Å; F520-F715 HydrophobicContact CG-CZ 4.2Å; L680-F715 HydrophobicContact CB-CD2 4.44Å; L680-F715 HydrophobicContact CB-CE2 3.76Å; L680-F715 HydrophobicContact CB-CZ 4.34Å; L680-F715 HydrophobicContact CD2-CD1 4.4Å; L680-F715 HydrophobicContact CD2-CD2 3.83Å; L680-F715 HydrophobicContact CD2-CE1 4.16Å; L680-F715 HydrophobicContact CD2-CE2 3.57Å; L680-F715 HydrophobicContact CD2-CG 4.24Å; L680-F715 HydrophobicContact CD2-CZ 3.75Å; L680-F715 HydrophobicContact CG-CE2 4.21Å; L680-F715 HydrophobicContact CG-CZ 4.47Å; L680-F715 WeakPolarHBondContact O-CE2 3.41Å; L686-F715 HydrophobicContact CD1-CB 3.87Å; L686-F715 HydrophobicContact CD2-CB 3.92Å; L686-F715 HydrophobicContact CD2-CD2 4.26Å; L686-F715 HydrophobicContact CD2-CG 4.49Å; N713-F715 PolarHBondContact O-N 2.63Å; N713-F715 WeakPolarHBondContact OD1-CB 3.44Å; N713-F715 PolarHBondContact OD1-N 2.88Å; F715-L719 WeakPolarHBondContact O-CB 3.11Å; F715-L719 PolarHBondContact O-N 2.72Å; F715-L743 HydrophobicContact CD1-CD1 3.61Å; F715-L743 HydrophobicContact CD1-CD2 3.74Å; F715-L743 HydrophobicContact CD1-CG 4.27Å; F715-L743 HydrophobicContact CE1-CD1 3.88Å; F715-L743 HydrophobicContact CE1-CD2 3.91Å; F715-L743 HydrophobicContact CE1-CG 4.32Å
716I92.2Very high88.7Confident1 Ų19.7 Ų9.71%0.0056%0.058CC..Hα-helixtrans-69.1-44.6176-64178.9000110.3L685 L686 Y689 M693 T711 N713 L719 A720 L775L685-I716 HydrophobicContact CD2-CD1 4.29Å; L685-I716 HydrophobicContact CG-CD1 4.31Å; L686-I716 HydrophobicContact CD1-CG1 3.78Å; Y689-I716 HydrophobicContact CD1-CD1 4.02Å; Y689-I716 HydrophobicContact CD1-CG2 3.84Å; Y689-I716 HydrophobicContact CD2-CD1 4.06Å; Y689-I716 HydrophobicContact CE1-CD1 4.46Å; Y689-I716 HydrophobicContact CG-CD1 3.79Å; Y689-I716 HydrophobicContact CG-CG2 4.29Å; M693-I716 HydrophobicContact CE-CG2 4.17Å; T711-I716 HydrophobicContact CG2-CD1 4.4Å; T711-I716 HydrophobicContact CG2-CG2 4.15Å; N713-I716 HydrophobicContact CB-CB 4.18Å; N713-I716 HydrophobicContact CB-CD1 3.76Å; N713-I716 HydrophobicContact CB-CG1 3.84Å; N713-I716 PolarHBondContact O-N 2.94Å; N713-I716 PolarHBondContact OD1-N 2.99Å; I716-L719 PolarHBondContact O-N 2.93Å; I716-A720 PolarHBondContact O-N 2.77Å; I716-L775 HydrophobicContact CG2-CD1 3.95Å
717A89.8Confident88.7Confident0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-59.9-47.2173.600000112.4D709 N713 L719 A720 V721 V728 F740D709-A717 HydrophobicContact CB-CB 4.44Å; N713-A717 PolarHBondContact O-N 3.11Å; A717-L719 VanDerWaalsContact C-N 3.33Å; A717-L719 PolarHBondContact O-N 2.87Å; A717-A720 WeakPolarHBondContact O-CB 3.31Å; A717-A720 PolarHBondContact O-N 3Å; A717-A720 VanDerWaalsContact O-N 3.12Å; A717-V721 PolarHBondContact O-N 3.17Å; A717-V728 HydrophobicContact CB-CG1 3.96Å; A717-F740 HydrophobicContact CB-CE1 3.98Å
718S88.7Confident88.6Confident0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-63.7-38178.5-56.30000112.4M518 P714 V721 K722 L743 I756M518-S718 VanDerWaalsContact CE-CB 3.43Å; P714-S718 VanDerWaalsContact O-CB 3.32Å; P714-S718 WeakPolarHBondContact O-CB 3.26Å; P714-S718 PolarHBondContact O-N 3.3Å; P714-S718 PolarHBondContact O-OG 2.99Å; S718-V721 WeakPolarHBondContact O-CB 3.42Å; S718-V721 PolarHBondContact O-N 3.16Å; S718-K722 PolarHBondContact O-N 3.12Å; S718-L743 WeakPolarHBondContact OG-CB 3.03Å; S718-L743 WeakPolarHBondContact OG-CD1 3.41Å; S718-I756 VanDerWaalsContact OG-CD1 3.29Å; S718-I756 WeakPolarHBondContact OG-CD1 3.33Å
719L89.9Confident88.5Confident1 Ų114.6 Ų14.61%0.0058%0.079CC..Hα-helixtrans-67.1-35.3173.5177.965000111.9C516 M518 L686 R690 M693 F715 I716 A717 K722 L723C516-L719 HydrophobicContact CB-CD1 3.82Å; M518-L719 HydrophobicContact SD-CB 4.22Å; M518-L719 HydrophobicContact SD-CD1 4.29Å; L686-L719 HydrophobicContact CD1-CD2 3.81Å; L686-L719 HydrophobicContact CG-CD2 4.49Å; R690-L719 HydrophobicContact CB-CD2 3.7Å; R690-L719 HydrophobicContact CG-CD1 4.43Å; R690-L719 HydrophobicContact CG-CD2 4.13Å; M693-L719 HydrophobicContact CE-CB 4.25Å; M693-L719 HydrophobicContact CE-CD2 3.72Å; M693-L719 HydrophobicContact CE-CG 3.82Å; F715-L719 WeakPolarHBondContact O-CB 3.11Å; F715-L719 PolarHBondContact O-N 2.72Å; I716-L719 PolarHBondContact O-N 2.93Å; A717-L719 VanDerWaalsContact C-N 3.33Å; A717-L719 PolarHBondContact O-N 2.87Å; L719-K722 PolarHBondContact O-N 2.68Å; L719-L723 HydrophobicContact CD1-CD1 4.09Å; L719-L723 HydrophobicContact CD1-CG 4.04Å; L719-L723 HydrophobicContact CG-CD1 3.93Å; L719-L723 HydrophobicContact CG-CG 4.3Å; L719-L723 VanDerWaalsContact O-CB 3.27Å; L719-L723 WeakPolarHBondContact O-CB 3.41Å; L719-L723 VanDerWaalsContact O-CG 3.27Å; L719-L723 WeakPolarHBondContact O-CG 3.31Å; L719-L723 PolarHBondContact O-N 3.15Å
720A90.3Very high88.3Confident0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-63.8-4317300000111.5M693 I707 I716 A717 K722 L723 F724 V728 L775M693-A720 HydrophobicContact CE-CB 4.47Å; M693-A720 HydrophobicContact SD-CB 3.59Å; M693-A720 VanDerWaalsContact SD-CB 3.59Å; I707-A720 HydrophobicContact CD1-CB 4.12Å; I716-A720 PolarHBondContact O-N 2.77Å; A717-A720 WeakPolarHBondContact O-CB 3.31Å; A717-A720 PolarHBondContact O-N 3Å; A717-A720 VanDerWaalsContact O-N 3.12Å; A720-K722 PolarHBondContact O-N 2.73Å; A720-L723 PolarHBondContact O-N 3.25Å; A720-F724 WeakPolarHBondContact O-CD2 3.48Å; A720-F724 PolarHBondContact O-N 3.29Å; A720-V728 HydrophobicContact CB-CG1 4.49Å; A720-V728 HydrophobicContact CB-CG2 3.82Å; A720-L775 HydrophobicContact CB-CD1 3.92Å
721V87.8Confident87.8Confident4 Ų416.3 Ų16.32%0.0249%0.087CC..Hα-helixtrans-56.4-51.6171.3173.30000110.5A717 S718 L723 G725 V728 G754 I756A717-V721 PolarHBondContact O-N 3.17Å; S718-V721 WeakPolarHBondContact O-CB 3.42Å; S718-V721 PolarHBondContact O-N 3.16Å; V721-L723 VanDerWaalsContact C-N 3.34Å; V721-L723 PolarHBondContact O-N 3.07Å; V721-G725 WeakPolarHBondContact O-CA 3.46Å; V721-G725 PolarHBondContact O-N 3.04Å; V721-V728 HydrophobicContact CB-CG2 4.38Å; V721-V728 HydrophobicContact CG2-CB 3.85Å; V721-V728 HydrophobicContact CG2-CG2 3.45Å; V721-V728 VanDerWaalsContact CG2-CG2 3.45Å; V721-G754 WeakPolarHBondContact CG1-O 3.1Å; V721-I756 HydrophobicContact CG2-CG1 3.72Å
722K86.1Confident86.6Confident49 Ų4917.5 Ų17.521%0.21310%0.095CC..Hα-helixtrans-66-32.9-177.6-157.272.1175.3-1750113.2C516 M518 S718 L719 A720 C747 D749C516-K722 HydrophobicContact CB-CG 4.48Å; M518-K722 HydrophobicContact CG-CB 4.33Å; M518-K722 HydrophobicContact CG-CD 4.41Å; M518-K722 HydrophobicContact CG-CG 4.13Å; M518-K722 HydrophobicContact SD-CB 3.88Å; M518-K722 HydrophobicContact SD-CG 4.3Å; S718-K722 PolarHBondContact O-N 3.12Å; L719-K722 PolarHBondContact O-N 2.68Å; A720-K722 PolarHBondContact O-N 2.73Å; K722-C747 PolarHBondContact NZ-O 2.91Å; K722-D749 IonicContact NZ-OD2 3.81Å; K722-D749 PolarHBondContact NZ-OD2 3.41Å
723L87.9Confident85.7Confident13 Ų1320.3 Ų20.37%0.06811%0.106CC..Hα-helixtrans-76.7-45.3178.1-77.2175.5000112.7R690 M693 Q694 K697 L719 A720 V721R690-L723 HydrophobicContact CG-CD1 4.44Å; M693-L723 HydrophobicContact CB-CD1 3.57Å; M693-L723 HydrophobicContact CE-CD1 4.07Å; M693-L723 HydrophobicContact SD-CD1 4.33Å; Q694-L723 HydrophobicContact CG-CD1 4.17Å; Q694-L723 HydrophobicContact CG-CD2 3.67Å; K697-L723 WeakPolarHBondContact CD-O 3.33Å; K697-L723 VanDerWaalsContact CE-O 3.26Å; K697-L723 WeakPolarHBondContact CE-O 3.47Å; K697-L723 PolarHBondContact NZ-O 3.02Å; L719-L723 HydrophobicContact CD1-CD1 4.09Å; L719-L723 HydrophobicContact CD1-CG 4.04Å; L719-L723 HydrophobicContact CG-CD1 3.93Å; L719-L723 HydrophobicContact CG-CG 4.3Å; L719-L723 VanDerWaalsContact O-CB 3.27Å; L719-L723 WeakPolarHBondContact O-CB 3.41Å; L719-L723 VanDerWaalsContact O-CG 3.27Å; L719-L723 WeakPolarHBondContact O-CG 3.31Å; L719-L723 PolarHBondContact O-N 3.15Å; A720-L723 PolarHBondContact O-N 3.25Å; V721-L723 VanDerWaalsContact C-N 3.34Å; V721-L723 PolarHBondContact O-N 3.07Å
724F87.1Confident84.2Confident29 Ų2929 Ų2913%0.12714%0.144CC..Hα-helixtrans-101.4-25.5-169.9-67.3-78000114.5M693 K697 L702 I707 A720 V726 L773M693-F724 HydrophobicContact CB-CE2 3.8Å; M693-F724 HydrophobicContact CB-CZ 4.1Å; M693-F724 HydrophobicContact CG-CE2 3.98Å; M693-F724 VanDerWaalsContact O-CZ 3.3Å; M693-F724 WeakPolarHBondContact O-CZ 3.25Å; M693-F724 HydrophobicContact SD-CE2 4.06Å; K697-F724 HydrophobicContact CB-CD1 4.12Å; K697-F724 HydrophobicContact CB-CE1 3.51Å; K697-F724 HydrophobicContact CB-CZ 4.14Å; K697-F724 HydrophobicContact CD-CD1 4.47Å; K697-F724 HydrophobicContact CG-CD1 4.12Å; K697-F724 HydrophobicContact CG-CE1 4.01Å; L702-F724 HydrophobicContact CB-CD1 4.11Å; L702-F724 HydrophobicContact CB-CE1 4.27Å; L702-F724 HydrophobicContact CD1-CD1 3.43Å; L702-F724 VanDerWaalsContact CD1-CD1 3.43Å; L702-F724 HydrophobicContact CD1-CD2 4.22Å; L702-F724 HydrophobicContact CD1-CE1 3.4Å; L702-F724 VanDerWaalsContact CD1-CE1 3.4Å; L702-F724 HydrophobicContact CD1-CE2 4.19Å; L702-F724 HydrophobicContact CD1-CG 3.85Å; L702-F724 HydrophobicContact CD1-CZ 3.81Å; L702-F724 HydrophobicContact CG-CD1 4.39Å; L702-F724 HydrophobicContact CG-CE1 4.44Å; I707-F724 HydrophobicContact CD1-CB 4.04Å; I707-F724 HydrophobicContact CD1-CD2 3.4Å; I707-F724 VanDerWaalsContact CD1-CD2 3.4Å; I707-F724 HydrophobicContact CD1-CE2 3.99Å; I707-F724 HydrophobicContact CD1-CG 3.87Å; A720-F724 WeakPolarHBondContact O-CD2 3.48Å; A720-F724 PolarHBondContact O-N 3.29Å; F724-V726 HydrophobicContact CB-CG2 3.83Å; F724-L773 HydrophobicContact CE2-CD2 4.04Å; F724-L773 HydrophobicContact CZ-CD2 4.03Å
725G85Confident82.9Confident33 Ų3333.4 Ų33.434%0.3417%0.165SC..  trans70.828.9-178.100000114V721V721-G725 WeakPolarHBondContact O-CA 3.46Å; V721-G725 PolarHBondContact O-N 3.04Å
726V85.4Confident81.6Confident24 Ų2433.9 Ų33.915%0.14517%0.168CC..SBendtrans-125.3167.9-179-58.30000110.6I707 F724 G754I707-V726 HydrophobicContact CD1-CG2 3.75Å; I707-V726 HydrophobicContact CG1-CG2 3.83Å; F724-V726 HydrophobicContact CB-CG2 3.83Å; V726-G754 VanDerWaalsContact C-CA 3.46Å; V726-G754 VanDerWaalsContact O-CA 3.22Å; V726-G754 WeakPolarHBondContact O-CA 3.32Å
727E87.4Confident80.6Confident91 Ų9136.3 Ų36.343%0.42518%0.18SC..  trans-64.7137172.9-66.2178.2168.600112A706 I707 A755A706-E727 WeakPolarHBondContact CA-O 3.38Å; A706-E727 HydrophobicContact CB-CB 4.34Å; I707-E727 PolarHBondContact N-O 2.79Å; E727-A755 WeakPolarHBondContact CA-O 3.46Å
728V89.1Confident79.9Confident0 Ų041.5 Ų41.50%021%0.205CC..EExtended strand (participates in β ladder)trans-119.5111.7175.2-179.70000108.4I707 D709 A717 A720 V721 A755 I756 V757I707-V728 HydrophobicContact CB-CG2 4.18Å; I707-V728 HydrophobicContact CD1-CG2 4.23Å; I707-V728 WeakPolarHBondContact O-CA 3.41Å; D709-V728 HydrophobicContact CB-CG1 4.05Å; A717-V728 HydrophobicContact CB-CG1 3.96Å; A720-V728 HydrophobicContact CB-CG1 4.49Å; A720-V728 HydrophobicContact CB-CG2 3.82Å; V721-V728 HydrophobicContact CB-CG2 4.38Å; V721-V728 HydrophobicContact CG2-CB 3.85Å; V721-V728 HydrophobicContact CG2-CG2 3.45Å; V721-V728 VanDerWaalsContact CG2-CG2 3.45Å; V728-A755 PolarHBondContact N-O 3.36Å; V728-I756 CarbonylContact O-C 3.59Å; V728-I756 WeakPolarHBondContact O-CA 3.36Å; V728-V757 PolarHBondContact O-N 3.39Å
729W89.1Confident79.6Confident21 Ų2141.7 Ų41.78%0.0821%0.205CC..EExtended strand (participates in β ladder)trans-87.1108.5176.2-70.771.4000108.1I707 L708 D709 V757 F759 V765 V768 A769I707-W729 PolarHBondContact O-N 2.86Å; L708-W729 CarbonylContact C-O 3.55Å; L708-W729 WeakPolarHBondContact CA-O 3.37Å; L708-W729 HydrophobicContact CD1-CB 4.09Å; D709-W729 PolarHBondContact N-O 3.38Å; W729-V757 CarbonylContact C-O 3.58Å; W729-V757 VanDerWaalsContact CA-O 3.3Å; W729-V757 WeakPolarHBondContact CA-O 3.48Å; W729-V757 HydrophobicContact CD2-CB 3.84Å; W729-V757 HydrophobicContact CD2-CG1 3.95Å; W729-V757 HydrophobicContact CD2-CG2 4.45Å; W729-V757 HydrophobicContact CE3-CB 4.01Å; W729-V757 HydrophobicContact CE3-CG1 3.64Å; W729-V757 HydrophobicContact CG-CB 4.23Å; W729-V757 HydrophobicContact CH2-CG1 3.76Å; W729-V757 HydrophobicContact CZ2-CB 4.36Å; W729-V757 HydrophobicContact CZ2-CG1 4.01Å; W729-V757 HydrophobicContact CZ2-CG2 4.36Å; W729-V757 HydrophobicContact CZ3-CB 4.38Å; W729-V757 HydrophobicContact CZ3-CG1 3.56Å; W729-F759 HydrophobicContact CB-CD1 4.03Å; W729-F759 HydrophobicContact CB-CE1 4.26Å; W729-F759 HydrophobicContact CE3-CB 4.19Å; W729-F759 HydrophobicContact CE3-CD1 4.4Å; W729-F759 WeakPolarHBondContact O-CE1 3.36Å; W729-V765 HydrophobicContact CB-CG1 4.29Å; W729-V765 HydrophobicContact CB-CG2 4.41Å; W729-V765 HydrophobicContact CD2-CG1 4.02Å; W729-V765 HydrophobicContact CD2-CG2 4.31Å; W729-V765 HydrophobicContact CE3-CB 4.31Å; W729-V765 HydrophobicContact CE3-CG1 4.21Å; W729-V765 HydrophobicContact CE3-CG2 3.76Å; W729-V765 HydrophobicContact CG-CG1 4.06Å; W729-V765 HydrophobicContact CZ3-CG2 4.41Å; W729-V768 HydrophobicContact CH2-CB 3.72Å; W729-V768 HydrophobicContact CH2-CG1 3.75Å; W729-V768 HydrophobicContact CH2-CG2 4.09Å; W729-V768 HydrophobicContact CZ2-CB 3.86Å; W729-V768 HydrophobicContact CZ2-CG1 3.6Å; W729-A769 HydrophobicContact CZ2-CB 4Å
730S87.1Confident79.1Confident2 Ų242 Ų421%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-113140.8-177.7-173.90000110.9D709 S732 F740 V757 L758 F759D709-S730 WeakPolarHBondContact OD2-CB 3.36Å; D709-S730 PolarHBondContact OD2-OG 2.91Å; S730-S732 PolarHBondContact O-N 2.83Å; S730-F740 WeakPolarHBondContact OG-CZ 3.37Å; S730-V757 PolarHBondContact N-O 3.15Å; S730-L758 WeakPolarHBondContact O-CA 3.5Å; S730-F759 VanDerWaalsContact O-CD1 3.27Å; S730-F759 WeakPolarHBondContact O-CD1 3.37Å; S730-F759 PolarHBondContact O-N 3.15Å
731Q78.6Confident78.4Confident42 Ų4248.2 Ų48.220%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-69.3123.6-175.8-168.2168.124.500111D709 L710 K733 F759 E760D709-Q731 PolarHBondContact O-N 2.88Å; L710-Q731 HydrophobicContact CD2-CB 4.29Å; Q731-K733 PolarHBondContact O-N 3.25Å; Q731-F759 HydrophobicContact CB-CE1 4.17Å; Q731-F759 HydrophobicContact CB-CE2 4.01Å; Q731-F759 HydrophobicContact CB-CZ 3.66Å; Q731-F759 HydrophobicContact CG-CE2 3.95Å; Q731-F759 HydrophobicContact CG-CZ 4.14Å; Q731-F759 VanDerWaalsContact N-CE1 3.35Å; Q731-E760 PolarHBondContact NE2-O 2.81Å
732S64.2Low77.9Confident28 Ų2850.1 Ų50.120%0.19624%0.244CC..  trans-63.4126178.3-168.90000110.9S730 F759S730-S732 PolarHBondContact O-N 2.83Å; S732-F759 WeakPolarHBondContact CB-O 3.07Å; S732-F759 PolarHBondContact N-O 2.91Å
733K64.5Low77.4Confident89 Ų8947.8 Ų47.839%0.38723%0.234SC..  trans-128.6131.4162.3-77.2177.9171.6169.40106.9D712 Q731 Q735 C736D712-K733 WeakPolarHBondContact OD1-CE 3.35Å; D712-K733 IonicContact OD1-NZ 3.63Å; D712-K733 PolarHBondContact OD1-NZ 2.96Å; D712-K733 IonicContact OD2-NZ 3.13Å; D712-K733 PolarHBondContact OD2-NZ 2.8Å; D712-K733 VanDerWaalsContact OD2-NZ 3.07Å; Q731-K733 PolarHBondContact O-N 3.25Å; K733-Q735 PolarHBondContact O-N 3.33Å; K733-C736 WeakPolarHBondContact O-CB 3.34Å; K733-C736 PolarHBondContact O-N 2.62Å
734F57.8Low76.5Confident182 Ų18249.7 Ų49.780%0.79825%0.248SC*.G310 helixtrans-49.2-41.1-173.2-168.7-95.5000113.2C736 I737F734-C736 PolarHBondContact O-N 2.68Å; F734-I737 HydrophobicContact CD2-CD1 4.44Å; F734-I737 PolarHBondContact O-N 2.93Å
735Q61.5Low75.5Confident93 Ų9352.4 Ų52.444%0.43527%0.271SS..G310 helixtrans-67.9-10.9179.3-61179.25.700115.1T673 L676 K733T673-Q735 PolarHBondContact OG1-OE1 2.84Å; L676-Q735 HydrophobicContact CD2-CB 4.14Å; K733-Q735 PolarHBondContact O-N 3.33Å
736C64.8Low74.2Confident9 Ų952.5 Ų52.56%0.06127%0.269CS..G310 helixtrans-103.1-12.1-177.9-61.20000113.6K733 F734 I739 F740K733-C736 WeakPolarHBondContact O-CB 3.34Å; K733-C736 PolarHBondContact O-N 2.62Å; F734-C736 PolarHBondContact O-N 2.68Å; C736-I739 WeakPolarHBondContact O-CB 3.47Å; C736-I739 PolarHBondContact O-N 3.18Å; C736-F740 HydrophobicContact CB-CD2 3.75Å; C736-F740 HydrophobicContact CB-CE2 3.65Å; C736-F740 WeakPolarHBondContact O-CD2 3.46Å; C736-F740 PolarHBondContact O-N 2.86Å
737I71.3Confident73Confident52 Ų5251.9 Ų51.927%0.26727%0.265SS..Hα-helixtrans-61.9-52.6-167.9-60.5174.8000111.4F734 I739 F740 E741 L758F734-I737 HydrophobicContact CD2-CD1 4.44Å; F734-I737 PolarHBondContact O-N 2.93Å; I737-I739 PolarHBondContact O-N 2.87Å; I737-F740 WeakPolarHBondContact O-CB 3.43Å; I737-F740 PolarHBondContact O-N 2.91Å; I737-E741 PolarHBondContact O-N 3.39Å; I737-L758 HydrophobicContact CG1-CD1 4.29Å
738E75.4Confident71.5Confident110 Ų11051.6 Ų51.651%0.51427%0.274SS..Hα-helixtrans-60.8-29.6178.9-57.2-173.7142.900112.8L670 Q742L670-E738 HydrophobicContact CD1-CB 4.05Å; L670-E738 HydrophobicContact CD2-CB 4.04Å; E738-Q742 WeakPolarHBondContact O-CG 3.47Å; E738-Q742 PolarHBondContact O-N 3.21Å
739I82.5Confident69.9Low3 Ų356.2 Ų56.22%0.01530%0.298CS..Hα-helixtrans-72.8-42.5176.4-60.1164.9000109.9F520 V524 L670 L676 L680 P714 C736 I737 Q742 L743F520-I739 HydrophobicContact CE2-CG2 4.04Å; F520-I739 HydrophobicContact CZ-CG2 4.08Å; V524-I739 HydrophobicContact CG1-CD1 4.31Å; L670-I739 HydrophobicContact CD1-CB 4.45Å; L670-I739 HydrophobicContact CD1-CG1 3.64Å; L676-I739 HydrophobicContact CD2-CD1 4.16Å; L680-I739 HydrophobicContact CD1-CD1 4.12Å; P714-I739 HydrophobicContact CB-CG2 4.14Å; P714-I739 HydrophobicContact CG-CB 4.49Å; P714-I739 HydrophobicContact CG-CG2 3.68Å; C736-I739 WeakPolarHBondContact O-CB 3.47Å; C736-I739 PolarHBondContact O-N 3.18Å; I737-I739 PolarHBondContact O-N 2.87Å; I739-Q742 PolarHBondContact O-N 2.75Å; I739-L743 HydrophobicContact CG2-CD1 3.75Å; I739-L743 WeakPolarHBondContact O-CB 3.48Å; I739-L743 WeakPolarHBondContact O-CD1 3.45Å; I739-L743 VanDerWaalsContact O-CG 3.32Å; I739-L743 WeakPolarHBondContact O-CG 3.27Å; I739-L743 PolarHBondContact O-N 3.04Å
740F77.8Confident68.1Low7 Ų765.1 Ų65.13%0.03134%0.341CS..Hα-helixtrans-65.2-39.6175.6-81.9-62.4000113.1P714 A717 S730 C736 I737 L743 S744 I756 L758P714-F740 HydrophobicContact CB-CD1 3.75Å; P714-F740 HydrophobicContact CB-CD2 4.28Å; P714-F740 HydrophobicContact CB-CE1 3.44Å; P714-F740 VanDerWaalsContact CB-CE1 3.44Å; P714-F740 HydrophobicContact CB-CE2 4Å; P714-F740 HydrophobicContact CB-CG 4.17Å; P714-F740 HydrophobicContact CB-CZ 3.58Å; A717-F740 HydrophobicContact CB-CE1 3.98Å; S730-F740 WeakPolarHBondContact OG-CZ 3.37Å; C736-F740 HydrophobicContact CB-CD2 3.75Å; C736-F740 HydrophobicContact CB-CE2 3.65Å; C736-F740 WeakPolarHBondContact O-CD2 3.46Å; C736-F740 PolarHBondContact O-N 2.86Å; I737-F740 WeakPolarHBondContact O-CB 3.43Å; I737-F740 PolarHBondContact O-N 2.91Å; F740-L743 PolarHBondContact O-N 2.61Å; F740-S744 WeakPolarHBondContact O-CB 3.45Å; F740-S744 PolarHBondContact O-N 3Å; F740-S744 PolarHBondContact O-OG 2.86Å; F740-I756 HydrophobicContact CD1-CD1 3.8Å; F740-I756 HydrophobicContact CD1-CG2 3.91Å; F740-I756 HydrophobicContact CE1-CD1 4.13Å; F740-I756 HydrophobicContact CE1-CG2 3.94Å; F740-L758 HydrophobicContact CB-CD1 4.31Å; F740-L758 HydrophobicContact CB-CD2 4.49Å; F740-L758 HydrophobicContact CD1-CD2 4.25Å; F740-L758 HydrophobicContact CD2-CD1 4.04Å; F740-L758 HydrophobicContact CD2-CD2 3.55Å; F740-L758 HydrophobicContact CD2-CG 4.44Å; F740-L758 HydrophobicContact CE1-CD2 4.31Å; F740-L758 HydrophobicContact CE2-CD2 3.63Å; F740-L758 HydrophobicContact CG-CD1 4.42Å; F740-L758 HydrophobicContact CG-CD2 3.89Å; F740-L758 HydrophobicContact CZ-CD2 4.01Å
741E76.3Confident66.4Low132 Ų13270.2 Ų70.262%0.61738%0.376SS*.Hα-helixtrans-59.9-47.6175-71.4-17816600111.2I737 S744 S745I737-E741 PolarHBondContact O-N 3.39Å; E741-S744 WeakPolarHBondContact O-CB 3.31Å; E741-S744 PolarHBondContact O-N 3.4Å; E741-S745 PolarHBondContact O-N 3.49Å
742Q76.8Confident65.3Low43 Ų4369.7 Ų69.720%0.20138%0.377CS..Hα-helixtrans-67-41.1178.6-69.5-177.117.100112.3F520 T522 E738 I739 S744 S745 A746F520-Q742 HydrophobicContact CE2-CB 3.92Å; F520-Q742 HydrophobicContact CZ-CB 4.42Å; T522-Q742 PolarHBondContact OG1-OE1 3.29Å; E738-Q742 WeakPolarHBondContact O-CG 3.47Å; E738-Q742 PolarHBondContact O-N 3.21Å; I739-Q742 PolarHBondContact O-N 2.75Å; Q742-S744 VanDerWaalsContact C-N 3.31Å; Q742-S744 PolarHBondContact O-N 2.91Å; Q742-S745 PolarHBondContact O-N 3.12Å; Q742-S745 PolarHBondContact O-OG 2.92Å; Q742-A746 PolarHBondContact O-N 3.43Å
743L76.7Confident65.2Low1 Ų177.8 Ų77.81%0.00541%0.409CS..Hα-helixtrans-62.7-38174.3-77.1161.3000112.4M518 F520 P714 F715 S718 I739 F740 S745 A746 C747M518-L743 HydrophobicContact CE-CD2 4.44Å; F520-L743 HydrophobicContact CD2-CD2 3.72Å; F520-L743 HydrophobicContact CD2-CG 3.81Å; F520-L743 HydrophobicContact CE2-CD2 4.36Å; F520-L743 HydrophobicContact CE2-CG 3.93Å; P714-L743 HydrophobicContact CB-CD1 3.82Å; P714-L743 HydrophobicContact CG-CD1 4.38Å; F715-L743 HydrophobicContact CD1-CD1 3.61Å; F715-L743 HydrophobicContact CD1-CD2 3.74Å; F715-L743 HydrophobicContact CD1-CG 4.27Å; F715-L743 HydrophobicContact CE1-CD1 3.88Å; F715-L743 HydrophobicContact CE1-CD2 3.91Å; F715-L743 HydrophobicContact CE1-CG 4.32Å; S718-L743 WeakPolarHBondContact OG-CB 3.03Å; S718-L743 WeakPolarHBondContact OG-CD1 3.41Å; I739-L743 HydrophobicContact CG2-CD1 3.75Å; I739-L743 WeakPolarHBondContact O-CB 3.48Å; I739-L743 WeakPolarHBondContact O-CD1 3.45Å; I739-L743 VanDerWaalsContact O-CG 3.32Å; I739-L743 WeakPolarHBondContact O-CG 3.27Å; I739-L743 PolarHBondContact O-N 3.04Å; F740-L743 PolarHBondContact O-N 2.61Å; L743-S745 VanDerWaalsContact C-N 3.27Å; L743-S745 PolarHBondContact O-N 3.35Å; L743-A746 CarbonylContact O-C 3.3Å; L743-A746 PolarHBondContact O-N 3.38Å; L743-C747 PolarHBondContact O-N 2.84Å; L743-C747 PolarHBondContact O-SG 2.94Å
744S69.1Low65.7Low52 Ų5274.2 Ų74.236%0.36440%0.398SS..Hα-helixtrans-59.1-40.6175.7-60.50000111.3F740 E741 Q742 A746 C747 S748F740-S744 WeakPolarHBondContact O-CB 3.45Å; F740-S744 PolarHBondContact O-N 3Å; F740-S744 PolarHBondContact O-OG 2.86Å; E741-S744 WeakPolarHBondContact O-CB 3.31Å; E741-S744 PolarHBondContact O-N 3.4Å; Q742-S744 VanDerWaalsContact C-N 3.31Å; Q742-S744 PolarHBondContact O-N 2.91Å; S744-A746 VanDerWaalsContact C-N 3.3Å; S744-A746 PolarHBondContact O-N 3.34Å; S744-C747 PolarHBondContact O-N 3.29Å; S744-S748 PolarHBondContact O-N 3.5Å; S744-S748 PolarHBondContact O-OG 2.85Å
745S64.9Low66.8Low86 Ų8668 Ų6860%0.60138%0.38SS*.Hα-helixtrans-69.2-21.6174.379.30000114.8E741 Q742 L743 S748E741-S745 PolarHBondContact O-N 3.49Å; Q742-S745 PolarHBondContact O-N 3.12Å; Q742-S745 PolarHBondContact O-OG 2.92Å; L743-S745 VanDerWaalsContact C-N 3.27Å; L743-S745 PolarHBondContact O-N 3.35Å; S745-S748 PolarHBondContact O-OG 3.4Å; S745-S748 VanDerWaalsContact O-OG 3.13Å
746A58.9Low68Low36 Ų3665 Ų6530%0.29837%0.366SS..Hα-helixtrans-93.2-20.4177.900000113.4R519 Q742 L743 S744R519-A746 WeakPolarHBondContact O-CB 3.47Å; Q742-A746 PolarHBondContact O-N 3.43Å; L743-A746 CarbonylContact O-C 3.3Å; L743-A746 PolarHBondContact O-N 3.38Å; S744-A746 VanDerWaalsContact C-N 3.3Å; S744-A746 PolarHBondContact O-N 3.34Å
747C59.2Low68.9Low10 Ų1066.4 Ų66.47%0.06838%0.375CS..Hα-helixtrans-83.5-22.7176.3-77.20000113.2K722 L743 S744 D749 S752K722-C747 PolarHBondContact NZ-O 2.91Å; L743-C747 PolarHBondContact O-N 2.84Å; L743-C747 PolarHBondContact O-SG 2.94Å; S744-C747 PolarHBondContact O-N 3.29Å; C747-D749 VanDerWaalsContact C-N 3.25Å; C747-D749 PolarHBondContact O-N 2.65Å; C747-S752 PolarHBondContact O-OG 2.91Å
748S55.2Low69.5Low86 Ų8666.9 Ų66.960%0.60138%0.377SS*.  trans-7552.5-171.653.60000115.9S744 S745S744-S748 PolarHBondContact O-N 3.5Å; S744-S748 PolarHBondContact O-OG 2.85Å; S745-S748 PolarHBondContact O-OG 3.4Å; S745-S748 VanDerWaalsContact O-OG 3.13Å
749D56.4Low69.7Low96 Ų9661.8 Ų61.851%0.51335%0.354SS..  trans-64.9135153.4-79.4-47.9000108.7K722 C747 S751 S752K722-D749 IonicContact NZ-OD2 3.81Å; K722-D749 PolarHBondContact NZ-OD2 3.41Å; C747-D749 VanDerWaalsContact C-N 3.25Å; C747-D749 PolarHBondContact O-N 2.65Å; D749-S751 PolarHBondContact O-N 2.79Å; D749-S752 VanDerWaalsContact O-CB 3.29Å; D749-S752 WeakPolarHBondContact O-CB 3.49Å; D749-S752 PolarHBondContact O-N 3.38Å; D749-S752 PolarHBondContact O-OG 2.96Å; D749-S752 VanDerWaalsContact O-OG 3.12Å
750E50.9Low69.1Low209 Ų20968.7 Ų68.798%0.97739%0.386SS*.THydrogen-bonded Turntrans-55.2-16.7-175.6-63-171.7141.300115.4S752E750-S752 VanDerWaalsContact C-N 3.32Å
751S51.4Low68.7Low109 Ų10970.6 Ų70.676%0.76240%0.396SS*.THydrogen-bonded Turntrans-78.6-11.6174.758.90000114.3D749D749-S751 PolarHBondContact O-N 2.79Å
752S55.5Low68.4Low31 Ų3164.6 Ų64.622%0.21737%0.369CS..  trans-98101.3-170-46.40000111C747 D749 E750 G754C747-S752 PolarHBondContact O-OG 2.91Å; D749-S752 VanDerWaalsContact O-CB 3.29Å; D749-S752 WeakPolarHBondContact O-CB 3.49Å; D749-S752 PolarHBondContact O-N 3.38Å; D749-S752 PolarHBondContact O-OG 2.96Å; D749-S752 VanDerWaalsContact O-OG 3.12Å; E750-S752 VanDerWaalsContact C-N 3.32Å; S752-G754 VanDerWaalsContact C-N 3.34Å
753K62.8Low68Low198 Ų19863.8 Ų63.886%0.86137%0.365SS*.  trans-82.4-3.3179.9-73.4-163.1174.4-168.50115.7
754G73.8Confident67.6Low14 Ų1467.5 Ų67.514%0.14438%0.382CS..  trans-89.2146.6179.100000112.3V721 V726 S752V721-G754 WeakPolarHBondContact CG1-O 3.1Å; V726-G754 VanDerWaalsContact C-CA 3.46Å; V726-G754 VanDerWaalsContact O-CA 3.22Å; V726-G754 WeakPolarHBondContact O-CA 3.32Å; S752-G754 VanDerWaalsContact C-N 3.34Å
755A82.5Confident67.9Low52 Ų5265 Ų6543%0.4337%0.365SS..  trans-125.8161.6172.800000110.4E727 V728E727-A755 WeakPolarHBondContact CA-O 3.46Å; V728-A755 PolarHBondContact N-O 3.36Å
756I84.9Confident68.1Low28 Ų2863.7 Ų63.714%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-92.2130.8167.2-54.6176.8000107.6S718 V721 V728 F740 L758S718-I756 VanDerWaalsContact OG-CD1 3.29Å; S718-I756 WeakPolarHBondContact OG-CD1 3.33Å; V721-I756 HydrophobicContact CG2-CG1 3.72Å; V728-I756 CarbonylContact O-C 3.59Å; V728-I756 WeakPolarHBondContact O-CA 3.36Å; F740-I756 HydrophobicContact CD1-CD1 3.8Å; F740-I756 HydrophobicContact CD1-CG2 3.91Å; F740-I756 HydrophobicContact CE1-CD1 4.13Å; F740-I756 HydrophobicContact CE1-CG2 3.94Å; I756-L758 HydrophobicContact CG2-CD2 4.05Å
757V85Confident68.2Low40 Ų4069.1 Ų69.124%0.24237%0.366CS..EExtended strand (participates in β ladder)trans-114.9123173.4-172.80000107.8V728 W729 S730V728-V757 PolarHBondContact O-N 3.39Å; W729-V757 CarbonylContact C-O 3.58Å; W729-V757 VanDerWaalsContact CA-O 3.3Å; W729-V757 WeakPolarHBondContact CA-O 3.48Å; W729-V757 HydrophobicContact CD2-CB 3.84Å; W729-V757 HydrophobicContact CD2-CG1 3.95Å; W729-V757 HydrophobicContact CD2-CG2 4.45Å; W729-V757 HydrophobicContact CE3-CB 4.01Å; W729-V757 HydrophobicContact CE3-CG1 3.64Å; W729-V757 HydrophobicContact CG-CB 4.23Å; W729-V757 HydrophobicContact CH2-CG1 3.76Å; W729-V757 HydrophobicContact CZ2-CB 4.36Å; W729-V757 HydrophobicContact CZ2-CG1 4.01Å; W729-V757 HydrophobicContact CZ2-CG2 4.36Å; W729-V757 HydrophobicContact CZ3-CB 4.38Å; W729-V757 HydrophobicContact CZ3-CG1 3.56Å; S730-V757 PolarHBondContact N-O 3.15Å
758L83.8Confident68.6Low61 Ų6173.4 Ų73.432%0.31939%0.391SS..EExtended strand (participates in β ladder)trans-87.7135.7175.2-57.5-175.4000109.5S730 I737 F740 I756S730-L758 WeakPolarHBondContact O-CA 3.5Å; I737-L758 HydrophobicContact CG1-CD1 4.29Å; F740-L758 HydrophobicContact CB-CD1 4.31Å; F740-L758 HydrophobicContact CB-CD2 4.49Å; F740-L758 HydrophobicContact CD1-CD2 4.25Å; F740-L758 HydrophobicContact CD2-CD1 4.04Å; F740-L758 HydrophobicContact CD2-CD2 3.55Å; F740-L758 HydrophobicContact CD2-CG 4.44Å; F740-L758 HydrophobicContact CE1-CD2 4.31Å; F740-L758 HydrophobicContact CE2-CD2 3.63Å; F740-L758 HydrophobicContact CG-CD1 4.42Å; F740-L758 HydrophobicContact CG-CD2 3.89Å; F740-L758 HydrophobicContact CZ-CD2 4.01Å; I756-L758 HydrophobicContact CG2-CD2 4.05Å
759F79.8Confident69.1Low4 Ų469.7 Ų69.72%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-133148.4176.872.4-91.1000110L708 L710 W729 S730 Q731 S732 N761 V762 V765L708-F759 HydrophobicContact CD1-CD1 4.4Å; L708-F759 HydrophobicContact CD1-CE1 3.51Å; L708-F759 HydrophobicContact CD1-CZ 3.67Å; L710-F759 HydrophobicContact CD2-CZ 3.98Å; W729-F759 HydrophobicContact CB-CD1 4.03Å; W729-F759 HydrophobicContact CB-CE1 4.26Å; W729-F759 HydrophobicContact CE3-CB 4.19Å; W729-F759 HydrophobicContact CE3-CD1 4.4Å; W729-F759 WeakPolarHBondContact O-CE1 3.36Å; S730-F759 VanDerWaalsContact O-CD1 3.27Å; S730-F759 WeakPolarHBondContact O-CD1 3.37Å; S730-F759 PolarHBondContact O-N 3.15Å; Q731-F759 HydrophobicContact CB-CE1 4.17Å; Q731-F759 HydrophobicContact CB-CE2 4.01Å; Q731-F759 HydrophobicContact CB-CZ 3.66Å; Q731-F759 HydrophobicContact CG-CE2 3.95Å; Q731-F759 HydrophobicContact CG-CZ 4.14Å; Q731-F759 VanDerWaalsContact N-CE1 3.35Å; S732-F759 WeakPolarHBondContact CB-O 3.07Å; S732-F759 PolarHBondContact N-O 2.91Å; F759-N761 VanDerWaalsContact CD2-C 3.42Å; F759-N761 WeakPolarHBondContact CD2-O 3.28Å; F759-V762 HydrophobicContact CE2-CG2 3.83Å; F759-V762 HydrophobicContact CZ-CG2 4.31Å; F759-V765 HydrophobicContact CB-CG2 4.27Å; F759-V765 HydrophobicContact CD1-CG2 3.91Å; F759-V765 HydrophobicContact CD2-CG2 4.05Å; F759-V765 HydrophobicContact CE1-CG2 4.27Å; F759-V765 HydrophobicContact CE2-CG2 4.42Å; F759-V765 HydrophobicContact CG-CG2 3.79Å
760E69.7Low69.9Low148 Ų14869.6 Ų69.669%0.69237%0.371SS*.SBendtrans-89.8-39.5174.7-63.8-169.2170.200110.6Q731 E764Q731-E760 PolarHBondContact NE2-O 2.81Å; E760-E764 PolarHBondContact N-OE2 3.47Å
761N68.6Low71.5Confident47 Ų4759.6 Ų59.625%0.25132%0.324SS..  trans-127.9137.3-177.7-174-11.4000112.9K277 F759 E763 E764K277-N761 WeakPolarHBondContact CE-ND2 3.28Å; F759-N761 VanDerWaalsContact CD2-C 3.42Å; F759-N761 WeakPolarHBondContact CD2-O 3.28Å; N761-E763 PolarHBondContact ND2-OE1 3.07Å; N761-E763 PolarHBondContact O-N 3.05Å; N761-E763 VanDerWaalsContact O-N 3.09Å; N761-E763 PolarHBondContact OD1-N 3.29Å; N761-E763 PolarHBondContact OD1-OE1 3.23Å; N761-E764 HydrophobicContact CB-CG 4.45Å; N761-E764 PolarHBondContact N-OE2 3.24Å; N761-E764 VanDerWaalsContact O-CB 3.25Å; N761-E764 WeakPolarHBondContact O-CB 3.3Å; N761-E764 WeakPolarHBondContact O-CG 3.35Å; N761-E764 PolarHBondContact O-N 2.78Å
762V70.4Confident73.2Confident6 Ų655.8 Ų55.84%0.03630%0.296CS..Hα-helixtrans-57-24.8176.6-178.60000112.8F759 E764 V765 E766 Y795 L800F759-V762 HydrophobicContact CE2-CG2 3.83Å; F759-V762 HydrophobicContact CZ-CG2 4.31Å; V762-E764 PolarHBondContact O-N 3.35Å; V762-V765 PolarHBondContact O-N 3.22Å; V762-V765 VanDerWaalsContact O-N 3.17Å; V762-E766 PolarHBondContact O-N 2.92Å; V762-Y795 HydrophobicContact CB-CD1 4.35Å; V762-Y795 HydrophobicContact CB-CE1 4.11Å; V762-Y795 HydrophobicContact CG1-CD1 4.11Å; V762-Y795 HydrophobicContact CG1-CE1 3.97Å; V762-L800 HydrophobicContact CG1-CD1 4.19Å
763E67.4Low74.8Confident25 Ų2554.3 Ų54.312%0.11729%0.286CS..Hα-helixtrans-60.3-16.1170.8-71.4169.2-120.300114.7G240 K277 N761 K767G240-E763 VanDerWaalsContact O-CD 3.24Å; K277-E763 VanDerWaalsContact CE-OE1 3.31Å; K277-E763 WeakPolarHBondContact CE-OE1 3.31Å; K277-E763 IonicContact NZ-OE1 2.84Å; K277-E763 PolarHBondContact NZ-OE1 2.68Å; K277-E763 IonicContact NZ-OE2 3.57Å; K277-E763 PolarHBondContact NZ-OE2 3.18Å; N761-E763 PolarHBondContact ND2-OE1 3.07Å; N761-E763 PolarHBondContact O-N 3.05Å; N761-E763 VanDerWaalsContact O-N 3.09Å; N761-E763 PolarHBondContact OD1-N 3.29Å; N761-E763 PolarHBondContact OD1-OE1 3.23Å; E763-K767 WeakPolarHBondContact O-CE 3.31Å; E763-K767 PolarHBondContact O-NZ 2.93Å; E763-K767 VanDerWaalsContact O-NZ 3.1Å
764E69.8Low76.2Confident80 Ų8044.9 Ų44.937%0.37425%0.245SC..Hα-helixtrans-81-45.2174.6-56.9177.4122.600109.8E760 N761 V762 E766 K767E760-E764 PolarHBondContact N-OE2 3.47Å; N761-E764 HydrophobicContact CB-CG 4.45Å; N761-E764 PolarHBondContact N-OE2 3.24Å; N761-E764 VanDerWaalsContact O-CB 3.25Å; N761-E764 WeakPolarHBondContact O-CB 3.3Å; N761-E764 WeakPolarHBondContact O-CG 3.35Å; N761-E764 PolarHBondContact O-N 2.78Å; V762-E764 PolarHBondContact O-N 3.35Å; E764-E766 PolarHBondContact O-N 2.97Å; E764-K767 PolarHBondContact O-N 3.04Å
765V75.7Confident77.2Confident0 Ų044.2 Ų44.20%024%0.238CC..Hα-helixtrans-60.4-41.9177.9-164.20000111.7L708 W729 F759 V762 K767 V768 A769 L800L708-V765 HydrophobicContact CD1-CG1 4.29Å; L708-V765 HydrophobicContact CD1-CG2 3.99Å; W729-V765 HydrophobicContact CB-CG1 4.29Å; W729-V765 HydrophobicContact CB-CG2 4.41Å; W729-V765 HydrophobicContact CD2-CG1 4.02Å; W729-V765 HydrophobicContact CD2-CG2 4.31Å; W729-V765 HydrophobicContact CE3-CB 4.31Å; W729-V765 HydrophobicContact CE3-CG1 4.21Å; W729-V765 HydrophobicContact CE3-CG2 3.76Å; W729-V765 HydrophobicContact CG-CG1 4.06Å; W729-V765 HydrophobicContact CZ3-CG2 4.41Å; F759-V765 HydrophobicContact CB-CG2 4.27Å; F759-V765 HydrophobicContact CD1-CG2 3.91Å; F759-V765 HydrophobicContact CD2-CG2 4.05Å; F759-V765 HydrophobicContact CE1-CG2 4.27Å; F759-V765 HydrophobicContact CE2-CG2 4.42Å; F759-V765 HydrophobicContact CG-CG2 3.79Å; V762-V765 PolarHBondContact O-N 3.22Å; V762-V765 VanDerWaalsContact O-N 3.17Å; V765-K767 PolarHBondContact O-N 3.36Å; V765-V768 PolarHBondContact O-N 3.15Å; V765-A769 HydrophobicContact CG1-CB 4.34Å; V765-A769 PolarHBondContact O-N 3.08Å; V765-L800 HydrophobicContact CB-CD1 4.35Å; V765-L800 HydrophobicContact CB-CD2 4.41Å; V765-L800 HydrophobicContact CG1-CD1 4.02Å; V765-L800 HydrophobicContact CG1-CD2 4.45Å
766E68.6Low77.7Confident58 Ų5841.8 Ų41.827%0.27122%0.218SC..THydrogen-bonded Turntrans-56.2-23.4-180-171.6176.8-178.100113.2H239 V762 E764 R799 L800H239-E766 IonicContact CD2-OE1 3.17Å; V762-E766 PolarHBondContact O-N 2.92Å; E764-E766 PolarHBondContact O-N 2.97Å; E766-R799 WeakPolarHBondContact OE1-CD 3.34Å; E766-R799 IonicContact OE1-NH1 3.45Å; E766-R799 PolarHBondContact OE1-NH1 2.88Å; E766-R799 WeakPolarHBondContact OE2-CD 3.19Å; E766-L800 VanDerWaalsContact CA-CD2 3.43Å; E766-L800 HydrophobicContact CB-CD2 3.75Å; E766-L800 HydrophobicContact CG-CD2 4.28Å
767K61.9Low78Confident150 Ų15040.7 Ų40.765%0.65221%0.213SC*.THydrogen-bonded Turntrans-90-18-179.5-59164.6-168.1142.80113.7E763 E764 V765E763-K767 WeakPolarHBondContact O-CE 3.31Å; E763-K767 PolarHBondContact O-NZ 2.93Å; E763-K767 VanDerWaalsContact O-NZ 3.1Å; E764-K767 PolarHBondContact O-N 3.04Å; V765-K767 PolarHBondContact O-N 3.36Å
768V66.4Low78.1Confident99 Ų9938.8 Ų38.860%0.620%0.201SC*.THydrogen-bonded Turntrans-122.6-43.4-164.2-171.50000112.8W729 V765W729-V768 HydrophobicContact CH2-CB 3.72Å; W729-V768 HydrophobicContact CH2-CG1 3.75Å; W729-V768 HydrophobicContact CH2-CG2 4.09Å; W729-V768 HydrophobicContact CZ2-CB 3.86Å; W729-V768 HydrophobicContact CZ2-CG1 3.6Å; V765-V768 PolarHBondContact O-N 3.15Å
769A65.5Low78.3Confident8 Ų836 Ų367%0.06619%0.187CC..  trans-133.6119.8-167.700000113.3A706 W729 V765 C771A706-A769 HydrophobicContact CB-CB 4.03Å; W729-A769 HydrophobicContact CZ2-CB 4Å; V765-A769 HydrophobicContact CG1-CB 4.34Å; V765-A769 PolarHBondContact O-N 3.08Å; A769-C771 PolarHBondContact O-N 2.94Å
770P73.9Confident78.5Confident94 Ų9437.2 Ų37.261%0.6120%0.196SC*.  trans-75.988.1169.930.9-32.8000110.1S705S705-P770 WeakPolarHBondContact CB-O 3.41Å
771C84.9Confident79.1Confident0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-74124.5177-62.90000111.1A706 L708 A769 L800 I802A706-C771 VanDerWaalsContact O-CA 3.29Å; A706-C771 WeakPolarHBondContact O-CA 3.26Å; L708-C771 HydrophobicContact CB-CB 4.24Å; A769-C771 PolarHBondContact O-N 2.94Å; C771-L800 HydrophobicContact CB-CD1 4.23Å; C771-I802 HydrophobicContact CB-CG1 4.4Å; C771-I802 WeakPolarHBondContact O-CG1 3.37Å
772T85.5Confident79.5Confident29 Ų2930.8 Ų30.818%0.17817%0.171CC..EExtended strand (participates in β ladder)trans-100.8-19.9178.1570000113.7L702 S705 A706 T803 Q804L702-T772 WeakPolarHBondContact CD2-OG1 3.12Å; S705-T772 WeakPolarHBondContact CB-OG1 3.36Å; S705-T772 WeakPolarHBondContact OG-CG2 3.25Å; S705-T772 PolarHBondContact OG-OG1 3.23Å; A706-T772 PolarHBondContact O-N 3.04Å; A706-T772 VanDerWaalsContact O-N 3.16Å; T772-T803 PolarHBondContact O-N 2.86Å; T772-T803 PolarHBondContact O-OG1 3.44Å; T772-Q804 PolarHBondContact O-N 2.73Å; T772-Q804 VanDerWaalsContact O-N 3.16Å
773L90.6Very high80Confident0 Ų030.5 Ų30.50%017%0.17CC..EExtended strand (participates in β ladder)trans-116.3138177.3176.363.5000109.7T696 L702 I707 L708 F724 L775 Q804 I806T696-L773 HydrophobicContact CG2-CD1 4.3Å; T696-L773 HydrophobicContact CG2-CD2 4.41Å; L702-L773 HydrophobicContact CD1-CB 3.98Å; L702-L773 HydrophobicContact CD1-CD2 3.55Å; L702-L773 HydrophobicContact CD1-CG 4.41Å; L702-L773 HydrophobicContact CG-CB 4.42Å; I707-L773 WeakPolarHBondContact CA-O 3.27Å; I707-L773 HydrophobicContact CD1-CD2 4.15Å; I707-L773 HydrophobicContact CG1-CB 4.28Å; I707-L773 HydrophobicContact CG1-CD2 4.25Å; I707-L773 HydrophobicContact CG2-CB 4.35Å; I707-L773 HydrophobicContact CG2-CD2 4.24Å; I707-L773 HydrophobicContact CG2-CG 4.18Å; L708-L773 PolarHBondContact N-O 3.34Å; F724-L773 HydrophobicContact CE2-CD2 4.04Å; F724-L773 HydrophobicContact CZ-CD2 4.03Å; L773-L775 HydrophobicContact CD1-CD2 4.44Å; L773-L775 HydrophobicContact CD2-CD2 4.04Å; L773-L775 HydrophobicContact CG-CD2 4.11Å; L773-Q804 CarbonylContact C-O 3.55Å; L773-Q804 WeakPolarHBondContact CA-O 3.44Å; L773-Q804 HydrophobicContact CD1-CB 3.83Å; L773-Q804 HydrophobicContact CD1-CG 3.57Å; L773-I806 HydrophobicContact CD1-CD1 3.9Å; L773-I806 HydrophobicContact CD1-CG1 3.98Å; L773-I806 HydrophobicContact CD2-CD1 4.25Å
774L92.6Very high80.6Confident0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-119.7132.3170.9-175.7158.1000110.1L708 L710 C776 V793 I802 Q804 V805 I806L708-L774 HydrophobicContact CB-CG 4.49Å; L708-L774 HydrophobicContact CD2-CD1 3.9Å; L708-L774 HydrophobicContact CD2-CG 4.32Å; L708-L774 CarbonylContact O-C 3.56Å; L708-L774 VanDerWaalsContact O-CA 3.31Å; L708-L774 WeakPolarHBondContact O-CA 3.4Å; L710-L774 HydrophobicContact CD1-CD1 4.04Å; L710-L774 HydrophobicContact CD1-CD2 4.4Å; L710-L774 HydrophobicContact CD1-CG 4.4Å; L774-C776 HydrophobicContact CD2-CB 3.63Å; L774-V793 HydrophobicContact CD1-CG2 4.5Å; L774-V793 HydrophobicContact CD2-CG2 3.88Å; L774-I802 HydrophobicContact CB-CD1 3.87Å; L774-I802 HydrophobicContact CB-CG1 4.36Å; L774-I802 HydrophobicContact CB-CG2 3.7Å; L774-I802 HydrophobicContact CD1-CD1 3.66Å; L774-I802 HydrophobicContact CG-CD1 4.32Å; L774-Q804 PolarHBondContact N-O 2.9Å; L774-V805 HydrophobicContact CD2-CG1 3.9Å; L774-V805 CarbonylContact O-C 3.01Å; L774-V805 WeakPolarHBondContact O-CA 3.37Å; L774-I806 PolarHBondContact O-N 3.17Å
775L94.4Very high81Confident0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-103.8133.6169.3-46.3-179.5000108.3M693 I707 L708 L710 T711 I716 A720 L773 I806M693-L775 HydrophobicContact CG-CD2 4.18Å; M693-L775 HydrophobicContact SD-CD1 3.83Å; M693-L775 HydrophobicContact SD-CD2 4.2Å; I707-L775 HydrophobicContact CG2-CD1 4.13Å; I707-L775 HydrophobicContact CG2-CD2 4.49Å; I707-L775 HydrophobicContact CG2-CG 3.91Å; L708-L775 PolarHBondContact O-N 2.99Å; L710-L775 WeakPolarHBondContact CA-O 3.36Å; L710-L775 PolarHBondContact N-O 3.49Å; T711-L775 HydrophobicContact CG2-CB 3.78Å; I716-L775 HydrophobicContact CG2-CD1 3.95Å; A720-L775 HydrophobicContact CB-CD1 3.92Å; L773-L775 HydrophobicContact CD1-CD2 4.44Å; L773-L775 HydrophobicContact CD2-CD2 4.04Å; L773-L775 HydrophobicContact CG-CD2 4.11Å; L775-I806 WeakPolarHBondContact CA-O 3.23Å; L775-I806 HydrophobicContact CD2-CB 3.87Å; L775-I806 HydrophobicContact CD2-CD1 3.89Å; L775-I806 HydrophobicContact CD2-CG1 4.34Å; L775-I806 HydrophobicContact CD2-CG2 4.39Å
776C93Very high80.8Confident0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-152.8142.8175.757.80000113.4Y689 L710 L774 P778 V793 I806 P807Y689-C776 PolarHBondContact OH-O 3.05Å; L710-C776 HydrophobicContact CB-CB 4.1Å; L774-C776 HydrophobicContact CD2-CB 3.63Å; C776-P778 WeakPolarHBondContact O-CD 3.33Å; C776-V793 HydrophobicContact CB-CG2 3.82Å; C776-V793 VanDerWaalsContact SG-CG2 3.54Å; C776-I806 PolarHBondContact N-O 2.85Å; C776-P807 WeakPolarHBondContact O-CD 3.26Å
777C91Very high80.8Confident6 Ų631.7 Ų31.74%0.04117%0.17CC..  trans-109.993167.2-168.80000110L710 V779 R786L710-C777 PolarHBondContact O-N 2.99Å; C777-V779 PolarHBondContact O-N 2.89Å; C777-R786 PolarHBondContact O-NE 2.82Å; C777-R786 PolarHBondContact O-NH2 2.93Å
778P86.4Confident80.8Confident0 Ų028.2 Ų28.20%016%0.164CC..  trans-75.39.6-174.431.3-37000114.7C776 R786 A789 L790 M810 L875C776-P778 WeakPolarHBondContact O-CD 3.33Å; P778-R786 WeakPolarHBondContact O-CB 3.22Å; P778-R786 PolarHBondContact O-N 3.32Å; P778-A789 HydrophobicContact CB-CB 4.43Å; P778-L790 HydrophobicContact CB-CD2 3.79Å; P778-L790 HydrophobicContact CB-CG 4.3Å; P778-L790 HydrophobicContact CG-CD2 4.47Å; P778-M810 HydrophobicContact CB-CE 4.24Å; P778-M810 HydrophobicContact CG-CE 3.75Å; P778-M810 HydrophobicContact CG-SD 3.89Å; P778-L875 HydrophobicContact CG-CD1 4.38Å
779V88.1Confident81.2Confident3 Ų323.7 Ų23.72%0.01814%0.137CC..BIsolated β-bridgetrans-108.4150.1179.6-172.90000109.6C777 E784 R786 M810 F911 L913 T925 F932C777-V779 PolarHBondContact O-N 2.89Å; V779-E784 CarbonylContact C-O 3.58Å; V779-E784 WeakPolarHBondContact CA-O 3.36Å; V779-R786 PolarHBondContact O-NE 2.93Å; V779-M810 HydrophobicContact CG2-SD 3.61Å; V779-F911 HydrophobicContact CB-CD2 4.33Å; V779-F911 HydrophobicContact CG1-CD2 3.52Å; V779-F911 HydrophobicContact CG1-CE2 3.87Å; V779-F911 HydrophobicContact CG1-CG 4.3Å; V779-F911 HydrophobicContact CG2-CB 3.84Å; V779-F911 HydrophobicContact CG2-CD1 4.25Å; V779-F911 HydrophobicContact CG2-CD2 3.76Å; V779-F911 HydrophobicContact CG2-CE2 4.4Å; V779-F911 HydrophobicContact CG2-CG 3.67Å; V779-L913 HydrophobicContact CG2-CD2 4.25Å; V779-T925 HydrophobicContact CG1-CG2 4.22Å; V779-T925 HydrophobicContact CG2-CG2 4.48Å; V779-F932 HydrophobicContact CB-CE1 3.95Å; V779-F932 HydrophobicContact CG1-CD1 3.96Å; V779-F932 HydrophobicContact CG1-CE1 3.88Å
780S83.3Confident81.8Confident29 Ų2923.4 Ų23.420%0.20313%0.134CC..  trans-97.6153.8170.361.70000111.4G782 G783 E784 F932S780-G782 PolarHBondContact O-N 3.48Å; S780-G782 VanDerWaalsContact O-N 3.17Å; S780-G783 PolarHBondContact O-N 3.41Å; S780-E784 PolarHBondContact N-O 3.17Å; S780-E784 PolarHBondContact OG-N 3.43Å; S780-E784 PolarHBondContact OG-O 3.09Å; S780-F932 WeakPolarHBondContact O-CD1 3.31Å
781S82.4Confident81.6Confident53 Ų5322.1 Ų22.137%0.37113%0.125SC..THydrogen-bonded Turntrans-51-37.5174.448.80000113.1G783 K933S781-G783 PolarHBondContact O-N 3.46Å; S781-G783 VanDerWaalsContact O-N 3.14Å; S781-K933 PolarHBondContact O-N 2.91Å
782G77.8Confident81.2Confident6 Ų624.6 Ų24.66%0.06214%0.137CC..THydrogen-bonded Turntrans-736.9177.700000116.7S780 E853S780-G782 PolarHBondContact O-N 3.48Å; S780-G782 VanDerWaalsContact O-N 3.17Å; G782-E853 PolarHBondContact O-N 3.4Å
783G81.7Confident81.1Confident0 Ų023.3 Ų23.30%013%0.129CC..SBendtrans89.524.1173.400000115.4S780 S781 F909 K933 A935S780-G783 PolarHBondContact O-N 3.41Å; S781-G783 PolarHBondContact O-N 3.46Å; S781-G783 VanDerWaalsContact O-N 3.14Å; G783-F909 WeakPolarHBondContact O-CE2 3.47Å; G783-K933 WeakPolarHBondContact CA-O 3.46Å; G783-K933 PolarHBondContact N-O 3.24Å; G783-A935 WeakPolarHBondContact O-CB 3.48Å
784E78.6Confident80.5Confident19 Ų1924.5 Ų24.59%0.08914%0.135CC..  trans-123.8158.5-173.7-72.2-169137.200114.9V779 S780 R852 A935 I960V779-E784 CarbonylContact C-O 3.58Å; V779-E784 WeakPolarHBondContact CA-O 3.36Å; S780-E784 PolarHBondContact N-O 3.17Å; S780-E784 PolarHBondContact OG-N 3.43Å; S780-E784 PolarHBondContact OG-O 3.09Å; E784-R852 HydrophobicContact CG-CG 4.45Å; E784-R852 IonicContact OE1-CZ 3.78Å; E784-R852 VanDerWaalsContact OE1-CZ 3.23Å; E784-R852 IonicContact OE1-NE 3.87Å; E784-R852 PolarHBondContact OE1-NE 3.44Å; E784-R852 IonicContact OE1-NH2 2.81Å; E784-R852 PolarHBondContact OE1-NH2 3.35Å; E784-R852 IonicContact OE2-CZ 3.2Å; E784-R852 IonicContact OE2-NE 3.75Å; E784-R852 PolarHBondContact OE2-NE 3.47Å; E784-R852 IonicContact OE2-NH2 2.86Å; E784-A935 HydrophobicContact CG-CB 4.39Å; E784-I960 HydrophobicContact CB-CG1 4.18Å; E784-I960 HydrophobicContact CG-CG1 4.33Å; E784-I960 HydrophobicContact CG-CG2 4.44Å; E784-I960 WeakPolarHBondContact OE1-CG2 3.31Å; E784-I960 WeakPolarHBondContact OE2-CD1 3.44Å
785L77.9Confident79.7Confident22 Ų2227.2 Ų27.212%0.11515%0.146CC..BIsolated β-bridgetrans-81.6119.7179.1-174.863.5000111.6R787 L790 M810 I873 F911L785-R787 PolarHBondContact O-N 2.71Å; L785-L790 HydrophobicContact CD1-CD1 3.93Å; L785-L790 HydrophobicContact CD1-CG 4.35Å; L785-L790 HydrophobicContact CD2-CD1 3.91Å; L785-L790 HydrophobicContact CG-CD1 4.03Å; L785-M810 HydrophobicContact CD1-CE 3.32Å; L785-I873 HydrophobicContact CD2-CD1 4.16Å; L785-F911 HydrophobicContact CB-CE1 4.23Å; L785-F911 HydrophobicContact CB-CZ 3.99Å; L785-F911 HydrophobicContact CD1-CE1 4.25Å
786R72.8Confident79Confident59 Ų5927.2 Ų27.222%0.22315%0.146CC..  trans-8197.3-178.6-58.1-159.2-75.6162.8-5.5111.3D712 C777 P778 V779 S788 A789 L790D712-R786 IonicContact OD2-CZ 2.66Å; D712-R786 VanDerWaalsContact OD2-CZ 3.29Å; D712-R786 IonicContact OD2-NH1 3.94Å; D712-R786 PolarHBondContact OD2-NH1 2.99Å; D712-R786 IonicContact OD2-NH2 2.81Å; D712-R786 PolarHBondContact OD2-NH2 3.46Å; C777-R786 PolarHBondContact O-NE 2.82Å; C777-R786 PolarHBondContact O-NH2 2.93Å; P778-R786 WeakPolarHBondContact O-CB 3.22Å; P778-R786 PolarHBondContact O-N 3.32Å; V779-R786 PolarHBondContact O-NE 2.93Å; R786-S788 VanDerWaalsContact C-N 3.27Å; R786-S788 PolarHBondContact O-N 2.78Å; R786-A789 HydrophobicContact CB-CB 3.85Å; R786-A789 PolarHBondContact O-N 3.4Å; R786-A789 VanDerWaalsContact O-N 3.12Å; R786-L790 PolarHBondContact O-N 2.66Å; R786-L790 VanDerWaalsContact O-N 3.17Å
787R67.7Low78.6Confident89 Ų8928.7 Ų28.734%0.33615%0.151SC..Hα-helixtrans-48.9-47.7176.6178.8169.8170.4-171.7-9.7112E272 L785 A789 L790 T791 L958 A959E272-R787 IonicContact OE1-CZ 3.11Å; E272-R787 IonicContact OE1-NH1 3.98Å; E272-R787 IonicContact OE1-NH2 3.97Å; E272-R787 PolarHBondContact OE1-NH2 3.24Å; L785-R787 PolarHBondContact O-N 2.71Å; R787-A789 PolarHBondContact O-N 3.24Å; R787-L790 PolarHBondContact O-N 3.27Å; R787-T791 PolarHBondContact O-N 2.88Å; R787-T791 PolarHBondContact O-OG1 2.65Å; R787-L958 VanDerWaalsContact CB-O 3.32Å; R787-L958 WeakPolarHBondContact CB-O 3.27Å; R787-L958 HydrophobicContact CG-CB 3.95Å; R787-A959 HydrophobicContact CB-CB 4.4Å
788S63.4Low77.9Confident77 Ų7731.4 Ų31.454%0.53817%0.17SC..Hα-helixtrans-58.2-46.7179.445.90000112.4R786 L790 T791 Q792R786-S788 VanDerWaalsContact C-N 3.27Å; R786-S788 PolarHBondContact O-N 2.78Å; S788-L790 PolarHBondContact O-N 2.75Å; S788-T791 PolarHBondContact O-N 3Å; S788-Q792 WeakPolarHBondContact O-CB 3.46Å; S788-Q792 WeakPolarHBondContact O-CG 3.48Å; S788-Q792 PolarHBondContact O-N 2.75Å
789A73.9Confident77.3Confident4 Ų434.5 Ų34.53%0.03318%0.182CC..Hα-helixtrans-62.1-44.5178.500000111.9P778 R786 R787 T791 Q792 V793P778-A789 HydrophobicContact CB-CB 4.43Å; R786-A789 HydrophobicContact CB-CB 3.85Å; R786-A789 PolarHBondContact O-N 3.4Å; R786-A789 VanDerWaalsContact O-N 3.12Å; R787-A789 PolarHBondContact O-N 3.24Å; A789-T791 PolarHBondContact O-N 3.4Å; A789-Q792 PolarHBondContact O-N 3.02Å; A789-V793 VanDerWaalsContact O-CG2 3.28Å; A789-V793 WeakPolarHBondContact O-CG2 3.36Å; A789-V793 PolarHBondContact O-N 3.4Å
790L77.1Confident76.8Confident1 Ų135.2 Ų35.21%0.00519%0.185CC..Hα-helixtrans-62.4-42.7174.8-71.5-174.1000112.2P778 L785 R786 R787 S788 V793 L794 L875 F887 L958P778-L790 HydrophobicContact CB-CD2 3.79Å; P778-L790 HydrophobicContact CB-CG 4.3Å; P778-L790 HydrophobicContact CG-CD2 4.47Å; L785-L790 HydrophobicContact CD1-CD1 3.93Å; L785-L790 HydrophobicContact CD1-CG 4.35Å; L785-L790 HydrophobicContact CD2-CD1 3.91Å; L785-L790 HydrophobicContact CG-CD1 4.03Å; R786-L790 PolarHBondContact O-N 2.66Å; R786-L790 VanDerWaalsContact O-N 3.17Å; R787-L790 PolarHBondContact O-N 3.27Å; S788-L790 PolarHBondContact O-N 2.75Å; L790-V793 PolarHBondContact O-N 3.36Å; L790-L794 WeakPolarHBondContact O-CG 3.36Å; L790-L794 PolarHBondContact O-N 3.47Å; L790-L794 VanDerWaalsContact O-N 3.09Å; L790-L875 HydrophobicContact CD2-CD2 3.62Å; L790-F887 HydrophobicContact CD1-CE2 4.35Å; L790-L958 HydrophobicContact CD1-CD2 4.07Å
791T71.3Confident76.4Confident68 Ų6836.1 Ų36.142%0.41720%0.199SC..Hα-helixtrans-63.2-40.7175.4-63.10000111.6R787 S788 A789 L794 Y795R787-T791 PolarHBondContact O-N 2.88Å; R787-T791 PolarHBondContact O-OG1 2.65Å; S788-T791 PolarHBondContact O-N 3Å; A789-T791 PolarHBondContact O-N 3.4Å; T791-L794 PolarHBondContact O-N 2.85Å; T791-Y795 VanDerWaalsContact O-CB 3.25Å; T791-Y795 WeakPolarHBondContact O-CB 3.36Å; T791-Y795 PolarHBondContact O-N 3.14Å
792Q75.9Confident76.5Confident51 Ų5134 Ų3424%0.23818%0.183CC..Hα-helixtrans-64.5-40.7174.7-75.2173.4-4900112.4L710 S788 A789 Y795 S796L710-Q792 HydrophobicContact CD1-CB 3.97Å; S788-Q792 WeakPolarHBondContact O-CB 3.46Å; S788-Q792 WeakPolarHBondContact O-CG 3.48Å; S788-Q792 PolarHBondContact O-N 2.75Å; A789-Q792 PolarHBondContact O-N 3.02Å; Q792-Y795 PolarHBondContact O-N 2.91Å; Q792-S796 WeakPolarHBondContact O-CB 3.21Å; Q792-S796 PolarHBondContact O-N 3.34Å; Q792-S796 PolarHBondContact O-OG 3.34Å
793V82.6Confident76.7Confident2 Ų237.9 Ų37.91%0.01221%0.207CC..Hα-helixtrans-59.5-50.1175.2170.10000110.4L774 C776 A789 L790 S796 R797 V805L774-V793 HydrophobicContact CD1-CG2 4.5Å; L774-V793 HydrophobicContact CD2-CG2 3.88Å; C776-V793 HydrophobicContact CB-CG2 3.82Å; C776-V793 VanDerWaalsContact SG-CG2 3.54Å; A789-V793 VanDerWaalsContact O-CG2 3.28Å; A789-V793 WeakPolarHBondContact O-CG2 3.36Å; A789-V793 PolarHBondContact O-N 3.4Å; L790-V793 PolarHBondContact O-N 3.36Å; V793-S796 PolarHBondContact O-N 2.69Å; V793-R797 WeakPolarHBondContact O-CB 3.47Å; V793-R797 VanDerWaalsContact O-CG 3.31Å; V793-R797 WeakPolarHBondContact O-CG 3.49Å; V793-R797 PolarHBondContact O-N 2.98Å; V793-V805 HydrophobicContact CG1-CG2 4.31Å
794L78.4Confident77Confident26 Ų2639 Ų3914%0.13621%0.212CC..Hα-helixtrans-62.6-46.1179-68.1174.5000112.3L790 T791 S798 L879 P885 F887 I888L790-L794 WeakPolarHBondContact O-CG 3.36Å; L790-L794 PolarHBondContact O-N 3.47Å; L790-L794 VanDerWaalsContact O-N 3.09Å; T791-L794 PolarHBondContact O-N 2.85Å; L794-S798 WeakPolarHBondContact O-CB 3.32Å; L794-S798 PolarHBondContact O-N 2.94Å; L794-S798 VanDerWaalsContact O-N 3.09Å; L794-L879 HydrophobicContact CD2-CD1 4.3Å; L794-L879 HydrophobicContact CD2-CD2 3.63Å; L794-L879 WeakPolarHBondContact O-CD1 3.45Å; L794-P885 HydrophobicContact CD1-CG 4.17Å; L794-P885 HydrophobicContact CD2-CG 3.54Å; L794-F887 HydrophobicContact CD1-CE2 4.4Å; L794-F887 HydrophobicContact CD1-CZ 3.9Å; L794-F887 HydrophobicContact CD2-CE1 4.23Å; L794-F887 HydrophobicContact CD2-CZ 3.93Å; L794-F887 HydrophobicContact CG-CZ 4.18Å; L794-I888 HydrophobicContact CD1-CD1 3.78Å
795Y76Confident77.6Confident56 Ų5638.1 Ų38.122%0.2221%0.207CC..Hα-helixtrans-57.9-55.3176178.5-98.6000110.7G240 V762 T791 Q792 R797 S798 R799G240-Y795 WeakPolarHBondContact CA-OH 3.32Å; G240-Y795 PolarHBondContact N-OH 3.19Å; V762-Y795 HydrophobicContact CB-CD1 4.35Å; V762-Y795 HydrophobicContact CB-CE1 4.11Å; V762-Y795 HydrophobicContact CG1-CD1 4.11Å; V762-Y795 HydrophobicContact CG1-CE1 3.97Å; T791-Y795 VanDerWaalsContact O-CB 3.25Å; T791-Y795 WeakPolarHBondContact O-CB 3.36Å; T791-Y795 PolarHBondContact O-N 3.14Å; Q792-Y795 PolarHBondContact O-N 2.91Å; Y795-R797 PolarHBondContact O-N 2.97Å; Y795-S798 WeakPolarHBondContact O-CA 3.47Å; Y795-S798 WeakPolarHBondContact O-CB 3.34Å; Y795-S798 PolarHBondContact O-N 3.29Å; Y795-S798 PolarHBondContact O-OG 3Å; Y795-R799 HydrophobicContact CD1-CG 4.04Å; Y795-R799 HydrophobicContact CD2-CG 4.27Å; Y795-R799 HydrophobicContact CE1-CG 3.62Å; Y795-R799 HydrophobicContact CE2-CG 3.87Å; Y795-R799 HydrophobicContact CG-CG 4.34Å; Y795-R799 WeakPolarHBondContact O-CG 2.97Å; Y795-R799 PolarHBondContact O-N 3.4Å
796S80.2Confident78.3Confident0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-58.9-45.3-177.2-54.70000111.8Q792 V793 S798 R799 L800Q792-S796 WeakPolarHBondContact O-CB 3.21Å; Q792-S796 PolarHBondContact O-N 3.34Å; Q792-S796 PolarHBondContact O-OG 3.34Å; V793-S796 PolarHBondContact O-N 2.69Å; S796-S798 VanDerWaalsContact C-N 3.31Å; S796-S798 PolarHBondContact O-N 3.33Å; S796-R799 PolarHBondContact O-N 3.32Å; S796-R799 VanDerWaalsContact O-N 3.16Å; S796-L800 WeakPolarHBondContact O-CB 3.28Å; S796-L800 PolarHBondContact O-N 3.17Å
797R84.4Confident79.3Confident32 Ų3234.2 Ų34.212%0.12119%0.191CC..Hα-helixtrans-58.9-40.9174.7-72.2-177.480.3-151.5-5.7112.4V793 Y795 R799 I802 V805 L875 Q876 E877 L879V793-R797 WeakPolarHBondContact O-CB 3.47Å; V793-R797 VanDerWaalsContact O-CG 3.31Å; V793-R797 WeakPolarHBondContact O-CG 3.49Å; V793-R797 PolarHBondContact O-N 2.98Å; Y795-R797 PolarHBondContact O-N 2.97Å; R797-R799 VanDerWaalsContact C-N 3.31Å; R797-R799 PolarHBondContact O-N 2.88Å; R797-I802 HydrophobicContact CG-CB 4.04Å; R797-I802 HydrophobicContact CG-CG2 4.01Å; R797-V805 HydrophobicContact CG-CG2 4.21Å; R797-L875 PolarHBondContact NH1-O 3.2Å; R797-Q876 VanDerWaalsContact NH1-C 3.33Å; R797-Q876 PolarHBondContact NH1-O 3.21Å; R797-Q876 PolarHBondContact NH2-O 2.8Å; R797-E877 PolarHBondContact NH1-O 3.47Å; R797-E877 PolarHBondContact NH2-O 3.01Å; R797-L879 HydrophobicContact CB-CD1 3.56Å
798S76.4Confident80.4Confident62 Ų6231 Ų3143%0.43418%0.18SC..Hα-helixtrans-72.1-19178.182.60000114.9L794 Y795 S796L794-S798 WeakPolarHBondContact O-CB 3.32Å; L794-S798 PolarHBondContact O-N 2.94Å; L794-S798 VanDerWaalsContact O-N 3.09Å; Y795-S798 WeakPolarHBondContact O-CA 3.47Å; Y795-S798 WeakPolarHBondContact O-CB 3.34Å; Y795-S798 PolarHBondContact O-N 3.29Å; Y795-S798 PolarHBondContact O-OG 3Å; S796-S798 VanDerWaalsContact C-N 3.31Å; S796-S798 PolarHBondContact O-N 3.33Å
799R74.5Confident81.7Confident66 Ų6627.9 Ų27.925%0.24916%0.158CC..Hα-helixtrans-97.1-57.5-179.2-67.2-65.690.1-145.46.3112.5R238 E766 Y795 S796 R797R238-R799 WeakPolarHBondContact O-CD 3.28Å; R238-R799 PolarHBondContact O-NE 3.48Å; R238-R799 PolarHBondContact O-NH1 2.91Å; R238-R799 PolarHBondContact O-NH2 2.77Å; E766-R799 WeakPolarHBondContact OE1-CD 3.34Å; E766-R799 IonicContact OE1-NH1 3.45Å; E766-R799 PolarHBondContact OE1-NH1 2.88Å; E766-R799 WeakPolarHBondContact OE2-CD 3.19Å; Y795-R799 HydrophobicContact CD1-CG 4.04Å; Y795-R799 HydrophobicContact CD2-CG 4.27Å; Y795-R799 HydrophobicContact CE1-CG 3.62Å; Y795-R799 HydrophobicContact CE2-CG 3.87Å; Y795-R799 HydrophobicContact CG-CG 4.34Å; Y795-R799 WeakPolarHBondContact O-CG 2.97Å; Y795-R799 PolarHBondContact O-N 3.4Å; S796-R799 PolarHBondContact O-N 3.32Å; S796-R799 VanDerWaalsContact O-N 3.16Å; R797-R799 VanDerWaalsContact C-N 3.31Å; R797-R799 PolarHBondContact O-N 2.88Å
800L77.4Confident82.5Confident17 Ų1727.7 Ų27.79%0.08916%0.156CC..Hα-helixtrans-88.9-8.6-162-54.5-177.6000114.2L708 V762 V765 E766 C771 S796 I802L708-L800 HydrophobicContact CD1-CD1 4.49Å; L708-L800 HydrophobicContact CD2-CD1 4.02Å; V762-L800 HydrophobicContact CG1-CD1 4.19Å; V765-L800 HydrophobicContact CB-CD1 4.35Å; V765-L800 HydrophobicContact CB-CD2 4.41Å; V765-L800 HydrophobicContact CG1-CD1 4.02Å; V765-L800 HydrophobicContact CG1-CD2 4.45Å; E766-L800 VanDerWaalsContact CA-CD2 3.43Å; E766-L800 HydrophobicContact CB-CD2 3.75Å; E766-L800 HydrophobicContact CG-CD2 4.28Å; C771-L800 HydrophobicContact CB-CD1 4.23Å; S796-L800 WeakPolarHBondContact O-CB 3.28Å; S796-L800 PolarHBondContact O-N 3.17Å; L800-I802 HydrophobicContact CB-CD1 4.1Å; L800-I802 HydrophobicContact CB-CG1 4.13Å; L800-I802 HydrophobicContact CD1-CD1 4.1Å
801G74.1Confident83.2Confident48 Ų4829 Ų2950%0.49516%0.163SC..  trans7923.7-176.100000114.2T803G801-T803 PolarHBondContact O-N 3.21Å; G801-T803 VanDerWaalsContact O-N 3.17Å
802I84.8Confident84Confident8 Ų826.2 Ų26.24%0.04115%0.145CC..  trans-60.9115.5178.8-66.6153.5000110.6L708 C771 L774 R797 L800 Q804L708-I802 HydrophobicContact CD2-CD1 4.37Å; C771-I802 HydrophobicContact CB-CG1 4.4Å; C771-I802 WeakPolarHBondContact O-CG1 3.37Å; L774-I802 HydrophobicContact CB-CD1 3.87Å; L774-I802 HydrophobicContact CB-CG1 4.36Å; L774-I802 HydrophobicContact CB-CG2 3.7Å; L774-I802 HydrophobicContact CD1-CD1 3.66Å; L774-I802 HydrophobicContact CG-CD1 4.32Å; R797-I802 HydrophobicContact CG-CB 4.04Å; R797-I802 HydrophobicContact CG-CG2 4.01Å; L800-I802 HydrophobicContact CB-CD1 4.1Å; L800-I802 HydrophobicContact CB-CG1 4.13Å; L800-I802 HydrophobicContact CD1-CD1 4.1Å; I802-Q804 WeakPolarHBondContact CG2-O 3.48Å
803T82.7Confident84.8Confident89 Ų8924.7 Ų24.755%0.54614%0.138SC..  trans-90-19.8178.853.10000113T772 G801T772-T803 PolarHBondContact O-N 2.86Å; T772-T803 PolarHBondContact O-OG1 3.44Å; G801-T803 PolarHBondContact O-N 3.21Å; G801-T803 VanDerWaalsContact O-N 3.17Å
804Q87.5Confident85.2Confident23 Ų2324.6 Ų24.611%0.10714%0.137CC..EExtended strand (participates in β ladder)trans-135.4134.8-176.8-175.37631.100112T696 V701 T772 L773 L774 I802 E808 Q876T696-Q804 HydrophobicContact CG2-CG 4.08Å; V701-Q804 HydrophobicContact CG1-CB 4.07Å; V701-Q804 HydrophobicContact CG1-CG 4.47Å; T772-Q804 PolarHBondContact O-N 2.73Å; T772-Q804 VanDerWaalsContact O-N 3.16Å; L773-Q804 CarbonylContact C-O 3.55Å; L773-Q804 WeakPolarHBondContact CA-O 3.44Å; L773-Q804 HydrophobicContact CD1-CB 3.83Å; L773-Q804 HydrophobicContact CD1-CG 3.57Å; L774-Q804 PolarHBondContact N-O 2.9Å; I802-Q804 WeakPolarHBondContact CG2-O 3.48Å; Q804-E808 VanDerWaalsContact NE2-CG 3.31Å; Q804-E808 PolarHBondContact NE2-OE1 3.1Å; Q804-Q876 VanDerWaalsContact CD-NE2 3.31Å; Q804-Q876 VanDerWaalsContact OE1-NE2 3.11Å
805V91.5Very high85.9Confident0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-110.7145.6166.3-171.50000110.1L774 V793 R797 P807 L875L774-V805 HydrophobicContact CD2-CG1 3.9Å; L774-V805 CarbonylContact O-C 3.01Å; L774-V805 WeakPolarHBondContact O-CA 3.37Å; V793-V805 HydrophobicContact CG1-CG2 4.31Å; R797-V805 HydrophobicContact CG-CG2 4.21Å; V805-P807 WeakPolarHBondContact CG1-O 3.33Å; V805-L875 HydrophobicContact CB-CB 4.36Å; V805-L875 HydrophobicContact CG1-CB 4.12Å; V805-L875 HydrophobicContact CG1-CD1 4.49Å
806I92.5Very high86.7Confident0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-122.4123165-67.8172.2000108Y689 F692 M693 L773 L774 L775 C776Y689-I806 HydrophobicContact CD1-CG2 4.05Å; Y689-I806 HydrophobicContact CE1-CG2 4.1Å; F692-I806 HydrophobicContact CB-CD1 4.3Å; F692-I806 HydrophobicContact CB-CG2 3.57Å; F692-I806 HydrophobicContact CD2-CG2 3.59Å; F692-I806 HydrophobicContact CG-CG2 3.98Å; M693-I806 HydrophobicContact CG-CD1 3.86Å; L773-I806 HydrophobicContact CD1-CD1 3.9Å; L773-I806 HydrophobicContact CD1-CG1 3.98Å; L773-I806 HydrophobicContact CD2-CD1 4.25Å; L774-I806 PolarHBondContact O-N 3.17Å; L775-I806 WeakPolarHBondContact CA-O 3.23Å; L775-I806 HydrophobicContact CD2-CB 3.87Å; L775-I806 HydrophobicContact CD2-CD1 3.89Å; L775-I806 HydrophobicContact CD2-CG1 4.34Å; L775-I806 HydrophobicContact CD2-CG2 4.39Å; C776-I806 PolarHBondContact N-O 2.85Å
807P93.4Very high87.3Confident0 Ų021.1 Ų21.10%012%0.123CC..SBendcis-68.4155.8-5.131.2-34.5000111.9F692 C776 V805 L875 L913 K914F692-P807 HydrophobicContact CE2-CB 4.24Å; C776-P807 WeakPolarHBondContact O-CD 3.26Å; V805-P807 WeakPolarHBondContact CG1-O 3.33Å; P807-L875 HydrophobicContact CG-CD1 4.09Å; P807-L875 WeakPolarHBondContact O-CD1 3.42Å; P807-L913 HydrophobicContact CB-CB 4.14Å; P807-L913 HydrophobicContact CG-CB 4.07Å; P807-L913 HydrophobicContact CG-CD2 4.19Å; P807-L913 HydrophobicContact CG-CG 4.48Å; P807-K914 WeakPolarHBondContact CB-O 3.35Å
808E91.3Very high87.8Confident22 Ų2221.3 Ų21.310%0.10313%0.126CC..SBendtrans-72.3-33.8178.2-64.7171.5156.800111.9Q804 L875 Q876 K914 C915 P916 S917Q804-E808 VanDerWaalsContact NE2-CG 3.31Å; Q804-E808 PolarHBondContact NE2-OE1 3.1Å; E808-L875 WeakPolarHBondContact O-CB 3.34Å; E808-L875 PolarHBondContact O-N 3.29Å; E808-Q876 HydrophobicContact CB-CG 3.77Å; E808-Q876 HydrophobicContact CG-CG 3.98Å; E808-Q876 PolarHBondContact O-N 3.02Å; E808-K914 PolarHBondContact N-O 2.88Å; E808-C915 HydrophobicContact CB-CB 4.45Å; E808-C915 HydrophobicContact CG-CB 3.97Å; E808-C915 WeakPolarHBondContact OE2-CA 3.48Å; E808-C915 WeakPolarHBondContact OE2-CB 3.31Å; E808-P916 WeakPolarHBondContact OE2-CD 3.34Å; E808-S917 WeakPolarHBondContact OE1-CB 3.43Å; E808-S917 PolarHBondContact OE1-OG 3.45Å; E808-S917 WeakPolarHBondContact OE2-CB 3.32Å; E808-S917 PolarHBondContact OE2-N 3.21Å; E808-S917 PolarHBondContact OE2-OG 3.47Å
809C90.6Very high88.6Confident10 Ų1018.4 Ų18.47%0.06811%0.106CC..EExtended strand (participates in β ladder)trans-148.1167.5173.876.70000112.4T872 I873 K914 P916C809-T872 HydrophobicContact CB-CG2 4.24Å; C809-I873 CarbonylContact C-O 3.56Å; C809-I873 VanDerWaalsContact CA-O 3.29Å; C809-I873 WeakPolarHBondContact CA-O 3.43Å; C809-I873 WeakPolarHBondContact CB-O 3.36Å; C809-K914 PolarHBondContact N-O 3.4Å; C809-K914 PolarHBondContact O-N 2.76Å; C809-K914 VanDerWaalsContact O-O 3.08Å; C809-P916 WeakPolarHBondContact SG-CG 3.3Å
810M90.6Very high89.3Confident0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-136.1134177.2173.2169.763.300110P778 V779 L785 T872 I873 F911 H912 L913P778-M810 HydrophobicContact CB-CE 4.24Å; P778-M810 HydrophobicContact CG-CE 3.75Å; P778-M810 HydrophobicContact CG-SD 3.89Å; V779-M810 HydrophobicContact CG2-SD 3.61Å; L785-M810 HydrophobicContact CD1-CE 3.32Å; M810-T872 CarbonylContact O-C 3.21Å; M810-T872 WeakPolarHBondContact O-CA 3.32Å; M810-I873 HydrophobicContact CE-CD1 3.91Å; M810-I873 PolarHBondContact N-O 3.03Å; M810-I873 PolarHBondContact O-N 3.46Å; M810-F911 HydrophobicContact CE-CD1 4.26Å; M810-F911 HydrophobicContact CG-CB 4.17Å; M810-F911 HydrophobicContact CG-CD1 4.05Å; M810-F911 HydrophobicContact SD-CB 3.98Å; M810-F911 HydrophobicContact SD-CD1 3.6Å; M810-F911 VanDerWaalsContact SD-CD1 3.6Å; M810-F911 HydrophobicContact SD-CE1 4.42Å; M810-F911 HydrophobicContact SD-CG 4.02Å; M810-H912 CarbonylContact C-O 3.58Å; M810-H912 WeakPolarHBondContact CA-O 3.42Å; M810-L913 HydrophobicContact CB-CD2 4.1Å; M810-L913 HydrophobicContact CG-CD2 3.79Å; M810-L913 HydrophobicContact SD-CD2 3.55Å; M810-L913 VanDerWaalsContact SD-CD2 3.55Å
811E90.3Very high89.8Confident30 Ų3021.3 Ų21.314%0.1412%0.122CC..EExtended strand (participates in β ladder)trans-104.4135.1173.8-68.6168-168.900110.3H813 T869 M871 T872 F911 H912 K914E811-H813 WeakPolarHBondContact CB-NE2 3.2Å; E811-H813 IonicContact OE2-CD2 3.62Å; E811-H813 IonicContact OE2-CE1 3.75Å; E811-H813 IonicContact OE2-NE2 2.9Å; E811-H813 PolarHBondContact OE2-NE2 3.11Å; E811-T869 HydrophobicContact CB-CG2 4.01Å; E811-T869 HydrophobicContact CG-CG2 4.17Å; E811-M871 WeakPolarHBondContact CA-O 3.34Å; E811-T872 HydrophobicContact CG-CG2 4.01Å; E811-F911 CarbonylContact O-C 3.32Å; E811-F911 WeakPolarHBondContact O-CA 3.37Å; E811-H912 HydrophobicContact CB-CB 4.28Å; E811-H912 PolarHBondContact N-O 3.41Å; E811-H912 PolarHBondContact O-N 2.94Å; E811-K914 WeakPolarHBondContact OE1-CE 3.38Å; E811-K914 IonicContact OE1-NZ 3.17Å; E811-K914 PolarHBondContact OE1-NZ 3.47Å; E811-K914 WeakPolarHBondContact OE2-CE 3.3Å; E811-K914 IonicContact OE2-NZ 3.57Å; E811-K914 PolarHBondContact OE2-NZ 2.96Å
812V89.1Confident90.6Very high8 Ų819 Ų195%0.04810%0.098CC..EExtended strand (participates in β ladder)trans-87.6113.9168.2-175.10000107.5T869 L870 M871 F911V812-T869 WeakPolarHBondContact O-CA 3.09Å; V812-L870 HydrophobicContact CG1-CB 4.5Å; V812-L870 PolarHBondContact O-N 2.68Å; V812-M871 HydrophobicContact CB-CG 4.01Å; V812-M871 HydrophobicContact CG2-CG 3.61Å; V812-M871 HydrophobicContact CG2-SD 4.24Å; V812-M871 PolarHBondContact N-O 3.02Å; V812-F911 HydrophobicContact CG2-CD1 4.05Å; V812-F911 HydrophobicContact CG2-CE1 3.86Å
813H91.8Very high90.7Very high19 Ų1920.1 Ų20.19%0.08810%0.103CC..EExtended strand (participates in β ladder)trans-100.6146.1176.4-79.3-98.6000110.3E811 F868 T869 F909 W910 H912E811-H813 WeakPolarHBondContact CB-NE2 3.2Å; E811-H813 IonicContact OE2-CD2 3.62Å; E811-H813 IonicContact OE2-CE1 3.75Å; E811-H813 IonicContact OE2-NE2 2.9Å; E811-H813 PolarHBondContact OE2-NE2 3.11Å; H813-F868 WeakPolarHBondContact CA-O 3.35Å; H813-T869 PolarHBondContact CE1-OG1 3.42Å; H813-T869 PolarHBondContact NE2-OG1 3.13Å; H813-F909 CarbonylContact O-C 3.59Å; H813-F909 WeakPolarHBondContact O-CA 3.39Å; H813-F909 WeakPolarHBondContact O-CB 3.4Å; H813-W910 HydrophobicContact CB-CD2 3.92Å; H813-W910 VanDerWaalsContact CB-CE2 3.42Å; H813-W910 HydrophobicContact CB-CG 4.28Å; H813-W910 HydrophobicContact CB-CH2 4.38Å; H813-W910 HydrophobicContact CB-CZ2 3.7Å; H813-W910 PolarHBondContact N-O 3.44Å; H813-W910 PolarHBondContact O-N 3.35Å; H813-H912 AromaticContact CD2-CD2 4Å; H813-H912 AromaticContact CD2-CE1 3.7Å; H813-H912 AromaticContact CD2-CG 3.51Å; H813-H912 AromaticContact CD2-ND1 3.31Å; H813-H912 PolarHBondContact CD2-ND1 2.8Å; H813-H912 VanDerWaalsContact CD2-ND1 3.31Å; H813-H912 AromaticContact CE1-CE1 3.66Å; H813-H912 AromaticContact CE1-ND1 3.52Å; H813-H912 AromaticContact CG-CE1 3.71Å; H813-H912 AromaticContact CG-ND1 3.81Å; H813-H912 AromaticContact ND1-CE1 3.71Å; H813-H912 AromaticContact ND1-ND1 3.94Å; H813-H912 AromaticContact NE2-CE1 3.66Å; H813-H912 AromaticContact NE2-CG 3.71Å; H813-H912 AromaticContact NE2-ND1 3.1Å; H813-H912 PolarHBondContact NE2-ND1 2.87Å
814C92.4Very high90.9Very high0 Ų017.9 Ų17.90%09%0.086CC..EExtended strand (participates in β ladder)trans-142.5154.9-173.3-67.50000111.2P867 F868 V907 V908C814-P867 CarbonylContact O-C 3.34Å; C814-P867 WeakPolarHBondContact O-CA 3.41Å; C814-F868 HydrophobicContact CB-CD1 4.33Å; C814-F868 HydrophobicContact CB-CD2 4.2Å; C814-F868 HydrophobicContact CB-CE1 3.76Å; C814-F868 HydrophobicContact CB-CE2 3.62Å; C814-F868 HydrophobicContact CB-CZ 3.37Å; C814-F868 PolarHBondContact N-O 3.22Å; C814-F868 VanDerWaalsContact O-CD1 3.22Å; C814-F868 WeakPolarHBondContact O-CD1 3.28Å; C814-F868 PolarHBondContact O-N 3.29Å; C814-V907 HydrophobicContact CB-CG1 3.77Å; C814-V908 CarbonylContact C-O 3.53Å; C814-V908 VanDerWaalsContact CA-O 3.31Å; C814-V908 WeakPolarHBondContact CA-O 3.37Å
815I92.9Very high90.8Very high9 Ų918.8 Ų18.85%0.0469%0.089CC..EExtended strand (participates in β ladder)trans-141.1138168.1-166.5173000109.7V817 P863 S865 P867 V907 V908 W910I815-V817 HydrophobicContact CG2-CG1 3.9Å; I815-P863 HydrophobicContact CD1-CB 3.72Å; I815-P863 HydrophobicContact CG1-CB 4.5Å; I815-S865 WeakPolarHBondContact CG1-O 3.49Å; I815-P867 HydrophobicContact CD1-CG 4.23Å; I815-V907 WeakPolarHBondContact O-CA 3.21Å; I815-V908 HydrophobicContact CG2-CB 4Å; I815-V908 PolarHBondContact N-O 3.25Å; I815-V908 PolarHBondContact O-N 3.48Å; I815-V908 VanDerWaalsContact O-N 3.07Å; I815-W910 HydrophobicContact CB-CH2 4.32Å; I815-W910 HydrophobicContact CB-CZ3 4.22Å; I815-W910 HydrophobicContact CG2-CH2 4.39Å; I815-W910 HydrophobicContact CG2-CZ3 3.89Å
816L92.4Very high90.4Very high1 Ų119 Ų191%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-80.1131.9174-51.8-175.8000108.9L864 S865 F868 V896 F904 V907 V950L816-L864 HydrophobicContact CB-CB 4.18Å; L816-L864 PolarHBondContact O-N 3.5Å; L816-S865 PolarHBondContact N-OG 3.06Å; L816-F868 HydrophobicContact CD2-CE1 4Å; L816-F868 HydrophobicContact CD2-CZ 4.08Å; L816-F868 HydrophobicContact CG-CE1 4.08Å; L816-V896 HydrophobicContact CD1-CB 4.06Å; L816-V896 HydrophobicContact CD1-CG1 3.77Å; L816-V896 HydrophobicContact CG-CG1 4.15Å; L816-F904 HydrophobicContact CB-CD2 3.95Å; L816-F904 HydrophobicContact CB-CE2 3.98Å; L816-F904 HydrophobicContact CD2-CD2 4.44Å; L816-F904 HydrophobicContact CD2-CE2 3.71Å; L816-F904 HydrophobicContact CD2-CZ 4.06Å; L816-F904 HydrophobicContact CG-CE2 4.32Å; L816-V907 HydrophobicContact CD2-CG1 4.45Å; L816-V907 HydrophobicContact CD2-CG2 3.87Å; L816-V950 HydrophobicContact CD1-CB 3.87Å; L816-V950 HydrophobicContact CD1-CG1 3.76Å; L816-V950 HydrophobicContact CD1-CG2 4.2Å; L816-V950 HydrophobicContact CD2-CG1 4.5Å
817V93.8Very high90.3Very high0 Ų020.2 Ų20.20%010%0.099CC..EExtended strand (participates in β ladder)trans-130.2157.1-178.1-50.40000113.6I815 L822 Y861 I862 N905 A906 V908I815-V817 HydrophobicContact CG2-CG1 3.9Å; V817-L822 HydrophobicContact CG2-CD1 4.3Å; V817-Y861 HydrophobicContact CB-CD2 3.88Å; V817-Y861 HydrophobicContact CB-CG 4.42Å; V817-Y861 HydrophobicContact CG1-CD2 3.37Å; V817-Y861 HydrophobicContact CG1-CE2 3.85Å; V817-Y861 HydrophobicContact CG1-CG 4.17Å; V817-I862 WeakPolarHBondContact CA-O 3.49Å; V817-N905 PolarHBondContact O-N 2.95Å; V817-N905 VanDerWaalsContact O-N 3.13Å; V817-N905 PolarHBondContact O-OD1 3.44Å; V817-A906 HydrophobicContact CG2-CB 3.85Å; V817-A906 WeakPolarHBondContact CG2-O 3.31Å; V817-A906 PolarHBondContact N-O 3.46Å; V817-A906 PolarHBondContact O-N 2.98Å; V817-V908 HydrophobicContact CG1-CG2 3.87Å; V817-V908 HydrophobicContact CG2-CG2 3.92Å
818D94.6Very high90.2Very high35 Ų3520.3 Ų20.319%0.18710%0.099CC..EExtended strand (participates in β ladder)trans-111.2112160.1177.2-12.8000106.1Y861 I862 L864 T903D818-Y861 CarbonylContact O-C 3.5Å; D818-Y861 WeakPolarHBondContact O-CA 3.16Å; D818-I862 HydrophobicContact CB-CB 4.16Å; D818-I862 PolarHBondContact N-O 3.18Å; D818-I862 PolarHBondContact O-N 3.34Å; D818-L864 HydrophobicContact CB-CD1 4Å; D818-L864 HydrophobicContact CB-CD2 4.03Å; D818-L864 HydrophobicContact CB-CG 4.11Å; D818-T903 VanDerWaalsContact CA-O 3.23Å; D818-T903 WeakPolarHBondContact CA-O 3.23Å; D818-T903 WeakPolarHBondContact CB-O 3.44Å; D818-T903 VanDerWaalsContact CG-O 3.26Å; D818-T903 PolarHBondContact OD2-N 2.86Å
819S93.5Very high90.2Very high2 Ų221.3 Ų21.31%0.01411%0.107CC..  trans-143.9103.1-178.2179.80000111Q821 L822 D860 N905S819-Q821 PolarHBondContact O-N 3.19Å; S819-L822 PolarHBondContact O-N 3.4Å; S819-L822 PolarHBondContact OG-N 3.22Å; S819-D860 WeakPolarHBondContact CB-O 3.4Å; S819-D860 PolarHBondContact OG-O 2.89Å; S819-N905 VanDerWaalsContact C-ND2 3.3Å; S819-N905 PolarHBondContact N-ND2 3.44Å; S819-N905 PolarHBondContact N-OD1 3.24Å; S819-N905 PolarHBondContact O-ND2 2.66Å
820Q88.9Confident90.3Very high110 Ų11023.9 Ų23.951%0.51412%0.12SC..Hα-helixtrans-60.8-32.2175.6-168.3-173.6-61.900111.7L822 E823 E824Q820-L822 VanDerWaalsContact C-N 3.33Å; Q820-L822 PolarHBondContact O-N 3.42Å; Q820-E823 PolarHBondContact O-N 3.35Å; Q820-E824 HydrophobicContact CG-CG 4.48Å; Q820-E824 PolarHBondContact NE2-OE1 3.42Å; Q820-E824 WeakPolarHBondContact O-CG 3.46Å; Q820-E824 PolarHBondContact O-N 3.48Å
821Q88Confident90.5Very high33 Ų3326.4 Ų26.415%0.15413%0.133CC..Hα-helixtrans-62.7-36.5179.2-170.5178.19.800112.4S819 E824 Y825 L859S819-Q821 PolarHBondContact O-N 3.19Å; Q821-E824 PolarHBondContact O-N 3.04Å; Q821-Y825 HydrophobicContact CG-CD2 4.41Å; Q821-Y825 HydrophobicContact CG-CE1 4.03Å; Q821-Y825 HydrophobicContact CG-CE2 3.85Å; Q821-Y825 PolarHBondContact NE2-OH 3.06Å; Q821-Y825 WeakPolarHBondContact O-CD1 3.39Å; Q821-Y825 VanDerWaalsContact O-CG 3.26Å; Q821-Y825 PolarHBondContact O-N 3.18Å; Q821-Y825 VanDerWaalsContact O-N 3.14Å; Q821-L859 HydrophobicContact CB-CD1 4.33Å; Q821-L859 HydrophobicContact CG-CD1 4.34Å
822L89Confident90.8Very high0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-68.6-36.2175.8-68.4-178.4000112.7V817 S819 Q820 T826 Q851 L854 L859 A906 V908 A936 L938V817-L822 HydrophobicContact CG2-CD1 4.3Å; S819-L822 PolarHBondContact O-N 3.4Å; S819-L822 PolarHBondContact OG-N 3.22Å; Q820-L822 VanDerWaalsContact C-N 3.33Å; Q820-L822 PolarHBondContact O-N 3.42Å; L822-T826 WeakPolarHBondContact O-CG2 3.36Å; L822-T826 PolarHBondContact O-N 3.09Å; L822-T826 PolarHBondContact O-OG1 2.83Å; L822-Q851 HydrophobicContact CD2-CG 4.42Å; L822-L854 HydrophobicContact CD2-CD1 3.63Å; L822-L854 HydrophobicContact CD2-CD2 3.85Å; L822-L854 HydrophobicContact CD2-CG 4.4Å; L822-L859 HydrophobicContact CD1-CD2 4.16Å; L822-L859 HydrophobicContact CD2-CD1 3.69Å; L822-L859 HydrophobicContact CD2-CD2 4.25Å; L822-L859 HydrophobicContact CG-CD1 3.92Å; L822-L859 HydrophobicContact CG-CD2 4.24Å; L822-A906 HydrophobicContact CD1-CB 3.55Å; L822-V908 HydrophobicContact CD1-CG2 4.48Å; L822-A936 HydrophobicContact CD1-CB 3.73Å; L822-A936 HydrophobicContact CD2-CB 4.37Å; L822-L938 HydrophobicContact CB-CD2 4.17Å
823E87Confident91Very high31 Ų3134.1 Ų34.115%0.14517%0.167CC..Hα-helixtrans-65.2-49.1172.4-65.4-179.2-156.200110.1Q820 Y825 T826 C827 V829 N905 P941Q820-E823 PolarHBondContact O-N 3.35Å; E823-Y825 PolarHBondContact O-N 2.91Å; E823-Y825 VanDerWaalsContact O-N 3.1Å; E823-T826 PolarHBondContact O-N 2.87Å; E823-T826 PolarHBondContact O-OG1 2.89Å; E823-C827 PolarHBondContact O-N 3.15Å; E823-V829 HydrophobicContact CB-CG2 3.94Å; E823-N905 HydrophobicContact CG-CB 4.48Å; E823-N905 VanDerWaalsContact OE1-CB 3.28Å; E823-N905 WeakPolarHBondContact OE1-CB 3.44Å; E823-N905 PolarHBondContact OE1-ND2 3.37Å; E823-P941 VanDerWaalsContact OE1-CG 3.28Å; E823-P941 WeakPolarHBondContact OE1-CG 3.24Å
824E88.3Confident91.2Very high42 Ų4233.2 Ų33.220%0.19616%0.163CC..Hα-helixtrans-60.1-25.3-178.3-72.9-178.4-177.800114.4F355 K356 N359 Q820 Q821 V829 R833F355-E824 CarbonylContact C-O 3.45Å; K356-E824 PolarHBondContact N-O 2.76Å; N359-E824 HydrophobicContact CB-CB 4.24Å; N359-E824 HydrophobicContact CB-CG 4.16Å; N359-E824 WeakPolarHBondContact ND2-CA 3.32Å; N359-E824 PolarHBondContact ND2-O 3.23Å; Q820-E824 HydrophobicContact CG-CG 4.48Å; Q820-E824 PolarHBondContact NE2-OE1 3.42Å; Q820-E824 WeakPolarHBondContact O-CG 3.46Å; Q820-E824 PolarHBondContact O-N 3.48Å; Q821-E824 PolarHBondContact O-N 3.04Å; E824-V829 HydrophobicContact CG-CG2 3.71Å; E824-R833 IonicContact OE1-CZ 3.13Å; E824-R833 IonicContact OE1-NH1 3Å; E824-R833 PolarHBondContact OE1-NH1 2.9Å; E824-R833 IonicContact OE1-NH2 2.69Å; E824-R833 PolarHBondContact OE1-NH2 2.79Å; E824-R833 IonicContact OE2-NH1 2.71Å
825Y84.9Confident91.4Very high43 Ų4335.1 Ų35.117%0.16917%0.173CC..Hα-helixtrans-84.8-16.2176.1-70.3-3.2000114.3K356 Q821 E823K356-Y825 HydrophobicContact CD-CD1 4.42Å; K356-Y825 HydrophobicContact CD-CE1 4.26Å; K356-Y825 HydrophobicContact CG-CD1 4.06Å; K356-Y825 HydrophobicContact CG-CE1 4.12Å; Q821-Y825 HydrophobicContact CG-CD2 4.41Å; Q821-Y825 HydrophobicContact CG-CE1 4.03Å; Q821-Y825 HydrophobicContact CG-CE2 3.85Å; Q821-Y825 PolarHBondContact NE2-OH 3.06Å; Q821-Y825 WeakPolarHBondContact O-CD1 3.39Å; Q821-Y825 VanDerWaalsContact O-CG 3.26Å; Q821-Y825 PolarHBondContact O-N 3.18Å; Q821-Y825 VanDerWaalsContact O-N 3.14Å; E823-Y825 PolarHBondContact O-N 2.91Å; E823-Y825 VanDerWaalsContact O-N 3.1Å
826T83.9Confident91.6Very high3 Ų337 Ų372%0.01820%0.195CC..Hα-helixtrans-126.7-21.8-167.159.60000115F355 L822 E823 H847 Q851 L938F355-T826 VanDerWaalsContact CD2-O 3.31Å; F355-T826 WeakPolarHBondContact CD2-O 3.29Å; F355-T826 WeakPolarHBondContact CE2-O 3.47Å; L822-T826 WeakPolarHBondContact O-CG2 3.36Å; L822-T826 PolarHBondContact O-N 3.09Å; L822-T826 PolarHBondContact O-OG1 2.83Å; E823-T826 PolarHBondContact O-N 2.87Å; E823-T826 PolarHBondContact O-OG1 2.89Å; T826-H847 WeakPolarHBondContact O-CA 3.29Å; T826-H847 WeakPolarHBondContact O-CB 3.28Å; T826-Q851 HydrophobicContact CG2-CB 4.17Å; T826-L938 HydrophobicContact CG2-CD1 4.03Å; T826-L938 HydrophobicContact CG2-CD2 4.1Å; T826-L938 WeakPolarHBondContact OG1-CD2 3.34Å
827C89.1Confident91.8Very high27 Ų2737.1 Ų37.118%0.18220%0.195CC..SBendtrans-145.4162.4174.268.50000111.1F355 N359 E823 V829 H847F355-C827 VanDerWaalsContact CD1-CA 3.44Å; N359-C827 PolarHBondContact ND2-O 2.81Å; E823-C827 PolarHBondContact O-N 3.15Å; C827-V829 PolarHBondContact O-N 3.29Å; C827-H847 HydrophobicContact CB-CB 4.18Å
828L92.8Very high91.9Very high1 Ų141.2 Ų41.21%0.00521%0.213CC..  trans-77.1112.3165.417756.6000108.1L358 N359 N830 R833 T834 V839 I843 N844L358-L828 HydrophobicContact CB-CD1 4Å; N359-L828 WeakPolarHBondContact OD1-CD1 3.38Å; L828-N830 VanDerWaalsContact C-N 3.35Å; L828-N830 WeakPolarHBondContact CD1-O 3.47Å; L828-N830 PolarHBondContact O-N 3.06Å; L828-R833 HydrophobicContact CD1-CB 3.86Å; L828-R833 HydrophobicContact CD1-CG 4.45Å; L828-T834 HydrophobicContact CD1-CG2 4.07Å; L828-T834 HydrophobicContact CD2-CG2 3.61Å; L828-V839 HydrophobicContact CD2-CB 3.76Å; L828-V839 HydrophobicContact CD2-CG1 4Å; L828-I843 HydrophobicContact CB-CG2 4.27Å; L828-N844 WeakPolarHBondContact CB-OD1 3.29Å; L828-N844 PolarHBondContact N-OD1 3.36Å; L828-N844 PolarHBondContact O-ND2 2.92Å
829V90.6Very high92Very high43 Ų4339.5 Ų39.526%0.26120%0.204SC..  trans-61-43.4-170.7179.20000111.5N359 E823 E824 C827N359-V829 PolarHBondContact OD1-N 3.24Å; E823-V829 HydrophobicContact CB-CG2 3.94Å; E824-V829 HydrophobicContact CG-CG2 3.71Å; C827-V829 PolarHBondContact O-N 3.29Å
830N92.3Very high92Very high64 Ų6439.9 Ų39.934%0.34221%0.208SC..  trans-160.9164.2170.860.653.7000111.3L828 E832 R833L828-N830 VanDerWaalsContact C-N 3.35Å; L828-N830 WeakPolarHBondContact CD1-O 3.47Å; L828-N830 PolarHBondContact O-N 3.06Å; N830-E832 PolarHBondContact O-N 3.49Å; N830-E832 WeakPolarHBondContact OD1-CA 3.14Å; N830-E832 VanDerWaalsContact OD1-CB 3.26Å; N830-E832 WeakPolarHBondContact OD1-CB 3.15Å; N830-E832 PolarHBondContact OD1-N 3.12Å; N830-R833 WeakPolarHBondContact O-CB 3.37Å; N830-R833 PolarHBondContact O-N 3.27Å; N830-R833 PolarHBondContact OD1-N 3.21Å
831D95.5Very high92.3Very high53 Ų5339.9 Ų39.928%0.28321%0.206SC..THydrogen-bonded Turntrans-73.2-5.1179.9-69.6-39.5000114R833 T834 L835 G836 F837 V839 G840D831-R833 VanDerWaalsContact C-N 3.3Å; D831-T834 WeakPolarHBondContact CA-OG1 3.37Å; D831-T834 CarbonylContact O-C 3.57Å; D831-T834 PolarHBondContact O-N 3.43Å; D831-T834 PolarHBondContact O-OG1 2.9Å; D831-T834 VanDerWaalsContact O-OG1 3.05Å; D831-L835 PolarHBondContact O-N 2.82Å; D831-G836 VanDerWaalsContact O-CA 3.29Å; D831-G836 WeakPolarHBondContact O-CA 3.33Å; D831-G836 PolarHBondContact O-N 2.91Å; D831-F837 WeakPolarHBondContact CB-O 3.5Å; D831-V839 PolarHBondContact OD1-N 3.48Å; D831-G840 PolarHBondContact OD1-N 2.73Å
832E95.5Very high92.5Very high156 Ų15639 Ų3973%0.72920%0.202SC*.THydrogen-bonded Turntrans-71.4-29.6171.1-51.3-170.5152.200111.2N830 T834 L835N830-E832 PolarHBondContact O-N 3.49Å; N830-E832 WeakPolarHBondContact OD1-CA 3.14Å; N830-E832 VanDerWaalsContact OD1-CB 3.26Å; N830-E832 WeakPolarHBondContact OD1-CB 3.15Å; N830-E832 PolarHBondContact OD1-N 3.12Å; E832-T834 VanDerWaalsContact C-N 3.29Å; E832-T834 PolarHBondContact O-N 3.17Å; E832-L835 WeakPolarHBondContact O-CA 3.46Å; E832-L835 PolarHBondContact O-N 2.97Å
833R94.2Very high92.7Very high44 Ų4439 Ų3917%0.16620%0.202CC..THydrogen-bonded Turntrans-62.2-38.4172.7-60.4-60.5-175107.54.5112.1N359 V361 N364 E824 L828 N830 D831 L835N359-R833 PolarHBondContact O-NH1 3.34Å; N359-R833 VanDerWaalsContact O-NH1 3.13Å; V361-R833 HydrophobicContact CG2-CB 4.39Å; V361-R833 HydrophobicContact CG2-CG 4.47Å; N364-R833 PolarHBondContact ND2-O 2.76Å; E824-R833 IonicContact OE1-CZ 3.13Å; E824-R833 IonicContact OE1-NH1 3Å; E824-R833 PolarHBondContact OE1-NH1 2.9Å; E824-R833 IonicContact OE1-NH2 2.69Å; E824-R833 PolarHBondContact OE1-NH2 2.79Å; E824-R833 IonicContact OE2-NH1 2.71Å; L828-R833 HydrophobicContact CD1-CB 3.86Å; L828-R833 HydrophobicContact CD1-CG 4.45Å; N830-R833 WeakPolarHBondContact O-CB 3.37Å; N830-R833 PolarHBondContact O-N 3.27Å; N830-R833 PolarHBondContact OD1-N 3.21Å; D831-R833 VanDerWaalsContact C-N 3.3Å; R833-L835 PolarHBondContact O-N 3.07Å
834T96.4Very high92.9Very high0 Ų039.5 Ų39.50%021%0.206CC..THydrogen-bonded Turntrans-84.527.7170.247.50000112.6L358 I392 L828 D831 E832 G836 F837 V839L358-T834 HydrophobicContact CB-CG2 4.1Å; L358-T834 HydrophobicContact CD2-CG2 3.82Å; L358-T834 HydrophobicContact CG-CG2 4.5Å; I392-T834 HydrophobicContact CD1-CG2 3.7Å; L828-T834 HydrophobicContact CD1-CG2 4.07Å; L828-T834 HydrophobicContact CD2-CG2 3.61Å; D831-T834 WeakPolarHBondContact CA-OG1 3.37Å; D831-T834 CarbonylContact O-C 3.57Å; D831-T834 PolarHBondContact O-N 3.43Å; D831-T834 PolarHBondContact O-OG1 2.9Å; D831-T834 VanDerWaalsContact O-OG1 3.05Å; E832-T834 VanDerWaalsContact C-N 3.29Å; E832-T834 PolarHBondContact O-N 3.17Å; T834-G836 PolarHBondContact O-N 2.84Å; T834-F837 WeakPolarHBondContact O-CB 3.49Å; T834-F837 VanDerWaalsContact O-CD2 3.23Å; T834-F837 WeakPolarHBondContact O-CD2 3.2Å; T834-F837 PolarHBondContact O-N 2.94Å; T834-F837 PolarHBondContact OG1-O 3Å; T834-V839 HydrophobicContact CG2-CB 4.16Å; T834-V839 HydrophobicContact CG2-CG2 4.05Å
835L96.4Very high92.8Very high40 Ų4039.3 Ų39.321%0.20921%0.208CC..THydrogen-bonded Turntrans57.530.1172.8-47.5-179.2000114.3V361 N364 Q368 M396 D831 E832 R833V361-L835 HydrophobicContact CG1-CD2 4.21Å; N364-L835 HydrophobicContact CB-CD1 4.18Å; N364-L835 HydrophobicContact CB-CG 4.22Å; Q368-L835 HydrophobicContact CB-CD1 3.89Å; Q368-L835 HydrophobicContact CG-CD1 4.28Å; M396-L835 HydrophobicContact CE-CD1 4.04Å; D831-L835 PolarHBondContact O-N 2.82Å; E832-L835 WeakPolarHBondContact O-CA 3.46Å; E832-L835 PolarHBondContact O-N 2.97Å; R833-L835 PolarHBondContact O-N 3.07Å
836G95.5Very high92.9Very high49 Ų4940 Ų4051%0.50521%0.211SC..THydrogen-bonded Turntrans83.511.3-17800000114.6D831 T834D831-G836 VanDerWaalsContact O-CA 3.29Å; D831-G836 WeakPolarHBondContact O-CA 3.33Å; D831-G836 PolarHBondContact O-N 2.91Å; T834-G836 PolarHBondContact O-N 2.84Å
837F97Very high92.8Very high3 Ų343 Ų431%0.01322%0.224CC..  trans-81.9128.4165.6-67.5-68.1000110.3I392 M395 M396 K399 N425 L427 D831 T834 V839I392-F837 HydrophobicContact CG1-CD2 4.03Å; M395-F837 HydrophobicContact CB-CD1 3.91Å; M395-F837 HydrophobicContact CB-CE1 3.48Å; M395-F837 VanDerWaalsContact CB-CE1 3.48Å; M395-F837 HydrophobicContact CB-CE2 4.32Å; M395-F837 HydrophobicContact CB-CG 4.48Å; M395-F837 HydrophobicContact CB-CZ 3.72Å; M395-F837 HydrophobicContact CE-CB 3.79Å; M395-F837 HydrophobicContact CE-CD1 3.89Å; M395-F837 HydrophobicContact CE-CG 3.84Å; M395-F837 HydrophobicContact CG-CE1 4.42Å; M395-F837 HydrophobicContact SD-CD1 3.83Å; M395-F837 HydrophobicContact SD-CE1 4.3Å; M395-F837 HydrophobicContact SD-CG 4.4Å; M396-F837 HydrophobicContact CG-CE2 3.82Å; M396-F837 HydrophobicContact CG-CZ 4.41Å; K399-F837 HydrophobicContact CD-CE1 3.53Å; K399-F837 HydrophobicContact CD-CZ 3.66Å; K399-F837 HydrophobicContact CG-CE1 4.12Å; K399-F837 HydrophobicContact CG-CZ 4.2Å; N425-F837 WeakPolarHBondContact OD1-CA 3.14Å; L427-F837 HydrophobicContact CD1-CE1 4.02Å; D831-F837 WeakPolarHBondContact CB-O 3.5Å; T834-F837 WeakPolarHBondContact O-CB 3.49Å; T834-F837 VanDerWaalsContact O-CD2 3.23Å; T834-F837 WeakPolarHBondContact O-CD2 3.2Å; T834-F837 PolarHBondContact O-N 2.94Å; T834-F837 PolarHBondContact OG1-O 3Å; F837-V839 HydrophobicContact CB-CG2 4.12Å; F837-V839 PolarHBondContact O-N 3.26Å
838K97.1Very high92.2Very high86 Ų8642.1 Ų42.137%0.37422%0.218SC..  trans-6896.6176.9-49.1175.8-155.9159.30109.4D424 N425 E426D424-K838 WeakPolarHBondContact O-CD 3.42Å; D424-K838 WeakPolarHBondContact O-CE 3.47Å; D424-K838 PolarHBondContact O-NZ 2.98Å; N425-K838 PolarHBondContact ND2-N 2.85Å; N425-K838 PolarHBondContact ND2-O 2.82Å; N425-K838 PolarHBondContact OD1-N 2.84Å; E426-K838 IonicContact OE1-NZ 2.74Å
839V96.8Very high91.3Very high0 Ų043.1 Ų43.10%023%0.225CC..  trans-120.8-36.5-177.5-179.90000110.9L358 T390 M395 V421 L828 D831 T834 F837 K841 H842 I843L358-V839 HydrophobicContact CD1-CG1 4.08Å; T390-V839 HydrophobicContact CG2-CG1 3.95Å; M395-V839 HydrophobicContact CE-CG2 4.32Å; V421-V839 HydrophobicContact CG1-CG2 3.96Å; L828-V839 HydrophobicContact CD2-CB 3.76Å; L828-V839 HydrophobicContact CD2-CG1 4Å; D831-V839 PolarHBondContact OD1-N 3.48Å; T834-V839 HydrophobicContact CG2-CB 4.16Å; T834-V839 HydrophobicContact CG2-CG2 4.05Å; F837-V839 HydrophobicContact CB-CG2 4.12Å; F837-V839 PolarHBondContact O-N 3.26Å; V839-K841 VanDerWaalsContact C-N 3.28Å; V839-K841 PolarHBondContact O-N 3Å; V839-H842 PolarHBondContact O-N 3.31Å; V839-I843 HydrophobicContact CG1-CG2 4.03Å; V839-I843 PolarHBondContact O-N 2.97Å
840G93.6Very high90.7Very high9 Ų941.2 Ų41.29%0.09321%0.213CC..Hα-helixtrans-56.2-38.8-173.700000113.4D831 H842 N844D831-G840 PolarHBondContact OD1-N 2.73Å; G840-H842 PolarHBondContact O-N 3.39Å; G840-H842 VanDerWaalsContact O-N 3.15Å; G840-N844 WeakPolarHBondContact O-CB 3.25Å; G840-N844 PolarHBondContact O-N 2.9Å
841K93.5Very high90.3Very high111 Ų11139.3 Ų39.348%0.48320%0.202SC..Hα-helixtrans-50.5-38.7176.1177.6-173.9167.9-157.40113.3D424 V839 P845D424-K841 IonicContact OD1-NZ 2.79Å; D424-K841 PolarHBondContact OD1-NZ 3.11Å; D424-K841 WeakPolarHBondContact OD2-CD 3.45Å; D424-K841 IonicContact OD2-NZ 2.66Å; D424-K841 PolarHBondContact OD2-NZ 3.13Å; V839-K841 VanDerWaalsContact C-N 3.28Å; V839-K841 PolarHBondContact O-N 3Å; K841-P845 WeakPolarHBondContact O-CD 3.32Å; K841-P845 WeakPolarHBondContact O-CG 3.35Å
842H93.7Very high89.7Confident14 Ų1440.4 Ų40.47%0.06520%0.202CC..Hα-helixtrans-99.7-30.8-171.8-59.6-90000113.1I417 E420 V421 D424 V839 G840 Y846I417-H842 HydrophobicContact CG2-CB 4.11Å; E420-H842 VanDerWaalsContact CB-ND1 3.32Å; E420-H842 WeakPolarHBondContact CB-ND1 3.45Å; E420-H842 IonicContact OE2-CE1 3.06Å; E420-H842 IonicContact OE2-CG 2.68Å; E420-H842 IonicContact OE2-ND1 2.73Å; E420-H842 PolarHBondContact OE2-ND1 2.85Å; V421-H842 HydrophobicContact CG2-CB 3.72Å; D424-H842 IonicContact OD1-CE1 3.4Å; D424-H842 IonicContact OD1-NE2 2.64Å; D424-H842 IonicContact OD2-NE2 3.19Å; V839-H842 PolarHBondContact O-N 3.31Å; G840-H842 PolarHBondContact O-N 3.39Å; G840-H842 VanDerWaalsContact O-N 3.15Å; H842-Y846 WeakPolarHBondContact O-CE2 3.15Å
843I92.4Very high89Confident0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-92.8-33.7-179.9-156.7179.5000113.7V350 H354 F355 L358 T390 L828 V839 P845 Y846V350-I843 HydrophobicContact CG1-CD1 4.01Å; V350-I843 HydrophobicContact CG1-CG1 4Å; H354-I843 HydrophobicContact CB-CD1 3.83Å; F355-I843 HydrophobicContact CD1-CD1 4.37Å; F355-I843 HydrophobicContact CE1-CB 4.34Å; F355-I843 HydrophobicContact CE1-CD1 4.03Å; F355-I843 HydrophobicContact CE1-CG1 3.75Å; F355-I843 HydrophobicContact CE1-CG2 4.04Å; F355-I843 HydrophobicContact CZ-CG1 4.14Å; L358-I843 HydrophobicContact CD1-CD1 3.55Å; L358-I843 HydrophobicContact CD1-CG2 4.26Å; T390-I843 HydrophobicContact CG2-CD1 3.96Å; L828-I843 HydrophobicContact CB-CG2 4.27Å; V839-I843 HydrophobicContact CG1-CG2 4.03Å; V839-I843 PolarHBondContact O-N 2.97Å; I843-P845 VanDerWaalsContact C-N 3.32Å; I843-Y846 PolarHBondContact O-N 2.93Å
844N90.8Very high88.5Confident42 Ų4238 Ų3823%0.22519%0.194CC..G310 helixtrans-64.7-21.3180-66.4-8000115.3L828 G840 Y846 H847L828-N844 WeakPolarHBondContact CB-OD1 3.29Å; L828-N844 PolarHBondContact N-OD1 3.36Å; L828-N844 PolarHBondContact O-ND2 2.92Å; G840-N844 WeakPolarHBondContact O-CB 3.25Å; G840-N844 PolarHBondContact O-N 2.9Å; N844-Y846 PolarHBondContact O-N 3Å; N844-Y846 VanDerWaalsContact O-N 3.12Å; N844-H847 PolarHBondContact O-N 2.77Å; N844-H847 VanDerWaalsContact O-N 3.16Å; N844-H847 PolarHBondContact O-ND1 2.98Å
845P86.6Confident87.8Confident37 Ų3740 Ų4024%0.2420%0.204CC..G310 helixtrans-54.3-22.9165.9-30.438.3000114.8R346 K841 I843 F989R346-P845 PolarHBondContact NE-O 2.91Å; R346-P845 PolarHBondContact NH2-O 3.07Å; K841-P845 WeakPolarHBondContact O-CD 3.32Å; K841-P845 WeakPolarHBondContact O-CG 3.35Å; I843-P845 VanDerWaalsContact C-N 3.32Å; P845-F989 HydrophobicContact CB-CZ 4.13Å; P845-F989 HydrophobicContact CG-CZ 4.08Å
846Y86.4Confident87.2Confident58 Ų5839 Ų3923%0.22720%0.199CC..G310 helixtrans-9811.7-179.5-54-83.4000113.9R346 F349 V350 L413 I417 H842 I843 N844R346-Y846 WeakPolarHBondContact CB-O 3.46Å; F349-Y846 HydrophobicContact CB-CD1 4.44Å; V350-Y846 HydrophobicContact CB-CG 4.23Å; V350-Y846 HydrophobicContact CG2-CD1 3.99Å; V350-Y846 HydrophobicContact CG2-CD2 3.84Å; V350-Y846 HydrophobicContact CG2-CG 3.55Å; L413-Y846 HydrophobicContact CD2-CD1 4.46Å; L413-Y846 HydrophobicContact CD2-CE1 3.87Å; I417-Y846 HydrophobicContact CD1-CD2 4.07Å; I417-Y846 HydrophobicContact CD1-CE2 3.65Å; I417-Y846 HydrophobicContact CG1-CE2 4.3Å; H842-Y846 WeakPolarHBondContact O-CE2 3.15Å; I843-Y846 PolarHBondContact O-N 2.93Å; N844-Y846 PolarHBondContact O-N 3Å; N844-Y846 VanDerWaalsContact O-N 3.12Å
847H83.2Confident86.5Confident67 Ų6740.9 Ų40.931%0.3120%0.197SC..  trans-61.5147.9175.873.7-97.3000112.8R346 T826 C827 N844R346-H847 WeakPolarHBondContact CD-O 3.38Å; R346-H847 PolarHBondContact NH1-CE1 2.9Å; R346-H847 PolarHBondContact NH1-NE2 3.18Å; R346-H847 PolarHBondContact NH1-O 3.05Å; T826-H847 WeakPolarHBondContact O-CA 3.29Å; T826-H847 WeakPolarHBondContact O-CB 3.28Å; C827-H847 HydrophobicContact CB-CB 4.18Å; N844-H847 PolarHBondContact O-N 2.77Å; N844-H847 VanDerWaalsContact O-N 3.16Å; N844-H847 PolarHBondContact O-ND1 2.98Å
848T76Confident85.7Confident8 Ų843 Ų435%0.04921%0.207CC..  trans-85.7132.6170.842.70000111.8P347 Q352 V850P347-T848 HydrophobicContact CB-CG2 3.69Å; P347-T848 HydrophobicContact CG-CG2 3.68Å; Q352-T848 HydrophobicContact CG-CG2 4.26Å; Q352-T848 PolarHBondContact NE2-OG1 2.92Å; T848-V850 VanDerWaalsContact C-N 3.33Å
849S73.8Confident85.1Confident21 Ų2139.7 Ų39.715%0.14719%0.194CC..SBendtrans-83.6-4.7175.154.10000114.6A937 L938S849-A937 WeakPolarHBondContact O-CA 3.24Å; S849-L938 PolarHBondContact O-N 3Å
850V78.4Confident84.6Confident3 Ų345.7 Ų45.72%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-136.6125.5173.3-179.30000108.6T848 F909 A935 A936 T962T848-V850 VanDerWaalsContact C-N 3.33Å; V850-F909 HydrophobicContact CG1-CE1 4.45Å; V850-F909 HydrophobicContact CG1-CZ 4.4Å; V850-A935 HydrophobicContact CG1-CB 4.44Å; V850-A936 CarbonylContact C-O 3.58Å; V850-A936 VanDerWaalsContact CA-O 3.27Å; V850-A936 WeakPolarHBondContact CA-O 3.47Å; V850-T962 HydrophobicContact CG2-CG2 4.12Å
851Q84.2Confident84.6Confident24 Ų2448.2 Ų48.211%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-96.1139.4167.7-174.257.425.100109.7L822 T826 L854 A935 A936 L938L822-Q851 HydrophobicContact CD2-CG 4.42Å; T826-Q851 HydrophobicContact CG2-CB 4.17Å; Q851-L854 HydrophobicContact CB-CD1 4.26Å; Q851-L854 HydrophobicContact CG-CD1 4.1Å; Q851-L854 HydrophobicContact CG-CD2 3.78Å; Q851-L854 HydrophobicContact CG-CG 4.02Å; Q851-A935 CarbonylContact O-C 3.56Å; Q851-A935 VanDerWaalsContact O-CA 3.3Å; Q851-A935 WeakPolarHBondContact O-CA 3.34Å; Q851-A935 WeakPolarHBondContact O-CB 3.47Å; Q851-A936 PolarHBondContact N-O 2.7Å; Q851-A936 PolarHBondContact O-N 2.86Å; Q851-L938 HydrophobicContact CB-CD1 4.16Å
852R82.9Confident84.6Confident76 Ų7645.7 Ų45.729%0.28722%0.224SC..EExtended strand (participates in β ladder)trans-112.9172.4-176.6-63.8173.8-179.971.922.7110.8E784 L854E784-R852 HydrophobicContact CG-CG 4.45Å; E784-R852 IonicContact OE1-CZ 3.78Å; E784-R852 VanDerWaalsContact OE1-CZ 3.23Å; E784-R852 IonicContact OE1-NE 3.87Å; E784-R852 PolarHBondContact OE1-NE 3.44Å; E784-R852 IonicContact OE1-NH2 2.81Å; E784-R852 PolarHBondContact OE1-NH2 3.35Å; E784-R852 IonicContact OE2-CZ 3.2Å; E784-R852 IonicContact OE2-NE 3.75Å; E784-R852 PolarHBondContact OE2-NE 3.47Å; E784-R852 IonicContact OE2-NH2 2.86Å; R852-L854 PolarHBondContact O-N 3.48Å; R852-L854 VanDerWaalsContact O-N 3.1Å
853E80.6Confident84.7Confident136 Ų13647.7 Ų47.764%0.63624%0.239SC*.EExtended strand (participates in β ladder)trans60.224.5166.7-71.1170.5-178.800114.5G782 K933 V934G782-E853 PolarHBondContact O-N 3.4Å; E853-K933 HydrophobicContact CB-CG 4.4Å; E853-K933 HydrophobicContact CG-CG 4.47Å; E853-V934 PolarHBondContact N-O 2.91Å
854L83.8Confident84.8Confident14 Ų1447.7 Ų47.77%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-78.4131.9179.2-61.9169.6000110.8L822 Q851 R852 L859 K933 V934 A936L822-L854 HydrophobicContact CD2-CD1 3.63Å; L822-L854 HydrophobicContact CD2-CD2 3.85Å; L822-L854 HydrophobicContact CD2-CG 4.4Å; Q851-L854 HydrophobicContact CB-CD1 4.26Å; Q851-L854 HydrophobicContact CG-CD1 4.1Å; Q851-L854 HydrophobicContact CG-CD2 3.78Å; Q851-L854 HydrophobicContact CG-CG 4.02Å; R852-L854 PolarHBondContact O-N 3.48Å; R852-L854 VanDerWaalsContact O-N 3.1Å; L854-L859 HydrophobicContact CD2-CD1 4.5Å; L854-K933 WeakPolarHBondContact O-CB 3.17Å; L854-V934 HydrophobicContact CB-CG2 3.97Å; L854-V934 WeakPolarHBondContact CB-O 3.41Å; L854-V934 PolarHBondContact N-O 2.91Å; L854-V934 WeakPolarHBondContact O-CG2 3.32Å; L854-V934 PolarHBondContact O-N 3.48Å; L854-A936 HydrophobicContact CD1-CB 3.54Å
855N81.6Confident85Confident41 Ų4145.8 Ų45.822%0.21923%0.229CC..  trans-90.1115.2164.1-175.8-15.9000109.4N857 Q858 L859N855-N857 PolarHBondContact O-N 2.93Å; N855-N857 VanDerWaalsContact O-N 3.09Å; N855-N857 PolarHBondContact OD1-N 3.04Å; N855-N857 VanDerWaalsContact OD1-N 3.14Å; N855-Q858 HydrophobicContact CB-CB 4.05Å; N855-Q858 HydrophobicContact CB-CG 4.01Å; N855-Q858 VanDerWaalsContact CG-OE1 3.32Å; N855-Q858 PolarHBondContact ND2-OE1 3.1Å; N855-Q858 PolarHBondContact O-N 3.47Å; N855-L859 PolarHBondContact O-N 3.21Å
856L83.5Confident85.4Confident20 Ų2049.4 Ų49.411%0.10525%0.246CC..THydrogen-bonded Turntrans-58.2-26.7-176.1-172.956.3000113.5Y861 V908 V934L856-Y861 HydrophobicContact CD1-CD1 4.4Å; L856-Y861 HydrophobicContact CD1-CE1 3.56Å; L856-Y861 HydrophobicContact CG-CE1 4.35Å; L856-V908 HydrophobicContact CD1-CG1 4.13Å; L856-V934 HydrophobicContact CB-CG1 4.42Å; L856-V934 HydrophobicContact CB-CG2 4.04Å
857N79.6Confident85.7Confident88 Ų8850.5 Ų50.547%0.47126%0.26SS..THydrogen-bonded Turntrans-89.2-5.1179.7-71.5-9.7000113.9R554 N855 C928R554-N857 PolarHBondContact NH2-O 2.96Å; N855-N857 PolarHBondContact O-N 2.93Å; N855-N857 VanDerWaalsContact O-N 3.09Å; N855-N857 PolarHBondContact OD1-N 3.04Å; N855-N857 VanDerWaalsContact OD1-N 3.14Å; N857-C928 HydrophobicContact CB-CB 4.33Å; N857-C928 WeakPolarHBondContact ND2-CB 3.45Å; N857-C928 PolarHBondContact ND2-SG 3.24Å
858Q79.9Confident86.2Confident48 Ų4848.5 Ų48.522%0.22425%0.25CS..THydrogen-bonded Turntrans-108.6-23176.1-62.2177.2-49.700112D552 N855D552-Q858 HydrophobicContact CB-CB 4.01Å; D552-Q858 HydrophobicContact CB-CG 3.81Å; D552-Q858 PolarHBondContact O-NE2 3.27Å; N855-Q858 HydrophobicContact CB-CB 4.05Å; N855-Q858 HydrophobicContact CB-CG 4.01Å; N855-Q858 VanDerWaalsContact CG-OE1 3.32Å; N855-Q858 PolarHBondContact ND2-OE1 3.1Å; N855-Q858 PolarHBondContact O-N 3.47Å
859L84.8Confident86.9Confident17 Ų1750.7 Ų50.79%0.08926%0.264CS..SBendtrans-66.8131.1174.5-174.969.3000112.2Q821 L822 L854 N855 Y861 V908Q821-L859 HydrophobicContact CB-CD1 4.33Å; Q821-L859 HydrophobicContact CG-CD1 4.34Å; L822-L859 HydrophobicContact CD1-CD2 4.16Å; L822-L859 HydrophobicContact CD2-CD1 3.69Å; L822-L859 HydrophobicContact CD2-CD2 4.25Å; L822-L859 HydrophobicContact CG-CD1 3.92Å; L822-L859 HydrophobicContact CG-CD2 4.24Å; L854-L859 HydrophobicContact CD2-CD1 4.5Å; N855-L859 PolarHBondContact O-N 3.21Å; L859-Y861 HydrophobicContact CB-CD1 4.26Å; L859-Y861 HydrophobicContact CD2-CD1 4.04Å; L859-Y861 HydrophobicContact CD2-CG 4.39Å; L859-Y861 HydrophobicContact CG-CD1 4.13Å; L859-Y861 WeakPolarHBondContact O-CD1 3.42Å; L859-V908 HydrophobicContact CD2-CG2 4.27Å
860D87.6Confident87.5Confident125 Ų12549.8 Ų49.867%0.66826%0.257SS*.  trans-82.4111.8167.2-171.617.2000110S819S819-D860 WeakPolarHBondContact CB-O 3.4Å; S819-D860 PolarHBondContact OG-O 2.89Å
861Y92.7Very high87.7Confident62 Ų6250.2 Ų50.224%0.24326%0.259CS..  trans-153152.8179.476.9-82.4000112.7V817 D818 L856 L859 P863V817-Y861 HydrophobicContact CB-CD2 3.88Å; V817-Y861 HydrophobicContact CB-CG 4.42Å; V817-Y861 HydrophobicContact CG1-CD2 3.37Å; V817-Y861 HydrophobicContact CG1-CE2 3.85Å; V817-Y861 HydrophobicContact CG1-CG 4.17Å; D818-Y861 CarbonylContact O-C 3.5Å; D818-Y861 WeakPolarHBondContact O-CA 3.16Å; L856-Y861 HydrophobicContact CD1-CD1 4.4Å; L856-Y861 HydrophobicContact CD1-CE1 3.56Å; L856-Y861 HydrophobicContact CG-CE1 4.35Å; L859-Y861 HydrophobicContact CB-CD1 4.26Å; L859-Y861 HydrophobicContact CD2-CD1 4.04Å; L859-Y861 HydrophobicContact CD2-CG 4.39Å; L859-Y861 HydrophobicContact CG-CD1 4.13Å; L859-Y861 WeakPolarHBondContact O-CD1 3.42Å; Y861-P863 HydrophobicContact CE2-CB 4.13Å; Y861-P863 HydrophobicContact CE2-CG 4.5Å
862I94.8Very high87.8Confident59 Ų5952 Ų5230%0.30327%0.272SS..EExtended strand (participates in β ladder)trans-100.7121.3168.7-69.8170.7000108.6V817 D818 L864 K900V817-I862 WeakPolarHBondContact CA-O 3.49Å; D818-I862 HydrophobicContact CB-CB 4.16Å; D818-I862 PolarHBondContact N-O 3.18Å; D818-I862 PolarHBondContact O-N 3.34Å; I862-L864 HydrophobicContact CG2-CD2 4.08Å; I862-L864 PolarHBondContact O-N 3.01Å; I862-K900 HydrophobicContact CG2-CD 3.61Å
863P95.4Very high87.9Confident56 Ų5648.5 Ų48.536%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-70.3122.3170.627.2-32.7000110.5I815 Y861I815-P863 HydrophobicContact CD1-CB 3.72Å; I815-P863 HydrophobicContact CG1-CB 4.5Å; Y861-P863 HydrophobicContact CE2-CB 4.13Å; Y861-P863 HydrophobicContact CE2-CG 4.5Å
864L94.8Very high88.2Confident0 Ų045.3 Ų45.30%025%0.246CC..SBendtrans-96.9-15.8176.8-57.4176.1000112.6L816 D818 I862 V898 T899 F904 V944L816-L864 HydrophobicContact CB-CB 4.18Å; L816-L864 PolarHBondContact O-N 3.5Å; D818-L864 HydrophobicContact CB-CD1 4Å; D818-L864 HydrophobicContact CB-CD2 4.03Å; D818-L864 HydrophobicContact CB-CG 4.11Å; I862-L864 HydrophobicContact CG2-CD2 4.08Å; I862-L864 PolarHBondContact O-N 3.01Å; L864-V898 CarbonylContact O-C 3.38Å; L864-V898 WeakPolarHBondContact O-CA 3.39Å; L864-T899 PolarHBondContact O-N 3.36Å; L864-T899 PolarHBondContact O-OG1 3.1Å; L864-F904 VanDerWaalsContact CD1-CA 3.42Å; L864-F904 HydrophobicContact CD1-CB 3.62Å; L864-F904 HydrophobicContact CD1-CD2 4.27Å; L864-F904 HydrophobicContact CD1-CG 4.43Å; L864-V944 HydrophobicContact CD1-CG2 3.85Å
865S94.4Very high88.4Confident2 Ų244.8 Ų44.81%0.01424%0.244CC..SBendtrans-129.6168.1171.174.80000110.8I815 L816 T899I815-S865 WeakPolarHBondContact CG1-O 3.49Å; L816-S865 PolarHBondContact N-OG 3.06Å; S865-T899 WeakPolarHBondContact CA-OG1 3.12Å
866N94.8Very high88.5Confident112 Ų11244.9 Ų44.960%0.59924%0.243SC*.  trans-69.9159.3155.2-64.8-14.1000109.2
867P93.8Very high88.4Confident82 Ų8244.6 Ų44.653%0.53224%0.241SC..  trans-54141.8164.9-26.735.7000112.3C814 I815 W910C814-P867 CarbonylContact O-C 3.34Å; C814-P867 WeakPolarHBondContact O-CA 3.41Å; I815-P867 HydrophobicContact CD1-CG 4.23Å; P867-W910 HydrophobicContact CB-CH2 3.95Å; P867-W910 HydrophobicContact CB-CZ2 4.15Å; P867-W910 HydrophobicContact CG-CH2 4.28Å
868F92.8Very high88Confident24 Ų2444.9 Ų44.911%0.10525%0.247CC..EExtended strand (participates in β ladder)trans-143.4147.217964.9-85.9000112H813 C814 L816 L870 T894 V896 A952H813-F868 WeakPolarHBondContact CA-O 3.35Å; C814-F868 HydrophobicContact CB-CD1 4.33Å; C814-F868 HydrophobicContact CB-CD2 4.2Å; C814-F868 HydrophobicContact CB-CE1 3.76Å; C814-F868 HydrophobicContact CB-CE2 3.62Å; C814-F868 HydrophobicContact CB-CZ 3.37Å; C814-F868 PolarHBondContact N-O 3.22Å; C814-F868 VanDerWaalsContact O-CD1 3.22Å; C814-F868 WeakPolarHBondContact O-CD1 3.28Å; C814-F868 PolarHBondContact O-N 3.29Å; L816-F868 HydrophobicContact CD2-CE1 4Å; L816-F868 HydrophobicContact CD2-CZ 4.08Å; L816-F868 HydrophobicContact CG-CE1 4.08Å; F868-L870 HydrophobicContact CE2-CB 4.36Å; F868-L870 HydrophobicContact CE2-CD1 4.43Å; F868-T894 HydrophobicContact CD2-CG2 3.91Å; F868-T894 HydrophobicContact CE2-CG2 4.47Å; F868-V896 HydrophobicContact CD1-CG1 3.91Å; F868-V896 HydrophobicContact CD1-CG2 3.89Å; F868-V896 HydrophobicContact CD2-CG2 3.84Å; F868-V896 HydrophobicContact CE1-CB 4.5Å; F868-V896 HydrophobicContact CE1-CG1 4Å; F868-V896 HydrophobicContact CE1-CG2 3.71Å; F868-V896 HydrophobicContact CE2-CG2 3.65Å; F868-V896 HydrophobicContact CG-CG2 3.96Å; F868-V896 HydrophobicContact CZ-CG2 3.58Å; F868-A952 HydrophobicContact CE2-CB 4.04Å; F868-A952 HydrophobicContact CZ-CB 4.04Å
869T90.8Very high87.4Confident54 Ų5444.8 Ų44.833%0.33125%0.248SC..EExtended strand (participates in β ladder)trans-76.4124.4170.4-48.50000109.9E811 V812 H813 M871 T894E811-T869 HydrophobicContact CB-CG2 4.01Å; E811-T869 HydrophobicContact CG-CG2 4.17Å; V812-T869 WeakPolarHBondContact O-CA 3.09Å; H813-T869 PolarHBondContact CE1-OG1 3.42Å; H813-T869 PolarHBondContact NE2-OG1 3.13Å; T869-M871 WeakPolarHBondContact CG2-O 3.46Å; T869-T894 PolarHBondContact O-OG1 3.29Å
870L85.8Confident86.2Confident2 Ų249.3 Ų49.31%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-88.5-37.4174.5179.963.6000112.1V812 F868 S892 A952 L954 V963V812-L870 HydrophobicContact CG1-CB 4.5Å; V812-L870 PolarHBondContact O-N 2.68Å; F868-L870 HydrophobicContact CE2-CB 4.36Å; F868-L870 HydrophobicContact CE2-CD1 4.43Å; L870-S892 WeakPolarHBondContact O-CB 3.22Å; L870-S892 PolarHBondContact O-OG 3.23Å; L870-A952 HydrophobicContact CD1-CB 4.22Å; L870-L954 HydrophobicContact CD2-CB 4.1Å; L870-L954 HydrophobicContact CD2-CD1 4.08Å; L870-L954 HydrophobicContact CG-CB 4.41Å; L870-V963 HydrophobicContact CD2-CB 4.13Å; L870-V963 HydrophobicContact CD2-CG1 3.63Å; L870-V963 HydrophobicContact CD2-CG2 3.53Å
871M83.3Confident84.6Confident12 Ų1249.2 Ų49.26%0.05928%0.278CS..EExtended strand (participates in β ladder)trans-156.4163.7170.776.4175.5-56.100112E811 V812 T869 I873 F887 L954E811-M871 WeakPolarHBondContact CA-O 3.34Å; V812-M871 HydrophobicContact CB-CG 4.01Å; V812-M871 HydrophobicContact CG2-CG 3.61Å; V812-M871 HydrophobicContact CG2-SD 4.24Å; V812-M871 PolarHBondContact N-O 3.02Å; T869-M871 WeakPolarHBondContact CG2-O 3.46Å; M871-I873 HydrophobicContact CE-CD1 4.3Å; M871-I873 HydrophobicContact CE-CG1 3.54Å; M871-I873 HydrophobicContact CG-CG1 4.34Å; M871-I873 HydrophobicContact SD-CD1 4.04Å; M871-I873 HydrophobicContact SD-CG1 3.84Å; M871-F887 HydrophobicContact CE-CB 4.28Å; M871-L954 HydrophobicContact CG-CD2 4.38Å; M871-L954 HydrophobicContact SD-CD2 3.34Å; M871-L954 WeakPolarHBondContact SD-CD2 3.47Å
872T86.7Confident82.6Confident61 Ų6152.6 Ų52.637%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-114.9130.1163.7-49.90000108.7C809 M810 E811C809-T872 HydrophobicContact CB-CG2 4.24Å; M810-T872 CarbonylContact O-C 3.21Å; M810-T872 WeakPolarHBondContact O-CA 3.32Å; E811-T872 HydrophobicContact CG-CG2 4.01Å
873I85Confident80.6Confident3 Ų354.3 Ų54.32%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-100.3110.3170.8-64.9168.5000106.7L785 C809 M810 M871 L875 F887L785-I873 HydrophobicContact CD2-CD1 4.16Å; C809-I873 CarbonylContact C-O 3.56Å; C809-I873 VanDerWaalsContact CA-O 3.29Å; C809-I873 WeakPolarHBondContact CA-O 3.43Å; C809-I873 WeakPolarHBondContact CB-O 3.36Å; M810-I873 HydrophobicContact CE-CD1 3.91Å; M810-I873 PolarHBondContact N-O 3.03Å; M810-I873 PolarHBondContact O-N 3.46Å; M871-I873 HydrophobicContact CE-CD1 4.3Å; M871-I873 HydrophobicContact CE-CG1 3.54Å; M871-I873 HydrophobicContact CG-CG1 4.34Å; M871-I873 HydrophobicContact SD-CD1 4.04Å; M871-I873 HydrophobicContact SD-CG1 3.84Å; I873-L875 HydrophobicContact CG2-CD2 3.8Å; I873-L875 HydrophobicContact CG2-CG 4.4Å; I873-F887 HydrophobicContact CG1-CB 4.43Å; I873-F887 HydrophobicContact CG2-CB 4.39Å; I873-F887 HydrophobicContact CG2-CD1 4.14Å; I873-F887 HydrophobicContact CG2-CD2 4.01Å; I873-F887 HydrophobicContact CG2-CE1 4.36Å; I873-F887 HydrophobicContact CG2-CE2 4.25Å; I873-F887 HydrophobicContact CG2-CG 3.95Å; I873-F887 HydrophobicContact CG2-CZ 4.4Å
874D86.9Confident78.8Confident69 Ų6956.7 Ų56.737%0.36933%0.328SS..EExtended strand (participates in β ladder)trans-81.3112.5172.1-177.6-3.4000108.9Q876 E877D874-Q876 VanDerWaalsContact C-N 3.34Å; D874-Q876 WeakPolarHBondContact OD1-CA 3.5Å; D874-Q876 WeakPolarHBondContact OD1-CB 3.33Å; D874-Q876 PolarHBondContact OD1-N 3.13Å; D874-E877 HydrophobicContact CB-CB 4.17Å; D874-E877 PolarHBondContact OD1-N 2.7Å
875L87.6Confident77.3Confident4 Ų457.4 Ų57.42%0.02133%0.333CS..SBendtrans-85.7-13.5178.3-60.1173.4000111.6P778 L790 R797 V805 P807 E808 I873P778-L875 HydrophobicContact CG-CD1 4.38Å; L790-L875 HydrophobicContact CD2-CD2 3.62Å; R797-L875 PolarHBondContact NH1-O 3.2Å; V805-L875 HydrophobicContact CB-CB 4.36Å; V805-L875 HydrophobicContact CG1-CB 4.12Å; V805-L875 HydrophobicContact CG1-CD1 4.49Å; P807-L875 HydrophobicContact CG-CD1 4.09Å; P807-L875 WeakPolarHBondContact O-CD1 3.42Å; E808-L875 WeakPolarHBondContact O-CB 3.34Å; E808-L875 PolarHBondContact O-N 3.29Å; I873-L875 HydrophobicContact CG2-CD2 3.8Å; I873-L875 HydrophobicContact CG2-CG 4.4Å
876Q83.7Confident76Confident42 Ų4264 Ų6420%0.19636%0.361CS..SBendtrans-91.7-11.6176.5-75.5-76.478.200113.6R797 Q804 E808 D874R797-Q876 VanDerWaalsContact NH1-C 3.33Å; R797-Q876 PolarHBondContact NH1-O 3.21Å; R797-Q876 PolarHBondContact NH2-O 2.8Å; Q804-Q876 VanDerWaalsContact CD-NE2 3.31Å; Q804-Q876 VanDerWaalsContact OE1-NE2 3.11Å; E808-Q876 HydrophobicContact CB-CG 3.77Å; E808-Q876 HydrophobicContact CG-CG 3.98Å; E808-Q876 PolarHBondContact O-N 3.02Å; D874-Q876 VanDerWaalsContact C-N 3.34Å; D874-Q876 WeakPolarHBondContact OD1-CA 3.5Å; D874-Q876 WeakPolarHBondContact OD1-CB 3.33Å; D874-Q876 PolarHBondContact OD1-N 3.13Å
877E81.2Confident74.5Confident15 Ų1559.3 Ų59.37%0.0734%0.335CS..  trans-44.7129.4-179.5178.9162.3-123.600112.5R797 D874 L879 P885 K886R797-E877 PolarHBondContact NH1-O 3.47Å; R797-E877 PolarHBondContact NH2-O 3.01Å; D874-E877 HydrophobicContact CB-CB 4.17Å; D874-E877 PolarHBondContact OD1-N 2.7Å; E877-L879 PolarHBondContact O-N 3.13Å; E877-P885 WeakPolarHBondContact OE2-CA 3.42Å; E877-P885 WeakPolarHBondContact OE2-CB 3.2Å; E877-K886 VanDerWaalsContact OE1-CD 3.25Å; E877-K886 WeakPolarHBondContact OE1-CD 3.49Å; E877-K886 WeakPolarHBondContact OE1-CE 3.44Å; E877-K886 WeakPolarHBondContact OE1-CG 3.32Å; E877-K886 IonicContact OE1-NZ 3.78Å; E877-K886 PolarHBondContact OE1-NZ 2.99Å; E877-K886 PolarHBondContact OE2-N 2.93Å
878P71.1Confident73Confident93 Ų9357.1 Ų57.160%0.60432%0.318SS*.  trans-59.6131.2-179.5-27.436000113.5D880P878-D880 PolarHBondContact O-N 2.93Å
879L66.7Low71.3Confident46 Ų4661.5 Ų61.524%0.24134%0.337CS..  trans-91.467.2-179.3-56.2-173.5000111.3L794 R797 E877 P881 P885L794-L879 HydrophobicContact CD2-CD1 4.3Å; L794-L879 HydrophobicContact CD2-CD2 3.63Å; L794-L879 WeakPolarHBondContact O-CD1 3.45Å; R797-L879 HydrophobicContact CB-CD1 3.56Å; E877-L879 PolarHBondContact O-N 3.13Å; L879-P881 WeakPolarHBondContact O-CD 3.43Å; L879-P885 HydrophobicContact CD2-CG 3.7Å
880D60.6Low69.7Low113 Ų11362.5 Ų62.560%0.60434%0.339SS*.  trans-75.7108.4175.8-78.6-35.8000111.2P878 T883P878-D880 PolarHBondContact O-N 2.93Å; D880-T883 PolarHBondContact O-N 3.29Å; D880-T883 PolarHBondContact O-OG1 3.23Å
881P53.5Low68.5Low122 Ų12266 Ų6679%0.79236%0.357SS*.THydrogen-bonded Turntrans-75134.7177-9.328.8000109.2L879L879-P881 WeakPolarHBondContact O-CD 3.43Å
882P50.7Low67.8Low133 Ų13366.3 Ų66.386%0.86436%0.36SS*.THydrogen-bonded Turncis-100.413.319.839.6-37.5000115E884P882-E884 PolarHBondContact O-N 3.34Å
883T53.4Low67.2Low95 Ų9571 Ų7158%0.58337%0.371SS*.  trans-81.3109.7-176.815.70000111.9D880D880-T883 PolarHBondContact O-N 3.29Å; D880-T883 PolarHBondContact O-OG1 3.23Å
884E56.8Low67Low107 Ų10772.5 Ų72.550%0.538%0.38SS..  trans-55142.1165-63.3162.3108.600111P882 I888 K889P882-E884 PolarHBondContact O-N 3.34Å; E884-I888 HydrophobicContact CB-CD1 4.39Å; E884-K889 WeakPolarHBondContact OE2-CE 3.45Å; E884-K889 IonicContact OE2-NZ 3.13Å; E884-K889 PolarHBondContact OE2-NZ 3.49Å
885P63.7Low67Low15 Ų1573 Ų7310%0.09739%0.386CS..  trans-47.3143.8176.3-24.825.6000113.4L794 E877 L879 F887 I888L794-P885 HydrophobicContact CD1-CG 4.17Å; L794-P885 HydrophobicContact CD2-CG 3.54Å; E877-P885 WeakPolarHBondContact OE2-CA 3.42Å; E877-P885 WeakPolarHBondContact OE2-CB 3.2Å; L879-P885 HydrophobicContact CD2-CG 3.7Å; P885-F887 HydrophobicContact CB-CD1 3.66Å; P885-F887 HydrophobicContact CB-CE1 3.53Å; P885-F887 HydrophobicContact CB-CG 4.4Å; P885-F887 HydrophobicContact CB-CZ 4.17Å; P885-F887 HydrophobicContact CG-CE1 4.14Å; P885-F887 HydrophobicContact CG-CZ 4.46Å; P885-F887 PolarHBondContact O-N 3.39Å; P885-I888 HydrophobicContact CB-CD1 4.35Å; P885-I888 HydrophobicContact CB-CG1 4.18Å; P885-I888 HydrophobicContact CG-CD1 4Å; P885-I888 HydrophobicContact CG-CG1 4.37Å; P885-I888 WeakPolarHBondContact O-CB 3.43Å; P885-I888 PolarHBondContact O-N 3.24Å
886K67Low67Low140 Ų14073.3 Ų73.361%0.60939%0.388SS*.Hα-helixtrans-57.1-39.8-177.4-67-177.9-162.1710110.9E877 I888 K889 Q890E877-K886 VanDerWaalsContact OE1-CD 3.25Å; E877-K886 WeakPolarHBondContact OE1-CD 3.49Å; E877-K886 WeakPolarHBondContact OE1-CE 3.44Å; E877-K886 WeakPolarHBondContact OE1-CG 3.32Å; E877-K886 IonicContact OE1-NZ 3.78Å; E877-K886 PolarHBondContact OE1-NZ 2.99Å; E877-K886 PolarHBondContact OE2-N 2.93Å; K886-I888 PolarHBondContact O-N 2.85Å; K886-I888 VanDerWaalsContact O-N 3.16Å; K886-K889 CarbonylContact O-C 3.55Å; K886-K889 WeakPolarHBondContact O-CA 3.35Å; K886-K889 PolarHBondContact O-N 3.21Å; K886-Q890 VanDerWaalsContact O-CB 3.31Å; K886-Q890 WeakPolarHBondContact O-CB 3.46Å; K886-Q890 PolarHBondContact O-N 2.98Å
887F64.4Low67.2Low14 Ų1477.2 Ų77.26%0.06141%0.406CS..Hα-helixtrans-62.4-22.5-178.872.3-101.6000114.1L790 L794 M871 I873 P885 K889 L958L790-F887 HydrophobicContact CD1-CE2 4.35Å; L794-F887 HydrophobicContact CD1-CE2 4.4Å; L794-F887 HydrophobicContact CD1-CZ 3.9Å; L794-F887 HydrophobicContact CD2-CE1 4.23Å; L794-F887 HydrophobicContact CD2-CZ 3.93Å; L794-F887 HydrophobicContact CG-CZ 4.18Å; M871-F887 HydrophobicContact CE-CB 4.28Å; I873-F887 HydrophobicContact CG1-CB 4.43Å; I873-F887 HydrophobicContact CG2-CB 4.39Å; I873-F887 HydrophobicContact CG2-CD1 4.14Å; I873-F887 HydrophobicContact CG2-CD2 4.01Å; I873-F887 HydrophobicContact CG2-CE1 4.36Å; I873-F887 HydrophobicContact CG2-CE2 4.25Å; I873-F887 HydrophobicContact CG2-CG 3.95Å; I873-F887 HydrophobicContact CG2-CZ 4.4Å; P885-F887 HydrophobicContact CB-CD1 3.66Å; P885-F887 HydrophobicContact CB-CE1 3.53Å; P885-F887 HydrophobicContact CB-CG 4.4Å; P885-F887 HydrophobicContact CB-CZ 4.17Å; P885-F887 HydrophobicContact CG-CE1 4.14Å; P885-F887 HydrophobicContact CG-CZ 4.46Å; P885-F887 PolarHBondContact O-N 3.39Å; F887-K889 VanDerWaalsContact C-N 3.29Å; F887-L958 HydrophobicContact CD2-CD2 4.32Å; F887-L958 HydrophobicContact CE2-CD2 4.06Å
888I61.2Low67.7Low35 Ų3576.6 Ų76.618%0.17940%0.403CS..Hα-helixtrans-71.4-27.3173.2-54.5-174.1000111.3L794 E884 P885 K886 S956 L958L794-I888 HydrophobicContact CD1-CD1 3.78Å; E884-I888 HydrophobicContact CB-CD1 4.39Å; P885-I888 HydrophobicContact CB-CD1 4.35Å; P885-I888 HydrophobicContact CB-CG1 4.18Å; P885-I888 HydrophobicContact CG-CD1 4Å; P885-I888 HydrophobicContact CG-CG1 4.37Å; P885-I888 WeakPolarHBondContact O-CB 3.43Å; P885-I888 PolarHBondContact O-N 3.24Å; K886-I888 PolarHBondContact O-N 2.85Å; K886-I888 VanDerWaalsContact O-N 3.16Å; I888-S956 VanDerWaalsContact O-CB 3.31Å; I888-S956 WeakPolarHBondContact O-CB 3.48Å; I888-L958 HydrophobicContact CD1-CD1 4.14Å; I888-L958 HydrophobicContact CG1-CD1 4.11Å; I888-L958 HydrophobicContact CG1-CD2 4.36Å; I888-L958 HydrophobicContact CG2-CD1 4.02Å; I888-L958 HydrophobicContact CG2-CG 4.44Å
889K56.5Low68.8Low116 Ų11674.7 Ų74.750%0.50439%0.389SS..Hα-helixtrans-106.1-5.2-178.8-71.7169.3176.8154.80113.7E884 K886 F887 L891E884-K889 WeakPolarHBondContact OE2-CE 3.45Å; E884-K889 IonicContact OE2-NZ 3.13Å; E884-K889 PolarHBondContact OE2-NZ 3.49Å; K886-K889 CarbonylContact O-C 3.55Å; K886-K889 WeakPolarHBondContact O-CA 3.35Å; K886-K889 PolarHBondContact O-N 3.21Å; F887-K889 VanDerWaalsContact C-N 3.29Å; K889-L891 PolarHBondContact O-N 3.48Å
890Q57.3Low70.1Confident76 Ų7677 Ų7736%0.35540%0.398SS..  trans-80.493.3-169.3-173168.4-6.700111.5K886 S892K886-Q890 VanDerWaalsContact O-CB 3.31Å; K886-Q890 WeakPolarHBondContact O-CB 3.46Å; K886-Q890 PolarHBondContact O-N 2.98Å; Q890-S892 VanDerWaalsContact C-N 3.25Å; Q890-S892 PolarHBondContact O-N 2.74Å
891L60.8Low71.7Confident76 Ų7678.1 Ų78.140%0.39840%0.399SS..  trans-7680.4167.3-160.7163.3000108.9K889 R893 F953 L954K889-L891 PolarHBondContact O-N 3.48Å; L891-R893 HydrophobicContact CD2-CG 4.03Å; L891-F953 HydrophobicContact CD2-CD2 4.44Å; L891-L954 WeakPolarHBondContact CA-O 3.49Å
892S69.2Low73.5Confident18 Ų1873.5 Ų73.513%0.12637%0.373CS..  trans-68.3145.4-178-160.10000111.6L870 Q890 F953 L954L870-S892 WeakPolarHBondContact O-CB 3.22Å; L870-S892 PolarHBondContact O-OG 3.23Å; Q890-S892 VanDerWaalsContact C-N 3.25Å; Q890-S892 PolarHBondContact O-N 2.74Å; S892-F953 CarbonylContact O-C 3.52Å; S892-F953 WeakPolarHBondContact O-CA 3.38Å; S892-F953 VanDerWaalsContact O-CB 3.29Å; S892-F953 WeakPolarHBondContact O-CB 3.47Å; S892-L954 PolarHBondContact O-N 2.95Å
893R74.3Confident75.5Confident159 Ų15969.6 Ų69.660%0.635%0.348SS*.EExtended strand (participates in β ladder)trans-141.2131.9176.8-47.3-163.2-165.3179.73.7110.7L891 E951 A952 F953L891-R893 HydrophobicContact CD2-CG 4.03Å; R893-E951 WeakPolarHBondContact CD-OE1 3.03Å; R893-E951 IonicContact CZ-OE1 3.92Å; R893-E951 IonicContact NE-OE1 3.6Å; R893-E951 IonicContact NH1-OE1 3.86Å; R893-E951 PolarHBondContact NH1-OE1 2.67Å; R893-E951 VanDerWaalsContact NH1-OE1 3.11Å; R893-A952 CarbonylContact C-O 3.58Å; R893-A952 WeakPolarHBondContact CA-O 3.49Å; R893-F953 HydrophobicContact CB-CB 4.31Å; R893-F953 HydrophobicContact CG-CB 3.92Å
894T80.9Confident77.3Confident35 Ų3565.5 Ų65.522%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-129124177.9-56.70000108.8F868 T869 V896 A952F868-T894 HydrophobicContact CD2-CG2 3.91Å; F868-T894 HydrophobicContact CE2-CG2 4.47Å; T869-T894 PolarHBondContact O-OG1 3.29Å; T894-V896 HydrophobicContact CG2-CG2 4.16Å; T894-A952 PolarHBondContact N-O 3.2Å; T894-A952 PolarHBondContact O-N 3.36Å
895V85.7Confident78.8Confident79 Ų7960.4 Ų60.448%0.47930%0.298SS..EExtended strand (participates in β ladder)trans-85119.4170.2-177.40000107.9T949V895-T949 HydrophobicContact CG1-CG2 3.97Å
896V88Confident80Confident10 Ų1059.7 Ų59.76%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-106.6134.2-175.5-173.20000109L816 F868 T894 T949 V950 A952L816-V896 HydrophobicContact CD1-CB 4.06Å; L816-V896 HydrophobicContact CD1-CG1 3.77Å; L816-V896 HydrophobicContact CG-CG1 4.15Å; F868-V896 HydrophobicContact CD1-CG1 3.91Å; F868-V896 HydrophobicContact CD1-CG2 3.89Å; F868-V896 HydrophobicContact CD2-CG2 3.84Å; F868-V896 HydrophobicContact CE1-CB 4.5Å; F868-V896 HydrophobicContact CE1-CG1 4Å; F868-V896 HydrophobicContact CE1-CG2 3.71Å; F868-V896 HydrophobicContact CE2-CG2 3.65Å; F868-V896 HydrophobicContact CG-CG2 3.96Å; F868-V896 HydrophobicContact CZ-CG2 3.58Å; T894-V896 HydrophobicContact CG2-CG2 4.16Å; V896-T949 WeakPolarHBondContact O-CA 3.34Å; V896-V950 PolarHBondContact N-O 3.09Å; V896-V950 PolarHBondContact O-N 2.97Å; V896-A952 HydrophobicContact CG2-CB 4.29Å
897H89.3Confident81.1Confident124 Ų12453 Ų5357%0.57426%0.264SS*.EExtended strand (participates in β ladder)trans-88.2131.1172.3-71.1-81.3000110.7T899 T949H897-T899 PolarHBondContact O-N 3.19Å; H897-T949 WeakPolarHBondContact ND1-CG2 3.4Å
898V91.5Very high82.4Confident3 Ų352.4 Ų52.42%0.01826%0.261CS..  trans-76.4114.8176.5175.50000109.3L864 K900 V944 T945 G947 S948 V950L864-V898 CarbonylContact O-C 3.38Å; L864-V898 WeakPolarHBondContact O-CA 3.39Å; V898-K900 WeakPolarHBondContact CG1-O 3.45Å; V898-V944 HydrophobicContact CG1-CB 4.14Å; V898-V944 HydrophobicContact CG1-CG2 3.87Å; V898-V944 HydrophobicContact CG2-CB 4.16Å; V898-V944 HydrophobicContact CG2-CG2 4.33Å; V898-T945 WeakPolarHBondContact CG1-O 3.2Å; V898-G947 PolarHBondContact O-N 2.88Å; V898-S948 WeakPolarHBondContact CB-O 3.44Å; V898-S948 PolarHBondContact N-O 2.86Å; V898-V950 HydrophobicContact CG2-CG2 3.64Å
899T94Very high83.9Confident52 Ų5250.8 Ų50.832%0.31925%0.253SS..  trans-88.8-23.3-175.557.10000113.2L864 S865 H897 K946L864-T899 PolarHBondContact O-N 3.36Å; L864-T899 PolarHBondContact O-OG1 3.1Å; S865-T899 WeakPolarHBondContact CA-OG1 3.12Å; H897-T899 PolarHBondContact O-N 3.19Å; T899-K946 VanDerWaalsContact O-CD 3.3Å; T899-K946 WeakPolarHBondContact O-CD 3.42Å; T899-K946 WeakPolarHBondContact O-CE 3.42Å; T899-K946 WeakPolarHBondContact O-CG 3.3Å
900K93.7Very high85.6Confident95 Ų9546 Ų4641%0.41323%0.232SC..SBendtrans-139.2144.8178.4-172.4-176.5167.1-1700109.9I862 V898I862-K900 HydrophobicContact CG2-CD 3.61Å; V898-K900 WeakPolarHBondContact CG1-O 3.45Å
901E93Very high87.2Confident137 Ų13742.6 Ų42.664%0.6422%0.216SC*.  trans-75.9150.3174.166.2-158.2164.900112.4V944E901-V944 WeakPolarHBondContact CA-O 3.3Å
902G92.5Very high88.8Confident24 Ų2440.7 Ų40.725%0.24721%0.205CC..EExtended strand (participates in β ladder)trans163.4-167.9-177.700000112.2V944G902-V944 PolarHBondContact N-O 2.81Å; G902-V944 WeakPolarHBondContact O-CG2 3.33Å; G902-V944 PolarHBondContact O-N 3.47Å
903T91.8Very high90Very high52 Ų5239.8 Ų39.832%0.31920%0.199SC..EExtended strand (participates in β ladder)trans-101.4102177.8-510000109.8D818 N905 P941D818-T903 VanDerWaalsContact CA-O 3.23Å; D818-T903 WeakPolarHBondContact CA-O 3.23Å; D818-T903 WeakPolarHBondContact CB-O 3.44Å; D818-T903 VanDerWaalsContact CG-O 3.26Å; D818-T903 PolarHBondContact OD2-N 2.86Å; T903-N905 PolarHBondContact O-N 2.91Å; T903-N905 VanDerWaalsContact O-N 3.11Å; T903-P941 HydrophobicContact CG2-CB 3.69Å
904F90.9Very high90.8Very high8 Ų834.6 Ų34.64%0.03518%0.181CC..EExtended strand (participates in β ladder)trans-69.5109.5176.7169.3-119.6000110.3L816 L864 A906 V907 V939 T942 V944 V950 V965L816-F904 HydrophobicContact CB-CD2 3.95Å; L816-F904 HydrophobicContact CB-CE2 3.98Å; L816-F904 HydrophobicContact CD2-CD2 4.44Å; L816-F904 HydrophobicContact CD2-CE2 3.71Å; L816-F904 HydrophobicContact CD2-CZ 4.06Å; L816-F904 HydrophobicContact CG-CE2 4.32Å; L864-F904 VanDerWaalsContact CD1-CA 3.42Å; L864-F904 HydrophobicContact CD1-CB 3.62Å; L864-F904 HydrophobicContact CD1-CD2 4.27Å; L864-F904 HydrophobicContact CD1-CG 4.43Å; F904-A906 VanDerWaalsContact CE2-O 3.26Å; F904-A906 WeakPolarHBondContact CE2-O 3.2Å; F904-V907 HydrophobicContact CE2-CG2 3.82Å; F904-V907 HydrophobicContact CZ-CG2 3.72Å; F904-V939 HydrophobicContact CD1-CG2 4Å; F904-V939 HydrophobicContact CE1-CB 4.45Å; F904-V939 HydrophobicContact CE1-CG1 4.34Å; F904-V939 HydrophobicContact CE1-CG2 3.59Å; F904-V939 HydrophobicContact CE2-CG2 4.31Å; F904-V939 HydrophobicContact CZ-CG1 4.2Å; F904-V939 HydrophobicContact CZ-CG2 3.74Å; F904-T942 PolarHBondContact N-O 3.19Å; F904-T942 PolarHBondContact O-N 2.98Å; F904-V944 HydrophobicContact CB-CG1 3.89Å; F904-V944 HydrophobicContact CB-CG2 3.94Å; F904-V950 HydrophobicContact CE1-CG1 4.4Å; F904-V965 HydrophobicContact CE1-CB 3.84Å; F904-V965 HydrophobicContact CE1-CG1 3.45Å; F904-V965 VanDerWaalsContact CE1-CG1 3.45Å; F904-V965 HydrophobicContact CE1-CG2 4.35Å; F904-V965 HydrophobicContact CZ-CB 3.88Å; F904-V965 HydrophobicContact CZ-CG1 3.72Å; F904-V965 HydrophobicContact CZ-CG2 3.87Å
905N88.9Confident91.2Very high1 Ų133 Ų331%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-125.7-17.6-174.571.3-2.7000114.3V817 S819 E823 T903 V939 P941V817-N905 PolarHBondContact O-N 2.95Å; V817-N905 VanDerWaalsContact O-N 3.13Å; V817-N905 PolarHBondContact O-OD1 3.44Å; S819-N905 VanDerWaalsContact C-ND2 3.3Å; S819-N905 PolarHBondContact N-ND2 3.44Å; S819-N905 PolarHBondContact N-OD1 3.24Å; S819-N905 PolarHBondContact O-ND2 2.66Å; E823-N905 HydrophobicContact CG-CB 4.48Å; E823-N905 VanDerWaalsContact OE1-CB 3.28Å; E823-N905 WeakPolarHBondContact OE1-CB 3.44Å; E823-N905 PolarHBondContact OE1-ND2 3.37Å; T903-N905 PolarHBondContact O-N 2.91Å; T903-N905 VanDerWaalsContact O-N 3.11Å; N905-V939 VanDerWaalsContact C-CG2 3.48Å; N905-V939 WeakPolarHBondContact O-CG2 3.29Å; N905-V939 PolarHBondContact O-N 3Å; N905-P941 HydrophobicContact CB-CB 4.18Å; N905-P941 HydrophobicContact CB-CG 4.16Å
906A89.6Confident91.1Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-150.4156.8173.800000113.8V817 L822 F904 A937 L938V817-A906 HydrophobicContact CG2-CB 3.85Å; V817-A906 WeakPolarHBondContact CG2-O 3.31Å; V817-A906 PolarHBondContact N-O 3.46Å; V817-A906 PolarHBondContact O-N 2.98Å; L822-A906 HydrophobicContact CD1-CB 3.55Å; F904-A906 VanDerWaalsContact CE2-O 3.26Å; F904-A906 WeakPolarHBondContact CE2-O 3.2Å; A906-A937 CarbonylContact C-O 3.57Å; A906-A937 WeakPolarHBondContact CA-O 3.27Å; A906-L938 HydrophobicContact CB-CG 4.37Å
907V90.1Very high90.6Very high0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-109.1112164.3-171.80000108.3C814 I815 L816 F904 A936 A937 V963 V965C814-V907 HydrophobicContact CB-CG1 3.77Å; I815-V907 WeakPolarHBondContact O-CA 3.21Å; L816-V907 HydrophobicContact CD2-CG1 4.45Å; L816-V907 HydrophobicContact CD2-CG2 3.87Å; F904-V907 HydrophobicContact CE2-CG2 3.82Å; F904-V907 HydrophobicContact CZ-CG2 3.72Å; V907-A936 CarbonylContact O-C 3.39Å; V907-A936 WeakPolarHBondContact O-CA 3.17Å; V907-A937 PolarHBondContact N-O 3.01Å; V907-A937 PolarHBondContact O-N 2.95Å; V907-V963 HydrophobicContact CB-CB 4.34Å; V907-V963 HydrophobicContact CB-CG1 4.36Å; V907-V963 HydrophobicContact CG1-CB 4.34Å; V907-V963 HydrophobicContact CG1-CG1 4.12Å; V907-V963 HydrophobicContact CG2-CG1 4.19Å; V907-V965 HydrophobicContact CG2-CG2 3.58Å
908V91.8Very high89.8Confident0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-81.3135.3170.1-171.60000108.5C814 I815 V817 L822 L856 L859 V934 A935 A936C814-V908 CarbonylContact C-O 3.53Å; C814-V908 VanDerWaalsContact CA-O 3.31Å; C814-V908 WeakPolarHBondContact CA-O 3.37Å; I815-V908 HydrophobicContact CG2-CB 4Å; I815-V908 PolarHBondContact N-O 3.25Å; I815-V908 PolarHBondContact O-N 3.48Å; I815-V908 VanDerWaalsContact O-N 3.07Å; V817-V908 HydrophobicContact CG1-CG2 3.87Å; V817-V908 HydrophobicContact CG2-CG2 3.92Å; L822-V908 HydrophobicContact CD1-CG2 4.48Å; L856-V908 HydrophobicContact CD1-CG1 4.13Å; L859-V908 HydrophobicContact CD2-CG2 4.27Å; V908-V934 HydrophobicContact CG1-CB 4.25Å; V908-V934 HydrophobicContact CG1-CG2 3.58Å; V908-A935 WeakPolarHBondContact CA-O 3.43Å; V908-A936 HydrophobicContact CG2-CB 4.1Å
909F91.3Very high88.6Confident2 Ų237.8 Ų37.81%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-135.9151.6-177.667.4-93.9000113.3G783 H813 V850 F911 A935 A937 V963G783-F909 WeakPolarHBondContact O-CE2 3.47Å; H813-F909 CarbonylContact O-C 3.59Å; H813-F909 WeakPolarHBondContact O-CA 3.39Å; H813-F909 WeakPolarHBondContact O-CB 3.4Å; V850-F909 HydrophobicContact CG1-CE1 4.45Å; V850-F909 HydrophobicContact CG1-CZ 4.4Å; F909-F911 HydrophobicContact CD2-CE2 4.47Å; F909-F911 HydrophobicContact CD2-CZ 4.41Å; F909-F911 HydrophobicContact CE2-CE2 4.5Å; F909-F911 HydrophobicContact CE2-CZ 4.37Å; F909-A935 WeakPolarHBondContact CD1-O 3.46Å; F909-A935 HydrophobicContact CE1-CB 3.93Å; F909-A935 HydrophobicContact CE2-CB 3.82Å; F909-A935 HydrophobicContact CZ-CB 3.49Å; F909-A935 VanDerWaalsContact CZ-CB 3.49Å; F909-A935 PolarHBondContact N-O 3.17Å; F909-A935 PolarHBondContact O-N 3.2Å; F909-A937 HydrophobicContact CD1-CB 4.46Å; F909-A937 HydrophobicContact CE1-CB 4.19Å; F909-V963 HydrophobicContact CD1-CG2 4.27Å
910W92.3Very high87.5Confident16 Ų1640.9 Ų40.96%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-152.9179.9179.467.496.8000109.9H813 I815 P867 H912 V934H813-W910 HydrophobicContact CB-CD2 3.92Å; H813-W910 VanDerWaalsContact CB-CE2 3.42Å; H813-W910 HydrophobicContact CB-CG 4.28Å; H813-W910 HydrophobicContact CB-CH2 4.38Å; H813-W910 HydrophobicContact CB-CZ2 3.7Å; H813-W910 PolarHBondContact N-O 3.44Å; H813-W910 PolarHBondContact O-N 3.35Å; I815-W910 HydrophobicContact CB-CH2 4.32Å; I815-W910 HydrophobicContact CB-CZ3 4.22Å; I815-W910 HydrophobicContact CG2-CH2 4.39Å; I815-W910 HydrophobicContact CG2-CZ3 3.89Å; P867-W910 HydrophobicContact CB-CH2 3.95Å; P867-W910 HydrophobicContact CB-CZ2 4.15Å; P867-W910 HydrophobicContact CG-CH2 4.28Å; W910-H912 AromaticContact CD1-CD2 3.69Å; W910-H912 AromaticContact CD1-NE2 3.69Å; W910-H912 AromaticContact NE1-CD2 3.5Å; W910-H912 PolarHBondContact NE1-CD2 3.26Å; W910-H912 AromaticContact NE1-CE1 4Å; W910-H912 AromaticContact NE1-NE2 3.01Å; W910-H912 PolarHBondContact NE1-NE2 3.16Å; W910-V934 HydrophobicContact CB-CG1 3.88Å
911F92.5Very high86.9Confident4 Ų437.4 Ų37.42%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-122.4141.7-174.3-55.3-90.5000111.7V779 L785 M810 E811 V812 F909 T925V779-F911 HydrophobicContact CB-CD2 4.33Å; V779-F911 HydrophobicContact CG1-CD2 3.52Å; V779-F911 HydrophobicContact CG1-CE2 3.87Å; V779-F911 HydrophobicContact CG1-CG 4.3Å; V779-F911 HydrophobicContact CG2-CB 3.84Å; V779-F911 HydrophobicContact CG2-CD1 4.25Å; V779-F911 HydrophobicContact CG2-CD2 3.76Å; V779-F911 HydrophobicContact CG2-CE2 4.4Å; V779-F911 HydrophobicContact CG2-CG 3.67Å; L785-F911 HydrophobicContact CB-CE1 4.23Å; L785-F911 HydrophobicContact CB-CZ 3.99Å; L785-F911 HydrophobicContact CD1-CE1 4.25Å; M810-F911 HydrophobicContact CE-CD1 4.26Å; M810-F911 HydrophobicContact CG-CB 4.17Å; M810-F911 HydrophobicContact CG-CD1 4.05Å; M810-F911 HydrophobicContact SD-CB 3.98Å; M810-F911 HydrophobicContact SD-CD1 3.6Å; M810-F911 VanDerWaalsContact SD-CD1 3.6Å; M810-F911 HydrophobicContact SD-CE1 4.42Å; M810-F911 HydrophobicContact SD-CG 4.02Å; E811-F911 CarbonylContact O-C 3.32Å; E811-F911 WeakPolarHBondContact O-CA 3.37Å; V812-F911 HydrophobicContact CG2-CD1 4.05Å; V812-F911 HydrophobicContact CG2-CE1 3.86Å; F909-F911 HydrophobicContact CD2-CE2 4.47Å; F909-F911 HydrophobicContact CD2-CZ 4.41Å; F909-F911 HydrophobicContact CE2-CE2 4.5Å; F909-F911 HydrophobicContact CE2-CZ 4.37Å; F911-T925 HydrophobicContact CB-CG2 4.03Å; F911-T925 PolarHBondContact N-OG1 2.99Å; F911-T925 PolarHBondContact O-N 3.28Å; F911-T925 PolarHBondContact O-OG1 3.47Å
912H94Very high86.7Confident35 Ų3533.5 Ų33.516%0.16221%0.213CC..EExtended strand (participates in β ladder)trans-109117.3165.8-71.3176.4000109.1M810 E811 H813 W910 F923 S924M810-H912 CarbonylContact C-O 3.58Å; M810-H912 WeakPolarHBondContact CA-O 3.42Å; E811-H912 HydrophobicContact CB-CB 4.28Å; E811-H912 PolarHBondContact N-O 3.41Å; E811-H912 PolarHBondContact O-N 2.94Å; H813-H912 AromaticContact CD2-CD2 4Å; H813-H912 AromaticContact CD2-CE1 3.7Å; H813-H912 AromaticContact CD2-CG 3.51Å; H813-H912 AromaticContact CD2-ND1 3.31Å; H813-H912 PolarHBondContact CD2-ND1 2.8Å; H813-H912 VanDerWaalsContact CD2-ND1 3.31Å; H813-H912 AromaticContact CE1-CE1 3.66Å; H813-H912 AromaticContact CE1-ND1 3.52Å; H813-H912 AromaticContact CG-CE1 3.71Å; H813-H912 AromaticContact CG-ND1 3.81Å; H813-H912 AromaticContact ND1-CE1 3.71Å; H813-H912 AromaticContact ND1-ND1 3.94Å; H813-H912 AromaticContact NE2-CE1 3.66Å; H813-H912 AromaticContact NE2-CG 3.71Å; H813-H912 AromaticContact NE2-ND1 3.1Å; H813-H912 PolarHBondContact NE2-ND1 2.87Å; W910-H912 AromaticContact CD1-CD2 3.69Å; W910-H912 AromaticContact CD1-NE2 3.69Å; W910-H912 AromaticContact NE1-CD2 3.5Å; W910-H912 PolarHBondContact NE1-CD2 3.26Å; W910-H912 AromaticContact NE1-CE1 4Å; W910-H912 AromaticContact NE1-NE2 3.01Å; W910-H912 PolarHBondContact NE1-NE2 3.16Å; H912-F923 CarbonylContact C-O 3.6Å; H912-F923 WeakPolarHBondContact CA-O 3.21Å; H912-S924 VanDerWaalsContact CD2-CB 3.48Å; H912-S924 WeakPolarHBondContact CD2-CB 3.16Å; H912-S924 PolarHBondContact CD2-OG 3.45Å; H912-S924 PolarHBondContact NE2-OG 2.92Å
913L93.6Very high86.7Confident0 Ų032.4 Ų32.40%020%0.202CC..EExtended strand (participates in β ladder)trans-88.9129174.2-53.6-174.7000109.5Y689 V779 P807 M810 C922 F923Y689-L913 HydrophobicContact CE2-CD1 4.48Å; V779-L913 HydrophobicContact CG2-CD2 4.25Å; P807-L913 HydrophobicContact CB-CB 4.14Å; P807-L913 HydrophobicContact CG-CB 4.07Å; P807-L913 HydrophobicContact CG-CD2 4.19Å; P807-L913 HydrophobicContact CG-CG 4.48Å; M810-L913 HydrophobicContact CB-CD2 4.1Å; M810-L913 HydrophobicContact CG-CD2 3.79Å; M810-L913 HydrophobicContact SD-CD2 3.55Å; M810-L913 VanDerWaalsContact SD-CD2 3.55Å; L913-C922 WeakPolarHBondContact O-CA 3.37Å; L913-F923 HydrophobicContact CB-CB 4.39Å; L913-F923 HydrophobicContact CD1-CD1 4.15Å; L913-F923 HydrophobicContact CG-CD1 4.34Å; L913-F923 PolarHBondContact N-O 3.45Å; L913-F923 PolarHBondContact O-N 2.84Å
914K92.1Very high86.8Confident50 Ų5030.3 Ų30.322%0.21719%0.19CC..EExtended strand (participates in β ladder)trans-139.6152.3-173.5-63.8-174.2-174.7178.60113P807 E808 C809 E811 C922P807-K914 WeakPolarHBondContact CB-O 3.35Å; E808-K914 PolarHBondContact N-O 2.88Å; C809-K914 PolarHBondContact N-O 3.4Å; C809-K914 PolarHBondContact O-N 2.76Å; C809-K914 VanDerWaalsContact O-O 3.08Å; E811-K914 WeakPolarHBondContact OE1-CE 3.38Å; E811-K914 IonicContact OE1-NZ 3.17Å; E811-K914 PolarHBondContact OE1-NZ 3.47Å; E811-K914 WeakPolarHBondContact OE2-CE 3.3Å; E811-K914 IonicContact OE2-NZ 3.57Å; E811-K914 PolarHBondContact OE2-NZ 2.96Å; K914-C922 VanDerWaalsContact CE-SG 3.5Å; K914-C922 HydrophobicContact CG-CB 4.1Å
915C89.5Confident86.9Confident2 Ų230 Ų301%0.01419%0.188CC..  trans-113.5102.3156.1-62.40000107.5F692 E808 S917 L918F692-C915 HydrophobicContact CD1-CB 3.91Å; F692-C915 WeakPolarHBondContact CD1-SG 3.25Å; F692-C915 HydrophobicContact CE1-CB 4.05Å; F692-C915 VanDerWaalsContact CG-SG 3.54Å; E808-C915 HydrophobicContact CB-CB 4.45Å; E808-C915 HydrophobicContact CG-CB 3.97Å; E808-C915 WeakPolarHBondContact OE2-CA 3.48Å; E808-C915 WeakPolarHBondContact OE2-CB 3.31Å; C915-S917 PolarHBondContact O-N 2.95Å; C915-S917 VanDerWaalsContact O-N 3.14Å; C915-L918 HydrophobicContact CB-CB 4.37Å; C915-L918 HydrophobicContact CB-CD1 4.4Å; C915-L918 CarbonylContact O-C 3.57Å; C915-L918 WeakPolarHBondContact O-CA 3.33Å; C915-L918 WeakPolarHBondContact O-CB 3.3Å; C915-L918 PolarHBondContact O-N 3.36Å; C915-L918 VanDerWaalsContact O-O 3.1Å
916P83Confident86.9Confident80 Ų8031.3 Ų31.352%0.51920%0.198SC..THydrogen-bonded Turntrans-57.7-20.2176.6-28.238.3000114.9E808 C809 L918E808-P916 WeakPolarHBondContact OE2-CD 3.34Å; C809-P916 WeakPolarHBondContact SG-CG 3.3Å; P916-L918 PolarHBondContact O-N 3.03Å
917S76.4Confident86.7Confident76 Ų7634.9 Ų34.953%0.53121%0.214SC..THydrogen-bonded Turntrans-61.4-19.7166.461.30000113.5E808 C915E808-S917 WeakPolarHBondContact OE1-CB 3.43Å; E808-S917 PolarHBondContact OE1-OG 3.45Å; E808-S917 WeakPolarHBondContact OE2-CB 3.32Å; E808-S917 PolarHBondContact OE2-N 3.21Å; E808-S917 PolarHBondContact OE2-OG 3.47Å; C915-S917 PolarHBondContact O-N 2.95Å; C915-S917 VanDerWaalsContact O-N 3.14Å
918L72.5Confident85.9Confident36 Ų3638.3 Ų38.319%0.18824%0.237CC..SBendtrans-110.889.4171.1-80.7168.7000110.6F692 A695 C915 P916 C920 V921F692-L918 HydrophobicContact CD1-CD1 3.83Å; A695-L918 HydrophobicContact CB-CD1 3.49Å; A695-L918 VanDerWaalsContact CB-CD1 3.49Å; A695-L918 HydrophobicContact CB-CD2 3.62Å; A695-L918 HydrophobicContact CB-CG 3.61Å; C915-L918 HydrophobicContact CB-CB 4.37Å; C915-L918 HydrophobicContact CB-CD1 4.4Å; C915-L918 CarbonylContact O-C 3.57Å; C915-L918 WeakPolarHBondContact O-CA 3.33Å; C915-L918 WeakPolarHBondContact O-CB 3.3Å; C915-L918 PolarHBondContact O-N 3.36Å; C915-L918 VanDerWaalsContact O-O 3.1Å; P916-L918 PolarHBondContact O-N 3.03Å; L918-C920 PolarHBondContact O-N 3.3Å; L918-V921 HydrophobicContact CB-CB 4.12Å; L918-V921 HydrophobicContact CB-CG2 4.11Å; L918-V921 HydrophobicContact CD1-CB 4.23Å; L918-V921 HydrophobicContact CD1-CG2 4.1Å; L918-V921 HydrophobicContact CD2-CG2 4.29Å; L918-V921 HydrophobicContact CG-CG2 4.44Å; L918-V921 PolarHBondContact O-N 3.24Å
919S67.8Low85.2Confident124 Ų12443 Ų4387%0.86727%0.266SS*.THydrogen-bonded Turntrans-59.4-1.7-174.8-39.40000116.4
920C70.7Confident84.8Confident117 Ų11743.6 Ų43.679%0.79127%0.27SS*.THydrogen-bonded Turntrans-132.83.6-176.1600000115.1L918L918-C920 PolarHBondContact O-N 3.3Å
921V80.8Confident84.7Confident21 Ų2143.7 Ų43.713%0.12727%0.27CS..  trans-116.8120.5-176.8-169.60000111.3T688 L691 F692 L918T688-V921 HydrophobicContact CG2-CG1 3.87Å; L691-V921 HydrophobicContact CB-CG1 4.12Å; L691-V921 HydrophobicContact CB-CG2 4.44Å; L691-V921 HydrophobicContact CD1-CG1 4.27Å; F692-V921 HydrophobicContact CD1-CB 4.3Å; F692-V921 HydrophobicContact CD1-CG1 3.84Å; F692-V921 HydrophobicContact CE1-CB 3.92Å; F692-V921 HydrophobicContact CE1-CG1 3.48Å; F692-V921 VanDerWaalsContact CE1-CG1 3.48Å; F692-V921 HydrophobicContact CZ-CG1 4.32Å; L918-V921 HydrophobicContact CB-CB 4.12Å; L918-V921 HydrophobicContact CB-CG2 4.11Å; L918-V921 HydrophobicContact CD1-CB 4.23Å; L918-V921 HydrophobicContact CD1-CG2 4.1Å; L918-V921 HydrophobicContact CD2-CG2 4.29Å; L918-V921 HydrophobicContact CG-CG2 4.44Å; L918-V921 PolarHBondContact O-N 3.24Å
922C88.8Confident84.5Confident55 Ų5544 Ų4437%0.37227%0.272SS..EExtended strand (participates in β ladder)trans-146.9140.7-178.3179.80000108.6L913 K914L913-C922 WeakPolarHBondContact O-CA 3.37Å; K914-C922 VanDerWaalsContact CE-SG 3.5Å; K914-C922 HydrophobicContact CG-CB 4.1Å
923F93.1Very high84.3Confident1 Ų145 Ų450%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-114.6125.1171175.3-93.8000109.3I684 L685 T688 H912 L913 T925 N930 F932I684-F923 HydrophobicContact CB-CE2 4.22Å; I684-F923 HydrophobicContact CG2-CD2 3.99Å; I684-F923 HydrophobicContact CG2-CE2 3.9Å; L685-F923 HydrophobicContact CB-CE2 3.83Å; L685-F923 HydrophobicContact CB-CZ 3.98Å; L685-F923 HydrophobicContact CD1-CD1 4.09Å; L685-F923 HydrophobicContact CD1-CD2 4.4Å; L685-F923 HydrophobicContact CD1-CE1 3.78Å; L685-F923 HydrophobicContact CD1-CE2 4.11Å; L685-F923 HydrophobicContact CD1-CG 4.39Å; L685-F923 HydrophobicContact CD1-CZ 3.78Å; L685-F923 HydrophobicContact CG-CZ 4.48Å; T688-F923 HydrophobicContact CG2-CB 3.77Å; H912-F923 CarbonylContact C-O 3.6Å; H912-F923 WeakPolarHBondContact CA-O 3.21Å; L913-F923 HydrophobicContact CB-CB 4.39Å; L913-F923 HydrophobicContact CD1-CD1 4.15Å; L913-F923 HydrophobicContact CG-CD1 4.34Å; L913-F923 PolarHBondContact N-O 3.45Å; L913-F923 PolarHBondContact O-N 2.84Å; F923-T925 HydrophobicContact CD1-CG2 4.4Å; F923-T925 HydrophobicContact CE1-CG2 4.06Å; F923-N930 HydrophobicContact CE2-CB 4.29Å; F923-N930 HydrophobicContact CZ-CB 4.06Å; F923-F932 AromaticContact CE1-CD2 3.71Å; F923-F932 HydrophobicContact CE1-CD2 3.71Å; F923-F932 AromaticContact CE1-CE2 3.49Å; F923-F932 HydrophobicContact CE1-CE2 3.49Å; F923-F932 VanDerWaalsContact CE1-CE2 3.49Å; F923-F932 AromaticContact CZ-CD2 3.82Å; F923-F932 HydrophobicContact CZ-CD2 3.82Å; F923-F932 AromaticContact CZ-CE2 3.74Å; F923-F932 HydrophobicContact CZ-CE2 3.74Å
924S93.5Very high84.2Confident9 Ų945.1 Ų45.16%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-99.4130.3174.3-177.30000111.9H912 S926 N930H912-S924 VanDerWaalsContact CD2-CB 3.48Å; H912-S924 WeakPolarHBondContact CD2-CB 3.16Å; H912-S924 PolarHBondContact CD2-OG 3.45Å; H912-S924 PolarHBondContact NE2-OG 2.92Å; S924-S926 PolarHBondContact O-N 2.97Å; S924-S926 PolarHBondContact OG-N 2.91Å; S924-S926 PolarHBondContact OG-OG 2.92Å; S924-N930 PolarHBondContact O-ND2 2.85Å
925T92.9Very high84Confident0 Ų042.7 Ų42.70%027%0.266CS..THydrogen-bonded Turntrans-76.819.7172750000113.3V779 F911 F923 F932V779-T925 HydrophobicContact CG1-CG2 4.22Å; V779-T925 HydrophobicContact CG2-CG2 4.48Å; F911-T925 HydrophobicContact CB-CG2 4.03Å; F911-T925 PolarHBondContact N-OG1 2.99Å; F911-T925 PolarHBondContact O-N 3.28Å; F911-T925 PolarHBondContact O-OG1 3.47Å; F923-T925 HydrophobicContact CD1-CG2 4.4Å; F923-T925 HydrophobicContact CE1-CG2 4.06Å; T925-F932 HydrophobicContact CG2-CB 4.46Å; T925-F932 HydrophobicContact CG2-CD1 4.13Å; T925-F932 HydrophobicContact CG2-CD2 4.07Å; T925-F932 HydrophobicContact CG2-CE1 4.42Å; T925-F932 HydrophobicContact CG2-CE2 4.35Å; T925-F932 HydrophobicContact CG2-CG 3.96Å
926S89.8Confident84Confident30 Ų3042.6 Ų42.621%0.2127%0.265CS..THydrogen-bonded Turntrans-118.13.1177.476.20000114S924S924-S926 PolarHBondContact O-N 2.97Å; S924-S926 PolarHBondContact OG-N 2.91Å; S924-S926 PolarHBondContact OG-OG 2.92Å
927E85.1Confident84Confident75 Ų7538.9 Ų38.935%0.3524%0.241SC..  trans-80.5117.3177.7-67.3167.8-149.700109.7T929 N930E927-T929 PolarHBondContact O-N 3.11Å; E927-N930 PolarHBondContact O-N 2.72Å; E927-N930 PolarHBondContact O-ND2 2.77Å; E927-N930 PolarHBondContact O-OD1 3.34Å
928C72.8Confident84.3Confident71 Ų7136.7 Ų36.748%0.4822%0.224SC..THydrogen-bonded Turntrans-68.69.1-171.8730000115.9N857N857-C928 HydrophobicContact CB-CB 4.33Å; N857-C928 WeakPolarHBondContact ND2-CB 3.45Å; N857-C928 PolarHBondContact ND2-SG 3.24Å
929T76.2Confident84.6Confident98 Ų9836.7 Ų36.760%0.60123%0.225SC*.THydrogen-bonded Turntrans-107.1-1.4174.745.40000112.5I684 E927I684-T929 VanDerWaalsContact CD1-OG1 3.24Å; I684-T929 WeakPolarHBondContact CD1-OG1 3.39Å; E927-T929 PolarHBondContact O-N 3.11Å
930N84.5Confident85.1Confident16 Ų1637 Ų379%0.08621%0.212CC..SBendtrans-106.4170.2175.282.640.5000110.5D682 F923 S924 E927 F932D682-N930 WeakPolarHBondContact OD2-CB 3.25Å; F923-N930 HydrophobicContact CE2-CB 4.29Å; F923-N930 HydrophobicContact CZ-CB 4.06Å; S924-N930 PolarHBondContact O-ND2 2.85Å; E927-N930 PolarHBondContact O-N 2.72Å; E927-N930 PolarHBondContact O-ND2 2.77Å; E927-N930 PolarHBondContact O-OD1 3.34Å; N930-F932 VanDerWaalsContact C-N 3.3Å; N930-F932 PolarHBondContact O-N 3.45Å; N930-F932 WeakPolarHBondContact OD1-CB 3.44Å; N930-F932 PolarHBondContact OD1-N 3.06Å
931H88.5Confident85.7Confident17 Ų1734.2 Ų34.28%0.07919%0.193CC..SBendtrans-82.7-2.5-172.180.8-71.5000114.7A678 L679 D682A678-H931 HydrophobicContact CB-CB 3.74Å; L679-H931 VanDerWaalsContact CD1-CE1 3.43Å; L679-H931 WeakPolarHBondContact CD1-CE1 3.37Å; D682-H931 HydrophobicContact CB-CB 4.43Å; D682-H931 IonicContact OD2-CE1 2.79Å; D682-H931 IonicContact OD2-CG 2.75Å; D682-H931 PolarHBondContact OD2-N 2.97Å; D682-H931 IonicContact OD2-ND1 3.17Å; D682-H931 PolarHBondContact OD2-ND1 3.44Å
932F89.9Confident85.9Confident12 Ų1235 Ų355%0.05320%0.198CC..PPolyproline II helixtrans-84.3137.3177.9-63.9-86.7000111.2L685 V779 S780 F923 T925 N930L685-F932 HydrophobicContact CD1-CE2 4.35Å; V779-F932 HydrophobicContact CB-CE1 3.95Å; V779-F932 HydrophobicContact CG1-CD1 3.96Å; V779-F932 HydrophobicContact CG1-CE1 3.88Å; S780-F932 WeakPolarHBondContact O-CD1 3.31Å; F923-F932 AromaticContact CE1-CD2 3.71Å; F923-F932 HydrophobicContact CE1-CD2 3.71Å; F923-F932 AromaticContact CE1-CE2 3.49Å; F923-F932 HydrophobicContact CE1-CE2 3.49Å; F923-F932 VanDerWaalsContact CE1-CE2 3.49Å; F923-F932 AromaticContact CZ-CD2 3.82Å; F923-F932 HydrophobicContact CZ-CD2 3.82Å; F923-F932 AromaticContact CZ-CE2 3.74Å; F923-F932 HydrophobicContact CZ-CE2 3.74Å; T925-F932 HydrophobicContact CG2-CB 4.46Å; T925-F932 HydrophobicContact CG2-CD1 4.13Å; T925-F932 HydrophobicContact CG2-CD2 4.07Å; T925-F932 HydrophobicContact CG2-CE1 4.42Å; T925-F932 HydrophobicContact CG2-CE2 4.35Å; T925-F932 HydrophobicContact CG2-CG 3.96Å; N930-F932 VanDerWaalsContact C-N 3.3Å; N930-F932 PolarHBondContact O-N 3.45Å; N930-F932 WeakPolarHBondContact OD1-CB 3.44Å; N930-F932 PolarHBondContact OD1-N 3.06Å
933K88.4Confident85.9Confident54 Ų5436.6 Ų36.624%0.23521%0.208CC..PPolyproline II helixtrans-95.9167162.1-40-60.8179.8-177.60108.2D506 S781 G783 E853 L854D506-K933 IonicContact OD2-NZ 3.07Å; D506-K933 PolarHBondContact OD2-NZ 3.02Å; D506-K933 VanDerWaalsContact OD2-NZ 3.17Å; S781-K933 PolarHBondContact O-N 2.91Å; G783-K933 WeakPolarHBondContact CA-O 3.46Å; G783-K933 PolarHBondContact N-O 3.24Å; E853-K933 HydrophobicContact CB-CG 4.4Å; E853-K933 HydrophobicContact CG-CG 4.47Å; L854-K933 WeakPolarHBondContact O-CB 3.17Å
934V91.4Very high85.7Confident3 Ų336.8 Ų36.82%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-101.5168.7173.7-53.60000111.1E853 L854 L856 V908 W910E853-V934 PolarHBondContact N-O 2.91Å; L854-V934 HydrophobicContact CB-CG2 3.97Å; L854-V934 WeakPolarHBondContact CB-O 3.41Å; L854-V934 PolarHBondContact N-O 2.91Å; L854-V934 WeakPolarHBondContact O-CG2 3.32Å; L854-V934 PolarHBondContact O-N 3.48Å; L856-V934 HydrophobicContact CB-CG1 4.42Å; L856-V934 HydrophobicContact CB-CG2 4.04Å; V908-V934 HydrophobicContact CG1-CB 4.25Å; V908-V934 HydrophobicContact CG1-CG2 3.58Å; W910-V934 HydrophobicContact CB-CG1 3.88Å
935A88.9Confident85.5Confident0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-125.5158.3175.800000111G783 E784 V850 Q851 V908 F909G783-A935 WeakPolarHBondContact O-CB 3.48Å; E784-A935 HydrophobicContact CG-CB 4.39Å; V850-A935 HydrophobicContact CG1-CB 4.44Å; Q851-A935 CarbonylContact O-C 3.56Å; Q851-A935 VanDerWaalsContact O-CA 3.3Å; Q851-A935 WeakPolarHBondContact O-CA 3.34Å; Q851-A935 WeakPolarHBondContact O-CB 3.47Å; V908-A935 WeakPolarHBondContact CA-O 3.43Å; F909-A935 WeakPolarHBondContact CD1-O 3.46Å; F909-A935 HydrophobicContact CE1-CB 3.93Å; F909-A935 HydrophobicContact CE2-CB 3.82Å; F909-A935 HydrophobicContact CZ-CB 3.49Å; F909-A935 VanDerWaalsContact CZ-CB 3.49Å; F909-A935 PolarHBondContact N-O 3.17Å; F909-A935 PolarHBondContact O-N 3.2Å
936A88.4Confident85.4Confident0 Ų047.2 Ų47.20%026%0.26CS..EExtended strand (participates in β ladder)trans-131.4124.3-179.400000111.6L822 V850 Q851 L854 V907 V908L822-A936 HydrophobicContact CD1-CB 3.73Å; L822-A936 HydrophobicContact CD2-CB 4.37Å; V850-A936 CarbonylContact C-O 3.58Å; V850-A936 VanDerWaalsContact CA-O 3.27Å; V850-A936 WeakPolarHBondContact CA-O 3.47Å; Q851-A936 PolarHBondContact N-O 2.7Å; Q851-A936 PolarHBondContact O-N 2.86Å; L854-A936 HydrophobicContact CD1-CB 3.54Å; V907-A936 CarbonylContact O-C 3.39Å; V907-A936 WeakPolarHBondContact O-CA 3.17Å; V908-A936 HydrophobicContact CG2-CB 4.1Å
937A84.6Confident85.1Confident2 Ų248.3 Ų48.32%0.01728%0.276CS..EExtended strand (participates in β ladder)trans-88.3119.6171.500000109.4S849 A906 V907 F909 V963S849-A937 WeakPolarHBondContact O-CA 3.24Å; A906-A937 CarbonylContact C-O 3.57Å; A906-A937 WeakPolarHBondContact CA-O 3.27Å; V907-A937 PolarHBondContact N-O 3.01Å; V907-A937 PolarHBondContact O-N 2.95Å; F909-A937 HydrophobicContact CD1-CB 4.46Å; F909-A937 HydrophobicContact CE1-CB 4.19Å; A937-V963 HydrophobicContact CB-CB 4.27Å
938L81.2Confident85.2Confident30 Ų3045.4 Ų45.416%0.15726%0.264CS..EExtended strand (participates in β ladder)trans-88.3152.2-176.8-6397.4000112.1L822 T826 S849 Q851 A906L822-L938 HydrophobicContact CB-CD2 4.17Å; T826-L938 HydrophobicContact CG2-CD1 4.03Å; T826-L938 HydrophobicContact CG2-CD2 4.1Å; T826-L938 WeakPolarHBondContact OG1-CD2 3.34Å; S849-L938 PolarHBondContact O-N 3Å; Q851-L938 HydrophobicContact CB-CD1 4.16Å; A906-L938 HydrophobicContact CB-CG 4.37Å
939V78.9Confident85.8Confident36 Ų3643.8 Ų43.822%0.21825%0.252CS..EExtended strand (participates in β ladder)trans-132.9168.8178.5-61.80000110.9F904 N905 P941 V965F904-V939 HydrophobicContact CD1-CG2 4Å; F904-V939 HydrophobicContact CE1-CB 4.45Å; F904-V939 HydrophobicContact CE1-CG1 4.34Å; F904-V939 HydrophobicContact CE1-CG2 3.59Å; F904-V939 HydrophobicContact CE2-CG2 4.31Å; F904-V939 HydrophobicContact CZ-CG1 4.2Å; F904-V939 HydrophobicContact CZ-CG2 3.74Å; N905-V939 VanDerWaalsContact C-CG2 3.48Å; N905-V939 WeakPolarHBondContact O-CG2 3.29Å; N905-V939 PolarHBondContact O-N 3Å; V939-P941 WeakPolarHBondContact O-CD 3.48Å; V939-V965 HydrophobicContact CG1-CB 4.42Å
940E78.2Confident86.1Confident129 Ų12939.3 Ų39.360%0.60322%0.224SC*.EExtended strand (participates in β ladder)trans-64.1122.6170.9-169.5177.4162.100109.5T942 R986E940-T942 PolarHBondContact O-N 2.66Å; E940-T942 PolarHBondContact O-OG1 2.84Å; E940-R986 IonicContact OE1-CZ 2.77Å; E940-R986 IonicContact OE1-NH1 3.18Å; E940-R986 PolarHBondContact OE1-NH1 3.47Å; E940-R986 IonicContact OE1-NH2 2.75Å; E940-R986 IonicContact OE2-NH1 2.63Å; E940-R986 PolarHBondContact OE2-NH1 2.99Å
941P84.6Confident85.8Confident60 Ų6040 Ų4039%0.3923%0.227SC..EExtended strand (participates in β ladder)trans-55.1112.8-172.7-29.536.7000112.9E823 T903 N905 V939E823-P941 VanDerWaalsContact OE1-CG 3.28Å; E823-P941 WeakPolarHBondContact OE1-CG 3.24Å; T903-P941 HydrophobicContact CG2-CB 3.69Å; N905-P941 HydrophobicContact CB-CB 4.18Å; N905-P941 HydrophobicContact CB-CG 4.16Å; V939-P941 WeakPolarHBondContact O-CD 3.48Å
942T85.2Confident85.2Confident38 Ų3839.2 Ų39.223%0.23322%0.224CC..EExtended strand (participates in β ladder)trans-119.8115.7-167.4-66.20000111.1F904 E940 V944F904-T942 PolarHBondContact N-O 3.19Å; F904-T942 PolarHBondContact O-N 2.98Å; E940-T942 PolarHBondContact O-N 2.66Å; E940-T942 PolarHBondContact O-OG1 2.84Å; T942-V944 HydrophobicContact CG2-CG1 4.44Å; T942-V944 PolarHBondContact O-N 3.48Å
943P88.7Confident84.2Confident87 Ų8741.3 Ų41.357%0.56523%0.232SC*.EExtended strand (participates in β ladder)trans-62.5122.1175.6-25.235000112.5R967P943-R967 PolarHBondContact O-NH1 3.12Å; P943-R967 PolarHBondContact O-NH2 2.68Å
944V88Confident83.1Confident6 Ų639.8 Ų39.84%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-120.7141.7179-66.60000111.8L864 V898 E901 G902 F904 T942 V950L864-V944 HydrophobicContact CD1-CG2 3.85Å; V898-V944 HydrophobicContact CG1-CB 4.14Å; V898-V944 HydrophobicContact CG1-CG2 3.87Å; V898-V944 HydrophobicContact CG2-CB 4.16Å; V898-V944 HydrophobicContact CG2-CG2 4.33Å; E901-V944 WeakPolarHBondContact CA-O 3.3Å; G902-V944 PolarHBondContact N-O 2.81Å; G902-V944 WeakPolarHBondContact O-CG2 3.33Å; G902-V944 PolarHBondContact O-N 3.47Å; F904-V944 HydrophobicContact CB-CG1 3.89Å; F904-V944 HydrophobicContact CB-CG2 3.94Å; T942-V944 HydrophobicContact CG2-CG1 4.44Å; T942-V944 PolarHBondContact O-N 3.48Å; V944-V950 HydrophobicContact CG1-CG2 4.34Å
945T89.6Confident81.2Confident75 Ų7541 Ų4146%0.4624%0.236SC..  trans-104.4148.517951.70000111V898 G947 S948V898-T945 WeakPolarHBondContact CG1-O 3.2Å; T945-G947 PolarHBondContact O-N 3.29Å; T945-S948 PolarHBondContact N-OG 3.25Å; T945-S948 VanDerWaalsContact O-CB 3.3Å; T945-S948 WeakPolarHBondContact O-CB 3.26Å; T945-S948 PolarHBondContact O-N 3.45Å; T945-S948 PolarHBondContact O-OG 3.49Å
946K89.7Confident79.1Confident152 Ų15243.5 Ų43.566%0.66125%0.253SS*.THydrogen-bonded Turntrans-56.4130174.5-178.5170.8-176.61730111T899T899-K946 VanDerWaalsContact O-CD 3.3Å; T899-K946 WeakPolarHBondContact O-CD 3.42Å; T899-K946 WeakPolarHBondContact O-CE 3.42Å; T899-K946 WeakPolarHBondContact O-CG 3.3Å
947G83.6Confident77.1Confident54 Ų5446.4 Ų46.456%0.55727%0.274SS*.THydrogen-bonded Turntrans89.4-11.7-175.900000115.1V898 T945V898-G947 PolarHBondContact O-N 2.88Å; T945-G947 PolarHBondContact O-N 3.29Å
948S88Confident75Confident13 Ų1348.2 Ų48.29%0.09128%0.282CS..  trans-68.7162.5171.467.50000112.1V898 T945V898-S948 WeakPolarHBondContact CB-O 3.44Å; V898-S948 PolarHBondContact N-O 2.86Å; T945-S948 PolarHBondContact N-OG 3.25Å; T945-S948 VanDerWaalsContact O-CB 3.3Å; T945-S948 WeakPolarHBondContact O-CB 3.26Å; T945-S948 PolarHBondContact O-N 3.45Å; T945-S948 PolarHBondContact O-OG 3.49Å
949T85.2Confident73Confident38 Ų3848.1 Ų48.123%0.23329%0.286CS..EExtended strand (participates in β ladder)trans-116.8146.3-178.447.20000112.8V895 V896 H897V895-T949 HydrophobicContact CG1-CG2 3.97Å; V896-T949 WeakPolarHBondContact O-CA 3.34Å; H897-T949 WeakPolarHBondContact ND1-CG2 3.4Å
950V82.5Confident71.3Confident3 Ų348.1 Ų48.12%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-134.8118.6-172.7173.60000108.1L816 V896 V898 F904 V944 A952 V965L816-V950 HydrophobicContact CD1-CB 3.87Å; L816-V950 HydrophobicContact CD1-CG1 3.76Å; L816-V950 HydrophobicContact CD1-CG2 4.2Å; L816-V950 HydrophobicContact CD2-CG1 4.5Å; V896-V950 PolarHBondContact N-O 3.09Å; V896-V950 PolarHBondContact O-N 2.97Å; V898-V950 HydrophobicContact CG2-CG2 3.64Å; F904-V950 HydrophobicContact CE1-CG1 4.4Å; V944-V950 HydrophobicContact CG1-CG2 4.34Å; V950-A952 PolarHBondContact O-N 3.49Å; V950-V965 HydrophobicContact CG1-CG1 3.08Å
951E79.5Confident69.5Low32 Ų3242.9 Ų42.915%0.1527%0.265CS..EExtended strand (participates in β ladder)trans-86.5103178.3-172.8-175.5-163.800109.1R893 V965 K966 L968R893-E951 WeakPolarHBondContact CD-OE1 3.03Å; R893-E951 IonicContact CZ-OE1 3.92Å; R893-E951 IonicContact NE-OE1 3.6Å; R893-E951 IonicContact NH1-OE1 3.86Å; R893-E951 PolarHBondContact NH1-OE1 2.67Å; R893-E951 VanDerWaalsContact NH1-OE1 3.11Å; E951-V965 CarbonylContact O-C 3.47Å; E951-V965 WeakPolarHBondContact O-CA 3.34Å; E951-K966 PolarHBondContact N-O 2.97Å; E951-K966 PolarHBondContact O-N 2.94Å; E951-L968 HydrophobicContact CB-CD1 4.13Å; E951-L968 HydrophobicContact CB-CG 4.29Å
952A74.1Confident67.6Low0 Ų040.8 Ų40.80%025%0.251CS..EExtended strand (participates in β ladder)trans-90.7132.6171.600000109.8F868 L870 R893 T894 V896 V950 V963 V965F868-A952 HydrophobicContact CE2-CB 4.04Å; F868-A952 HydrophobicContact CZ-CB 4.04Å; L870-A952 HydrophobicContact CD1-CB 4.22Å; R893-A952 CarbonylContact C-O 3.58Å; R893-A952 WeakPolarHBondContact CA-O 3.49Å; T894-A952 PolarHBondContact N-O 3.2Å; T894-A952 PolarHBondContact O-N 3.36Å; V896-A952 HydrophobicContact CG2-CB 4.29Å; V950-A952 PolarHBondContact O-N 3.49Å; A952-V963 HydrophobicContact CB-CG1 4.28Å; A952-V965 HydrophobicContact CB-CG2 4.11Å
953F69.6Low65.8Low55 Ų5539.1 Ų39.124%0.24124%0.241CC..EExtended strand (participates in β ladder)trans-140.6149.4-179.565.2-88.4000112.7L891 S892 R893 K964 K966L891-F953 HydrophobicContact CD2-CD2 4.44Å; S892-F953 CarbonylContact O-C 3.52Å; S892-F953 WeakPolarHBondContact O-CA 3.38Å; S892-F953 VanDerWaalsContact O-CB 3.29Å; S892-F953 WeakPolarHBondContact O-CB 3.47Å; R893-F953 HydrophobicContact CB-CB 4.31Å; R893-F953 HydrophobicContact CG-CB 3.92Å; F953-K964 WeakPolarHBondContact CD1-O 3.36Å; F953-K964 HydrophobicContact CD2-CB 4.28Å; F953-K964 HydrophobicContact CE1-CB 4.04Å; F953-K964 WeakPolarHBondContact CE1-O 3.49Å; F953-K964 HydrophobicContact CE2-CB 3.68Å; F953-K964 HydrophobicContact CZ-CB 3.54Å; F953-K964 PolarHBondContact N-O 3.35Å; F953-K964 PolarHBondContact O-N 2.89Å; F953-K964 VanDerWaalsContact O-O 3.12Å; F953-K966 HydrophobicContact CE1-CB 4.43Å
954L64.8Low63.8Low22 Ų2239 Ų3912%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-105.5125.4173.2-159.773.8000109.6L870 M871 L891 S892 V963L870-L954 HydrophobicContact CD2-CB 4.1Å; L870-L954 HydrophobicContact CD2-CD1 4.08Å; L870-L954 HydrophobicContact CG-CB 4.41Å; M871-L954 HydrophobicContact CG-CD2 4.38Å; M871-L954 HydrophobicContact SD-CD2 3.34Å; M871-L954 WeakPolarHBondContact SD-CD2 3.47Å; L891-L954 WeakPolarHBondContact CA-O 3.49Å; S892-L954 PolarHBondContact O-N 2.95Å; L954-V963 HydrophobicContact CD1-CG2 4.37Å
955S52.9Low62Low30 Ų3040.2 Ų40.221%0.2124%0.239CC..  trans-87.9122.4172.2-175.90000109.1S957S955-S957 PolarHBondContact O-N 2.78Å
956S44.4Very low60.1Low52 Ų5243 Ų4336%0.36425%0.245SC..  trans-72.392.8-174.860.10000112.8I888I888-S956 VanDerWaalsContact O-CB 3.31Å; I888-S956 WeakPolarHBondContact O-CB 3.48Å
957S45.2Very low58Low61 Ų6141.5 Ų41.543%0.42724%0.235SC..  trans-129.3129.2154.960.40000106.6R340 S955 A959R340-S957 PolarHBondContact NH1-OG 2.92Å; S955-S957 PolarHBondContact O-N 2.78Å; S957-A959 PolarHBondContact O-N 2.91Å; S957-A959 VanDerWaalsContact O-O 3.13Å
958L40.7Very low55.7Low39 Ų3942.2 Ų42.220%0.20423%0.226CC..SBendtrans-65.9-5-167.2-79.9164000116.2R787 L790 F887 I888R787-L958 VanDerWaalsContact CB-O 3.32Å; R787-L958 WeakPolarHBondContact CB-O 3.27Å; R787-L958 HydrophobicContact CG-CB 3.95Å; L790-L958 HydrophobicContact CD1-CD2 4.07Å; F887-L958 HydrophobicContact CD2-CD2 4.32Å; F887-L958 HydrophobicContact CE2-CD2 4.06Å; I888-L958 HydrophobicContact CD1-CD1 4.14Å; I888-L958 HydrophobicContact CG1-CD1 4.11Å; I888-L958 HydrophobicContact CG1-CD2 4.36Å; I888-L958 HydrophobicContact CG2-CD1 4.02Å; I888-L958 HydrophobicContact CG2-CG 4.44Å
959A39.8Very low52.9Low29 Ų2944.8 Ų44.824%0.2425%0.254CS..SBendtrans-92129.2167.600000110.5R340 R787 S957R340-A959 PolarHBondContact NH1-O 3.29Å; R787-A959 HydrophobicContact CB-CB 4.4Å; S957-A959 PolarHBondContact O-N 2.91Å; S957-A959 VanDerWaalsContact O-O 3.13Å
960I43.1Very low50.2Low36 Ų3648.4 Ų48.419%0.18528%0.276CS..  trans45.7114.3156.2-64.7162.5000116.1R340 E784 T962R340-I960 PolarHBondContact NH1-O 2.96Å; R340-I960 VanDerWaalsContact NH2-CB 3.34Å; R340-I960 PolarHBondContact NH2-O 3.3Å; E784-I960 HydrophobicContact CB-CG1 4.18Å; E784-I960 HydrophobicContact CG-CG1 4.33Å; E784-I960 HydrophobicContact CG-CG2 4.44Å; E784-I960 WeakPolarHBondContact OE1-CG2 3.31Å; E784-I960 WeakPolarHBondContact OE2-CD1 3.44Å; I960-T962 PolarHBondContact O-N 3.03Å
961G41.6Very low47.3Very low18 Ų1854 Ų5419%0.18631%0.314CS..  trans-70.292.1-177.200000114.7V963G961-V963 VanDerWaalsContact C-N 3.29Å; G961-V963 PolarHBondContact O-N 2.93Å
962T43.2Very low44.7Very low16 Ų1657.9 Ų57.910%0.09835%0.346CS..  trans-69.793.2155.563.20000107.7V850 I960 K964V850-T962 HydrophobicContact CG2-CG2 4.12Å; I960-T962 PolarHBondContact O-N 3.03Å; T962-K964 PolarHBondContact O-N 2.67Å; T962-K964 VanDerWaalsContact O-N 3.12Å
963V47.3Very low42.3Very low4 Ų467.1 Ų67.12%0.02439%0.389CS..EExtended strand (participates in β ladder)trans-64.4111.3167.6-173.50000106.8L870 V907 F909 A937 A952 L954 G961 V965L870-V963 HydrophobicContact CD2-CB 4.13Å; L870-V963 HydrophobicContact CD2-CG1 3.63Å; L870-V963 HydrophobicContact CD2-CG2 3.53Å; V907-V963 HydrophobicContact CB-CB 4.34Å; V907-V963 HydrophobicContact CB-CG1 4.36Å; V907-V963 HydrophobicContact CG1-CB 4.34Å; V907-V963 HydrophobicContact CG1-CG1 4.12Å; V907-V963 HydrophobicContact CG2-CG1 4.19Å; F909-V963 HydrophobicContact CD1-CG2 4.27Å; A937-V963 HydrophobicContact CB-CB 4.27Å; A952-V963 HydrophobicContact CB-CG1 4.28Å; L954-V963 HydrophobicContact CD1-CG2 4.37Å; G961-V963 VanDerWaalsContact C-N 3.29Å; G961-V963 PolarHBondContact O-N 2.93Å; V963-V965 HydrophobicContact CG1-CG2 4.16Å
964K48Very low40Very low85 Ų8569.4 Ų69.437%0.3742%0.418SS..EExtended strand (participates in β ladder)trans-101.5141.9178.2-67.1-163.9177.8-166.90108.5F953 T962F953-K964 WeakPolarHBondContact CD1-O 3.36Å; F953-K964 HydrophobicContact CD2-CB 4.28Å; F953-K964 HydrophobicContact CE1-CB 4.04Å; F953-K964 WeakPolarHBondContact CE1-O 3.49Å; F953-K964 HydrophobicContact CE2-CB 3.68Å; F953-K964 HydrophobicContact CZ-CB 3.54Å; F953-K964 PolarHBondContact N-O 3.35Å; F953-K964 PolarHBondContact O-N 2.89Å; F953-K964 VanDerWaalsContact O-O 3.12Å; T962-K964 PolarHBondContact O-N 2.67Å; T962-K964 VanDerWaalsContact O-N 3.12Å
965V50.2Low38.1Very low30 Ų3072.6 Ų72.618%0.18244%0.442CS..EExtended strand (participates in β ladder)trans-132.9134.6-167.2-176.50000109.8F904 V907 V939 V950 E951 A952 V963F904-V965 HydrophobicContact CE1-CB 3.84Å; F904-V965 HydrophobicContact CE1-CG1 3.45Å; F904-V965 VanDerWaalsContact CE1-CG1 3.45Å; F904-V965 HydrophobicContact CE1-CG2 4.35Å; F904-V965 HydrophobicContact CZ-CB 3.88Å; F904-V965 HydrophobicContact CZ-CG1 3.72Å; F904-V965 HydrophobicContact CZ-CG2 3.87Å; V907-V965 HydrophobicContact CG2-CG2 3.58Å; V939-V965 HydrophobicContact CG1-CB 4.42Å; V950-V965 HydrophobicContact CG1-CG1 3.08Å; E951-V965 CarbonylContact O-C 3.47Å; E951-V965 WeakPolarHBondContact O-CA 3.34Å; A952-V965 HydrophobicContact CB-CG2 4.11Å; V963-V965 HydrophobicContact CG1-CG2 4.16Å
966K49.7Very low36.8Very low134 Ų13478.3 Ų78.358%0.58347%0.466SS*.EExtended strand (participates in β ladder)trans-123.4129.7176.2-168177.6-179.5-176.20109.8E951 F953 L968E951-K966 PolarHBondContact N-O 2.97Å; E951-K966 PolarHBondContact O-N 2.94Å; F953-K966 HydrophobicContact CE1-CB 4.43Å; K966-L968 PolarHBondContact O-N 3.28Å
967R44.3Very low35.9Very low121 Ų12182.7 Ų82.746%0.45749%0.485SS..EExtended strand (participates in β ladder)trans-68.1127.8169.3-174.2179-173.5153.88.7109.1P943P943-R967 PolarHBondContact O-NH1 3.12Å; P943-R967 PolarHBondContact O-NH2 2.68Å
968L35.2Very low35Very low69 Ų6987.1 Ų87.136%0.36150%0.499SS..PPolyproline II helixtrans-90.8135.3163.8-69171.7000108E951 K966E951-L968 HydrophobicContact CB-CD1 4.13Å; E951-L968 HydrophobicContact CB-CG 4.29Å; K966-L968 PolarHBondContact O-N 3.28Å
969G30.6Very low34.3Very low66 Ų6693.1 Ų93.168%0.6852%0.523SS*.PPolyproline II helixtrans-65.7147.4179.400000111.5S971G969-S971 PolarHBondContact O-N 2.9Å
970V26.9Very low33.5Very low115 Ų115102.8 Ų102.870%0.69755%0.553SS**PPolyproline II helixtrans-63.3134.1166.5178.50000107.8S972V970-S972 PolarHBondContact O-N 3.16Å; V970-S972 VanDerWaalsContact O-N 3.17Å
971S23.4Very low32.5Very low119 Ų119108.1 Ų108.183%0.83258%0.582SS**  trans-68.1111.2-172.954.50000112.7G969G969-S971 PolarHBondContact O-N 2.9Å
972S23.8Very low31.6Very low115 Ų115113.6 Ų113.680%0.80461%0.612SS**  trans-125152.5156.555.80000109.2V970V970-S972 PolarHBondContact O-N 3.16Å; V970-S972 VanDerWaalsContact O-N 3.17Å
973E23.4Very low30.6Very low193 Ų193122.7 Ų122.790%0.90265%0.65SS**  trans-84.1147.4-157.5-60.8171123.800115
974A22.5Very low29.3Very low103 Ų103130.6 Ų130.685%0.85169%0.691SS**  trans53.2105.9152.300000121
975S24.6Very low28Very low90 Ų90135.2 Ų135.263%0.62971%0.714SS**  -148.7157.2115.676.20000109.8
976E25.7Very low26.8Very low150 Ų150143.1 Ų143.170%0.70174%0.741SS**SBendtrans-95.7-4.1179.1-125.4-164.9145.500114.7E978 K979E976-E978 PolarHBondContact O-N 2.84Å; E976-K979 IonicContact OE1-NZ 2.88Å; E976-K979 PolarHBondContact OE1-NZ 2.77Å
977D24.9Very low25.6Very low143 Ų143143 Ų14377%0.76575%0.752SS**G310 helixtrans-78.1-15.7-175.8-73.4-63.4000114.3K979D977-K979 PolarHBondContact O-N 2.86Å; D977-K979 VanDerWaalsContact O-N 3.07Å
978E25.8Very low24.5Very low154 Ų154143.3 Ų143.372%0.7277%0.772SS**G310 helixtrans-71.5-4.7-175-149172.1-140.900114E976 R980E976-E978 PolarHBondContact O-N 2.84Å; E978-R980 PolarHBondContact O-N 3.05Å; E978-R980 VanDerWaalsContact O-N 3.07Å
979K25.7Very low24.1Very low165 Ų165147.8 Ų147.872%0.71779%0.789SS**G310 helixtrans-72.29.3175.1-72.1173.1-175.1161.70114.7E976 D977E976-K979 IonicContact OE1-NZ 2.88Å; E976-K979 PolarHBondContact OE1-NZ 2.77Å; D977-K979 PolarHBondContact O-N 2.86Å; D977-K979 VanDerWaalsContact O-N 3.07Å
980R23.3Very low23.7Very low233 Ų233152.8 Ų152.888%0.87979%0.794SS**G310 helixtrans-127.9-6.7-176.9-87.5-175.2166.7179.9-3.7117.5E978E978-R980 PolarHBondContact O-N 3.05Å; E978-R980 VanDerWaalsContact O-N 3.07Å
981L21.8Very low23.5Very low148 Ų148156.6 Ų156.678%0.77580%0.804SS**SBendtrans-139.285.9-175.3-83.9145.3000111.7
982T22.5Very low23.4Very low133 Ų133155.3 Ų155.382%0.81680%0.795SS**  trans-178.463.1157.819.90000112
983F22.6Very low23.4Very low206 Ų206158.7 Ų158.790%0.90480%0.799SS**SBendtrans-151.345.7165-151.7-94.7000113.1
984L20.9Very low23.3Very low170 Ų170155.2 Ų155.289%0.8979%0.794SS**  trans-156.8161.8171-102.3156.1000107.3
985E21.1Very low23.3Very low183 Ų183159.1 Ų159.186%0.85580%0.795SS**  trans74.878-177.1-55.9-174.7178.500117.6
986R23.7Very low23.2Very low196 Ų196164.5 Ų164.574%0.7481%0.81SS**  trans-169.150.2138-110.4176.9178.8-152.70.7114.5E940E940-R986 IonicContact OE1-CZ 2.77Å; E940-R986 IonicContact OE1-NH1 3.18Å; E940-R986 PolarHBondContact OE1-NH1 3.47Å; E940-R986 IonicContact OE1-NH2 2.75Å; E940-R986 IonicContact OE2-NH1 2.63Å; E940-R986 PolarHBondContact OE2-NH1 2.99Å
987T24.5Very low23Very low132 Ų132162.4 Ų162.481%0.8182%0.818SS**  trans-143.965.3168.6430000111.1F989T987-F989 PolarHBondContact O-N 3.03Å
988S21.8Very low22.9Very low126 Ų126163.7 Ų163.788%0.88183%0.825SS**  trans-8168.6170.956.90000110.9
989F25.5Very low22.9Very low163 Ų163159.1 Ų159.172%0.71582%0.819SS**  trans-81.2146.6161.7-98.8-90.2000109.6P845 T987 Q991P845-F989 HydrophobicContact CB-CZ 4.13Å; P845-F989 HydrophobicContact CG-CZ 4.08Å; T987-F989 PolarHBondContact O-N 3.03Å; F989-Q991 PolarHBondContact O-N 2.85Å
990H22.3Very low22.8Very low171 Ų171160.9 Ų160.979%0.79283%0.827SS**  trans-67.6100.9177.3-88-80.1000111.1
991Q22.7Very low22.8Very low195 Ų195156.4 Ų156.491%0.91183%0.825SS**  trans-89.9102.4149-78.5-167.8-52.800108.8F989F989-Q991 PolarHBondContact O-N 2.85Å
992S23Very low22.9Very low92 Ų92152.5 Ų152.564%0.64382%0.821SS**  trans-117.5104.2155.854.20000107.5
993E22Very low22.9Very low187 Ų187150.9 Ų150.987%0.87482%0.821SS**SBendtrans64.5123.7167.6-56.4176.8-179.500115.8
994C22Very low23Very low119 Ų119146.1 Ų146.180%0.80481%0.813SS**  cis-159.3129.5-1.2-115.50000110
995E21.8Very low23.1Very low186 Ų186144 Ų14487%0.86981%0.808SS**  trans-171.3104.7146.2-117.6-179.4-148.500112.4
996Q23.2Very low23.2Very low203 Ų203141 Ų14195%0.94980%0.801SS**  trans-164.898.3145.2-121.3178.662.700113
997A22.2Very low23.2Very low106 Ų106136.5 Ų136.588%0.87680%0.8SS**  trans-152.294.2155.100000107.7
998N23.5Very low23Very low169 Ų169137.2 Ų137.290%0.90480%0.799SS**  trans-146.9140-178.5-157.3-14.8000112.5
999G24.9Very low23Very low58 Ų58140.2 Ų140.260%0.59880%0.799SS**  trans87.4142.3-174.900000114
1000K24.5Very low22.9Very low203 Ų203137.3 Ų137.388%0.88381%0.805SS**  cis-159.1162.82.3-75.2-166.4179.5176.60109.2
1001V21.8Very low22.7Very low138 Ų138132.9 Ų132.984%0.83678%0.782SS**  cis-165.8149.8-17.1135.40000107
1002G24.8Very low22.6Very low67 Ų67125.8 Ų125.869%0.69175%0.754SS**  trans146.598.7169.400000110.5
1003A22.9Very low22.5Very low98 Ų98124.5 Ų124.581%0.8174%0.742SS**  64.2134.751.300000111.9
1004S23.2Very low22.4Very low106 Ų106123.6 Ų123.674%0.74174%0.735SS**  cis-168.8159.18.442.30000107.9
1005T23.2Very low22.3Very low127 Ų127121.5 Ų121.578%0.77972%0.716SS**  cis-168.3-176.710.85.80000106.7
1006T23.8Very low22.3Very low118 Ų118121 Ų12172%0.72471%0.714SS**  cis-154.51414.525.10000104.4
1007S22.9Very low22.2Very low102 Ų102121 Ų12171%0.71371%0.711SS**  cis89.585.437.281.80000115.7
1008D20.5Very low22.1Very low147 Ų147122.2 Ų122.279%0.78670%0.703SS**  trans-72.4138.4154.5-111-35.5000110.4
1009Q23.2Very low22.2Very low189 Ų189120.7 Ų120.788%0.88369%0.694SS**  -176.6125.1127.1-102.61808.500110.6
1010A21.8Very low22Very low102 Ų102124.4 Ų124.484%0.84370%0.7SS**  trans-95.4155.8-179.400000112.5
1011Y19.6Very low21.9Very low79 Ų79122.1 Ų122.131%0.3170%0.697SS.*  trans-100.9125.5-169.5-81.9-83.7000115.9R254 P257 A296 Y297R254-Y1011 PolarHBondContact NE-O 2.93Å; P257-Y1011 HydrophobicContact CB-CE2 3.94Å; P257-Y1011 HydrophobicContact CG-CD2 3.92Å; P257-Y1011 HydrophobicContact CG-CE2 3.62Å; A296-Y1011 HydrophobicContact CB-CD1 4.21Å; A296-Y1011 HydrophobicContact CB-CE1 3.73Å; A296-Y1011 PolarHBondContact O-OH 3.48Å; Y297-Y1011 HydrophobicContact CD1-CD1 4.45Å; Y297-Y1011 AromaticContact CD1-CE1 3.55Å; Y297-Y1011 HydrophobicContact CD1-CE1 3.55Å; Y297-Y1011 AromaticContact CD1-CZ 3.7Å; Y297-Y1011 WeakPolarHBondContact CD1-OH 3.34Å; Y297-Y1011 HydrophobicContact CD2-CE1 4.37Å; Y297-Y1011 AromaticContact CE1-CD1 3.57Å; Y297-Y1011 HydrophobicContact CE1-CD1 3.57Å; Y297-Y1011 AromaticContact CE1-CE1 3.07Å; Y297-Y1011 HydrophobicContact CE1-CE1 3.07Å; Y297-Y1011 HydrophobicContact CE1-CE2 4.18Å; Y297-Y1011 HydrophobicContact CE1-CG 4.27Å; Y297-Y1011 AromaticContact CE1-CZ 3.42Å; Y297-Y1011 VanDerWaalsContact CE1-CZ 3.42Å; Y297-Y1011 HydrophobicContact CE2-CD1 4.2Å; Y297-Y1011 AromaticContact CE2-CE1 3.99Å; Y297-Y1011 HydrophobicContact CE2-CE1 3.99Å; Y297-Y1011 HydrophobicContact CG-CE1 4.18Å; Y297-Y1011 AromaticContact CZ-CD1 3.41Å; Y297-Y1011 VanDerWaalsContact CZ-CD1 3.41Å; Y297-Y1011 AromaticContact CZ-CE1 3.32Å; Y297-Y1011 WeakPolarHBondContact OH-CD1 3.49Å
1012C19.7Very low21.9Very low46 Ų46124.1 Ų124.131%0.31170%0.697SS.*  trans64.6162.6142.9-60.30000120.7R254R254-C1012 HydrophobicContact CG-CB 4.23Å; R254-C1012 PolarHBondContact NE-O 2.9Å; R254-C1012 PolarHBondContact NH2-O 2.8Å
1013T21Very low21.9Very low65 Ų65128.2 Ų128.240%0.39970%0.703SS.*  trans56.9148.2161.4107.60000118R254R254-T1013 PolarHBondContact NH1-OG1 2.9Å; R254-T1013 PolarHBondContact NH2-O 2.96Å; R254-T1013 PolarHBondContact NH2-OG1 3.12Å
1014F20.4Very low22Very low167 Ų167130.2 Ų130.273%0.73271%0.706SS**  cis-12714044.7-96-84.6000117.6
1015D19.6Very low22Very low76 Ų76132.6 Ų132.641%0.40672%0.715SS.*  trans-63.9144.6144.1-56.2-89.9000109.7R290R290-D1015 IonicContact CZ-OD1 3.8Å; R290-D1015 IonicContact CZ-OD2 2.7Å; R290-D1015 IonicContact NH1-OD1 2.86Å; R290-D1015 IonicContact NH1-OD2 2.78Å; R290-D1015 PolarHBondContact NH1-OD2 2.87Å; R290-D1015 VanDerWaalsContact NH2-CG 3.31Å; R290-D1015 IonicContact NH2-OD1 3.34Å; R290-D1015 PolarHBondContact NH2-OD1 2.89Å; R290-D1015 IonicContact NH2-OD2 3.74Å; R290-D1015 PolarHBondContact NH2-OD2 2.87Å
1016E21.1Very low22Very low176 Ų176129.4 Ų129.482%0.82271%0.708SS**  trans160.5108.4134.1-91.4176.7-168.800111.7
1017F21.6Very low22.1Very low201 Ų201131.9 Ų131.988%0.88272%0.716SS**  trans-152.175.7143.7-128.9-76.8000108.8L1019F1017-L1019 HydrophobicContact CE1-CD1 4.43Å
1018D20.8Very low22.2Very low132 Ų132131.2 Ų131.271%0.70671%0.711SS**  trans-87.3139.4166.5177.622.1000108.6
1019L24.1Very low22.5Very low138 Ų138130.8 Ų130.872%0.72370%0.704SS**  trans-156106.9167-119.6174.1000112.2F1017F1017-L1019 HydrophobicContact CE1-CD1 4.43Å
1020N21.4Very low22.9Very low135 Ų135127.1 Ų127.172%0.72269%0.687SS**  trans-61.5141164.7-76-102.7000110.3
1021L23Very low23.4Very low155 Ų155129.9 Ų129.981%0.81268%0.682SS**  trans-139.442.2174.7-129.9170.9000113.8
1022E21.7Very low24.1Very low180 Ų180132.2 Ų132.284%0.84169%0.694SS**  trans-107.198.7161.3-70.6-160.8144.200110.3
1023N23.8Very low24.7Very low154 Ų154134.1 Ų134.182%0.82470%0.701SS**  trans168.869.5143.7-96.7-68.2000113.4
1024T25Very low25.5Very low140 Ų140134 Ų13486%0.85971%0.706SS**  trans-160105146.370000112.1
1025V23.3Very low26.4Very low155 Ų155130.1 Ų130.194%0.93969%0.693SS**  trans-85.7114.1166.6175.70000108.2
1026G23.8Very low27.3Very low61 Ų61128.7 Ų128.763%0.62969%0.692SS**  trans-169.650-167.800000118.2C1028G1026-C1028 PolarHBondContact O-N 2.82Å
1027N25.1Very low28.1Very low169 Ų169124.2 Ų124.290%0.90467%0.673SS**SBendtrans37.863.4156.1-65.5-3.9000118.7
1028C25.2Very low29.1Very low88 Ų88120.1 Ų120.160%0.59565%0.654SS**  trans-155.516.3166.1-152.50000116.9G1026G1026-C1028 PolarHBondContact O-N 2.82Å
1029E27.1Very low30.1Very low139 Ų139118.8 Ų118.865%0.6565%0.647SS**  trans-121.775.3-167.5-59.5-162.3143.600113.7I1033E1029-I1033 HydrophobicContact CB-CD1 4.35Å
1030Q31.2Very low30.8Very low111 Ų111117.1 Ų117.152%0.51964%0.638SS.*SBendtrans-125.4-57.2166.9-72-83.5-101.500110.1R1198Q1030-R1198 VanDerWaalsContact OE1-CZ 3.23Å
1031E32.6Very low31.5Very low160 Ų160112.8 Ų112.875%0.74862%0.621SS**Hα-helixtrans-64.6-47.2179.7-65167130.700111.5I1033 A1034 D1035E1031-I1033 PolarHBondContact O-N 3.04Å; E1031-A1034 WeakPolarHBondContact O-CB 3.29Å; E1031-A1034 PolarHBondContact O-N 2.84Å; E1031-D1035 PolarHBondContact O-N 3.26Å
1032K34.1Very low32.4Very low128 Ų128109.5 Ų109.556%0.55760%0.604SS**Hα-helixtrans-57.2-27.2-178.7-65.4-175.9179.4179.30115.1A1036K1032-A1036 WeakPolarHBondContact O-CB 3.2Å; K1032-A1036 PolarHBondContact O-N 3.29Å
1033I33.8Very low33.1Very low87 Ų87104.4 Ų104.445%0.44659%0.589SS.*Hα-helixtrans-79.1-35.9178-62.6176.2000110.2E1029 E1031 I1037E1029-I1033 HydrophobicContact CB-CD1 4.35Å; E1031-I1033 PolarHBondContact O-N 3.04Å; I1033-I1037 HydrophobicContact CG2-CD1 3.87Å; I1033-I1037 WeakPolarHBondContact O-CB 3.46Å; I1033-I1037 WeakPolarHBondContact O-CD1 3.33Å; I1033-I1037 VanDerWaalsContact O-CG1 3.23Å; I1033-I1037 WeakPolarHBondContact O-CG1 3.42Å; I1033-I1037 PolarHBondContact O-N 3.42Å
1034A36.8Very low33.6Very low61 Ų61101.3 Ų101.350%0.50457%0.571SS.*Hα-helixtrans-66.5-44.8173.300000111.2E1031 K1038E1031-A1034 WeakPolarHBondContact O-CB 3.29Å; E1031-A1034 PolarHBondContact O-N 2.84Å; A1034-K1038 VanDerWaalsContact O-CB 3.31Å; A1034-K1038 WeakPolarHBondContact O-CB 3.42Å; A1034-K1038 PolarHBondContact O-N 2.89Å
1035D39.4Very low34.2Very low86 Ų86100.2 Ų100.246%0.4656%0.556SS.*Hα-helixtrans-65.5-46176.6-68.1-37.1000111.6E1031 I1037 K1038 D1039E1031-D1035 PolarHBondContact O-N 3.26Å; D1035-I1037 PolarHBondContact O-N 2.97Å; D1035-K1038 CarbonylContact O-C 3.57Å; D1035-K1038 WeakPolarHBondContact O-CB 3.44Å; D1035-K1038 PolarHBondContact O-N 3.36Å; D1035-K1038 VanDerWaalsContact O-N 3.11Å; D1035-D1039 WeakPolarHBondContact O-CB 3.46Å; D1035-D1039 PolarHBondContact O-N 2.85Å
1036A38.3Very low34.8Very low47 Ų4795.7 Ų95.739%0.38854%0.535SS..Hα-helixtrans-62.3-38.6177.800000113.3K1032 K1038 I1040K1032-A1036 WeakPolarHBondContact O-CB 3.2Å; K1032-A1036 PolarHBondContact O-N 3.29Å; A1036-K1038 VanDerWaalsContact C-N 3.34Å; A1036-I1040 WeakPolarHBondContact O-CB 3.17Å; A1036-I1040 WeakPolarHBondContact O-CD1 3.49Å; A1036-I1040 WeakPolarHBondContact O-CG1 3.36Å; A1036-I1040 PolarHBondContact O-N 3.22Å
1037I38.9Very low35Very low82 Ų8296.6 Ų96.642%0.42153%0.532SS..Hα-helixtrans-66.6-38.6174.7-71.7169.7000110.7I1033 D1035 A1041I1033-I1037 HydrophobicContact CG2-CD1 3.87Å; I1033-I1037 WeakPolarHBondContact O-CB 3.46Å; I1033-I1037 WeakPolarHBondContact O-CD1 3.33Å; I1033-I1037 VanDerWaalsContact O-CG1 3.23Å; I1033-I1037 WeakPolarHBondContact O-CG1 3.42Å; I1033-I1037 PolarHBondContact O-N 3.42Å; D1035-I1037 PolarHBondContact O-N 2.97Å; I1037-A1041 WeakPolarHBondContact O-CB 3.47Å; I1037-A1041 PolarHBondContact O-N 3.31Å
1038K41.3Very low35.4Very low115 Ų11593.4 Ų93.450%0.551%0.51SS..Hα-helixtrans-67.9-47.4177.3-176.2-171.7164.8-136.60111.9A1034 D1035 A1036 I1040 A1041 D1042A1034-K1038 VanDerWaalsContact O-CB 3.31Å; A1034-K1038 WeakPolarHBondContact O-CB 3.42Å; A1034-K1038 PolarHBondContact O-N 2.89Å; D1035-K1038 CarbonylContact O-C 3.57Å; D1035-K1038 WeakPolarHBondContact O-CB 3.44Å; D1035-K1038 PolarHBondContact O-N 3.36Å; D1035-K1038 VanDerWaalsContact O-N 3.11Å; A1036-K1038 VanDerWaalsContact C-N 3.34Å; K1038-I1040 VanDerWaalsContact C-N 3.28Å; K1038-I1040 PolarHBondContact O-N 3.1Å; K1038-A1041 CarbonylContact O-C 3.52Å; K1038-A1041 WeakPolarHBondContact O-CB 3.3Å; K1038-A1041 PolarHBondContact O-N 3.2Å; K1038-D1042 WeakPolarHBondContact O-CB 3.34Å; K1038-D1042 PolarHBondContact O-N 3.07Å
1039D41.5Very low35.7Very low103 Ų10391.9 Ų91.955%0.55150%0.504SS*.Hα-helixtrans-61.4-37.2177.2-70.2-13.6000111.4D1035 S1043D1035-D1039 WeakPolarHBondContact O-CB 3.46Å; D1035-D1039 PolarHBondContact O-N 2.85Å; D1039-S1043 WeakPolarHBondContact O-CB 3.35Å; D1039-S1043 PolarHBondContact O-N 3.06Å
1040I38.6Very low36.1Very low103 Ų10388.4 Ų88.453%0.52849%0.487SS..Hα-helixtrans-65.9-43.6171.5-71.5167.5000111A1036 K1038 I1044A1036-I1040 WeakPolarHBondContact O-CB 3.17Å; A1036-I1040 WeakPolarHBondContact O-CD1 3.49Å; A1036-I1040 WeakPolarHBondContact O-CG1 3.36Å; A1036-I1040 PolarHBondContact O-N 3.22Å; K1038-I1040 VanDerWaalsContact C-N 3.28Å; K1038-I1040 PolarHBondContact O-N 3.1Å; I1040-I1044 HydrophobicContact CG2-CD1 3.76Å; I1040-I1044 WeakPolarHBondContact O-CB 3.33Å; I1040-I1044 WeakPolarHBondContact O-CD1 3.35Å; I1040-I1044 WeakPolarHBondContact O-CG1 3.38Å; I1040-I1044 PolarHBondContact O-N 2.77Å
1041A37.4Very low36.1Very low45 Ų4587.1 Ų87.137%0.37248%0.484SS..Hα-helixtrans-66-41.817900000112.9I1037 K1038 I1044 H1045I1037-A1041 WeakPolarHBondContact O-CB 3.47Å; I1037-A1041 PolarHBondContact O-N 3.31Å; K1038-A1041 CarbonylContact O-C 3.52Å; K1038-A1041 WeakPolarHBondContact O-CB 3.3Å; K1038-A1041 PolarHBondContact O-N 3.2Å; A1041-I1044 PolarHBondContact O-N 3.23Å; A1041-H1045 PolarHBondContact O-N 2.76Å; A1041-H1045 PolarHBondContact O-ND1 3.18Å
1042D40.9Very low36Very low86 Ų8687.4 Ų87.446%0.4648%0.482SS..Hα-helixtrans-71.8-39.9178.3-75.1-27.4000110.9K1038 I1044 H1045 A1046K1038-D1042 WeakPolarHBondContact O-CB 3.34Å; K1038-D1042 PolarHBondContact O-N 3.07Å; D1042-I1044 PolarHBondContact O-N 3.46Å; D1042-H1045 PolarHBondContact O-N 3.14Å; D1042-H1045 VanDerWaalsContact O-N 3.16Å; D1042-A1046 WeakPolarHBondContact O-CB 3.5Å; D1042-A1046 PolarHBondContact O-N 3.43Å
1043S37.1Very low36Very low73 Ų7384.2 Ų84.251%0.5148%0.476SS..Hα-helixtrans-62.3-39.6171.3-179.80000112.7D1039 S1047D1039-S1043 WeakPolarHBondContact O-CB 3.35Å; D1039-S1043 PolarHBondContact O-N 3.06Å; S1043-S1047 WeakPolarHBondContact O-CB 3.22Å; S1043-S1047 PolarHBondContact O-N 2.88Å; S1043-S1047 PolarHBondContact O-OG 2.85Å
1044I35Very low35.8Very low88 Ų8883.4 Ų83.445%0.45147%0.473SS..Hα-helixtrans-66.8-39.1172.3-71.7168.2000110.9I1040 A1041 D1042 S1047 F1048I1040-I1044 HydrophobicContact CG2-CD1 3.76Å; I1040-I1044 WeakPolarHBondContact O-CB 3.33Å; I1040-I1044 WeakPolarHBondContact O-CD1 3.35Å; I1040-I1044 WeakPolarHBondContact O-CG1 3.38Å; I1040-I1044 PolarHBondContact O-N 2.77Å; A1041-I1044 PolarHBondContact O-N 3.23Å; D1042-I1044 PolarHBondContact O-N 3.46Å; I1044-S1047 PolarHBondContact O-N 2.99Å; I1044-F1048 HydrophobicContact CG2-CD2 4.12Å; I1044-F1048 HydrophobicContact CG2-CE2 4.49Å; I1044-F1048 WeakPolarHBondContact O-CB 3.41Å; I1044-F1048 PolarHBondContact O-N 3.19Å
1045H36.2Very low35.6Very low118 Ų11884 Ų8455%0.54646%0.464SS..Hα-helixtrans-67.3-41.6175.4-93.864.2000112.9A1041 D1042 S1047 F1048 A1049A1041-H1045 PolarHBondContact O-N 2.76Å; A1041-H1045 PolarHBondContact O-ND1 3.18Å; D1042-H1045 PolarHBondContact O-N 3.14Å; D1042-H1045 VanDerWaalsContact O-N 3.16Å; H1045-S1047 VanDerWaalsContact C-N 3.33Å; H1045-S1047 PolarHBondContact O-N 3.32Å; H1045-F1048 CarbonylContact O-C 3.45Å; H1045-F1048 PolarHBondContact O-N 2.78Å; H1045-A1049 PolarHBondContact O-N 3.15Å
1046A36Very low35.3Very low59 Ų5982.7 Ų82.749%0.48847%0.465SS..Hα-helixtrans-62.2-40.2174.100000111.7D1042 A1049D1042-A1046 WeakPolarHBondContact O-CB 3.5Å; D1042-A1046 PolarHBondContact O-N 3.43Å; A1046-A1049 WeakPolarHBondContact O-CB 3.41Å; A1046-A1049 PolarHBondContact O-N 2.72Å
1047S29.5Very low35Very low81 Ų8187.1 Ų87.157%0.56648%0.478SS*.Hα-helixtrans-63-42.1172.7-60.40000112.1S1043 I1044 H1045S1043-S1047 WeakPolarHBondContact O-CB 3.22Å; S1043-S1047 PolarHBondContact O-N 2.88Å; S1043-S1047 PolarHBondContact O-OG 2.85Å; I1044-S1047 PolarHBondContact O-N 2.99Å; H1045-S1047 VanDerWaalsContact C-N 3.33Å; H1045-S1047 PolarHBondContact O-N 3.32Å
1048F32.8Very low34.7Very low101 Ų10188.2 Ų88.244%0.44348%0.477SS..Hα-helixtrans-74.5-21.5177.5-98.8-87.3000114.5I1044 H1045 Q1050 L1051 K1052I1044-F1048 HydrophobicContact CG2-CD2 4.12Å; I1044-F1048 HydrophobicContact CG2-CE2 4.49Å; I1044-F1048 WeakPolarHBondContact O-CB 3.41Å; I1044-F1048 PolarHBondContact O-N 3.19Å; H1045-F1048 CarbonylContact O-C 3.45Å; H1045-F1048 PolarHBondContact O-N 2.78Å; F1048-Q1050 PolarHBondContact O-N 2.77Å; F1048-L1051 HydrophobicContact CD1-CB 4.32Å; F1048-L1051 HydrophobicContact CD1-CD2 4.11Å; F1048-L1051 HydrophobicContact CE1-CD2 3.78Å; F1048-L1051 PolarHBondContact O-N 2.99Å; F1048-L1051 VanDerWaalsContact O-N 3.16Å; F1048-K1052 WeakPolarHBondContact O-CB 3.4Å; F1048-K1052 PolarHBondContact O-N 2.84Å
1049A32.1Very low34.3Very low57 Ų5790.9 Ų90.947%0.47148%0.484SS..Hα-helixtrans-59.8-33176.900000112.3H1045 A1046 S1053H1045-A1049 PolarHBondContact O-N 3.15Å; A1046-A1049 WeakPolarHBondContact O-CB 3.41Å; A1046-A1049 PolarHBondContact O-N 2.72Å; A1049-S1053 PolarHBondContact O-N 3.17Å
1050Q34.9Very low34Very low65 Ų6592.4 Ų92.430%0.30449%0.488SS..Hα-helixtrans-65.4-52173-164.666.539.400111.2F1048 K1052 S1053 D1054F1048-Q1050 PolarHBondContact O-N 2.77Å; Q1050-K1052 PolarHBondContact O-N 3.36Å; Q1050-K1052 VanDerWaalsContact O-N 3.16Å; Q1050-S1053 VanDerWaalsContact O-CB 3.31Å; Q1050-S1053 WeakPolarHBondContact O-CB 3.32Å; Q1050-S1053 PolarHBondContact O-N 3.38Å; Q1050-D1054 PolarHBondContact O-N 2.96Å
1051L30.4Very low33.8Very low84 Ų8492.4 Ų92.444%0.4449%0.493SS..Hα-helixtrans-58.3-32.7-179.4-143.381.3000111.8F1048 S1053 D1054 F1055F1048-L1051 HydrophobicContact CD1-CB 4.32Å; F1048-L1051 HydrophobicContact CD1-CD2 4.11Å; F1048-L1051 HydrophobicContact CE1-CD2 3.78Å; F1048-L1051 PolarHBondContact O-N 2.99Å; F1048-L1051 VanDerWaalsContact O-N 3.16Å; L1051-S1053 VanDerWaalsContact C-N 3.32Å; L1051-S1053 PolarHBondContact O-N 3.24Å; L1051-D1054 PolarHBondContact O-N 2.84Å; L1051-F1055 WeakPolarHBondContact O-CB 3.5Å; L1051-F1055 PolarHBondContact O-N 3.33Å
1052K31.6Very low33.6Very low166 Ų16692.5 Ų92.572%0.72249%0.487SS*.Hα-helixtrans-67.9-26.2176.8-159.9178.2-174.6-178.40113.4F1048 Q1050 A1056F1048-K1052 WeakPolarHBondContact O-CB 3.4Å; F1048-K1052 PolarHBondContact O-N 2.84Å; Q1050-K1052 PolarHBondContact O-N 3.36Å; Q1050-K1052 VanDerWaalsContact O-N 3.16Å; K1052-A1056 PolarHBondContact O-N 3.02Å
1053S32.8Very low33.3Very low62 Ų6293.9 Ų93.943%0.43449%0.49SS..Hα-helixtrans-74.5-45.6172.1-174.50000111.2A1049 Q1050 L1051 F1055 A1056A1049-S1053 PolarHBondContact O-N 3.17Å; Q1050-S1053 VanDerWaalsContact O-CB 3.31Å; Q1050-S1053 WeakPolarHBondContact O-CB 3.32Å; Q1050-S1053 PolarHBondContact O-N 3.38Å; L1051-S1053 VanDerWaalsContact C-N 3.32Å; L1051-S1053 PolarHBondContact O-N 3.24Å; S1053-F1055 VanDerWaalsContact C-N 3.31Å; S1053-F1055 PolarHBondContact O-N 3.38Å; S1053-A1056 VanDerWaalsContact O-CB 3.22Å; S1053-A1056 WeakPolarHBondContact O-CB 3.37Å; S1053-A1056 PolarHBondContact O-N 3.02Å
1054D31.2Very low33.2Very low69 Ų6996.9 Ų96.937%0.36950%0.5SS..Hα-helixtrans-72.9-29.7-179-52.2-43.4000110.5Q1050 L1051 A1056 Y1058 R1384Q1050-D1054 PolarHBondContact O-N 2.96Å; L1051-D1054 PolarHBondContact O-N 2.84Å; D1054-A1056 VanDerWaalsContact C-N 3.25Å; D1054-A1056 PolarHBondContact O-N 3.38Å; D1054-Y1058 PolarHBondContact O-N 3.49Å; D1054-R1384 IonicContact OD1-NH1 3.3Å; D1054-R1384 PolarHBondContact OD1-NH1 2.97Å
1055F31.7Very low33.1Very low75 Ų7596.6 Ų96.633%0.32951%0.506SS..Hα-helixtrans-66.1-17.7166.1-111.9-82.1000114.6L1051 S1053 Y1058 R1059 T1222L1051-F1055 WeakPolarHBondContact O-CB 3.5Å; L1051-F1055 PolarHBondContact O-N 3.33Å; S1053-F1055 VanDerWaalsContact C-N 3.31Å; S1053-F1055 PolarHBondContact O-N 3.38Å; F1055-Y1058 HydrophobicContact CE1-CD1 4.47Å; F1055-Y1058 PolarHBondContact O-N 3.28Å; F1055-R1059 VanDerWaalsContact O-CB 3.25Å; F1055-R1059 WeakPolarHBondContact O-CB 3.46Å; F1055-R1059 PolarHBondContact O-N 3.11Å; F1055-T1222 HydrophobicContact CE1-CG2 4.48Å
1056A32.9Very low32.7Very low57 Ų5798 Ų9847%0.47151%0.51SS..Hα-helixtrans-69.7-44.1179.400000110.9K1052 S1053 D1054 R1059 E1060K1052-A1056 PolarHBondContact O-N 3.02Å; S1053-A1056 VanDerWaalsContact O-CB 3.22Å; S1053-A1056 WeakPolarHBondContact O-CB 3.37Å; S1053-A1056 PolarHBondContact O-N 3.02Å; D1054-A1056 VanDerWaalsContact C-N 3.25Å; D1054-A1056 PolarHBondContact O-N 3.38Å; A1056-R1059 PolarHBondContact O-N 2.91Å; A1056-E1060 PolarHBondContact O-N 3.33Å
1057Q31.9Very low32.5Very low141 Ų141103.6 Ų103.666%0.65952%0.524SS*.Hα-helixtrans-66.9-37.6173.2-69-178.2-2900111.6R1059 E1060 V1061Q1057-R1059 VanDerWaalsContact C-N 3.35Å; Q1057-R1059 PolarHBondContact O-N 3.4Å; Q1057-E1060 WeakPolarHBondContact O-CB 2.91Å; Q1057-E1060 PolarHBondContact O-N 2.95Å; Q1057-V1061 PolarHBondContact O-N 3.11Å
1058Y32.4Very low32.5Very low104 Ų104107.3 Ų107.341%0.40854%0.537SS..Hα-helixtrans-64.1-39.5174.3-153-99.7000112.2D1054 F1055 V1061 L1062 N1226D1054-Y1058 PolarHBondContact O-N 3.49Å; F1055-Y1058 HydrophobicContact CE1-CD1 4.47Å; F1055-Y1058 PolarHBondContact O-N 3.28Å; Y1058-V1061 PolarHBondContact O-N 3.48Å; Y1058-L1062 HydrophobicContact CD1-CD1 4.07Å; Y1058-L1062 HydrophobicContact CE1-CD1 3.91Å; Y1058-L1062 PolarHBondContact O-N 2.81Å; Y1058-L1062 VanDerWaalsContact O-N 3.11Å; Y1058-N1226 PolarHBondContact OH-ND2 2.9Å; Y1058-N1226 VanDerWaalsContact OH-ND2 3.17Å; Y1058-N1226 PolarHBondContact OH-OD1 3.24Å; Y1058-N1226 VanDerWaalsContact OH-OD1 3.06Å
1059R33.3Very low32.1Very low172 Ų172111.3 Ų111.365%0.64956%0.557SS**Hα-helixtrans-67.2-33.4174.6-178.4178.7-70-155.1-4.5112.4F1055 A1056 Q1057 V1061 L1062 E1063F1055-R1059 VanDerWaalsContact O-CB 3.25Å; F1055-R1059 WeakPolarHBondContact O-CB 3.46Å; F1055-R1059 PolarHBondContact O-N 3.11Å; A1056-R1059 PolarHBondContact O-N 2.91Å; Q1057-R1059 VanDerWaalsContact C-N 3.35Å; Q1057-R1059 PolarHBondContact O-N 3.4Å; R1059-V1061 VanDerWaalsContact C-N 3.32Å; R1059-V1061 PolarHBondContact O-N 3.5Å; R1059-L1062 CarbonylContact O-C 3.5Å; R1059-L1062 PolarHBondContact O-N 2.99Å; R1059-L1062 VanDerWaalsContact O-N 3.13Å; R1059-E1063 HydrophobicContact CG-CG 4.23Å; R1059-E1063 WeakPolarHBondContact O-CB 3.4Å; R1059-E1063 WeakPolarHBondContact O-CG 3.1Å; R1059-E1063 PolarHBondContact O-N 3.18Å
1060E35.4Very low32Very low134 Ų134113.6 Ų113.663%0.62657%0.567SS**Hα-helixtrans-62.8-39.6175.6-165.7164.8-147.500111.4A1056 Q1057 L1064A1056-E1060 PolarHBondContact O-N 3.33Å; Q1057-E1060 WeakPolarHBondContact O-CB 2.91Å; Q1057-E1060 PolarHBondContact O-N 2.95Å; E1060-L1064 WeakPolarHBondContact O-CG 3.33Å; E1060-L1064 PolarHBondContact O-N 3.34Å
1061V34.2Very low31.5Very low104 Ų104118.6 Ų118.663%0.6360%0.595SS**Hα-helixtrans-66.4-36.3171179.20000112.2Q1057 Y1058 R1059 L1064Q1057-V1061 PolarHBondContact O-N 3.11Å; Y1058-V1061 PolarHBondContact O-N 3.48Å; R1059-V1061 VanDerWaalsContact C-N 3.32Å; R1059-V1061 PolarHBondContact O-N 3.5Å; V1061-L1064 PolarHBondContact O-N 3.06Å
1062L33.2Very low31.5Very low46 Ų46117.6 Ų117.624%0.24161%0.605CS.*Hα-helixtrans-85.1-12.4-178.1-119.5157.7000114.9Y1058 R1059 S1065 K1066Y1058-L1062 HydrophobicContact CD1-CD1 4.07Å; Y1058-L1062 HydrophobicContact CE1-CD1 3.91Å; Y1058-L1062 PolarHBondContact O-N 2.81Å; Y1058-L1062 VanDerWaalsContact O-N 3.11Å; R1059-L1062 CarbonylContact O-C 3.5Å; R1059-L1062 PolarHBondContact O-N 2.99Å; R1059-L1062 VanDerWaalsContact O-N 3.13Å; L1062-S1065 PolarHBondContact O-OG 3.07Å; L1062-K1066 WeakPolarHBondContact O-CD 3.45Å; L1062-K1066 WeakPolarHBondContact O-CE 3.13Å; L1062-K1066 WeakPolarHBondContact O-CG 3.44Å
1063E35.7Very low31.4Very low116 Ų116115.5 Ų115.554%0.54261%0.606SS.*Hα-helixtrans-80.1-34.2165.6-79-82.4125.100110.6R1059 S1065 K1066R1059-E1063 HydrophobicContact CG-CG 4.23Å; R1059-E1063 WeakPolarHBondContact O-CB 3.4Å; R1059-E1063 WeakPolarHBondContact O-CG 3.1Å; R1059-E1063 PolarHBondContact O-N 3.18Å; E1063-S1065 VanDerWaalsContact C-N 3.31Å; E1063-S1065 PolarHBondContact O-N 3.38Å; E1063-K1066 PolarHBondContact O-N 2.84Å
1064L34.5Very low31.2Very low135 Ų135119.4 Ų119.471%0.70762%0.621SS**Hα-helixtrans-68.7-25.9177.7-72.9168.1000113.2E1060 V1061 K1066E1060-L1064 WeakPolarHBondContact O-CG 3.33Å; E1060-L1064 PolarHBondContact O-N 3.34Å; V1061-L1064 PolarHBondContact O-N 3.06Å; L1064-K1066 VanDerWaalsContact C-N 3.3Å; L1064-K1066 PolarHBondContact O-N 3Å
1065S31.7Very low31Very low83 Ų83122.5 Ų122.558%0.5864%0.637SS**THydrogen-bonded Turntrans-78.3-7.7174.862.90000114.6L1062 E1063L1062-S1065 PolarHBondContact O-OG 3.07Å; E1063-S1065 VanDerWaalsContact C-N 3.31Å; E1063-S1065 PolarHBondContact O-N 3.38Å
1066K29.2Very low30.8Very low146 Ų146124 Ų12464%0.63566%0.656SS**THydrogen-bonded Turntrans-10119.8-171.7-69.6-179.7-178.8179.30115.2L1062 E1063 L1064L1062-K1066 WeakPolarHBondContact O-CD 3.45Å; L1062-K1066 WeakPolarHBondContact O-CE 3.13Å; L1062-K1066 WeakPolarHBondContact O-CG 3.44Å; E1063-K1066 PolarHBondContact O-N 2.84Å; L1064-K1066 VanDerWaalsContact C-N 3.3Å; L1064-K1066 PolarHBondContact O-N 3Å
1067K30.1Very low30.6Very low177 Ų177130.6 Ų130.677%0.7768%0.677SS**SBendtrans-120.7122.7175.2-72.4177.9-178.9166.90110.7H1069K1067-H1069 PolarHBondContact O-N 3.29Å
1068D29.9Very low30.6Very low160 Ų160126.7 Ų126.786%0.85667%0.665SS**  trans-61.390.6-171.8-64-70.5000114.1
1069H25.6Very low30.7Very low184 Ų184125.9 Ų125.985%0.85267%0.673SS**  trans-145.5153.7157.7-87.6-42.9000113.1K1067K1067-H1069 PolarHBondContact O-N 3.29Å
1070P29.7Very low30.8Very low106 Ų106122.1 Ų122.169%0.68867%0.672SS**  trans-71.6152-167.7-18.533.3000114G1072P1070-G1072 PolarHBondContact O-N 2.94Å
1071L24.5Very low30.6Very low170 Ų170118.1 Ų118.189%0.8966%0.663SS**THydrogen-bonded Turntrans-60.44.4-173.5-14475.3000116.7
1072G29.8Very low30.7Very low62 Ų62115.9 Ų115.964%0.63965%0.649SS**THydrogen-bonded Turntrans-91.8-9.3-172.100000116.3P1070P1070-G1072 PolarHBondContact O-N 2.94Å
1073T29.8Very low31.1Very low122 Ų122117.9 Ų117.975%0.74866%0.66SS**SBendtrans-118-8.2-169.9-41.30000114.2L1075T1073-L1075 PolarHBondContact O-N 3.25Å
1074L28.5Very low31.6Very low144 Ų144119.1 Ų119.175%0.75466%0.66SS**THydrogen-bonded Turntrans-78.815.4-176.8-127.2154.4000114
1075L26.9Very low31.7Very low134 Ų134116.3 Ų116.370%0.70265%0.645SS**THydrogen-bonded Turntrans-90.94-171-82.4167.4000115.3T1073T1073-L1075 PolarHBondContact O-N 3.25Å
1076C28.1Very low32.1Very low108 Ų108118.3 Ų118.373%0.7364%0.643SS**SBendtrans-126.5-16.7-167.6-660000117.3
1077E27.7Very low32.8Very low195 Ų195112.9 Ų112.991%0.91162%0.623SS**SBendtrans-115.42.6-165.5-62.2-166.5158.300116.1
1078S32.3Very low33.2Very low59 Ų59105.3 Ų105.341%0.41359%0.591SS.*  trans-14889.1162.7-1740000111.7S1080S1078-S1080 VanDerWaalsContact C-N 3.32Å; S1078-S1080 PolarHBondContact O-N 2.89Å
1079P35.2Very low34.1Very low87 Ų8799.7 Ų99.757%0.56556%0.564SS**Hα-helixtrans-60.3-40.9177-24.434.7000112.5A1081 V1082 D1083P1079-A1081 PolarHBondContact O-N 2.92Å; P1079-V1082 PolarHBondContact O-N 2.86Å; P1079-D1083 VanDerWaalsContact O-CB 3.29Å; P1079-D1083 WeakPolarHBondContact O-CB 3.31Å; P1079-D1083 VanDerWaalsContact O-CG 3.32Å; P1079-D1083 PolarHBondContact O-N 3.23Å
1080S34.2Very low35.1Very low92 Ų9293.7 Ų93.764%0.64354%0.543SS*.Hα-helixtrans-64.2-35.9-170.652.30000114.4S1078 W1084S1078-S1080 VanDerWaalsContact C-N 3.32Å; S1078-S1080 PolarHBondContact O-N 2.89Å; S1080-W1084 WeakPolarHBondContact O-CB 3.23Å; S1080-W1084 PolarHBondContact O-N 2.94Å; S1080-W1084 VanDerWaalsContact O-N 3.1Å
1081A31.7Very low35.9Very low51 Ų5193.5 Ų93.542%0.42154%0.54SS..Hα-helixtrans-75.7-41.9-17900000112.1P1079 I1085P1079-A1081 PolarHBondContact O-N 2.92Å; A1081-I1085 PolarHBondContact O-N 3.09Å
1082V35.7Very low36.9Very low56 Ų5688.3 Ų88.334%0.33951%0.511SS..Hα-helixtrans-73.7-39-179.4175.10000111P1079 W1084 K1086P1079-V1082 PolarHBondContact O-N 2.86Å; V1082-W1084 VanDerWaalsContact C-N 3.35Å; V1082-K1086 HydrophobicContact CG1-CD 4.03Å; V1082-K1086 VanDerWaalsContact CG1-NZ 3.31Å; V1082-K1086 WeakPolarHBondContact O-CB 3.37Å; V1082-K1086 WeakPolarHBondContact O-CD 3.48Å; V1082-K1086 VanDerWaalsContact O-CG 3.25Å; V1082-K1086 WeakPolarHBondContact O-CG 3.29Å; V1082-K1086 PolarHBondContact O-N 3.11Å; V1082-K1086 VanDerWaalsContact O-N 3.12Å
1083D41.5Very low37.8Very low89 Ų8985.5 Ų85.548%0.47648%0.482SS..Hα-helixtrans-72.9-27.8175.9-67.1-20.1000112.1P1079 S1087P1079-D1083 VanDerWaalsContact O-CB 3.29Å; P1079-D1083 WeakPolarHBondContact O-CB 3.31Å; P1079-D1083 VanDerWaalsContact O-CG 3.32Å; P1079-D1083 PolarHBondContact O-N 3.23Å; D1083-S1087 VanDerWaalsContact O-CB 3.24Å; D1083-S1087 WeakPolarHBondContact O-CB 3.36Å; D1083-S1087 PolarHBondContact O-N 3.24Å; D1083-S1087 PolarHBondContact O-OG 3.26Å
1084W46Very low38.7Very low141 Ų14182.5 Ų82.553%0.53447%0.466SS..Hα-helixtrans-62.5-52.7171.5178.465.5000111.6S1080 V1082 K1086 S1087 L1088S1080-W1084 WeakPolarHBondContact O-CB 3.23Å; S1080-W1084 PolarHBondContact O-N 2.94Å; S1080-W1084 VanDerWaalsContact O-N 3.1Å; V1082-W1084 VanDerWaalsContact C-N 3.35Å; W1084-K1086 VanDerWaalsContact C-N 3.32Å; W1084-K1086 PolarHBondContact O-N 2.79Å; W1084-S1087 PolarHBondContact O-N 3.45Å; W1084-S1087 PolarHBondContact O-OG 3.19Å; W1084-L1088 PolarHBondContact O-N 3.15Å
1085I38.2Very low39.6Very low77 Ų7778.2 Ų78.240%0.39545%0.452SS..Hα-helixtrans-61.5-41178.3-63.5176.9000111.2A1081 S1087 L1088 E1233A1081-I1085 PolarHBondContact O-N 3.09Å; I1085-S1087 PolarHBondContact O-N 2.85Å; I1085-L1088 PolarHBondContact O-N 3.3Å; I1085-E1233 HydrophobicContact CG2-CG 4.1Å
1086K39.4Very low40.7Very low125 Ų12574.8 Ų74.854%0.54343%0.434SS..Hα-helixtrans-67.7-13.7175-70.8171-176.2168.20114.6V1082 W1084V1082-K1086 HydrophobicContact CG1-CD 4.03Å; V1082-K1086 VanDerWaalsContact CG1-NZ 3.31Å; V1082-K1086 WeakPolarHBondContact O-CB 3.37Å; V1082-K1086 WeakPolarHBondContact O-CD 3.48Å; V1082-K1086 VanDerWaalsContact O-CG 3.25Å; V1082-K1086 WeakPolarHBondContact O-CG 3.29Å; V1082-K1086 PolarHBondContact O-N 3.11Å; V1082-K1086 VanDerWaalsContact O-N 3.12Å; W1084-K1086 VanDerWaalsContact C-N 3.32Å; W1084-K1086 PolarHBondContact O-N 2.79Å
1087S44.3Very low42Very low31 Ų3171.3 Ų71.322%0.21741%0.408CS..Hα-helixtrans-95.1-10-179.669.40000114.4D1083 W1084 I1085 S1089D1083-S1087 VanDerWaalsContact O-CB 3.24Å; D1083-S1087 WeakPolarHBondContact O-CB 3.36Å; D1083-S1087 PolarHBondContact O-N 3.24Å; D1083-S1087 PolarHBondContact O-OG 3.26Å; W1084-S1087 PolarHBondContact O-N 3.45Å; W1084-S1087 PolarHBondContact O-OG 3.19Å; I1085-S1087 PolarHBondContact O-N 2.85Å; S1087-S1089 PolarHBondContact O-N 3.39Å
1088L38.1Very low43.2Very low19 Ų1969 Ų6910%0.09940%0.397CS..  trans-66.9127.1179.7-69.4167.2000111.3W1084 I1085 E1092 L1096 L1237W1084-L1088 PolarHBondContact O-N 3.15Å; I1085-L1088 PolarHBondContact O-N 3.3Å; L1088-E1092 HydrophobicContact CD2-CB 3.88Å; L1088-L1096 HydrophobicContact CD1-CD1 3.97Å; L1088-L1096 HydrophobicContact CD2-CD1 3.89Å; L1088-L1237 WeakPolarHBondContact O-CD1 3.36Å
1089S47.7Very low44.2Very low41 Ų4168.8 Ų68.829%0.28740%0.398SS..  trans-67.5160167.266.80000111.4S1087 T1091 E1092 A1093S1087-S1089 PolarHBondContact O-N 3.39Å; S1089-T1091 PolarHBondContact O-N 3.46Å; S1089-T1091 PolarHBondContact OG-OG1 3.4Å; S1089-E1092 WeakPolarHBondContact CB-OE2 3.46Å; S1089-E1092 PolarHBondContact N-OE2 2.71Å; S1089-E1092 PolarHBondContact O-N 3.01Å; S1089-E1092 WeakPolarHBondContact OG-CG 3.14Å; S1089-E1092 PolarHBondContact OG-N 2.89Å; S1089-E1092 VanDerWaalsContact OG-N 3.16Å; S1089-E1092 PolarHBondContact OG-OE2 3.47Å; S1089-A1093 WeakPolarHBondContact O-CB 3.33Å; S1089-A1093 PolarHBondContact O-N 2.85Å
1090S47.2Very low45.3Very low58 Ų5866.1 Ų66.141%0.40638%0.378SS..Hα-helixtrans-59.4-28.5174.256.10000112.8S1094S1090-S1094 VanDerWaalsContact O-CB 3.24Å; S1090-S1094 WeakPolarHBondContact O-CB 3.46Å; S1090-S1094 PolarHBondContact O-N 3.46Å; S1090-S1094 PolarHBondContact O-OG 3.31Å
1091T46.2Very low46.4Very low103 Ų10363.5 Ų63.563%0.63236%0.358SS*.Hα-helixtrans-65.8-46.6170.215.70000113S1089 S1094 A1095S1089-T1091 PolarHBondContact O-N 3.46Å; S1089-T1091 PolarHBondContact OG-OG1 3.4Å; T1091-S1094 PolarHBondContact O-N 3.28Å; T1091-A1095 WeakPolarHBondContact O-CB 3.18Å; T1091-A1095 PolarHBondContact O-N 2.95Å
1092E46.4Very low47.6Very low61 Ų6167.6 Ų67.629%0.28537%0.37SS..Hα-helixtrans-72.6-38.3179.6-69.1158.3112.700111.9L1088 S1089 S1094 A1095 L1096 L1370L1088-E1092 HydrophobicContact CD2-CB 3.88Å; S1089-E1092 WeakPolarHBondContact CB-OE2 3.46Å; S1089-E1092 PolarHBondContact N-OE2 2.71Å; S1089-E1092 PolarHBondContact O-N 3.01Å; S1089-E1092 WeakPolarHBondContact OG-CG 3.14Å; S1089-E1092 PolarHBondContact OG-N 2.89Å; S1089-E1092 VanDerWaalsContact OG-N 3.16Å; S1089-E1092 PolarHBondContact OG-OE2 3.47Å; E1092-S1094 VanDerWaalsContact C-N 3.32Å; E1092-S1094 PolarHBondContact O-N 2.66Å; E1092-A1095 PolarHBondContact O-N 2.76Å; E1092-L1096 WeakPolarHBondContact O-CB 3.24Å; E1092-L1096 WeakPolarHBondContact O-CG 3.3Å; E1092-L1096 PolarHBondContact O-N 3.27Å; E1092-L1370 WeakPolarHBondContact OE1-CD2 3.48Å
1093A48.1Very low48.6Very low2 Ų268.9 Ų68.92%0.01737%0.371CS..Hα-helixtrans-62.5-40.6172.300000111.1S1089 L1097 C1234 L1237S1089-A1093 WeakPolarHBondContact O-CB 3.33Å; S1089-A1093 PolarHBondContact O-N 2.85Å; A1093-L1097 VanDerWaalsContact O-CB 3.28Å; A1093-L1097 WeakPolarHBondContact O-CB 3.31Å; A1093-L1097 PolarHBondContact O-N 3.31Å; A1093-C1234 VanDerWaalsContact CB-SG 3.55Å; A1093-L1237 HydrophobicContact CB-CD1 3.89Å
1094S48.4Very low49.9Very low59 Ų5967.9 Ų67.941%0.41336%0.361SS..Hα-helixtrans-65.9-41.2172.4-60.40000112.2S1090 T1091 E1092 L1097 E1098S1090-S1094 VanDerWaalsContact O-CB 3.24Å; S1090-S1094 WeakPolarHBondContact O-CB 3.46Å; S1090-S1094 PolarHBondContact O-N 3.46Å; S1090-S1094 PolarHBondContact O-OG 3.31Å; T1091-S1094 PolarHBondContact O-N 3.28Å; E1092-S1094 VanDerWaalsContact C-N 3.32Å; E1092-S1094 PolarHBondContact O-N 2.66Å; S1094-L1097 WeakPolarHBondContact O-CB 3.38Å; S1094-L1097 PolarHBondContact O-N 2.9Å; S1094-E1098 WeakPolarHBondContact O-CG 3.1Å; S1094-E1098 PolarHBondContact O-N 2.94Å
1095A48.9Very low50.5Low55 Ų5569 Ų6946%0.45537%0.365SS..Hα-helixtrans-67.4-37178.200000112.5T1091 E1092 A1099T1091-A1095 WeakPolarHBondContact O-CB 3.18Å; T1091-A1095 PolarHBondContact O-N 2.95Å; E1092-A1095 PolarHBondContact O-N 2.76Å; A1095-A1099 VanDerWaalsContact O-CB 3.24Å; A1095-A1099 WeakPolarHBondContact O-CB 3.46Å; A1095-A1099 PolarHBondContact O-N 2.93Å
1096L49.4Very low51.5Low62 Ų6270 Ų7033%0.32537%0.371SS..Hα-helixtrans-67.1-39.8170.9-79.2164.7000111.7L1088 E1092 A1099 E1100 L1230L1088-L1096 HydrophobicContact CD1-CD1 3.97Å; L1088-L1096 HydrophobicContact CD2-CD1 3.89Å; E1092-L1096 WeakPolarHBondContact O-CB 3.24Å; E1092-L1096 WeakPolarHBondContact O-CG 3.3Å; E1092-L1096 PolarHBondContact O-N 3.27Å; L1096-A1099 PolarHBondContact O-N 2.96Å; L1096-E1100 PolarHBondContact O-N 3.32Å; L1096-L1230 HydrophobicContact CB-CD1 4.17Å; L1096-L1230 HydrophobicContact CB-CD2 3.94Å
1097L55.3Low52.5Low35 Ų3564.8 Ų64.818%0.18335%0.35CS..Hα-helixtrans-64.7-42.4174.7-17272.2000111.5A1093 S1094 T1101 L1227 L1230 K1231A1093-L1097 VanDerWaalsContact O-CB 3.28Å; A1093-L1097 WeakPolarHBondContact O-CB 3.31Å; A1093-L1097 PolarHBondContact O-N 3.31Å; S1094-L1097 WeakPolarHBondContact O-CB 3.38Å; S1094-L1097 PolarHBondContact O-N 2.9Å; L1097-T1101 WeakPolarHBondContact O-CB 3.2Å; L1097-T1101 PolarHBondContact O-N 3.18Å; L1097-T1101 PolarHBondContact O-OG1 3.42Å; L1097-L1227 HydrophobicContact CD1-CD2 3.98Å; L1097-L1227 HydrophobicContact CD1-CG 3.82Å; L1097-L1230 HydrophobicContact CD1-CB 3.81Å; L1097-K1231 HydrophobicContact CD1-CG 3.9Å; L1097-K1231 HydrophobicContact CD2-CG 4.28Å
1098E52.7Low53.4Low147 Ų14766 Ų6669%0.68735%0.352SS*.Hα-helixtrans-64.4-41.1172.3-76.7-164.2143.600111.8S1094 T1101 M1102S1094-E1098 WeakPolarHBondContact O-CG 3.1Å; S1094-E1098 PolarHBondContact O-N 2.94Å; E1098-T1101 PolarHBondContact O-N 3.14Å; E1098-M1102 VanDerWaalsContact O-CB 3.26Å; E1098-M1102 WeakPolarHBondContact O-CB 3.31Å; E1098-M1102 PolarHBondContact O-N 3.45Å
1099A52.6Low54.4Low54 Ų5474.7 Ų74.745%0.44638%0.384SS..Hα-helixtrans-62.6-50178.500000111.9A1095 L1096 M1102 K1103A1095-A1099 VanDerWaalsContact O-CB 3.24Å; A1095-A1099 WeakPolarHBondContact O-CB 3.46Å; A1095-A1099 PolarHBondContact O-N 2.93Å; L1096-A1099 PolarHBondContact O-N 2.96Å; A1099-M1102 PolarHBondContact O-N 2.77Å; A1099-K1103 VanDerWaalsContact O-CB 3.28Å; A1099-K1103 WeakPolarHBondContact O-CB 3.47Å; A1099-K1103 PolarHBondContact O-N 3.23Å
1100E59.3Low54.9Low31 Ų3177.7 Ų77.715%0.14539%0.391CS..Hα-helixtrans-70-31.8175.3-76.1-63.4159.400112.4L1096 M1102 K1103 R1104L1096-E1100 PolarHBondContact O-N 3.32Å; E1100-M1102 VanDerWaalsContact C-N 3.35Å; E1100-M1102 PolarHBondContact O-N 3.37Å; E1100-K1103 PolarHBondContact O-N 3.44Å; E1100-K1103 WeakPolarHBondContact OE1-CD 3.43Å; E1100-K1103 IonicContact OE1-NZ 2.68Å; E1100-K1103 PolarHBondContact OE1-NZ 2.74Å; E1100-K1103 WeakPolarHBondContact OE2-CD 3.4Å; E1100-K1103 IonicContact OE2-NZ 3.91Å; E1100-K1103 PolarHBondContact OE2-NZ 3.38Å; E1100-R1104 VanDerWaalsContact O-CB 3.24Å; E1100-R1104 WeakPolarHBondContact O-CB 3.31Å; E1100-R1104 PolarHBondContact O-N 3.26Å
1101T56.5Low55.9Low36 Ų3675.8 Ų75.822%0.22138%0.377CS..Hα-helixtrans-63.3-41.3170.6-59.50000111.5L1097 E1098 R1105 L1227L1097-T1101 WeakPolarHBondContact O-CB 3.2Å; L1097-T1101 PolarHBondContact O-N 3.18Å; L1097-T1101 PolarHBondContact O-OG1 3.42Å; E1098-T1101 PolarHBondContact O-N 3.14Å; T1101-R1105 WeakPolarHBondContact O-CB 3.47Å; T1101-R1105 VanDerWaalsContact O-CG 3.28Å; T1101-R1105 WeakPolarHBondContact O-CG 3.44Å; T1101-R1105 PolarHBondContact O-N 3.08Å; T1101-L1227 WeakPolarHBondContact OG1-CD1 3.38Å
1102M57.1Low56.7Low137 Ų13776.5 Ų76.568%0.67538%0.376SS*.Hα-helixtrans-70-40.8177-175.1175.3-72.200111.2E1098 A1099 E1100 R1105 L1106E1098-M1102 VanDerWaalsContact O-CB 3.26Å; E1098-M1102 WeakPolarHBondContact O-CB 3.31Å; E1098-M1102 PolarHBondContact O-N 3.45Å; A1099-M1102 PolarHBondContact O-N 2.77Å; E1100-M1102 VanDerWaalsContact C-N 3.35Å; E1100-M1102 PolarHBondContact O-N 3.37Å; M1102-R1105 PolarHBondContact O-N 3.38Å; M1102-L1106 WeakPolarHBondContact O-CB 3.42Å; M1102-L1106 PolarHBondContact O-N 3.13Å
1103K57.5Low57.4Low83 Ų8378.4 Ų78.436%0.36139%0.388SS..Hα-helixtrans-63.1-46.1176.1-162.6-162-159.3-178.50111.3A1099 E1100 L1106 C1107A1099-K1103 VanDerWaalsContact O-CB 3.28Å; A1099-K1103 WeakPolarHBondContact O-CB 3.47Å; A1099-K1103 PolarHBondContact O-N 3.23Å; E1100-K1103 PolarHBondContact O-N 3.44Å; E1100-K1103 WeakPolarHBondContact OE1-CD 3.43Å; E1100-K1103 IonicContact OE1-NZ 2.68Å; E1100-K1103 PolarHBondContact OE1-NZ 2.74Å; E1100-K1103 WeakPolarHBondContact OE2-CD 3.4Å; E1100-K1103 IonicContact OE2-NZ 3.91Å; E1100-K1103 PolarHBondContact OE2-NZ 3.38Å; K1103-L1106 WeakPolarHBondContact O-CB 3.45Å; K1103-L1106 PolarHBondContact O-N 2.77Å; K1103-C1107 PolarHBondContact O-N 3.23Å; K1103-C1107 PolarHBondContact O-SG 2.85Å
1104R68.9Low58.1Low68 Ų6879.4 Ų79.426%0.25739%0.393SS..Hα-helixtrans-52.5-57.2169.7178-159.4163120.618.9110.4E1100 L1106 C1107 E1108 A1223 E1224E1100-R1104 VanDerWaalsContact O-CB 3.24Å; E1100-R1104 WeakPolarHBondContact O-CB 3.31Å; E1100-R1104 PolarHBondContact O-N 3.26Å; R1104-L1106 PolarHBondContact O-N 3.06Å; R1104-C1107 CarbonylContact O-C 3.6Å; R1104-C1107 WeakPolarHBondContact O-CA 3.13Å; R1104-C1107 WeakPolarHBondContact O-CB 3.36Å; R1104-C1107 PolarHBondContact O-N 3.01Å; R1104-E1108 HydrophobicContact CG-CG 4.32Å; R1104-E1108 IonicContact CZ-OE1 3.58Å; R1104-E1108 VanDerWaalsContact NE-CD 3.33Å; R1104-E1108 IonicContact NE-OE1 2.74Å; R1104-E1108 PolarHBondContact NE-OE1 3.39Å; R1104-E1108 IonicContact NE-OE2 2.66Å; R1104-E1108 PolarHBondContact NE-OE2 3.26Å; R1104-E1108 IonicContact NH2-OE1 3.63Å; R1104-E1108 PolarHBondContact NH2-OE1 3.03Å; R1104-E1108 WeakPolarHBondContact O-CG 3.29Å; R1104-E1108 PolarHBondContact O-N 3.16Å; R1104-A1223 HydrophobicContact CB-CB 4.31Å; R1104-E1224 IonicContact CZ-OE1 3.73Å; R1104-E1224 VanDerWaalsContact CZ-OE1 3.24Å; R1104-E1224 IonicContact NH1-OE1 2.72Å; R1104-E1224 PolarHBondContact NH1-OE1 3.05Å; R1104-E1224 IonicContact NH2-OE1 3.44Å; R1104-E1224 PolarHBondContact NH2-OE1 3.4Å
1105R58.7Low59Low164 Ų16480.8 Ų80.862%0.61939%0.393SS*.Hα-helixtrans-57.7-33.6179.1-73.9173.6-178.1178.12.9113.4T1101 M1102 E1108 R1109T1101-R1105 WeakPolarHBondContact O-CB 3.47Å; T1101-R1105 VanDerWaalsContact O-CG 3.28Å; T1101-R1105 WeakPolarHBondContact O-CG 3.44Å; T1101-R1105 PolarHBondContact O-N 3.08Å; M1102-R1105 PolarHBondContact O-N 3.38Å; R1105-E1108 WeakPolarHBondContact CA-OE2 3.32Å; R1105-R1109 WeakPolarHBondContact O-CB 3.44Å; R1105-R1109 PolarHBondContact O-N 3.09Å
1106L59.2Low59.4Low100 Ų10081.5 Ų81.552%0.52439%0.394SS..Hα-helixtrans-71.4-37.7176.1-152.389.3000111.8M1102 K1103 R1104 K1110M1102-L1106 WeakPolarHBondContact O-CB 3.42Å; M1102-L1106 PolarHBondContact O-N 3.13Å; K1103-L1106 WeakPolarHBondContact O-CB 3.45Å; K1103-L1106 PolarHBondContact O-N 2.77Å; R1104-L1106 PolarHBondContact O-N 3.06Å; L1106-K1110 WeakPolarHBondContact O-CB 3.38Å; L1106-K1110 WeakPolarHBondContact O-CG 3.41Å; L1106-K1110 PolarHBondContact O-N 3.38Å
1107C59.3Low60Low14 Ų1483.1 Ų83.110%0.09540%0.4CS..Hα-helixtrans-71.3-42.1174.5-59.60000111.2K1103 R1104 K1110 L1111 I1220K1103-C1107 PolarHBondContact O-N 3.23Å; K1103-C1107 PolarHBondContact O-SG 2.85Å; R1104-C1107 CarbonylContact O-C 3.6Å; R1104-C1107 WeakPolarHBondContact O-CA 3.13Å; R1104-C1107 WeakPolarHBondContact O-CB 3.36Å; R1104-C1107 PolarHBondContact O-N 3.01Å; C1107-K1110 CarbonylContact O-C 3.59Å; C1107-K1110 PolarHBondContact O-N 3.4Å; C1107-K1110 VanDerWaalsContact O-N 3.16Å; C1107-L1111 WeakPolarHBondContact O-CB 3.36Å; C1107-L1111 PolarHBondContact O-N 2.97Å; C1107-I1220 HydrophobicContact CB-CD1 4.19Å; C1107-I1220 HydrophobicContact CB-CG1 3.61Å
1108E63Low60.6Low57 Ų5782.2 Ų82.227%0.26640%0.395SS..Hα-helixtrans-58.7-46.7173.1-71.7170.2143.100111.4R1104 R1105 K1110 L1111 L1112 I1220R1104-E1108 HydrophobicContact CG-CG 4.32Å; R1104-E1108 IonicContact CZ-OE1 3.58Å; R1104-E1108 VanDerWaalsContact NE-CD 3.33Å; R1104-E1108 IonicContact NE-OE1 2.74Å; R1104-E1108 PolarHBondContact NE-OE1 3.39Å; R1104-E1108 IonicContact NE-OE2 2.66Å; R1104-E1108 PolarHBondContact NE-OE2 3.26Å; R1104-E1108 IonicContact NH2-OE1 3.63Å; R1104-E1108 PolarHBondContact NH2-OE1 3.03Å; R1104-E1108 WeakPolarHBondContact O-CG 3.29Å; R1104-E1108 PolarHBondContact O-N 3.16Å; R1105-E1108 WeakPolarHBondContact CA-OE2 3.32Å; E1108-K1110 VanDerWaalsContact C-N 3.33Å; E1108-K1110 PolarHBondContact O-N 3.44Å; E1108-L1111 PolarHBondContact O-N 2.96Å; E1108-L1112 PolarHBondContact O-N 3.03Å; E1108-I1220 HydrophobicContact CG-CD1 3.94Å; E1108-I1220 HydrophobicContact CG-CG1 4.33Å
1109R59.7Low61.2Low201 Ų20178.8 Ų78.876%0.75838%0.384SS*.Hα-helixtrans-62.3-36.8173.8-84.6-175.3164.5-168.7-5.3113.2R1105 L1113R1105-R1109 WeakPolarHBondContact O-CB 3.44Å; R1105-R1109 PolarHBondContact O-N 3.09Å; R1109-L1113 WeakPolarHBondContact O-CB 3.43Å; R1109-L1113 PolarHBondContact O-N 2.72Å; R1109-L1113 VanDerWaalsContact O-N 3.14Å
1110K58.3Low61.6Low104 Ų10479 Ų7945%0.45238%0.382SS..Hα-helixtrans-69.9-37.6175-79.3-177.9177-172.10112.2L1106 C1107 E1108 L1113 L1114L1106-K1110 WeakPolarHBondContact O-CB 3.38Å; L1106-K1110 WeakPolarHBondContact O-CG 3.41Å; L1106-K1110 PolarHBondContact O-N 3.38Å; C1107-K1110 CarbonylContact O-C 3.59Å; C1107-K1110 PolarHBondContact O-N 3.4Å; C1107-K1110 VanDerWaalsContact O-N 3.16Å; E1108-K1110 VanDerWaalsContact C-N 3.33Å; E1108-K1110 PolarHBondContact O-N 3.44Å; K1110-L1113 PolarHBondContact O-N 2.96Å; K1110-L1114 WeakPolarHBondContact O-CB 3.16Å; K1110-L1114 WeakPolarHBondContact O-CD1 3.21Å; K1110-L1114 PolarHBondContact O-N 3.17Å
1111L68.3Low62Low19 Ų1978.8 Ų78.810%0.09938%0.381CS..Hα-helixtrans-63.8-50.5175.5-169.974.4000110.4C1107 E1108 L1113 L1114 E1115 A1213 Q1216 L1217 I1220C1107-L1111 WeakPolarHBondContact O-CB 3.36Å; C1107-L1111 PolarHBondContact O-N 2.97Å; E1108-L1111 PolarHBondContact O-N 2.96Å; L1111-L1113 VanDerWaalsContact C-N 3.28Å; L1111-L1113 PolarHBondContact O-N 3.29Å; L1111-L1114 CarbonylContact O-C 3.54Å; L1111-L1114 WeakPolarHBondContact O-CA 3.39Å; L1111-L1114 WeakPolarHBondContact O-CB 3.34Å; L1111-L1114 PolarHBondContact O-N 3.16Å; L1111-E1115 HydrophobicContact CG-CG 4.42Å; L1111-E1115 WeakPolarHBondContact O-CB 3.47Å; L1111-E1115 WeakPolarHBondContact O-CG 3.34Å; L1111-E1115 PolarHBondContact O-N 2.78Å; L1111-A1213 HydrophobicContact CD1-CB 3.87Å; L1111-A1213 WeakPolarHBondContact CD1-O 3.43Å; L1111-Q1216 HydrophobicContact CB-CB 4.48Å; L1111-Q1216 HydrophobicContact CD1-CB 4Å; L1111-L1217 HydrophobicContact CD2-CD1 4.02Å; L1111-I1220 HydrophobicContact CB-CD1 4.34Å; L1111-I1220 HydrophobicContact CD2-CD1 4Å
1112L63.5Low62.7Low118 Ų11880.7 Ų80.762%0.61839%0.388SS*.Hα-helixtrans-55.8-39.6175.1-101.4161.2000113.2E1108 S1116E1108-L1112 PolarHBondContact O-N 3.03Å; L1112-S1116 VanDerWaalsContact O-CB 3.24Å; L1112-S1116 WeakPolarHBondContact O-CB 3.4Å; L1112-S1116 PolarHBondContact O-N 2.85Å
1113L60Low63.3Low101 Ų10180.3 Ų80.353%0.52938%0.384SS..Hα-helixtrans-71.6-37.2176.4-162.275.3000112.1R1109 K1110 L1111 H1117R1109-L1113 WeakPolarHBondContact O-CB 3.43Å; R1109-L1113 PolarHBondContact O-N 2.72Å; R1109-L1113 VanDerWaalsContact O-N 3.14Å; K1110-L1113 PolarHBondContact O-N 2.96Å; L1111-L1113 VanDerWaalsContact C-N 3.28Å; L1111-L1113 PolarHBondContact O-N 3.29Å; L1113-H1117 WeakPolarHBondContact O-CB 3.47Å; L1113-H1117 PolarHBondContact O-CD2 2.76Å; L1113-H1117 VanDerWaalsContact O-CG 3.22Å; L1113-H1117 PolarHBondContact O-N 3.31Å
1114L63.8Low63.6Low23 Ų2384.6 Ų84.612%0.1240%0.398CS..Hα-helixtrans-63.8-47.8172.9-90.2154.8000111.5K1110 L1111 H1117 I1118 L1209 T1212 A1213 Q1216K1110-L1114 WeakPolarHBondContact O-CB 3.16Å; K1110-L1114 WeakPolarHBondContact O-CD1 3.21Å; K1110-L1114 PolarHBondContact O-N 3.17Å; L1111-L1114 CarbonylContact O-C 3.54Å; L1111-L1114 WeakPolarHBondContact O-CA 3.39Å; L1111-L1114 WeakPolarHBondContact O-CB 3.34Å; L1111-L1114 PolarHBondContact O-N 3.16Å; L1114-H1117 PolarHBondContact O-N 2.96Å; L1114-I1118 WeakPolarHBondContact O-CB 3.02Å; L1114-I1118 WeakPolarHBondContact O-CD1 3.41Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.31Å; L1114-I1118 PolarHBondContact O-N 2.96Å; L1114-L1209 HydrophobicContact CD2-CB 4.28Å; L1114-L1209 HydrophobicContact CD2-CD2 3.64Å; L1114-T1212 HydrophobicContact CD1-CG2 3.96Å; L1114-T1212 HydrophobicContact CD2-CG2 4.19Å; L1114-A1213 HydrophobicContact CB-CB 4.39Å; L1114-Q1216 HydrophobicContact CD1-CG 4.04Å
1115E66.2Low63.7Low88 Ų8882 Ų8241%0.41139%0.389SS..Hα-helixtrans-61-45176.7-70.5167.8163.900111.1L1111 H1117 I1118 V1119L1111-E1115 HydrophobicContact CG-CG 4.42Å; L1111-E1115 WeakPolarHBondContact O-CB 3.47Å; L1111-E1115 WeakPolarHBondContact O-CG 3.34Å; L1111-E1115 PolarHBondContact O-N 2.78Å; E1115-H1117 PolarHBondContact O-N 3.42Å; E1115-I1118 PolarHBondContact O-N 2.83Å; E1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; E1115-V1119 PolarHBondContact O-N 2.78Å
1116S58.6Low64.3Low69 Ų6979.2 Ų79.248%0.48338%0.383SS..Hα-helixtrans-57-46172.4176.30000112.3L1112 C1120L1112-S1116 VanDerWaalsContact O-CB 3.24Å; L1112-S1116 WeakPolarHBondContact O-CB 3.4Å; L1112-S1116 PolarHBondContact O-N 2.85Å; S1116-C1120 WeakPolarHBondContact O-CB 3.35Å; S1116-C1120 PolarHBondContact O-N 2.88Å
1117H61Low64.6Low96 Ų9680.4 Ų80.444%0.44439%0.389SS..Hα-helixtrans-67.5-39.8177.7-73.6-173.4000112.5L1113 L1114 E1115 C1120 L1121L1113-H1117 WeakPolarHBondContact O-CB 3.47Å; L1113-H1117 PolarHBondContact O-CD2 2.76Å; L1113-H1117 VanDerWaalsContact O-CG 3.22Å; L1113-H1117 PolarHBondContact O-N 3.31Å; L1114-H1117 PolarHBondContact O-N 2.96Å; E1115-H1117 PolarHBondContact O-N 3.42Å; H1117-C1120 PolarHBondContact O-N 2.95Å; H1117-L1121 WeakPolarHBondContact O-CB 3.38Å; H1117-L1121 PolarHBondContact O-N 2.9Å
1118I68.1Low65Low16 Ų1681.7 Ų81.78%0.08240%0.399CS..Hα-helixtrans-60.3-52.3175.4-73.4161.5000110.1L1114 E1115 C1120 L1121 E1122 L1209 Q1210 A1213L1114-I1118 WeakPolarHBondContact O-CB 3.02Å; L1114-I1118 WeakPolarHBondContact O-CD1 3.41Å; L1114-I1118 WeakPolarHBondContact O-CG1 3.31Å; L1114-I1118 PolarHBondContact O-N 2.96Å; E1115-I1118 PolarHBondContact O-N 2.83Å; I1118-C1120 VanDerWaalsContact C-N 3.3Å; I1118-C1120 PolarHBondContact O-N 3.42Å; I1118-L1121 PolarHBondContact O-N 2.92Å; I1118-E1122 HydrophobicContact CG2-CG 4.43Å; I1118-E1122 WeakPolarHBondContact O-CG 3.46Å; I1118-E1122 PolarHBondContact O-N 2.86Å; I1118-L1209 HydrophobicContact CD1-CB 4.19Å; I1118-L1209 HydrophobicContact CG1-CB 3.77Å; I1118-Q1210 HydrophobicContact CD1-CG 3.92Å; I1118-Q1210 HydrophobicContact CG1-CG 4.31Å; I1118-Q1210 HydrophobicContact CG2-CG 4.25Å; I1118-A1213 HydrophobicContact CD1-CB 4.21Å
1119V66.3Low65.5Low76 Ų7682.5 Ų82.546%0.46140%0.401SS..Hα-helixtrans-59.6-40.9178.3172.30000111.4E1115 E1122 Q1123E1115-V1119 WeakPolarHBondContact O-CG2 3.45Å; E1115-V1119 PolarHBondContact O-N 2.78Å; V1119-E1122 PolarHBondContact O-N 3.39Å; V1119-Q1123 WeakPolarHBondContact O-CB 3.32Å; V1119-Q1123 WeakPolarHBondContact O-CG 3.11Å; V1119-Q1123 PolarHBondContact O-N 3.32Å
1120C61.1Low65.9Low59 Ų5975.6 Ų75.640%0.39938%0.384SS..Hα-helixtrans-66.7-37175.7-168.10000112.6S1116 H1117 I1118 R1124S1116-C1120 WeakPolarHBondContact O-CB 3.35Å; S1116-C1120 PolarHBondContact O-N 2.88Å; H1117-C1120 PolarHBondContact O-N 2.95Å; I1118-C1120 VanDerWaalsContact C-N 3.3Å; I1118-C1120 PolarHBondContact O-N 3.42Å; C1120-R1124 WeakPolarHBondContact O-CB 3.31Å; C1120-R1124 WeakPolarHBondContact O-CG 3.26Å; C1120-R1124 PolarHBondContact O-N 2.79Å
1121L67.3Low66.2Low26 Ų2673.8 Ų73.814%0.13638%0.381CS..Hα-helixtrans-68.4-43.2175.6-123.6114.2000111.6H1117 I1118 R1124 L1125 L1202 L1205 N1206 L1209H1117-L1121 WeakPolarHBondContact O-CB 3.38Å; H1117-L1121 PolarHBondContact O-N 2.9Å; I1118-L1121 PolarHBondContact O-N 2.92Å; L1121-R1124 CarbonylContact O-C 3.45Å; L1121-R1124 PolarHBondContact O-N 3.42Å; L1121-L1125 VanDerWaalsContact O-CB 3.3Å; L1121-L1125 WeakPolarHBondContact O-CB 3.41Å; L1121-L1125 PolarHBondContact O-N 2.69Å; L1121-L1202 HydrophobicContact CD2-CB 4.3Å; L1121-L1202 HydrophobicContact CD2-CD2 4.02Å; L1121-L1202 VanDerWaalsContact CD2-O 3.24Å; L1121-L1202 WeakPolarHBondContact CD2-O 3.3Å; L1121-L1202 HydrophobicContact CG-CD2 4.42Å; L1121-L1205 HydrophobicContact CD1-CD2 3.96Å; L1121-L1205 HydrophobicContact CD1-CG 4.29Å; L1121-L1205 HydrophobicContact CD2-CB 4.16Å; L1121-L1205 HydrophobicContact CD2-CD2 4.18Å; L1121-L1205 HydrophobicContact CD2-CG 4.14Å; L1121-N1206 HydrophobicContact CD2-CB 4.07Å; L1121-L1209 HydrophobicContact CD1-CD1 3.83Å
1122E71.6Confident66.3Low75 Ų7574 Ų7435%0.3538%0.383SS..Hα-helixtrans-64.5-44.2178.2-72.6177.3174.900111.3I1118 V1119 R1124 L1125 E1126 N1206 Q1210I1118-E1122 HydrophobicContact CG2-CG 4.43Å; I1118-E1122 WeakPolarHBondContact O-CG 3.46Å; I1118-E1122 PolarHBondContact O-N 2.86Å; V1119-E1122 PolarHBondContact O-N 3.39Å; E1122-R1124 PolarHBondContact O-N 3.37Å; E1122-L1125 WeakPolarHBondContact O-CB 3.39Å; E1122-L1125 PolarHBondContact O-N 2.95Å; E1122-E1126 PolarHBondContact O-N 3.4Å; E1122-N1206 VanDerWaalsContact CG-ND2 3.34Å; E1122-N1206 WeakPolarHBondContact CG-ND2 3.45Å; E1122-N1206 PolarHBondContact OE1-ND2 3.47Å; E1122-Q1210 PolarHBondContact OE1-NE2 2.9Å
1123Q68.2Low66.8Low129 Ų12975.2 Ų75.260%0.60338%0.383SS*.Hα-helixtrans-58.6-47.6171-74.1179.41.100111.9V1119 L1125 E1126 L1127V1119-Q1123 WeakPolarHBondContact O-CB 3.32Å; V1119-Q1123 WeakPolarHBondContact O-CG 3.11Å; V1119-Q1123 PolarHBondContact O-N 3.32Å; Q1123-L1125 VanDerWaalsContact C-N 3.27Å; Q1123-L1125 PolarHBondContact O-N 3.14Å; Q1123-E1126 PolarHBondContact O-N 2.91Å; Q1123-L1127 WeakPolarHBondContact O-CB 3.41Å; Q1123-L1127 PolarHBondContact O-N 2.65Å
1124R63.7Low67.2Low173 Ų17376 Ų7665%0.65338%0.384SS*.Hα-helixtrans-61.9-34.8175.7-82.2-179.2164.8-168.1-2.8112.5C1120 L1121 E1122 S1128C1120-R1124 WeakPolarHBondContact O-CB 3.31Å; C1120-R1124 WeakPolarHBondContact O-CG 3.26Å; C1120-R1124 PolarHBondContact O-N 2.79Å; L1121-R1124 CarbonylContact O-C 3.45Å; L1121-R1124 PolarHBondContact O-N 3.42Å; E1122-R1124 PolarHBondContact O-N 3.37Å; R1124-S1128 VanDerWaalsContact O-CB 3.26Å; R1124-S1128 WeakPolarHBondContact O-CB 3.31Å; R1124-S1128 PolarHBondContact O-N 2.96Å; R1124-S1128 PolarHBondContact O-OG 3.03Å
1125L71.9Confident67.4Low13 Ų1379.6 Ų79.67%0.06840%0.4CS..Hα-helixtrans-67.5-48178.3-160.683.8000110.9L1121 E1122 Q1123 L1127 S1128 K1129 I1199 L1202 Q1203L1121-L1125 VanDerWaalsContact O-CB 3.3Å; L1121-L1125 WeakPolarHBondContact O-CB 3.41Å; L1121-L1125 PolarHBondContact O-N 2.69Å; E1122-L1125 WeakPolarHBondContact O-CB 3.39Å; E1122-L1125 PolarHBondContact O-N 2.95Å; Q1123-L1125 VanDerWaalsContact C-N 3.27Å; Q1123-L1125 PolarHBondContact O-N 3.14Å; L1125-L1127 VanDerWaalsContact C-N 3.35Å; L1125-L1127 PolarHBondContact O-N 2.79Å; L1125-S1128 PolarHBondContact O-N 2.73Å; L1125-K1129 WeakPolarHBondContact O-CG 3.32Å; L1125-K1129 PolarHBondContact O-N 2.68Å; L1125-I1199 HydrophobicContact CD1-CG2 4.08Å; L1125-L1202 HydrophobicContact CD1-CB 3.5Å; L1125-Q1203 HydrophobicContact CD1-CG 3.85Å; L1125-Q1203 HydrophobicContact CD2-CG 3.61Å; L1125-Q1203 HydrophobicContact CG-CG 4.3Å
1126E71Confident67.8Low107 Ų10778.8 Ų78.850%0.540%0.396SS..Hα-helixtrans-65.7-39.3179.7-130.158.4-149.700112E1122 Q1123 K1129 S1130E1122-E1126 PolarHBondContact O-N 3.4Å; Q1123-E1126 PolarHBondContact O-N 2.91Å; E1126-K1129 PolarHBondContact O-N 3.33Å; E1126-K1129 WeakPolarHBondContact OE1-CD 3.38Å; E1126-K1129 IonicContact OE1-NZ 2.68Å; E1126-K1129 PolarHBondContact OE1-NZ 3.27Å; E1126-K1129 IonicContact OE2-NZ 3.88Å; E1126-K1129 PolarHBondContact OE2-NZ 2.83Å; E1126-S1130 WeakPolarHBondContact O-CB 3.43Å; E1126-S1130 PolarHBondContact O-N 2.92Å
1127L65.7Low68.5Low124 Ų12478 Ų7865%0.64939%0.389SS*.Hα-helixtrans-65.8-39.5174.5-142150.8000111.2Q1123 L1125 S1130 V1131Q1123-L1127 WeakPolarHBondContact O-CB 3.41Å; Q1123-L1127 PolarHBondContact O-N 2.65Å; L1125-L1127 VanDerWaalsContact C-N 3.35Å; L1125-L1127 PolarHBondContact O-N 2.79Å; L1127-S1130 PolarHBondContact O-N 3.43Å; L1127-V1131 HydrophobicContact CD2-CG2 4.34Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.33Å; L1127-V1131 PolarHBondContact O-N 3.42Å
1128S67.6Low68.7Low42 Ų4276.1 Ų76.129%0.29439%0.39SS..Hα-helixtrans-66.5-44.7175-59.10000112.5R1124 L1125 S1130 V1131 I1132R1124-S1128 VanDerWaalsContact O-CB 3.26Å; R1124-S1128 WeakPolarHBondContact O-CB 3.31Å; R1124-S1128 PolarHBondContact O-N 2.96Å; R1124-S1128 PolarHBondContact O-OG 3.03Å; L1125-S1128 PolarHBondContact O-N 2.73Å; S1128-S1130 VanDerWaalsContact C-N 3.31Å; S1128-S1130 PolarHBondContact O-N 3.47Å; S1128-V1131 PolarHBondContact O-N 3.45Å; S1128-I1132 PolarHBondContact O-N 3.08Å
1129K73.8Confident69Low73 Ų7375.8 Ų75.832%0.31739%0.388SS..Hα-helixtrans-56.8-46.2173.8-71.9169.3-174.9164.70110.7L1125 E1126 I1132 F1133 I1199L1125-K1129 WeakPolarHBondContact O-CG 3.32Å; L1125-K1129 PolarHBondContact O-N 2.68Å; E1126-K1129 PolarHBondContact O-N 3.33Å; E1126-K1129 WeakPolarHBondContact OE1-CD 3.38Å; E1126-K1129 IonicContact OE1-NZ 2.68Å; E1126-K1129 PolarHBondContact OE1-NZ 3.27Å; E1126-K1129 IonicContact OE2-NZ 3.88Å; E1126-K1129 PolarHBondContact OE2-NZ 2.83Å; K1129-I1132 PolarHBondContact O-N 2.85Å; K1129-F1133 WeakPolarHBondContact O-CB 3.47Å; K1129-F1133 PolarHBondContact O-N 2.92Å; K1129-I1199 HydrophobicContact CB-CD1 4.41Å; K1129-I1199 HydrophobicContact CG-CD1 4.04Å
1130S68.2Low69.4Low57 Ų5776.3 Ų76.340%0.39939%0.388SS..Hα-helixtrans-61.3-45.5178.4-175.20000111.7E1126 L1127 S1128 F1133 H1134E1126-S1130 WeakPolarHBondContact O-CB 3.43Å; E1126-S1130 PolarHBondContact O-N 2.92Å; L1127-S1130 PolarHBondContact O-N 3.43Å; S1128-S1130 VanDerWaalsContact C-N 3.31Å; S1128-S1130 PolarHBondContact O-N 3.47Å; S1130-F1133 PolarHBondContact O-N 3.17Å; S1130-H1134 PolarHBondContact O-N 2.9Å; S1130-H1134 PolarHBondContact O-ND1 3.23Å
1131V64.2Low69.9Low65 Ų6579.6 Ų79.639%0.39440%0.398SS..Hα-helixtrans-61.7-44.6176.4169.60000111.7L1127 S1128 H1134 Q1135L1127-V1131 HydrophobicContact CD2-CG2 4.34Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.33Å; L1127-V1131 PolarHBondContact O-N 3.42Å; S1128-V1131 PolarHBondContact O-N 3.45Å; V1131-H1134 PolarHBondContact O-N 2.95Å; V1131-Q1135 HydrophobicContact CG1-CG 4.35Å; V1131-Q1135 WeakPolarHBondContact O-CB 3.47Å; V1131-Q1135 WeakPolarHBondContact O-CG 3.43Å; V1131-Q1135 PolarHBondContact O-N 3.37Å
1132I71.4Confident69.9Low25 Ų2580.7 Ų80.713%0.12840%0.404CS..Hα-helixtrans-62.9-43.7175.7-70-174.5000111.2S1128 K1129 H1134 Q1135 Q1136 L1192 A1195 I1199S1128-I1132 PolarHBondContact O-N 3.08Å; K1129-I1132 PolarHBondContact O-N 2.85Å; I1132-H1134 VanDerWaalsContact C-N 3.33Å; I1132-H1134 PolarHBondContact O-N 3.12Å; I1132-Q1135 PolarHBondContact O-N 2.81Å; I1132-Q1136 VanDerWaalsContact O-CB 3.3Å; I1132-Q1136 WeakPolarHBondContact O-CB 3.37Å; I1132-Q1136 PolarHBondContact O-N 3.09Å; I1132-L1192 HydrophobicContact CG2-CD1 4.06Å; I1132-L1192 HydrophobicContact CG2-CD2 4.37Å; I1132-L1192 HydrophobicContact CG2-CG 4.09Å; I1132-A1195 HydrophobicContact CD1-CB 3.48Å; I1132-A1195 VanDerWaalsContact CD1-CB 3.48Å; I1132-A1195 WeakPolarHBondContact CD1-O 3.5Å; I1132-A1195 HydrophobicContact CG1-CB 3.84Å; I1132-I1199 HydrophobicContact CD1-CD1 3.47Å; I1132-I1199 VanDerWaalsContact CD1-CD1 3.47Å; I1132-I1199 HydrophobicContact CD1-CG1 4.02Å; I1132-I1199 HydrophobicContact CG1-CD1 4.23Å
1133F73.2Confident70Confident142 Ų14280 Ų8062%0.62340%0.4SS*.Hα-helixtrans-58.7-44177.9-179.9-95.6000112.2K1129 S1130 T1137K1129-F1133 WeakPolarHBondContact O-CB 3.47Å; K1129-F1133 PolarHBondContact O-N 2.92Å; S1130-F1133 PolarHBondContact O-N 3.17Å; F1133-T1137 WeakPolarHBondContact O-CB 3.5Å; F1133-T1137 PolarHBondContact O-N 3.34Å; F1133-T1137 PolarHBondContact O-OG1 3.31Å
1134H67.7Low70.1Confident119 Ų11976.5 Ų76.555%0.55139%0.394SS*.Hα-helixtrans-68.9-40.2175.7-71.580.8000112.4S1130 V1131 I1132 T1137 A1138S1130-H1134 PolarHBondContact O-N 2.9Å; S1130-H1134 PolarHBondContact O-ND1 3.23Å; V1131-H1134 PolarHBondContact O-N 2.95Å; I1132-H1134 VanDerWaalsContact C-N 3.33Å; I1132-H1134 PolarHBondContact O-N 3.12Å; H1134-T1137 PolarHBondContact O-N 3.2Å; H1134-A1138 WeakPolarHBondContact O-CB 2.93Å; H1134-A1138 PolarHBondContact O-N 2.89Å
1135Q68.5Low70.2Confident97 Ų9771.3 Ų71.345%0.45338%0.384SS..Hα-helixtrans-66.1-43.2176.9-76-179.3-4.500112.4V1131 I1132 T1137 A1138 L1139 L1192V1131-Q1135 HydrophobicContact CG1-CG 4.35Å; V1131-Q1135 WeakPolarHBondContact O-CB 3.47Å; V1131-Q1135 WeakPolarHBondContact O-CG 3.43Å; V1131-Q1135 PolarHBondContact O-N 3.37Å; I1132-Q1135 PolarHBondContact O-N 2.81Å; Q1135-T1137 VanDerWaalsContact C-N 3.32Å; Q1135-T1137 PolarHBondContact O-N 3.26Å; Q1135-A1138 PolarHBondContact O-N 3.15Å; Q1135-L1139 WeakPolarHBondContact O-CB 3.16Å; Q1135-L1139 PolarHBondContact O-N 2.94Å; Q1135-L1192 HydrophobicContact CB-CD1 3.54Å
1136Q75.9Confident69.9Low72 Ų7271.3 Ų71.334%0.33638%0.384SS..Hα-helixtrans-60-43.6173.4-177.976.991.400110.8I1132 L1139 N1140 L1192I1132-Q1136 VanDerWaalsContact O-CB 3.3Å; I1132-Q1136 WeakPolarHBondContact O-CB 3.37Å; I1132-Q1136 PolarHBondContact O-N 3.09Å; Q1136-L1139 PolarHBondContact O-N 3.49Å; Q1136-N1140 PolarHBondContact NE2-OD1 3.02Å; Q1136-N1140 WeakPolarHBondContact O-CB 3.28Å; Q1136-N1140 PolarHBondContact O-N 3.38Å; Q1136-N1140 PolarHBondContact O-ND2 3.08Å; Q1136-N1140 PolarHBondContact O-OD1 2.74Å; Q1136-L1192 HydrophobicContact CB-CD1 4.34Å; Q1136-L1192 HydrophobicContact CB-CD2 3.94Å; Q1136-L1192 VanDerWaalsContact CD-CD2 3.47Å; Q1136-L1192 HydrophobicContact CG-CD2 4.28Å
1137T72.5Confident70Confident53 Ų5373.5 Ų73.533%0.32539%0.388SS..Hα-helixtrans-64.3-49.8179.8-57.80000111.1F1133 H1134 Q1135 L1139 N1140 E1141F1133-T1137 WeakPolarHBondContact O-CB 3.5Å; F1133-T1137 PolarHBondContact O-N 3.34Å; F1133-T1137 PolarHBondContact O-OG1 3.31Å; H1134-T1137 PolarHBondContact O-N 3.2Å; Q1135-T1137 VanDerWaalsContact C-N 3.32Å; Q1135-T1137 PolarHBondContact O-N 3.26Å; T1137-L1139 VanDerWaalsContact C-N 3.32Å; T1137-L1139 PolarHBondContact O-N 3.29Å; T1137-N1140 PolarHBondContact O-N 3.12Å; T1137-E1141 WeakPolarHBondContact O-CG 3.29Å; T1137-E1141 PolarHBondContact O-N 2.92Å
1138A65.8Low70Confident56 Ų5672.9 Ų72.946%0.46338%0.382SS..Hα-helixtrans-63.5-34.6176.400000112.9H1134 Q1135 L1142H1134-A1138 WeakPolarHBondContact O-CB 2.93Å; H1134-A1138 PolarHBondContact O-N 2.89Å; Q1135-A1138 PolarHBondContact O-N 3.15Å; A1138-L1142 VanDerWaalsContact O-CB 3.28Å; A1138-L1142 WeakPolarHBondContact O-CB 3.18Å; A1138-L1142 PolarHBondContact O-N 3.46Å
1139L73.3Confident69.7Low8 Ų874.9 Ų74.94%0.04239%0.388CS..Hα-helixtrans-67-43.8173.9179.556.2000111.4Q1135 Q1136 T1137 E1141 L1142 E1143 C1185 D1189Q1135-L1139 WeakPolarHBondContact O-CB 3.16Å; Q1135-L1139 PolarHBondContact O-N 2.94Å; Q1136-L1139 PolarHBondContact O-N 3.49Å; T1137-L1139 VanDerWaalsContact C-N 3.32Å; T1137-L1139 PolarHBondContact O-N 3.29Å; L1139-E1141 VanDerWaalsContact C-N 3.35Å; L1139-E1141 PolarHBondContact O-N 3.23Å; L1139-L1142 PolarHBondContact O-N 2.66Å; L1139-E1143 HydrophobicContact CD1-CG 4.22Å; L1139-E1143 WeakPolarHBondContact O-CB 3.25Å; L1139-E1143 WeakPolarHBondContact O-CG 3.1Å; L1139-E1143 PolarHBondContact O-N 3.28Å; L1139-C1185 HydrophobicContact CD1-CB 3.94Å; L1139-D1189 HydrophobicContact CD2-CB 3.93Å; L1139-D1189 WeakPolarHBondContact CD2-OD1 3.31Å
1140N75.8Confident69.4Low88 Ų8873.9 Ų73.947%0.47139%0.389SS..Hα-helixtrans-62.1-41.1176.8-67.2-13.5000111.9Q1136 T1137 A1144Q1136-N1140 PolarHBondContact NE2-OD1 3.02Å; Q1136-N1140 WeakPolarHBondContact O-CB 3.28Å; Q1136-N1140 PolarHBondContact O-N 3.38Å; Q1136-N1140 PolarHBondContact O-ND2 3.08Å; Q1136-N1140 PolarHBondContact O-OD1 2.74Å; T1137-N1140 PolarHBondContact O-N 3.12Å; N1140-A1144 WeakPolarHBondContact O-CB 3.36Å; N1140-A1144 PolarHBondContact O-N 3.19Å
1141E70.1Confident69.4Low127 Ų12775.9 Ų75.959%0.59340%0.395SS*.Hα-helixtrans-66.2-41.1174.3-71.5-179.1172.700112.4T1137 L1139 A1144 S1145T1137-E1141 WeakPolarHBondContact O-CG 3.29Å; T1137-E1141 PolarHBondContact O-N 2.92Å; L1139-E1141 VanDerWaalsContact C-N 3.35Å; L1139-E1141 PolarHBondContact O-N 3.23Å; E1141-A1144 PolarHBondContact O-N 3.06Å; E1141-S1145 WeakPolarHBondContact O-CB 3.5Å; E1141-S1145 PolarHBondContact O-N 3.45Å; E1141-S1145 PolarHBondContact O-OG 3.42Å
1142L68.5Low69.2Low50 Ų5078.2 Ų78.226%0.26240%0.401SS..Hα-helixtrans-66.1-43.8176.4-175.964.4000111.4A1138 L1139 S1145 V1146 Y1184A1138-L1142 VanDerWaalsContact O-CB 3.28Å; A1138-L1142 WeakPolarHBondContact O-CB 3.18Å; A1138-L1142 PolarHBondContact O-N 3.46Å; L1139-L1142 PolarHBondContact O-N 2.66Å; L1142-S1145 WeakPolarHBondContact O-CB 3.47Å; L1142-S1145 PolarHBondContact O-N 3.2Å; L1142-V1146 HydrophobicContact CD1-CG2 4.43Å; L1142-V1146 HydrophobicContact CG-CG2 4.49Å; L1142-V1146 WeakPolarHBondContact O-CB 3.3Å; L1142-V1146 VanDerWaalsContact O-CG2 3.29Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.49Å; L1142-V1146 PolarHBondContact O-N 3.42Å; L1142-Y1184 HydrophobicContact CD2-CD1 3.85Å; L1142-Y1184 HydrophobicContact CD2-CE1 4.24Å
1143E73.9Confident68.8Low59 Ų5978.2 Ų78.228%0.27640%0.4SS..Hα-helixtrans-59-48.3173.9-78.5-121137.300111.6L1139 S1145 V1146 R1147 C1185L1139-E1143 HydrophobicContact CD1-CG 4.22Å; L1139-E1143 WeakPolarHBondContact O-CB 3.25Å; L1139-E1143 WeakPolarHBondContact O-CG 3.1Å; L1139-E1143 PolarHBondContact O-N 3.28Å; E1143-S1145 VanDerWaalsContact C-N 3.28Å; E1143-S1145 PolarHBondContact O-N 3.19Å; E1143-V1146 PolarHBondContact O-N 2.85Å; E1143-R1147 WeakPolarHBondContact O-CB 3.46Å; E1143-R1147 VanDerWaalsContact O-CG 3.26Å; E1143-R1147 WeakPolarHBondContact O-CG 3.12Å; E1143-R1147 PolarHBondContact O-N 3.22Å; E1143-R1147 IonicContact OE2-CZ 3.59Å; E1143-R1147 IonicContact OE2-NE 3.72Å; E1143-R1147 IonicContact OE2-NH2 2.66Å; E1143-R1147 PolarHBondContact OE2-NH2 2.79Å; E1143-C1185 HydrophobicContact CG-CB 4.27Å
1144A70.1Confident68.3Low57 Ų5774.6 Ų74.647%0.47139%0.388SS..Hα-helixtrans-59.2-41.6177.300000111.5N1140 E1141 R1147 H1148N1140-A1144 WeakPolarHBondContact O-CB 3.36Å; N1140-A1144 PolarHBondContact O-N 3.19Å; E1141-A1144 PolarHBondContact O-N 3.06Å; A1144-R1147 PolarHBondContact O-N 3.08Å; A1144-H1148 WeakPolarHBondContact O-CB 3.38Å; A1144-H1148 PolarHBondContact O-N 3.37Å
1145S65.2Low68Low63 Ų6373.5 Ų73.544%0.44139%0.386SS..Hα-helixtrans-65.4-42.3176-57.60000112.6E1141 L1142 E1143 H1148 L1149E1141-S1145 WeakPolarHBondContact O-CB 3.5Å; E1141-S1145 PolarHBondContact O-N 3.45Å; E1141-S1145 PolarHBondContact O-OG 3.42Å; L1142-S1145 WeakPolarHBondContact O-CB 3.47Å; L1142-S1145 PolarHBondContact O-N 3.2Å; E1143-S1145 VanDerWaalsContact C-N 3.28Å; E1143-S1145 PolarHBondContact O-N 3.19Å; S1145-H1148 PolarHBondContact O-N 2.76Å; S1145-L1149 WeakPolarHBondContact O-CB 3.47Å; S1145-L1149 VanDerWaalsContact O-CG 3.3Å; S1145-L1149 WeakPolarHBondContact O-CG 3.38Å; S1145-L1149 PolarHBondContact O-N 2.73Å
1146V66.7Low67.5Low14 Ų1474.1 Ų74.19%0.08539%0.387CS..Hα-helixtrans-68.3-38.3177.7169.50000111.4L1142 E1143 T1150 L1181L1142-V1146 HydrophobicContact CD1-CG2 4.43Å; L1142-V1146 HydrophobicContact CG-CG2 4.49Å; L1142-V1146 WeakPolarHBondContact O-CB 3.3Å; L1142-V1146 VanDerWaalsContact O-CG2 3.29Å; L1142-V1146 WeakPolarHBondContact O-CG2 3.49Å; L1142-V1146 PolarHBondContact O-N 3.42Å; E1143-V1146 PolarHBondContact O-N 2.85Å; V1146-T1150 WeakPolarHBondContact O-CB 3.42Å; V1146-T1150 PolarHBondContact O-N 2.9Å; V1146-T1150 PolarHBondContact O-OG1 2.85Å; V1146-L1181 HydrophobicContact CG2-CB 3.71Å
1147R71.8Confident66.6Low153 Ų15375.5 Ų75.558%0.57739%0.394SS*.Hα-helixtrans-61.9-51.2172.6-68.2174-153.7179.97.2110.6E1143 A1144 L1149 T1150 D1151E1143-R1147 WeakPolarHBondContact O-CB 3.46Å; E1143-R1147 VanDerWaalsContact O-CG 3.26Å; E1143-R1147 WeakPolarHBondContact O-CG 3.12Å; E1143-R1147 PolarHBondContact O-N 3.22Å; E1143-R1147 IonicContact OE2-CZ 3.59Å; E1143-R1147 IonicContact OE2-NE 3.72Å; E1143-R1147 IonicContact OE2-NH2 2.66Å; E1143-R1147 PolarHBondContact OE2-NH2 2.79Å; A1144-R1147 PolarHBondContact O-N 3.08Å; R1147-L1149 PolarHBondContact O-N 3.22Å; R1147-T1150 CarbonylContact O-C 3.37Å; R1147-T1150 WeakPolarHBondContact O-CA 3.42Å; R1147-T1150 WeakPolarHBondContact O-CB 3.41Å; R1147-T1150 PolarHBondContact O-N 3.12Å; R1147-D1151 PolarHBondContact O-N 3.49Å
1148H66.9Low65.8Low111 Ų11181 Ų8151%0.51441%0.408SS..Hα-helixtrans-57-45.2177.5-170.5-70.8000112.7A1144 S1145 T1150 D1151 E1152A1144-H1148 WeakPolarHBondContact O-CB 3.38Å; A1144-H1148 PolarHBondContact O-N 3.37Å; S1145-H1148 PolarHBondContact O-N 2.76Å; H1148-T1150 VanDerWaalsContact C-N 3.27Å; H1148-T1150 PolarHBondContact O-N 3.11Å; H1148-D1151 PolarHBondContact O-N 3.05Å; H1148-E1152 VanDerWaalsContact CE1-CD 3.44Å; H1148-E1152 IonicContact CE1-OE1 3.92Å; H1148-E1152 IonicContact CE1-OE2 3.77Å; H1148-E1152 IonicContact ND1-OE2 2.82Å; H1148-E1152 PolarHBondContact O-N 3.19Å
1149L60.2Low65.2Low83 Ų8382.2 Ų82.244%0.43541%0.414SS..Hα-helixtrans-64.9-30176.1-74.1169.6000112.9S1145 R1147 F1153S1145-L1149 WeakPolarHBondContact O-CB 3.47Å; S1145-L1149 VanDerWaalsContact O-CG 3.3Å; S1145-L1149 WeakPolarHBondContact O-CG 3.38Å; S1145-L1149 PolarHBondContact O-N 2.73Å; R1147-L1149 PolarHBondContact O-N 3.22Å; L1149-F1153 VanDerWaalsContact O-CB 3.3Å; L1149-F1153 WeakPolarHBondContact O-CB 3.48Å; L1149-F1153 PolarHBondContact O-N 2.56Å; L1149-F1153 VanDerWaalsContact O-N 3.17Å
1150T68Low64Low53 Ų5386.7 Ų86.733%0.32543%0.43SS..Hα-helixtrans-73.9-46.5174.9-54.90000110.4V1146 R1147 H1148 E1152 F1153 D1154V1146-T1150 WeakPolarHBondContact O-CB 3.42Å; V1146-T1150 PolarHBondContact O-N 2.9Å; V1146-T1150 PolarHBondContact O-OG1 2.85Å; R1147-T1150 CarbonylContact O-C 3.37Å; R1147-T1150 WeakPolarHBondContact O-CA 3.42Å; R1147-T1150 WeakPolarHBondContact O-CB 3.41Å; R1147-T1150 PolarHBondContact O-N 3.12Å; H1148-T1150 VanDerWaalsContact C-N 3.27Å; H1148-T1150 PolarHBondContact O-N 3.11Å; T1150-E1152 PolarHBondContact O-N 2.99Å; T1150-F1153 PolarHBondContact O-N 3.22Å; T1150-D1154 WeakPolarHBondContact O-CB 3.46Å; T1150-D1154 PolarHBondContact O-N 3.2Å
1151D67.6Low62.5Low98 Ų9889 Ų8952%0.52445%0.447SS..Hα-helixtrans-63.3-40.3177.9-71.2-36.3000112.3R1147 H1148 N1155R1147-D1151 PolarHBondContact O-N 3.49Å; H1148-D1151 PolarHBondContact O-N 3.05Å; D1151-N1155 WeakPolarHBondContact O-CB 3.49Å; D1151-N1155 PolarHBondContact O-N 3.44Å; D1151-N1155 PolarHBondContact O-ND2 3.49Å
1152E61Low60.9Low114 Ų11487.3 Ų87.353%0.53345%0.45SS..Hα-helixtrans-64.2-41.2171.9-79.3-164.6138.500112.1H1148 T1150 N1155 F1156H1148-E1152 VanDerWaalsContact CE1-CD 3.44Å; H1148-E1152 IonicContact CE1-OE1 3.92Å; H1148-E1152 IonicContact CE1-OE2 3.77Å; H1148-E1152 IonicContact ND1-OE2 2.82Å; H1148-E1152 PolarHBondContact O-N 3.19Å; T1150-E1152 PolarHBondContact O-N 2.99Å; E1152-N1155 PolarHBondContact O-N 2.82Å; E1152-F1156 VanDerWaalsContact O-CB 3.24Å; E1152-F1156 WeakPolarHBondContact O-CB 3.5Å; E1152-F1156 PolarHBondContact O-N 3.45Å
1153F62.4Low59.3Low25 Ų2594.3 Ų94.311%0.1148%0.479CS..Hα-helixtrans-64.9-42.9177.6-174.9-93.2000112L1149 T1150 F1156 E1157 L1174 I1175 I1178L1149-F1153 VanDerWaalsContact O-CB 3.3Å; L1149-F1153 WeakPolarHBondContact O-CB 3.48Å; L1149-F1153 PolarHBondContact O-N 2.56Å; L1149-F1153 VanDerWaalsContact O-N 3.17Å; T1150-F1153 PolarHBondContact O-N 3.22Å; F1153-F1156 WeakPolarHBondContact O-CB 3.43Å; F1153-F1156 PolarHBondContact O-N 2.96Å; F1153-E1157 HydrophobicContact CD1-CG 4.28Å; F1153-E1157 HydrophobicContact CE1-CG 3.67Å; F1153-E1157 HydrophobicContact CZ-CG 3.82Å; F1153-E1157 PolarHBondContact O-N 3.16Å; F1153-L1174 HydrophobicContact CD2-CD2 3.88Å; F1153-L1174 HydrophobicContact CE2-CD2 4.15Å; F1153-I1175 HydrophobicContact CE1-CD1 4.06Å; F1153-I1175 HydrophobicContact CE1-CG1 3.78Å; F1153-I1175 HydrophobicContact CE2-CG1 4.22Å; F1153-I1175 HydrophobicContact CZ-CD1 3.74Å; F1153-I1175 HydrophobicContact CZ-CG1 3.54Å; F1153-I1178 HydrophobicContact CB-CD1 4.23Å; F1153-I1178 HydrophobicContact CG-CD1 4.39Å
1154D62.5Low57.6Low66 Ų6698.6 Ų98.635%0.35351%0.508SS..Hα-helixtrans-64.4-43.1177.5-117.258.7000111.5T1150 F1156 E1157 R1158T1150-D1154 WeakPolarHBondContact O-CB 3.46Å; T1150-D1154 PolarHBondContact O-N 3.2Å; D1154-F1156 VanDerWaalsContact C-N 3.34Å; D1154-E1157 PolarHBondContact O-N 3.34Å; D1154-R1158 WeakPolarHBondContact O-CB 3.44Å; D1154-R1158 WeakPolarHBondContact O-CD 3.08Å; D1154-R1158 WeakPolarHBondContact O-CG 3.43Å; D1154-R1158 PolarHBondContact O-N 2.88Å; D1154-R1158 IonicContact OD2-CZ 3.41Å; D1154-R1158 IonicContact OD2-NE 3.39Å; D1154-R1158 PolarHBondContact OD2-NE 2.7Å; D1154-R1158 IonicContact OD2-NH2 2.67Å; D1154-R1158 PolarHBondContact OD2-NH2 3.31Å
1155N61.3Low56.2Low97 Ų9798.2 Ų98.252%0.51951%0.51SS..Hα-helixtrans-65.6-36.5173.7-75.4-55.3000112D1151 E1152 R1158 S1159D1151-N1155 WeakPolarHBondContact O-CB 3.49Å; D1151-N1155 PolarHBondContact O-N 3.44Å; D1151-N1155 PolarHBondContact O-ND2 3.49Å; E1152-N1155 PolarHBondContact O-N 2.82Å; N1155-R1158 PolarHBondContact O-N 2.89Å; N1155-S1159 WeakPolarHBondContact O-CB 3.45Å; N1155-S1159 PolarHBondContact O-N 2.87Å
1156F57.7Low54.7Low110 Ų110107.4 Ų107.448%0.48254%0.535SS..Hα-helixtrans-65.7-43.2175-177.9-103.1000112.3E1152 F1153 D1154 S1159E1152-F1156 VanDerWaalsContact O-CB 3.24Å; E1152-F1156 WeakPolarHBondContact O-CB 3.5Å; E1152-F1156 PolarHBondContact O-N 3.45Å; F1153-F1156 WeakPolarHBondContact O-CB 3.43Å; F1153-F1156 PolarHBondContact O-N 2.96Å; D1154-F1156 VanDerWaalsContact C-N 3.34Å; F1156-S1159 PolarHBondContact O-N 3.42Å; F1156-S1159 PolarHBondContact O-OG 3.05Å
1157E57Low53.4Low101 Ų101107.9 Ų107.947%0.47254%0.541SS..Hα-helixtrans-65.3-43.2172.9-69.4-13113800112F1153 D1154 S1159 R1160F1153-E1157 HydrophobicContact CD1-CG 4.28Å; F1153-E1157 HydrophobicContact CE1-CG 3.67Å; F1153-E1157 HydrophobicContact CZ-CG 3.82Å; F1153-E1157 PolarHBondContact O-N 3.16Å; D1154-E1157 PolarHBondContact O-N 3.34Å; E1157-S1159 PolarHBondContact O-N 2.73Å; E1157-R1160 VanDerWaalsContact O-CB 3.32Å; E1157-R1160 WeakPolarHBondContact O-CB 3.45Å; E1157-R1160 PolarHBondContact O-N 3.45Å
1158R56.5Low52.2Low167 Ų167106.2 Ų106.263%0.6355%0.548SS*.Hα-helixtrans-61-30.8176.8-69.1166.3-161.7-165.27.1112.9D1154 N1155 R1160D1154-R1158 WeakPolarHBondContact O-CB 3.44Å; D1154-R1158 WeakPolarHBondContact O-CD 3.08Å; D1154-R1158 WeakPolarHBondContact O-CG 3.43Å; D1154-R1158 PolarHBondContact O-N 2.88Å; D1154-R1158 IonicContact OD2-CZ 3.41Å; D1154-R1158 IonicContact OD2-NE 3.39Å; D1154-R1158 PolarHBondContact OD2-NE 2.7Å; D1154-R1158 IonicContact OD2-NH2 2.67Å; D1154-R1158 PolarHBondContact OD2-NH2 3.31Å; N1155-R1158 PolarHBondContact O-N 2.89Å; R1158-R1160 PolarHBondContact O-N 3.45Å
1159S53.2Low51.1Low82 Ų82106 Ų10657%0.57356%0.557SS**THydrogen-bonded Turntrans-67.7-16.6174.381.70000113.9N1155 F1156 E1157 T1161N1155-S1159 WeakPolarHBondContact O-CB 3.45Å; N1155-S1159 PolarHBondContact O-N 2.87Å; F1156-S1159 PolarHBondContact O-N 3.42Å; F1156-S1159 PolarHBondContact O-OG 3.05Å; E1157-S1159 PolarHBondContact O-N 2.73Å; S1159-T1161 PolarHBondContact O-N 3.21Å
1160R47.9Very low50.3Low103 Ų103107.1 Ų107.139%0.38957%0.568SS.*  trans-96.633.2-163.6-150.5179.8-177160.19.1114.7E1157 R1158 S1162 A1167E1157-R1160 VanDerWaalsContact O-CB 3.32Å; E1157-R1160 WeakPolarHBondContact O-CB 3.45Å; E1157-R1160 PolarHBondContact O-N 3.45Å; R1158-R1160 PolarHBondContact O-N 3.45Å; R1160-S1162 PolarHBondContact O-N 3.16Å; R1160-A1167 VanDerWaalsContact NH2-CB 3.34Å
1161T43.6Very low49.5Very low135 Ų135106 Ų10683%0.82856%0.559SS**SBendtrans-78.58.7174.951.20000114S1159S1159-T1161 PolarHBondContact O-N 3.21Å
1162S37.4Very low48.9Very low93 Ų93109.8 Ų109.865%0.6557%0.567SS**SBendtrans-141.7152.916973.60000113R1160R1160-S1162 PolarHBondContact O-N 3.16Å
1163F35.4Very low48.3Very low197 Ų197107.1 Ų107.186%0.86455%0.554SS**  trans67.4126-178.5-106.4-93.5000118.9
1164V36.8Very low48Very low148 Ų148110.1 Ų110.190%0.89757%0.571SS**  trans-107.6137.2-174.9174.10000110.8
1165G40.3Very low47.9Very low50 Ų50109.7 Ų109.752%0.51557%0.568SS.*  trans136.2134.9160.200000115.9
1166R34.9Very low47.9Very low256 Ų256111.6 Ų111.697%0.96657%0.568SS**SBendtrans58.259.2161.8-51.8-174.6-172.1-170.53.5117.7
1167A38.3Very low47.7Very low24 Ų24113.4 Ų113.420%0.19857%0.571CS.*  trans-145.413.6164.700000115R1160 C1169R1160-A1167 VanDerWaalsContact NH2-CB 3.34Å; A1167-C1169 VanDerWaalsContact C-N 3.35Å; A1167-C1169 PolarHBondContact O-N 2.89Å
1168T47.4Very low48Very low118 Ų118109.8 Ų109.872%0.72456%0.555SS**THydrogen-bonded Turntrans-77.4-8.4-164.141.50000116.2R1172T1168-R1172 WeakPolarHBondContact O-CD 3.45Å
1169C43.9Very low48.5Very low105 Ų105107.2 Ų107.271%0.70955%0.55SS**THydrogen-bonded Turntrans-94.6-46.2175.1-158.10000111.9A1167 R1172 E1173A1167-C1169 VanDerWaalsContact C-N 3.35Å; A1167-C1169 PolarHBondContact O-N 2.89Å; C1169-R1172 PolarHBondContact O-N 3.45Å; C1169-E1173 PolarHBondContact O-N 3Å
1170T43.4Very low48.9Very low107 Ų107111.6 Ų111.666%0.65655%0.554SS**Hα-helixtrans-64.4-45.2-175-16.10000112.4R1172 E1173 L1174T1170-R1172 VanDerWaalsContact C-N 3.33Å; T1170-R1172 PolarHBondContact O-N 2.82Å; T1170-E1173 PolarHBondContact O-N 2.65Å; T1170-L1174 PolarHBondContact O-N 2.82Å
1171N51.7Low49.5Very low29 Ų29110 Ų11016%0.15555%0.553CS.*Hα-helixtrans-59.4-41.6177.2-7849000112.1E1173 L1174 I1175N1171-E1173 VanDerWaalsContact C-N 3.32Å; N1171-E1173 PolarHBondContact O-N 2.9Å; N1171-L1174 PolarHBondContact O-N 3.05Å; N1171-I1175 VanDerWaalsContact O-CG1 3.31Å; N1171-I1175 WeakPolarHBondContact O-CG1 3.35Å; N1171-I1175 PolarHBondContact O-N 2.97Å
1172R53.5Low50.7Low179 Ų179106.6 Ų106.668%0.67554%0.535SS*.Hα-helixtrans-64.6-36.5179.1-73.6-177.7172.6-176.9-2.4112.6T1168 C1169 T1170 R1176T1168-R1172 WeakPolarHBondContact O-CD 3.45Å; C1169-R1172 PolarHBondContact O-N 3.45Å; T1170-R1172 VanDerWaalsContact C-N 3.33Å; T1170-R1172 PolarHBondContact O-N 2.82Å; R1172-R1176 WeakPolarHBondContact O-CD 3.24Å; R1172-R1176 VanDerWaalsContact O-CG 3.3Å; R1172-R1176 WeakPolarHBondContact O-CG 3.24Å; R1172-R1176 PolarHBondContact O-N 2.93Å
1173E49.9Very low52.1Low58 Ų58106.4 Ų106.427%0.27153%0.527SS..Hα-helixtrans-76.4-31.8177.8-170.555.1-155.700112.2C1169 T1170 N1171 R1176 R1177C1169-E1173 PolarHBondContact O-N 3Å; T1170-E1173 PolarHBondContact O-N 2.65Å; N1171-E1173 VanDerWaalsContact C-N 3.32Å; N1171-E1173 PolarHBondContact O-N 2.9Å; E1173-R1176 VanDerWaalsContact OE2-CD 3.27Å; E1173-R1176 WeakPolarHBondContact OE2-CD 3.46Å; E1173-R1176 IonicContact OE2-CZ 2.83Å; E1173-R1176 IonicContact OE2-NH1 2.62Å; E1173-R1176 PolarHBondContact OE2-NH1 3.17Å; E1173-R1177 VanDerWaalsContact O-CG 3.28Å; E1173-R1177 WeakPolarHBondContact O-CG 3.39Å; E1173-R1177 PolarHBondContact O-N 3.21Å; E1173-R1177 VanDerWaalsContact O-N 3.12Å; E1173-R1177 IonicContact OE1-NE 2.71Å
1174L55.4Low53.3Low87 Ų87103.9 Ų103.946%0.45551%0.512SS..Hα-helixtrans-66.5-46.4172.1-16963.8000111.8F1153 T1170 N1171 R1176 R1177 I1178F1153-L1174 HydrophobicContact CD2-CD2 3.88Å; F1153-L1174 HydrophobicContact CE2-CD2 4.15Å; T1170-L1174 PolarHBondContact O-N 2.82Å; N1171-L1174 PolarHBondContact O-N 3.05Å; L1174-R1176 VanDerWaalsContact C-N 3.32Å; L1174-R1176 PolarHBondContact O-N 3.12Å; L1174-R1177 WeakPolarHBondContact O-CB 3.2Å; L1174-R1177 PolarHBondContact O-N 2.86Å; L1174-I1178 HydrophobicContact CG-CD1 4.42Å; L1174-I1178 PolarHBondContact O-N 3.25Å
1175I60.5Low54.8Low57 Ų5797 Ų9729%0.29247%0.47SS..Hα-helixtrans-55.5-46.3174.5-68.7163.6000110.8F1153 N1171 R1177 I1178 Q1179F1153-I1175 HydrophobicContact CE1-CD1 4.06Å; F1153-I1175 HydrophobicContact CE1-CG1 3.78Å; F1153-I1175 HydrophobicContact CE2-CG1 4.22Å; F1153-I1175 HydrophobicContact CZ-CD1 3.74Å; F1153-I1175 HydrophobicContact CZ-CG1 3.54Å; N1171-I1175 VanDerWaalsContact O-CG1 3.31Å; N1171-I1175 WeakPolarHBondContact O-CG1 3.35Å; N1171-I1175 PolarHBondContact O-N 2.97Å; I1175-R1177 VanDerWaalsContact C-N 3.28Å; I1175-R1177 PolarHBondContact O-N 3.46Å; I1175-I1178 PolarHBondContact O-N 2.9Å; I1175-Q1179 HydrophobicContact CG2-CG 4.38Å; I1175-Q1179 WeakPolarHBondContact O-CB 3.4Å; I1175-Q1179 WeakPolarHBondContact O-CG 3.45Å; I1175-Q1179 PolarHBondContact O-N 2.83Å
1176R60.4Low56.2Low137 Ų137100.9 Ų100.952%0.51747%0.47SS..Hα-helixtrans-60.3-35.2176.2-75.3166.4174174.5-3.8113.2R1172 E1173 L1174 R1180R1172-R1176 WeakPolarHBondContact O-CD 3.24Å; R1172-R1176 VanDerWaalsContact O-CG 3.3Å; R1172-R1176 WeakPolarHBondContact O-CG 3.24Å; R1172-R1176 PolarHBondContact O-N 2.93Å; E1173-R1176 VanDerWaalsContact OE2-CD 3.27Å; E1173-R1176 WeakPolarHBondContact OE2-CD 3.46Å; E1173-R1176 IonicContact OE2-CZ 2.83Å; E1173-R1176 IonicContact OE2-NH1 2.62Å; E1173-R1176 PolarHBondContact OE2-NH1 3.17Å; L1174-R1176 VanDerWaalsContact C-N 3.32Å; L1174-R1176 PolarHBondContact O-N 3.12Å; R1176-R1180 WeakPolarHBondContact O-CB 3.42Å; R1176-R1180 VanDerWaalsContact O-CG 3.3Å; R1176-R1180 WeakPolarHBondContact O-CG 3.46Å; R1176-R1180 PolarHBondContact O-N 3.31Å
1177R54.6Low57.7Low148 Ų14892.8 Ų92.856%0.55845%0.445SS*.Hα-helixtrans-70.7-44.4177.8-72.5168-177.2-145.7-1.1111.2E1173 L1174 I1175 Q1179 R1180 L1181E1173-R1177 VanDerWaalsContact O-CG 3.28Å; E1173-R1177 WeakPolarHBondContact O-CG 3.39Å; E1173-R1177 PolarHBondContact O-N 3.21Å; E1173-R1177 VanDerWaalsContact O-N 3.12Å; E1173-R1177 IonicContact OE1-NE 2.71Å; L1174-R1177 WeakPolarHBondContact O-CB 3.2Å; L1174-R1177 PolarHBondContact O-N 2.86Å; I1175-R1177 VanDerWaalsContact C-N 3.28Å; I1175-R1177 PolarHBondContact O-N 3.46Å; R1177-Q1179 PolarHBondContact O-N 2.84Å; R1177-R1180 PolarHBondContact O-N 3.46Å; R1177-L1181 WeakPolarHBondContact O-CG 3.34Å; R1177-L1181 PolarHBondContact O-N 3.38Å
1178I63.5Low59Low25 Ų2593 Ų9313%0.12845%0.445CS..Hα-helixtrans-60.3-45.8173.6-63170.7000110.4F1153 L1174 I1175 R1180 L1181 S1182F1153-I1178 HydrophobicContact CB-CD1 4.23Å; F1153-I1178 HydrophobicContact CG-CD1 4.39Å; L1174-I1178 HydrophobicContact CG-CD1 4.42Å; L1174-I1178 PolarHBondContact O-N 3.25Å; I1175-I1178 PolarHBondContact O-N 2.9Å; I1178-R1180 VanDerWaalsContact C-N 3.33Å; I1178-R1180 PolarHBondContact O-N 3.3Å; I1178-L1181 PolarHBondContact O-N 2.88Å; I1178-S1182 WeakPolarHBondContact O-CB 3.33Å; I1178-S1182 PolarHBondContact O-N 3.29Å
1179Q66.8Low60.2Low114 Ų11491.3 Ų91.353%0.53343%0.431SS..Hα-helixtrans-62.1-35175.4-73.9177.4-22.300113.5I1175 R1177 N1183I1175-Q1179 HydrophobicContact CG2-CG 4.38Å; I1175-Q1179 WeakPolarHBondContact O-CB 3.4Å; I1175-Q1179 WeakPolarHBondContact O-CG 3.45Å; I1175-Q1179 PolarHBondContact O-N 2.83Å; R1177-Q1179 PolarHBondContact O-N 2.84Å; Q1179-N1183 WeakPolarHBondContact O-CB 3.16Å; Q1179-N1183 PolarHBondContact O-N 2.74Å; Q1179-N1183 VanDerWaalsContact O-N 3.09Å; Q1179-N1183 PolarHBondContact O-ND2 3.18Å
1180R60.9Low61.5Low174 Ų17490.5 Ų90.566%0.65742%0.417SS*.Hα-helixtrans-69.1-41.5173.3-79.5175.3178.7-179.70.3112R1176 R1177 I1178 N1183 Y1184R1176-R1180 WeakPolarHBondContact O-CB 3.42Å; R1176-R1180 VanDerWaalsContact O-CG 3.3Å; R1176-R1180 WeakPolarHBondContact O-CG 3.46Å; R1176-R1180 PolarHBondContact O-N 3.31Å; R1177-R1180 PolarHBondContact O-N 3.46Å; I1178-R1180 VanDerWaalsContact C-N 3.33Å; I1178-R1180 PolarHBondContact O-N 3.3Å; R1180-N1183 PolarHBondContact O-N 2.91Å; R1180-Y1184 WeakPolarHBondContact O-CB 3.24Å; R1180-Y1184 PolarHBondContact O-N 3.32Å
1181L62.1Low62.6Low68 Ų6889.6 Ų89.636%0.35641%0.408SS..Hα-helixtrans-67.1-41.9177.9-68.4164.2000111.6V1146 R1177 I1178 Y1184 C1185V1146-L1181 HydrophobicContact CG2-CB 3.71Å; R1177-L1181 WeakPolarHBondContact O-CG 3.34Å; R1177-L1181 PolarHBondContact O-N 3.38Å; I1178-L1181 PolarHBondContact O-N 2.88Å; L1181-Y1184 WeakPolarHBondContact O-CB 3.4Å; L1181-Y1184 PolarHBondContact O-N 2.95Å; L1181-Y1184 VanDerWaalsContact O-N 3.14Å; L1181-C1185 PolarHBondContact O-N 2.59Å; L1181-C1185 PolarHBondContact O-SG 2.81Å
1182S67.9Low63.5Low65 Ų6588.6 Ų88.646%0.45540%0.403SS..Hα-helixtrans-62.5-41.9173.7174.60000112.4I1178 Y1184 C1185 R1186I1178-S1182 WeakPolarHBondContact O-CB 3.33Å; I1178-S1182 PolarHBondContact O-N 3.29Å; S1182-Y1184 VanDerWaalsContact C-N 3.31Å; S1182-Y1184 PolarHBondContact O-N 3.05Å; S1182-C1185 PolarHBondContact O-N 3.38Å; S1182-R1186 PolarHBondContact O-N 2.89Å; S1182-R1186 VanDerWaalsContact O-N 3.09Å
1183N66.8Low64.4Low89 Ų8986.4 Ų86.448%0.47640%0.4SS..Hα-helixtrans-64.7-34.2172-82.1-58000112.8Q1179 R1180 R1186 I1187Q1179-N1183 WeakPolarHBondContact O-CB 3.16Å; Q1179-N1183 PolarHBondContact O-N 2.74Å; Q1179-N1183 VanDerWaalsContact O-N 3.09Å; Q1179-N1183 PolarHBondContact O-ND2 3.18Å; R1180-N1183 PolarHBondContact O-N 2.91Å; N1183-R1186 PolarHBondContact O-N 3.05Å; N1183-I1187 VanDerWaalsContact O-CG1 3.32Å; N1183-I1187 WeakPolarHBondContact O-CG1 3.18Å; N1183-I1187 PolarHBondContact O-N 3.17Å; N1183-I1187 VanDerWaalsContact O-N 3.09Å
1184Y60.9Low65.4Low143 Ų14387.5 Ų87.556%0.56141%0.407SS*.Hα-helixtrans-66.2-45.8175.3-171.9-91.2000111.2L1142 R1180 L1181 S1182 R1186 I1187 S1188L1142-Y1184 HydrophobicContact CD2-CD1 3.85Å; L1142-Y1184 HydrophobicContact CD2-CE1 4.24Å; R1180-Y1184 WeakPolarHBondContact O-CB 3.24Å; R1180-Y1184 PolarHBondContact O-N 3.32Å; L1181-Y1184 WeakPolarHBondContact O-CB 3.4Å; L1181-Y1184 PolarHBondContact O-N 2.95Å; L1181-Y1184 VanDerWaalsContact O-N 3.14Å; S1182-Y1184 VanDerWaalsContact C-N 3.31Å; S1182-Y1184 PolarHBondContact O-N 3.05Å; Y1184-R1186 VanDerWaalsContact C-N 3.32Å; Y1184-R1186 PolarHBondContact O-N 3.43Å; Y1184-I1187 PolarHBondContact O-N 3.16Å; Y1184-I1187 VanDerWaalsContact O-N 3.12Å; Y1184-S1188 PolarHBondContact O-N 2.92Å; Y1184-S1188 PolarHBondContact O-OG 3.13Å
1185C67.4Low65.7Low3 Ų384.4 Ų84.42%0.0239%0.394CS..Hα-helixtrans-53.2-50.5172.9-60.50000110.7L1139 E1143 L1181 S1182 I1187 S1188 D1189L1139-C1185 HydrophobicContact CD1-CB 3.94Å; E1143-C1185 HydrophobicContact CG-CB 4.27Å; L1181-C1185 PolarHBondContact O-N 2.59Å; L1181-C1185 PolarHBondContact O-SG 2.81Å; S1182-C1185 PolarHBondContact O-N 3.38Å; C1185-I1187 VanDerWaalsContact C-N 3.28Å; C1185-I1187 PolarHBondContact O-N 3.16Å; C1185-S1188 PolarHBondContact O-N 2.78Å; C1185-S1188 VanDerWaalsContact O-N 3.15Å; C1185-D1189 WeakPolarHBondContact O-CB 3.37Å; C1185-D1189 PolarHBondContact O-N 3.07Å
1186R70.6Confident66.3Low133 Ų13384.5 Ų84.550%0.50240%0.397SS..Hα-helixtrans-60.3-33.4179.2-157.7-171.572.670.210.1113.6S1182 N1183 Y1184 Q1190S1182-R1186 PolarHBondContact O-N 2.89Å; S1182-R1186 VanDerWaalsContact O-N 3.09Å; N1183-R1186 PolarHBondContact O-N 3.05Å; Y1184-R1186 VanDerWaalsContact C-N 3.32Å; Y1184-R1186 PolarHBondContact O-N 3.43Å; R1186-Q1190 WeakPolarHBondContact O-CG 3.39Å; R1186-Q1190 PolarHBondContact O-N 3.35Å
1187I66.1Low67Low85 Ų8584.3 Ų84.344%0.43640%0.402SS..Hα-helixtrans-76.6-40176.5-69.5165.3000110.8N1183 Y1184 C1185 D1189 Q1190 N1191N1183-I1187 VanDerWaalsContact O-CG1 3.32Å; N1183-I1187 WeakPolarHBondContact O-CG1 3.18Å; N1183-I1187 PolarHBondContact O-N 3.17Å; N1183-I1187 VanDerWaalsContact O-N 3.09Å; Y1184-I1187 PolarHBondContact O-N 3.16Å; Y1184-I1187 VanDerWaalsContact O-N 3.12Å; C1185-I1187 VanDerWaalsContact C-N 3.28Å; C1185-I1187 PolarHBondContact O-N 3.16Å; I1187-D1189 VanDerWaalsContact C-N 3.32Å; I1187-D1189 PolarHBondContact O-N 2.94Å; I1187-Q1190 PolarHBondContact O-N 3.08Å; I1187-N1191 VanDerWaalsContact O-CG 3.27Å; I1187-N1191 PolarHBondContact O-N 2.92Å; I1187-N1191 PolarHBondContact O-ND2 3.36Å; I1187-N1191 VanDerWaalsContact O-ND2 3.12Å
1188S65.4Low67.6Low29 Ų2983.6 Ų83.620%0.20340%0.4CS..Hα-helixtrans-61.5-39.3173.8-72.60000112.5Y1184 C1185 N1191 L1192Y1184-S1188 PolarHBondContact O-N 2.92Å; Y1184-S1188 PolarHBondContact O-OG 3.13Å; C1185-S1188 PolarHBondContact O-N 2.78Å; C1185-S1188 VanDerWaalsContact O-N 3.15Å; S1188-N1191 PolarHBondContact O-N 2.74Å; S1188-L1192 PolarHBondContact O-N 3.01Å
1189D72.1Confident68Low82 Ų8283.2 Ų83.244%0.43940%0.398SS..Hα-helixtrans-64-47.7178-151.440.2000111.2L1139 C1185 I1187 N1191 L1192 E1193L1139-D1189 HydrophobicContact CD2-CB 3.93Å; L1139-D1189 WeakPolarHBondContact CD2-OD1 3.31Å; C1185-D1189 WeakPolarHBondContact O-CB 3.37Å; C1185-D1189 PolarHBondContact O-N 3.07Å; I1187-D1189 VanDerWaalsContact C-N 3.32Å; I1187-D1189 PolarHBondContact O-N 2.94Å; D1189-N1191 VanDerWaalsContact C-N 3.31Å; D1189-N1191 PolarHBondContact O-N 2.91Å; D1189-L1192 WeakPolarHBondContact O-CB 3.37Å; D1189-L1192 PolarHBondContact O-N 2.71Å; D1189-E1193 PolarHBondContact O-N 3.38Å
1190Q72.6Confident68.3Low88 Ų8882 Ų8241%0.41140%0.395SS..Hα-helixtrans-61.3-36.2173.7-67.8-167.6-8800112.9R1186 I1187 L1192 I1194R1186-Q1190 WeakPolarHBondContact O-CG 3.39Å; R1186-Q1190 PolarHBondContact O-N 3.35Å; I1187-Q1190 PolarHBondContact O-N 3.08Å; Q1190-L1192 VanDerWaalsContact C-N 3.32Å; Q1190-I1194 WeakPolarHBondContact O-CD1 3.25Å; Q1190-I1194 WeakPolarHBondContact O-CG1 3.48Å; Q1190-I1194 PolarHBondContact O-N 3.33Å
1191N65.3Low68.8Low89 Ų8976.8 Ų76.848%0.47639%0.389SS..Hα-helixtrans-67.6-32.8174.5-72.4-35000112.2I1187 S1188 D1189 A1195I1187-N1191 VanDerWaalsContact O-CG 3.27Å; I1187-N1191 PolarHBondContact O-N 2.92Å; I1187-N1191 PolarHBondContact O-ND2 3.36Å; I1187-N1191 VanDerWaalsContact O-ND2 3.12Å; S1188-N1191 PolarHBondContact O-N 2.74Å; D1189-N1191 VanDerWaalsContact C-N 3.31Å; D1189-N1191 PolarHBondContact O-N 2.91Å; N1191-A1195 WeakPolarHBondContact O-CB 3.18Å; N1191-A1195 PolarHBondContact O-N 2.86Å
1192L71Confident69.1Low7 Ų775.8 Ų75.84%0.03738%0.384CS..Hα-helixtrans-72.5-37.2178.2-156.597000111.8I1132 Q1135 Q1136 S1188 D1189 Q1190 A1195 T1196I1132-L1192 HydrophobicContact CG2-CD1 4.06Å; I1132-L1192 HydrophobicContact CG2-CD2 4.37Å; I1132-L1192 HydrophobicContact CG2-CG 4.09Å; Q1135-L1192 HydrophobicContact CB-CD1 3.54Å; Q1136-L1192 HydrophobicContact CB-CD1 4.34Å; Q1136-L1192 HydrophobicContact CB-CD2 3.94Å; Q1136-L1192 VanDerWaalsContact CD-CD2 3.47Å; Q1136-L1192 HydrophobicContact CG-CD2 4.28Å; S1188-L1192 PolarHBondContact O-N 3.01Å; D1189-L1192 WeakPolarHBondContact O-CB 3.37Å; D1189-L1192 PolarHBondContact O-N 2.71Å; Q1190-L1192 VanDerWaalsContact C-N 3.32Å; L1192-A1195 PolarHBondContact O-N 3.44Å; L1192-T1196 WeakPolarHBondContact O-CB 3.42Å; L1192-T1196 PolarHBondContact O-N 3.13Å; L1192-T1196 PolarHBondContact O-OG1 3.04Å
1193E73.3Confident69.5Low133 Ų13376.6 Ų76.662%0.62138%0.38SS*.Hα-helixtrans-60-51.3173-164.6169.6-137.400110.5D1189 A1195 T1196 E1197D1189-E1193 PolarHBondContact O-N 3.38Å; E1193-A1195 VanDerWaalsContact C-N 3.33Å; E1193-A1195 PolarHBondContact O-N 2.93Å; E1193-T1196 WeakPolarHBondContact O-CB 3.43Å; E1193-T1196 PolarHBondContact O-N 2.82Å; E1193-E1197 PolarHBondContact O-N 2.99Å
1194I69.1Low70Confident82 Ų8278.8 Ų78.842%0.42139%0.386SS..Hα-helixtrans-59.9-39.8174.5-65.6164.8000112Q1190 T1196 E1197 R1198Q1190-I1194 WeakPolarHBondContact O-CD1 3.25Å; Q1190-I1194 WeakPolarHBondContact O-CG1 3.48Å; Q1190-I1194 PolarHBondContact O-N 3.33Å; I1194-T1196 VanDerWaalsContact C-N 3.3Å; I1194-T1196 PolarHBondContact O-N 2.84Å; I1194-E1197 PolarHBondContact O-N 3.01Å; I1194-R1198 PolarHBondContact O-N 2.9Å; I1194-R1198 VanDerWaalsContact O-N 3.13Å
1195A63Low70.5Confident22 Ų2274.4 Ų74.418%0.18237%0.372CS..Hα-helixtrans-65.6-35.4176.300000111.8I1132 N1191 L1192 E1193 R1198 I1199I1132-A1195 HydrophobicContact CD1-CB 3.48Å; I1132-A1195 VanDerWaalsContact CD1-CB 3.48Å; I1132-A1195 WeakPolarHBondContact CD1-O 3.5Å; I1132-A1195 HydrophobicContact CG1-CB 3.84Å; N1191-A1195 WeakPolarHBondContact O-CB 3.18Å; N1191-A1195 PolarHBondContact O-N 2.86Å; L1192-A1195 PolarHBondContact O-N 3.44Å; E1193-A1195 VanDerWaalsContact C-N 3.33Å; E1193-A1195 PolarHBondContact O-N 2.93Å; A1195-R1198 WeakPolarHBondContact O-CB 3.17Å; A1195-R1198 PolarHBondContact O-N 2.84Å; A1195-I1199 PolarHBondContact O-N 3.42Å; A1195-I1199 VanDerWaalsContact O-N 3.11Å
1196T73.7Confident70.7Confident58 Ų5875 Ų7536%0.35638%0.375SS..Hα-helixtrans-68.6-41.6177.4-56.80000111.3L1192 E1193 I1194 R1198 I1199 N1200L1192-T1196 WeakPolarHBondContact O-CB 3.42Å; L1192-T1196 PolarHBondContact O-N 3.13Å; L1192-T1196 PolarHBondContact O-OG1 3.04Å; E1193-T1196 WeakPolarHBondContact O-CB 3.43Å; E1193-T1196 PolarHBondContact O-N 2.82Å; I1194-T1196 VanDerWaalsContact C-N 3.3Å; I1194-T1196 PolarHBondContact O-N 2.84Å; T1196-R1198 VanDerWaalsContact C-N 3.33Å; T1196-R1198 PolarHBondContact O-N 2.88Å; T1196-I1199 PolarHBondContact O-N 3.13Å; T1196-I1199 VanDerWaalsContact O-N 3.17Å; T1196-N1200 PolarHBondContact O-N 2.81Å; T1196-N1200 PolarHBondContact O-ND2 3.19Å
1197E73.6Confident70.9Confident134 Ų13473.7 Ų73.763%0.62638%0.376SS*.Hα-helixtrans-59.1-41.8171.8-68.4-167.5133.800112.3E1193 I1194 I1199 N1200 A1201E1193-E1197 PolarHBondContact O-N 2.99Å; I1194-E1197 PolarHBondContact O-N 3.01Å; E1197-I1199 VanDerWaalsContact C-N 3.34Å; E1197-I1199 PolarHBondContact O-N 2.89Å; E1197-N1200 PolarHBondContact O-N 2.81Å; E1197-A1201 PolarHBondContact O-N 2.94Å
1198R67.9Low71.3Confident133 Ų13373.6 Ų73.650%0.50238%0.377SS..Hα-helixtrans-60.6-39.5174-73.3178.8175.9175.93.2112.7Q1030 I1194 A1195 T1196 A1201 L1202Q1030-R1198 VanDerWaalsContact OE1-CZ 3.23Å; I1194-R1198 PolarHBondContact O-N 2.9Å; I1194-R1198 VanDerWaalsContact O-N 3.13Å; A1195-R1198 WeakPolarHBondContact O-CB 3.17Å; A1195-R1198 PolarHBondContact O-N 2.84Å; T1196-R1198 VanDerWaalsContact C-N 3.33Å; T1196-R1198 PolarHBondContact O-N 2.88Å; R1198-A1201 PolarHBondContact O-N 2.96Å; R1198-L1202 WeakPolarHBondContact O-CB 3.42Å; R1198-L1202 VanDerWaalsContact O-CG 3.32Å; R1198-L1202 WeakPolarHBondContact O-CG 3.49Å; R1198-L1202 PolarHBondContact O-N 3.31Å
1199I72.1Confident71.4Confident16 Ų1673.7 Ų73.78%0.08238%0.375CS..Hα-helixtrans-64.9-43.4175.4-69.2-169.9000110.9L1125 K1129 I1132 A1195 T1196 E1197 A1201 L1202 Q1203L1125-I1199 HydrophobicContact CD1-CG2 4.08Å; K1129-I1199 HydrophobicContact CB-CD1 4.41Å; K1129-I1199 HydrophobicContact CG-CD1 4.04Å; I1132-I1199 HydrophobicContact CD1-CD1 3.47Å; I1132-I1199 VanDerWaalsContact CD1-CD1 3.47Å; I1132-I1199 HydrophobicContact CD1-CG1 4.02Å; I1132-I1199 HydrophobicContact CG1-CD1 4.23Å; A1195-I1199 PolarHBondContact O-N 3.42Å; A1195-I1199 VanDerWaalsContact O-N 3.11Å; T1196-I1199 PolarHBondContact O-N 3.13Å; T1196-I1199 VanDerWaalsContact O-N 3.17Å; E1197-I1199 VanDerWaalsContact C-N 3.34Å; E1197-I1199 PolarHBondContact O-N 2.89Å; I1199-A1201 VanDerWaalsContact C-N 3.3Å; I1199-A1201 PolarHBondContact O-N 2.85Å; I1199-L1202 PolarHBondContact O-N 3.43Å; I1199-Q1203 HydrophobicContact CG2-CG 4.4Å; I1199-Q1203 WeakPolarHBondContact O-CG 3.43Å; I1199-Q1203 PolarHBondContact O-N 3.43Å
1200N73.5Confident71.6Confident90 Ų9073.4 Ų73.448%0.48137%0.371SS..Hα-helixtrans-60.8-40.2177-66.9-29000111.7T1196 E1197 Q1203 K1204T1196-N1200 PolarHBondContact O-N 2.81Å; T1196-N1200 PolarHBondContact O-ND2 3.19Å; E1197-N1200 PolarHBondContact O-N 2.81Å; N1200-Q1203 PolarHBondContact O-N 3.29Å; N1200-K1204 PolarHBondContact O-N 2.62Å; N1200-K1204 VanDerWaalsContact O-N 3.11Å
1201A70Confident71.8Confident63 Ų6371.6 Ų71.652%0.52137%0.368SS..Hα-helixtrans-64.8-43.2174.600000112.6E1197 R1198 I1199 K1204 L1205E1197-A1201 PolarHBondContact O-N 2.94Å; R1198-A1201 PolarHBondContact O-N 2.96Å; I1199-A1201 VanDerWaalsContact C-N 3.3Å; I1199-A1201 PolarHBondContact O-N 2.85Å; A1201-K1204 PolarHBondContact O-N 2.73Å; A1201-L1205 PolarHBondContact O-N 2.7Å
1202L68.6Low72.1Confident48 Ų4870 Ų7025%0.25136%0.361SS..Hα-helixtrans-67.1-37.3176.4-71.8167.8000112.5L1121 L1125 R1198 I1199 L1205 N1206L1121-L1202 HydrophobicContact CD2-CB 4.3Å; L1121-L1202 HydrophobicContact CD2-CD2 4.02Å; L1121-L1202 VanDerWaalsContact CD2-O 3.24Å; L1121-L1202 WeakPolarHBondContact CD2-O 3.3Å; L1121-L1202 HydrophobicContact CG-CD2 4.42Å; L1125-L1202 HydrophobicContact CD1-CB 3.5Å; R1198-L1202 WeakPolarHBondContact O-CB 3.42Å; R1198-L1202 VanDerWaalsContact O-CG 3.32Å; R1198-L1202 WeakPolarHBondContact O-CG 3.49Å; R1198-L1202 PolarHBondContact O-N 3.31Å; I1199-L1202 PolarHBondContact O-N 3.43Å; L1202-L1205 PolarHBondContact O-N 2.9Å; L1202-N1206 PolarHBondContact O-N 3.11Å
1203Q75.7Confident71.9Confident81 Ų8170.2 Ų70.238%0.37936%0.364SS..Hα-helixtrans-60.6-45.5172.9-80.4-173.8-56.700111.7L1125 I1199 N1200 N1206 I1207L1125-Q1203 HydrophobicContact CD1-CG 3.85Å; L1125-Q1203 HydrophobicContact CD2-CG 3.61Å; L1125-Q1203 HydrophobicContact CG-CG 4.3Å; I1199-Q1203 HydrophobicContact CG2-CG 4.4Å; I1199-Q1203 WeakPolarHBondContact O-CG 3.43Å; I1199-Q1203 PolarHBondContact O-N 3.43Å; N1200-Q1203 PolarHBondContact O-N 3.29Å; Q1203-N1206 PolarHBondContact O-N 2.74Å; Q1203-I1207 WeakPolarHBondContact O-CG1 3.5Å; Q1203-I1207 PolarHBondContact O-N 3.37Å
1204K77.8Confident72Confident136 Ų13669 Ų6959%0.59136%0.362SS*.Hα-helixtrans-61.5-46.6176.3-172.2-173170.8-167.70111.2N1200 A1201 N1206 I1207 D1208N1200-K1204 PolarHBondContact O-N 2.62Å; N1200-K1204 VanDerWaalsContact O-N 3.11Å; A1201-K1204 PolarHBondContact O-N 2.73Å; K1204-N1206 VanDerWaalsContact C-N 3.27Å; K1204-N1206 PolarHBondContact O-N 2.57Å; K1204-I1207 PolarHBondContact O-N 3.17Å; K1204-I1207 VanDerWaalsContact O-N 3.13Å; K1204-D1208 WeakPolarHBondContact CE-OD2 3.15Å; K1204-D1208 PolarHBondContact O-N 3.4Å
1205L71.1Confident72.2Confident51 Ų5170.3 Ų70.327%0.26737%0.365SS..Hα-helixtrans-58.6-38.1177.6-178.859.1000112.2L1121 A1201 L1202 D1208 L1209L1121-L1205 HydrophobicContact CD1-CD2 3.96Å; L1121-L1205 HydrophobicContact CD1-CG 4.29Å; L1121-L1205 HydrophobicContact CD2-CB 4.16Å; L1121-L1205 HydrophobicContact CD2-CD2 4.18Å; L1121-L1205 HydrophobicContact CD2-CG 4.14Å; A1201-L1205 PolarHBondContact O-N 2.7Å; L1202-L1205 PolarHBondContact O-N 2.9Å; L1205-D1208 PolarHBondContact O-N 2.89Å; L1205-L1209 HydrophobicContact CD1-CD1 4.28Å; L1205-L1209 HydrophobicContact CD1-CG 4.29Å; L1205-L1209 HydrophobicContact CG-CD1 4.06Å; L1205-L1209 WeakPolarHBondContact O-CB 3.32Å; L1205-L1209 VanDerWaalsContact O-CG 3.23Å; L1205-L1209 WeakPolarHBondContact O-CG 3.48Å; L1205-L1209 PolarHBondContact O-N 3.23Å
1206N71.6Confident72.6Confident16 Ų1670.3 Ų70.39%0.08636%0.361CS..Hα-helixtrans-64.6-41.8176.1-160.851.1000112.4L1121 E1122 L1202 Q1203 K1204 L1209 Q1210L1121-N1206 HydrophobicContact CD2-CB 4.07Å; E1122-N1206 VanDerWaalsContact CG-ND2 3.34Å; E1122-N1206 WeakPolarHBondContact CG-ND2 3.45Å; E1122-N1206 PolarHBondContact OE1-ND2 3.47Å; L1202-N1206 PolarHBondContact O-N 3.11Å; Q1203-N1206 PolarHBondContact O-N 2.74Å; K1204-N1206 VanDerWaalsContact C-N 3.27Å; K1204-N1206 PolarHBondContact O-N 2.57Å; N1206-L1209 PolarHBondContact O-N 3.45Å; N1206-Q1210 PolarHBondContact ND2-NE2 3.4Å; N1206-Q1210 WeakPolarHBondContact O-CB 3.39Å; N1206-Q1210 VanDerWaalsContact O-CG 3.3Å; N1206-Q1210 WeakPolarHBondContact O-CG 3.17Å; N1206-Q1210 PolarHBondContact O-N 3.37Å
1207I75.8Confident72.5Confident105 Ų10571.6 Ų71.654%0.53837%0.365SS..Hα-helixtrans-64.2-43.1176.4-65164.7000111Q1203 K1204 L1209 Q1210 S1211Q1203-I1207 WeakPolarHBondContact O-CG1 3.5Å; Q1203-I1207 PolarHBondContact O-N 3.37Å; K1204-I1207 PolarHBondContact O-N 3.17Å; K1204-I1207 VanDerWaalsContact O-N 3.13Å; I1207-L1209 VanDerWaalsContact C-N 3.33Å; I1207-L1209 PolarHBondContact O-N 2.91Å; I1207-Q1210 PolarHBondContact O-N 2.94Å; I1207-S1211 WeakPolarHBondContact O-CB 3.46Å; I1207-S1211 PolarHBondContact O-N 3.09Å
1208D73.3Confident72.5Confident82 Ų8268.8 Ų68.844%0.43936%0.361SS..Hα-helixtrans-66.2-34.9178.4-70.3-31.3000111.7K1204 L1205 T1212K1204-D1208 WeakPolarHBondContact CE-OD2 3.15Å; K1204-D1208 PolarHBondContact O-N 3.4Å; L1205-D1208 PolarHBondContact O-N 2.89Å; D1208-T1212 WeakPolarHBondContact O-CB 3.32Å; D1208-T1212 PolarHBondContact O-N 2.96Å; D1208-T1212 PolarHBondContact O-OG1 3.2Å
1209L69.5Low72.6Confident32 Ų3264.6 Ų64.617%0.16835%0.35CS..Hα-helixtrans-69.8-46.3172.5-71.5166.8000112.3L1114 I1118 L1121 L1205 N1206 I1207 S1211 T1212 A1213L1114-L1209 HydrophobicContact CD2-CB 4.28Å; L1114-L1209 HydrophobicContact CD2-CD2 3.64Å; I1118-L1209 HydrophobicContact CD1-CB 4.19Å; I1118-L1209 HydrophobicContact CG1-CB 3.77Å; L1121-L1209 HydrophobicContact CD1-CD1 3.83Å; L1205-L1209 HydrophobicContact CD1-CD1 4.28Å; L1205-L1209 HydrophobicContact CD1-CG 4.29Å; L1205-L1209 HydrophobicContact CG-CD1 4.06Å; L1205-L1209 WeakPolarHBondContact O-CB 3.32Å; L1205-L1209 VanDerWaalsContact O-CG 3.23Å; L1205-L1209 WeakPolarHBondContact O-CG 3.48Å; L1205-L1209 PolarHBondContact O-N 3.23Å; N1206-L1209 PolarHBondContact O-N 3.45Å; I1207-L1209 VanDerWaalsContact C-N 3.33Å; I1207-L1209 PolarHBondContact O-N 2.91Å; L1209-S1211 PolarHBondContact O-N 2.72Å; L1209-T1212 CarbonylContact O-C 3.56Å; L1209-T1212 WeakPolarHBondContact O-CA 3.22Å; L1209-T1212 WeakPolarHBondContact O-CB 3.48Å; L1209-T1212 PolarHBondContact O-N 2.88Å; L1209-A1213 PolarHBondContact O-N 3.43Å
1210Q74.6Confident72.2Confident75 Ų7564.5 Ų64.535%0.3535%0.349SS..Hα-helixtrans-57.9-46.3175.9-74.3172.5-11.900111.1I1118 E1122 N1206 I1207 T1212 A1213 D1214I1118-Q1210 HydrophobicContact CD1-CG 3.92Å; I1118-Q1210 HydrophobicContact CG1-CG 4.31Å; I1118-Q1210 HydrophobicContact CG2-CG 4.25Å; E1122-Q1210 PolarHBondContact OE1-NE2 2.9Å; N1206-Q1210 PolarHBondContact ND2-NE2 3.4Å; N1206-Q1210 WeakPolarHBondContact O-CB 3.39Å; N1206-Q1210 VanDerWaalsContact O-CG 3.3Å; N1206-Q1210 WeakPolarHBondContact O-CG 3.17Å; N1206-Q1210 PolarHBondContact O-N 3.37Å; I1207-Q1210 PolarHBondContact O-N 2.94Å; Q1210-T1212 PolarHBondContact O-N 3.34Å; Q1210-T1212 VanDerWaalsContact O-N 3.15Å; Q1210-A1213 WeakPolarHBondContact O-CB 3.44Å; Q1210-A1213 PolarHBondContact O-N 3.37Å; Q1210-A1213 VanDerWaalsContact O-N 3.08Å; Q1210-D1214 PolarHBondContact O-N 2.87Å
1211S76.7Confident72.1Confident50 Ų5065.9 Ų65.935%0.3535%0.352SS..Hα-helixtrans-61.6-23.4173.8-172.10000113.8I1207 L1209 K1215I1207-S1211 WeakPolarHBondContact O-CB 3.46Å; I1207-S1211 PolarHBondContact O-N 3.09Å; L1209-S1211 PolarHBondContact O-N 2.72Å; S1211-K1215 WeakPolarHBondContact O-CD 3.22Å; S1211-K1215 WeakPolarHBondContact O-CG 3.44Å
1212T71.7Confident72.1Confident56 Ų5664.4 Ų64.434%0.34434%0.337SS..Hα-helixtrans-83.5-34.4175.7-57.90000111.6L1114 D1208 L1209 Q1210 K1215 Q1216L1114-T1212 HydrophobicContact CD1-CG2 3.96Å; L1114-T1212 HydrophobicContact CD2-CG2 4.19Å; D1208-T1212 WeakPolarHBondContact O-CB 3.32Å; D1208-T1212 PolarHBondContact O-N 2.96Å; D1208-T1212 PolarHBondContact O-OG1 3.2Å; L1209-T1212 CarbonylContact O-C 3.56Å; L1209-T1212 WeakPolarHBondContact O-CA 3.22Å; L1209-T1212 WeakPolarHBondContact O-CB 3.48Å; L1209-T1212 PolarHBondContact O-N 2.88Å; Q1210-T1212 PolarHBondContact O-N 3.34Å; Q1210-T1212 VanDerWaalsContact O-N 3.15Å; T1212-K1215 PolarHBondContact O-N 3.38Å; T1212-Q1216 PolarHBondContact O-N 3.41Å
1213A68.5Low71.7Confident12 Ų1262.3 Ų62.310%0.09933%0.327CS..Hα-helixtrans-63.3-47.3171.300000111.6L1111 L1114 I1118 L1209 Q1210 K1215 Q1216 L1217L1111-A1213 HydrophobicContact CD1-CB 3.87Å; L1111-A1213 WeakPolarHBondContact CD1-O 3.43Å; L1114-A1213 HydrophobicContact CB-CB 4.39Å; I1118-A1213 HydrophobicContact CD1-CB 4.21Å; L1209-A1213 PolarHBondContact O-N 3.43Å; Q1210-A1213 WeakPolarHBondContact O-CB 3.44Å; Q1210-A1213 PolarHBondContact O-N 3.37Å; Q1210-A1213 VanDerWaalsContact O-N 3.08Å; A1213-K1215 VanDerWaalsContact C-N 3.26Å; A1213-K1215 PolarHBondContact O-N 3.21Å; A1213-Q1216 WeakPolarHBondContact O-CA 3.39Å; A1213-Q1216 WeakPolarHBondContact O-CB 3.41Å; A1213-Q1216 PolarHBondContact O-N 3.21Å; A1213-L1217 PolarHBondContact O-N 3.14Å
1214D73.9Confident71.2Confident108 Ų10862 Ų6258%0.57833%0.325SS*.Hα-helixtrans-53.9-41.3175.7-72-28000112.6Q1210 L1217 S1218Q1210-D1214 PolarHBondContact O-N 2.87Å; D1214-L1217 PolarHBondContact O-N 3.2Å; D1214-S1218 PolarHBondContact O-N 3.01Å
1215K74.3Confident70.8Confident108 Ų10861.4 Ų61.447%0.4733%0.325SS..Hα-helixtrans-66.3-37.1176-72.8166.7-172.51530112.3S1211 T1212 A1213 T1219S1211-K1215 WeakPolarHBondContact O-CD 3.22Å; S1211-K1215 WeakPolarHBondContact O-CG 3.44Å; T1212-K1215 PolarHBondContact O-N 3.38Å; A1213-K1215 VanDerWaalsContact C-N 3.26Å; A1213-K1215 PolarHBondContact O-N 3.21Å; K1215-T1219 WeakPolarHBondContact O-CB 3.45Å; K1215-T1219 PolarHBondContact O-N 3.22Å; K1215-T1219 VanDerWaalsContact O-N 3.12Å; K1215-T1219 PolarHBondContact O-OG1 3.28Å
1216Q71.4Confident70.3Confident23 Ų2360.3 Ų60.311%0.10732%0.319CS..Hα-helixtrans-67.9-43173.8-70.9-58.7-54.100111.2L1111 L1114 T1212 A1213 S1218 T1219 I1220L1111-Q1216 HydrophobicContact CB-CB 4.48Å; L1111-Q1216 HydrophobicContact CD1-CB 4Å; L1114-Q1216 HydrophobicContact CD1-CG 4.04Å; T1212-Q1216 PolarHBondContact O-N 3.41Å; A1213-Q1216 WeakPolarHBondContact O-CA 3.39Å; A1213-Q1216 WeakPolarHBondContact O-CB 3.41Å; A1213-Q1216 PolarHBondContact O-N 3.21Å; Q1216-S1218 PolarHBondContact O-N 3.49Å; Q1216-T1219 CarbonylContact O-C 3.57Å; Q1216-T1219 WeakPolarHBondContact O-CA 3.37Å; Q1216-T1219 WeakPolarHBondContact O-CB 3.14Å; Q1216-T1219 PolarHBondContact O-N 3.48Å; Q1216-I1220 WeakPolarHBondContact O-CG1 3.46Å; Q1216-I1220 PolarHBondContact O-N 3.27Å
1217L71.8Confident69.7Low85 Ų8560 Ų6045%0.44532%0.318SS..Hα-helixtrans-60.9-44.1177.2-168.967.9000112L1111 A1213 D1214 T1219 I1220 H1221L1111-L1217 HydrophobicContact CD2-CD1 4.02Å; A1213-L1217 PolarHBondContact O-N 3.14Å; D1214-L1217 PolarHBondContact O-N 3.2Å; L1217-T1219 PolarHBondContact O-N 2.94Å; L1217-I1220 PolarHBondContact O-N 3.28Å; L1217-H1221 PolarHBondContact O-N 3.01Å
1218S72.7Confident69.1Low75 Ų7557.9 Ų57.952%0.52432%0.315SS..Hα-helixtrans-60.4-32.6171.1177.40000113.1D1214 Q1216 T1222D1214-S1218 PolarHBondContact O-N 3.01Å; Q1216-S1218 PolarHBondContact O-N 3.49Å; S1218-T1222 PolarHBondContact O-N 2.96Å; S1218-T1222 PolarHBondContact O-OG1 3.5Å
1219T69.4Low68.6Low45 Ų4558.8 Ų58.828%0.27632%0.324SS..Hα-helixtrans-74.3-38.6177.8-55.60000111.1K1215 Q1216 L1217 T1222 A1223K1215-T1219 WeakPolarHBondContact O-CB 3.45Å; K1215-T1219 PolarHBondContact O-N 3.22Å; K1215-T1219 VanDerWaalsContact O-N 3.12Å; K1215-T1219 PolarHBondContact O-OG1 3.28Å; Q1216-T1219 CarbonylContact O-C 3.57Å; Q1216-T1219 WeakPolarHBondContact O-CA 3.37Å; Q1216-T1219 WeakPolarHBondContact O-CB 3.14Å; Q1216-T1219 PolarHBondContact O-N 3.48Å; L1217-T1219 PolarHBondContact O-N 2.94Å; T1219-T1222 PolarHBondContact O-N 3.04Å; T1219-A1223 PolarHBondContact O-N 3.1Å
1220I65.4Low67.9Low13 Ų1358.8 Ų58.87%0.06732%0.324CS..Hα-helixtrans-61.3-50174.5-67.5163.3000110.5C1107 E1108 L1111 Q1216 L1217 T1222 A1223 E1224C1107-I1220 HydrophobicContact CB-CD1 4.19Å; C1107-I1220 HydrophobicContact CB-CG1 3.61Å; E1108-I1220 HydrophobicContact CG-CD1 3.94Å; E1108-I1220 HydrophobicContact CG-CG1 4.33Å; L1111-I1220 HydrophobicContact CB-CD1 4.34Å; L1111-I1220 HydrophobicContact CD2-CD1 4Å; Q1216-I1220 WeakPolarHBondContact O-CG1 3.46Å; Q1216-I1220 PolarHBondContact O-N 3.27Å; L1217-I1220 PolarHBondContact O-N 3.28Å; I1220-T1222 VanDerWaalsContact C-N 3.28Å; I1220-T1222 PolarHBondContact O-N 3.28Å; I1220-A1223 WeakPolarHBondContact O-CA 3.29Å; I1220-A1223 WeakPolarHBondContact O-CB 3.34Å; I1220-A1223 PolarHBondContact O-N 3.03Å; I1220-E1224 PolarHBondContact O-N 2.74Å
1221H71.2Confident67Low119 Ų11960.5 Ų60.555%0.55133%0.33SS*.Hα-helixtrans-56.1-42.1176.9-100.8-56.5000112.8L1217 A1223 E1224 E1225L1217-H1221 PolarHBondContact O-N 3.01Å; H1221-A1223 VanDerWaalsContact C-N 3.33Å; H1221-A1223 PolarHBondContact O-N 2.99Å; H1221-E1224 IonicContact ND1-OE2 3.1Å; H1221-E1224 PolarHBondContact O-N 3.42Å; H1221-E1225 PolarHBondContact O-N 3.33Å
1222T69.7Low66.3Low32 Ų3262.4 Ų62.420%0.19634%0.336CS..Hα-helixtrans-64.8-38.3176.9-48.70000111.6F1055 S1218 T1219 I1220 N1226F1055-T1222 HydrophobicContact CE1-CG2 4.48Å; S1218-T1222 PolarHBondContact O-N 2.96Å; S1218-T1222 PolarHBondContact O-OG1 3.5Å; T1219-T1222 PolarHBondContact O-N 3.04Å; I1220-T1222 VanDerWaalsContact C-N 3.28Å; I1220-T1222 PolarHBondContact O-N 3.28Å; T1222-N1226 VanDerWaalsContact O-CG 3.32Å; T1222-N1226 PolarHBondContact O-N 3.07Å
1223A60.2Low65.5Low5 Ų562 Ų624%0.04133%0.33CS..Hα-helixtrans-67.9-33.5174.800000112.1R1104 T1219 I1220 H1221 L1227R1104-A1223 HydrophobicContact CB-CB 4.31Å; T1219-A1223 PolarHBondContact O-N 3.1Å; I1220-A1223 WeakPolarHBondContact O-CA 3.29Å; I1220-A1223 WeakPolarHBondContact O-CB 3.34Å; I1220-A1223 PolarHBondContact O-N 3.03Å; H1221-A1223 VanDerWaalsContact C-N 3.33Å; H1221-A1223 PolarHBondContact O-N 2.99Å; A1223-L1227 WeakPolarHBondContact O-CB 3.44Å; A1223-L1227 PolarHBondContact O-N 3.07Å
1224E65.2Low64.7Low73 Ų7362.7 Ų62.734%0.34133%0.334SS..Hα-helixtrans-66.7-42.4176.7-71.1-164.712900113.4R1104 I1220 H1221 L1227 A1228R1104-E1224 IonicContact CZ-OE1 3.73Å; R1104-E1224 VanDerWaalsContact CZ-OE1 3.24Å; R1104-E1224 IonicContact NH1-OE1 2.72Å; R1104-E1224 PolarHBondContact NH1-OE1 3.05Å; R1104-E1224 IonicContact NH2-OE1 3.44Å; R1104-E1224 PolarHBondContact NH2-OE1 3.4Å; I1220-E1224 PolarHBondContact O-N 2.74Å; H1221-E1224 IonicContact ND1-OE2 3.1Å; H1221-E1224 PolarHBondContact O-N 3.42Å; E1224-L1227 PolarHBondContact O-N 3.31Å; E1224-A1228 PolarHBondContact O-N 3.01Å
1225E68.8Low63.8Low125 Ų12563.6 Ų63.658%0.58433%0.33SS*.Hα-helixtrans-59.1-48.6173.5-70.2-170.1126.100111.1H1221 L1227 A1228 T1229H1221-E1225 PolarHBondContact O-N 3.33Å; E1225-L1227 VanDerWaalsContact C-N 3.32Å; E1225-L1227 PolarHBondContact O-N 2.75Å; E1225-A1228 WeakPolarHBondContact O-CB 3.31Å; E1225-A1228 PolarHBondContact O-N 3.27Å; E1225-T1229 PolarHBondContact O-N 3.07Å; E1225-T1229 PolarHBondContact O-OG1 3.49Å
1226N61.2Low62.9Low27 Ų2764 Ų6414%0.14433%0.328CS..Hα-helixtrans-58.8-42.4177.6-70.3-3.7000112.4Y1058 T1222 A1228 T1229 L1230Y1058-N1226 PolarHBondContact OH-ND2 2.9Å; Y1058-N1226 VanDerWaalsContact OH-ND2 3.17Å; Y1058-N1226 PolarHBondContact OH-OD1 3.24Å; Y1058-N1226 VanDerWaalsContact OH-OD1 3.06Å; T1222-N1226 VanDerWaalsContact O-CG 3.32Å; T1222-N1226 PolarHBondContact O-N 3.07Å; N1226-A1228 VanDerWaalsContact C-N 3.34Å; N1226-T1229 PolarHBondContact O-N 3.07Å; N1226-L1230 WeakPolarHBondContact O-CB 3.37Å; N1226-L1230 PolarHBondContact O-N 3.43Å
1227L59.1Low61.9Low11 Ų1164.2 Ų64.26%0.05833%0.33CS..Hα-helixtrans-72.5-28.3-178.1-160.9160000111.4L1097 T1101 A1223 E1224 E1225 K1231L1097-L1227 HydrophobicContact CD1-CD2 3.98Å; L1097-L1227 HydrophobicContact CD1-CG 3.82Å; T1101-L1227 WeakPolarHBondContact OG1-CD1 3.38Å; A1223-L1227 WeakPolarHBondContact O-CB 3.44Å; A1223-L1227 PolarHBondContact O-N 3.07Å; E1224-L1227 PolarHBondContact O-N 3.31Å; E1225-L1227 VanDerWaalsContact C-N 3.32Å; E1225-L1227 PolarHBondContact O-N 2.75Å; L1227-K1231 HydrophobicContact CD2-CD 3.91Å; L1227-K1231 HydrophobicContact CD2-CG 4.46Å; L1227-K1231 VanDerWaalsContact CD2-NZ 3.3Å; L1227-K1231 WeakPolarHBondContact O-CB 3.46Å; L1227-K1231 VanDerWaalsContact O-CG 3.3Å; L1227-K1231 WeakPolarHBondContact O-CG 3.16Å; L1227-K1231 PolarHBondContact O-N 3.25Å
1228A62.2Low60.8Low59 Ų5961.4 Ų61.449%0.48832%0.321SS..Hα-helixtrans-68.3-45.6168.300000111.9E1224 E1225 N1226 K1231 D1232E1224-A1228 PolarHBondContact O-N 3.01Å; E1225-A1228 WeakPolarHBondContact O-CB 3.31Å; E1225-A1228 PolarHBondContact O-N 3.27Å; N1226-A1228 VanDerWaalsContact C-N 3.34Å; A1228-K1231 PolarHBondContact O-N 2.87Å; A1228-D1232 PolarHBondContact O-N 3.41Å
1229T63.1Low59.9Low101 Ų10163.5 Ų63.562%0.6232%0.323SS*.Hα-helixtrans-64.2-45.6177.9-52.20000112E1225 N1226 K1231 D1232 E1233E1225-T1229 PolarHBondContact O-N 3.07Å; E1225-T1229 PolarHBondContact O-OG1 3.49Å; N1226-T1229 PolarHBondContact O-N 3.07Å; T1229-K1231 VanDerWaalsContact C-N 3.3Å; T1229-K1231 PolarHBondContact O-N 3.16Å; T1229-D1232 PolarHBondContact O-N 3Å; T1229-E1233 PolarHBondContact O-N 3.4Å
1230L54.1Low59Low32 Ų3266.8 Ų66.817%0.16834%0.335CS..Hα-helixtrans-60.5-36.5176.1-82.2162.3000112.6L1096 L1097 N1226 D1232 C1234L1096-L1230 HydrophobicContact CB-CD1 4.17Å; L1096-L1230 HydrophobicContact CB-CD2 3.94Å; L1097-L1230 HydrophobicContact CD1-CB 3.81Å; N1226-L1230 WeakPolarHBondContact O-CB 3.37Å; N1226-L1230 PolarHBondContact O-N 3.43Å; L1230-D1232 PolarHBondContact O-N 2.9Å; L1230-C1234 VanDerWaalsContact O-CB 3.26Å; L1230-C1234 WeakPolarHBondContact O-CB 3.33Å; L1230-C1234 PolarHBondContact O-N 2.82Å; L1230-C1234 PolarHBondContact O-SG 3.41Å
1231K57.1Low58Low111 Ų11167.8 Ų67.848%0.48335%0.346SS..Hα-helixtrans-63.5-36.8177.7-88.2172.3176.2166.80113.7L1097 L1227 A1228 T1229 R1235L1097-K1231 HydrophobicContact CD1-CG 3.9Å; L1097-K1231 HydrophobicContact CD2-CG 4.28Å; L1227-K1231 HydrophobicContact CD2-CD 3.91Å; L1227-K1231 HydrophobicContact CD2-CG 4.46Å; L1227-K1231 VanDerWaalsContact CD2-NZ 3.3Å; L1227-K1231 WeakPolarHBondContact O-CB 3.46Å; L1227-K1231 VanDerWaalsContact O-CG 3.3Å; L1227-K1231 WeakPolarHBondContact O-CG 3.16Å; L1227-K1231 PolarHBondContact O-N 3.25Å; A1228-K1231 PolarHBondContact O-N 2.87Å; T1229-K1231 VanDerWaalsContact C-N 3.3Å; T1229-K1231 PolarHBondContact O-N 3.16Å; K1231-R1235 PolarHBondContact O-N 3.05Å; K1231-R1235 VanDerWaalsContact O-N 3.07Å
1232D60.7Low56.8Low90 Ų9066.3 Ų66.348%0.48134%0.342SS..Hα-helixtrans-75.9-38.7179.8-10347.5000111.8A1228 T1229 L1230 R1235 R1236A1228-D1232 PolarHBondContact O-N 3.41Å; T1229-D1232 PolarHBondContact O-N 3Å; L1230-D1232 PolarHBondContact O-N 2.9Å; D1232-R1235 WeakPolarHBondContact O-CB 3.23Å; D1232-R1235 PolarHBondContact O-N 3.07Å; D1232-R1235 IonicContact OD1-CZ 3.76Å; D1232-R1235 IonicContact OD1-NH1 2.87Å; D1232-R1235 PolarHBondContact OD1-NH1 3.06Å; D1232-R1235 IonicContact OD1-NH2 3.74Å; D1232-R1235 PolarHBondContact OD1-NH2 2.81Å; D1232-R1235 IonicContact OD2-NH1 3.35Å; D1232-R1235 PolarHBondContact OD2-NH1 3.41Å; D1232-R1236 PolarHBondContact O-N 2.79Å
1233E56.6Low56Low47 Ų4770.1 Ų70.122%0.2236%0.36CS..Hα-helixtrans-69.4-37.7173.8-15264.6-141.400111.7I1085 T1229 R1235 R1236 L1237I1085-E1233 HydrophobicContact CG2-CG 4.1Å; T1229-E1233 PolarHBondContact O-N 3.4Å; E1233-R1235 VanDerWaalsContact C-N 3.29Å; E1233-R1235 PolarHBondContact O-N 3.39Å; E1233-R1236 PolarHBondContact O-N 2.84Å; E1233-R1236 IonicContact OE1-CZ 3.37Å; E1233-R1236 IonicContact OE1-NE 2.91Å; E1233-R1236 PolarHBondContact OE1-NE 2.99Å; E1233-R1236 IonicContact OE1-NH2 2.75Å; E1233-R1236 PolarHBondContact OE1-NH2 3.37Å; E1233-R1236 IonicContact OE2-NE 2.76Å; E1233-L1237 WeakPolarHBondContact O-CB 3.45Å; E1233-L1237 WeakPolarHBondContact O-CG 3.27Å; E1233-L1237 PolarHBondContact O-N 3Å
1234C50.3Low55.4Low27 Ų2774.7 Ų74.718%0.18238%0.383CS..Hα-helixtrans-56.7-39.9168.3-870000112.5A1093 L1230 G1238A1093-C1234 VanDerWaalsContact CB-SG 3.55Å; L1230-C1234 VanDerWaalsContact O-CB 3.26Å; L1230-C1234 WeakPolarHBondContact O-CB 3.33Å; L1230-C1234 PolarHBondContact O-N 2.82Å; L1230-C1234 PolarHBondContact O-SG 3.41Å; C1234-G1238 PolarHBondContact O-N 3.4Å
1235R55.7Low54.5Low127 Ų12778.3 Ų78.348%0.47939%0.394SS..Hα-helixtrans-64.5-46.1175.7-168-172.3-53.311617.9110.8K1231 D1232 E1233 L1237 G1238 E1239K1231-R1235 PolarHBondContact O-N 3.05Å; K1231-R1235 VanDerWaalsContact O-N 3.07Å; D1232-R1235 WeakPolarHBondContact O-CB 3.23Å; D1232-R1235 PolarHBondContact O-N 3.07Å; D1232-R1235 IonicContact OD1-CZ 3.76Å; D1232-R1235 IonicContact OD1-NH1 2.87Å; D1232-R1235 PolarHBondContact OD1-NH1 3.06Å; D1232-R1235 IonicContact OD1-NH2 3.74Å; D1232-R1235 PolarHBondContact OD1-NH2 2.81Å; D1232-R1235 IonicContact OD2-NH1 3.35Å; D1232-R1235 PolarHBondContact OD2-NH1 3.41Å; E1233-R1235 VanDerWaalsContact C-N 3.29Å; E1233-R1235 PolarHBondContact O-N 3.39Å; R1235-L1237 PolarHBondContact O-N 2.99Å; R1235-G1238 WeakPolarHBondContact O-CA 3.33Å; R1235-G1238 PolarHBondContact O-N 2.78Å; R1235-G1238 VanDerWaalsContact O-N 3.14Å; R1235-E1239 WeakPolarHBondContact O-CG 3.5Å; R1235-E1239 PolarHBondContact O-N 2.58Å
1236R56Low53.6Low117 Ų11774.2 Ų74.244%0.44239%0.386SS..Hα-helixtrans-61-42.2179-127.6173.559.969.18.7112.6D1232 E1233 Q1240D1232-R1236 PolarHBondContact O-N 2.79Å; E1233-R1236 PolarHBondContact O-N 2.84Å; E1233-R1236 IonicContact OE1-CZ 3.37Å; E1233-R1236 IonicContact OE1-NE 2.91Å; E1233-R1236 PolarHBondContact OE1-NE 2.99Å; E1233-R1236 IonicContact OE1-NH2 2.75Å; E1233-R1236 PolarHBondContact OE1-NH2 3.37Å; E1233-R1236 IonicContact OE2-NE 2.76Å; R1236-Q1240 PolarHBondContact O-N 3.42Å
1237L49.5Very low53.2Low28 Ų2878.4 Ų78.415%0.14740%0.404CS..Hα-helixtrans-68.8-35.9173.7-71.1168.7000112.1L1088 A1093 E1233 R1235 Q1240 A1241L1088-L1237 WeakPolarHBondContact O-CD1 3.36Å; A1093-L1237 HydrophobicContact CB-CD1 3.89Å; E1233-L1237 WeakPolarHBondContact O-CB 3.45Å; E1233-L1237 WeakPolarHBondContact O-CG 3.27Å; E1233-L1237 PolarHBondContact O-N 3Å; R1235-L1237 PolarHBondContact O-N 2.99Å; L1237-Q1240 PolarHBondContact O-N 3.34Å; L1237-A1241 VanDerWaalsContact O-CB 3.31Å; L1237-A1241 WeakPolarHBondContact O-CB 3.32Å; L1237-A1241 PolarHBondContact O-N 3Å
1238G48.4Very low52.7Low25 Ų2581.8 Ų81.826%0.25842%0.423SS..Hα-helixtrans-61.8-47.2172.400000112.5C1234 R1235 Q1240 A1241 D1242C1234-G1238 PolarHBondContact O-N 3.4Å; R1235-G1238 WeakPolarHBondContact O-CA 3.33Å; R1235-G1238 PolarHBondContact O-N 2.78Å; R1235-G1238 VanDerWaalsContact O-N 3.14Å; G1238-Q1240 VanDerWaalsContact C-N 3.34Å; G1238-Q1240 PolarHBondContact O-N 2.69Å; G1238-A1241 PolarHBondContact O-N 2.93Å; G1238-A1241 VanDerWaalsContact O-N 3.12Å; G1238-D1242 PolarHBondContact O-N 2.85Å
1239E53.7Low52.2Low120 Ų12082 Ų8256%0.56142%0.415SS*.Hα-helixtrans-59.2-41.2176.1-72.9169.6-168.700112R1235 L1243R1235-E1239 WeakPolarHBondContact O-CG 3.5Å; R1235-E1239 PolarHBondContact O-N 2.58Å; E1239-L1243 WeakPolarHBondContact O-CB 3.33Å; E1239-L1243 PolarHBondContact O-N 3.36Å; E1239-L1243 VanDerWaalsContact O-N 3.13Å
1240Q49.9Very low51.9Low113 Ų11382.4 Ų82.453%0.52841%0.41SS..Hα-helixtrans-67.7-40.7172.3-74.4-168-78.700113.1R1236 L1237 G1238 L1243 L1244R1236-Q1240 PolarHBondContact O-N 3.42Å; L1237-Q1240 PolarHBondContact O-N 3.34Å; G1238-Q1240 VanDerWaalsContact C-N 3.34Å; G1238-Q1240 PolarHBondContact O-N 2.69Å; Q1240-L1243 PolarHBondContact O-N 2.87Å; Q1240-L1244 WeakPolarHBondContact O-CG 3.21Å; Q1240-L1244 PolarHBondContact O-N 2.98Å
1241A45.6Very low51.9Low35 Ų3581.8 Ų81.829%0.28941%0.407SS..Hα-helixtrans-65.5-37.8179.400000112.2L1237 G1238 R1245L1237-A1241 VanDerWaalsContact O-CB 3.31Å; L1237-A1241 WeakPolarHBondContact O-CB 3.32Å; L1237-A1241 PolarHBondContact O-N 3Å; G1238-A1241 PolarHBondContact O-N 2.93Å; G1238-A1241 VanDerWaalsContact O-N 3.12Å; A1241-R1245 WeakPolarHBondContact O-CB 3.38Å; A1241-R1245 PolarHBondContact O-N 3.31Å
1242D46.6Very low51.7Low88 Ų8884 Ų8447%0.47141%0.412SS..Hα-helixtrans-76.2-29.8177.9-73.9-21.6000112.9G1238 R1245 G1246G1238-D1242 PolarHBondContact O-N 2.85Å; D1242-R1245 WeakPolarHBondContact O-CB 3.49Å; D1242-R1245 PolarHBondContact O-N 3.27Å; D1242-R1245 IonicContact OD1-CZ 3.16Å; D1242-R1245 IonicContact OD1-NE 3.63Å; D1242-R1245 PolarHBondContact OD1-NE 2.89Å; D1242-R1245 IonicContact OD1-NH2 2.77Å; D1242-R1245 PolarHBondContact OD1-NH2 2.96Å; D1242-G1246 PolarHBondContact O-N 3.28Å
1243L51.5Low51.7Low112 Ų11285 Ų8559%0.58641%0.412SS*.Hα-helixtrans-64.9-46.6170.4-158.5154.1000110.7E1239 Q1240 R1245 G1246 E1247E1239-L1243 WeakPolarHBondContact O-CB 3.33Å; E1239-L1243 PolarHBondContact O-N 3.36Å; E1239-L1243 VanDerWaalsContact O-N 3.13Å; Q1240-L1243 PolarHBondContact O-N 2.87Å; L1243-R1245 VanDerWaalsContact C-N 3.3Å; L1243-R1245 PolarHBondContact O-N 2.92Å; L1243-G1246 PolarHBondContact O-N 3.27Å; L1243-E1247 PolarHBondContact O-N 3Å; L1243-E1247 VanDerWaalsContact O-N 3.12Å
1244L47.8Very low51.9Low100 Ų10083.6 Ų83.652%0.52441%0.406SS..Hα-helixtrans-62.6-33.2171.1-74167000112.8Q1240 N1248Q1240-L1244 WeakPolarHBondContact O-CG 3.21Å; Q1240-L1244 PolarHBondContact O-N 2.98Å; L1244-N1248 WeakPolarHBondContact O-CB 3.4Å; L1244-N1248 PolarHBondContact O-N 3.21Å; L1244-N1248 VanDerWaalsContact O-N 3.07Å
1245R46.1Very low52.2Low149 Ų14986.4 Ų86.456%0.56242%0.419SS*.Hα-helixtrans-66.2-42.6175.1-156.6-168.4-51.2-123.17.5110.8A1241 D1242 L1243 N1248 D1249A1241-R1245 WeakPolarHBondContact O-CB 3.38Å; A1241-R1245 PolarHBondContact O-N 3.31Å; D1242-R1245 WeakPolarHBondContact O-CB 3.49Å; D1242-R1245 PolarHBondContact O-N 3.27Å; D1242-R1245 IonicContact OD1-CZ 3.16Å; D1242-R1245 IonicContact OD1-NE 3.63Å; D1242-R1245 PolarHBondContact OD1-NE 2.89Å; D1242-R1245 IonicContact OD1-NH2 2.77Å; D1242-R1245 PolarHBondContact OD1-NH2 2.96Å; L1243-R1245 VanDerWaalsContact C-N 3.3Å; L1243-R1245 PolarHBondContact O-N 2.92Å; R1245-N1248 PolarHBondContact O-N 2.82Å; R1245-D1249 PolarHBondContact O-N 3.03Å
1246G50.7Low52.4Low40 Ų4085 Ų8541%0.41242%0.42SS..Hα-helixtrans-58.8-48.1174.500000112.8D1242 L1243 N1248 D1249 E1250D1242-G1246 PolarHBondContact O-N 3.28Å; L1243-G1246 PolarHBondContact O-N 3.27Å; G1246-N1248 VanDerWaalsContact C-N 3.31Å; G1246-N1248 PolarHBondContact O-N 3.37Å; G1246-D1249 PolarHBondContact O-N 3.5Å; G1246-E1250 WeakPolarHBondContact O-CB 3.39Å; G1246-E1250 PolarHBondContact O-N 2.67Å
1247E53Low52.7Low114 Ų11486.4 Ų86.453%0.53343%0.426SS..Hα-helixtrans-59.4-41174.6-69.2178.3163.400112.2L1243 E1250 L1251L1243-E1247 PolarHBondContact O-N 3Å; L1243-E1247 VanDerWaalsContact O-N 3.12Å; E1247-E1250 PolarHBondContact O-N 2.67Å; E1247-L1251 WeakPolarHBondContact O-CB 3.37Å; E1247-L1251 PolarHBondContact O-N 3.13Å
1248N48.1Very low53.3Low83 Ų8386.2 Ų86.244%0.44442%0.424SS..Hα-helixtrans-69.6-36.1-179.6-160.72.2000112.6L1244 R1245 G1246 L1251 R1252L1244-N1248 WeakPolarHBondContact O-CB 3.4Å; L1244-N1248 PolarHBondContact O-N 3.21Å; L1244-N1248 VanDerWaalsContact O-N 3.07Å; R1245-N1248 PolarHBondContact O-N 2.82Å; G1246-N1248 VanDerWaalsContact C-N 3.31Å; G1246-N1248 PolarHBondContact O-N 3.37Å; N1248-L1251 PolarHBondContact O-N 3.47Å; N1248-R1252 WeakPolarHBondContact O-CG 3.33Å; N1248-R1252 PolarHBondContact O-N 3.01Å
1249D51.3Low53.7Low62 Ų6290.3 Ų90.333%0.33244%0.437SS..Hα-helixtrans-74.5-29172.7-76.3-27.7000112.5R1245 G1246 R1252 K1253R1245-D1249 PolarHBondContact O-N 3.03Å; G1246-D1249 PolarHBondContact O-N 3.5Å; D1249-R1252 PolarHBondContact O-N 3.17Å; D1249-R1252 WeakPolarHBondContact OD1-CD 3.47Å; D1249-R1252 IonicContact OD1-CZ 3.2Å; D1249-R1252 IonicContact OD1-NE 2.88Å; D1249-R1252 IonicContact OD1-NH1 3.34Å; D1249-R1252 PolarHBondContact OD1-NH1 3.35Å; D1249-K1253 VanDerWaalsContact O-CG 3.27Å; D1249-K1253 WeakPolarHBondContact O-CG 3.44Å; D1249-K1253 PolarHBondContact O-N 3.48Å
1250E56.4Low54.1Low111 Ų11188.9 Ų88.952%0.51943%0.432SS..Hα-helixtrans-66.3-42.3169.6-152.870.7176.900111.4G1246 E1247 K1253 E1254G1246-E1250 WeakPolarHBondContact O-CB 3.39Å; G1246-E1250 PolarHBondContact O-N 2.67Å; E1247-E1250 PolarHBondContact O-N 2.67Å; E1250-K1253 PolarHBondContact O-N 3.06Å; E1250-K1253 IonicContact OE2-NZ 2.89Å; E1250-K1253 PolarHBondContact OE2-NZ 3.1Å; E1250-E1254 PolarHBondContact O-N 3.35Å
1251L55Low54.8Low19 Ų1986.1 Ų86.110%0.09942%0.419CS..Hα-helixtrans-62-43.2173.7-156.1170.2000110.9E1247 N1248 K1253 E1254 L1255 L1352E1247-L1251 WeakPolarHBondContact O-CB 3.37Å; E1247-L1251 PolarHBondContact O-N 3.13Å; N1248-L1251 PolarHBondContact O-N 3.47Å; L1251-K1253 PolarHBondContact O-N 3.29Å; L1251-E1254 PolarHBondContact O-N 3.36Å; L1251-L1255 WeakPolarHBondContact O-CB 3.44Å; L1251-L1255 PolarHBondContact O-N 3.02Å; L1251-L1352 HydrophobicContact CD1-CB 3.85Å; L1251-L1352 HydrophobicContact CG-CB 3.91Å; L1251-L1352 HydrophobicContact CG-CD1 4.24Å
1252R52.8Low55.6Low156 Ų15688.4 Ų88.459%0.58942%0.423SS*.Hα-helixtrans-60.2-41.2172.6-78.9164.9156.8-178.1-5.6113N1248 D1249 L1255 L1256N1248-R1252 WeakPolarHBondContact O-CG 3.33Å; N1248-R1252 PolarHBondContact O-N 3.01Å; D1249-R1252 PolarHBondContact O-N 3.17Å; D1249-R1252 WeakPolarHBondContact OD1-CD 3.47Å; D1249-R1252 IonicContact OD1-CZ 3.2Å; D1249-R1252 IonicContact OD1-NE 2.88Å; D1249-R1252 IonicContact OD1-NH1 3.34Å; D1249-R1252 PolarHBondContact OD1-NH1 3.35Å; R1252-L1255 PolarHBondContact O-N 3.46Å; R1252-L1256 VanDerWaalsContact O-CB 3.32Å; R1252-L1256 WeakPolarHBondContact O-CB 3.22Å; R1252-L1256 PolarHBondContact O-N 2.9Å
1253K60.3Low56.4Low111 Ų11188.6 Ų88.648%0.48343%0.428SS..Hα-helixtrans-62-42.4177.8-71.6164.7-155.91620112D1249 E1250 L1251 R1257D1249-K1253 VanDerWaalsContact O-CG 3.27Å; D1249-K1253 WeakPolarHBondContact O-CG 3.44Å; D1249-K1253 PolarHBondContact O-N 3.48Å; E1250-K1253 PolarHBondContact O-N 3.06Å; E1250-K1253 IonicContact OE2-NZ 2.89Å; E1250-K1253 PolarHBondContact OE2-NZ 3.1Å; L1251-K1253 PolarHBondContact O-N 3.29Å; K1253-R1257 WeakPolarHBondContact O-CG 3.2Å; K1253-R1257 PolarHBondContact O-N 3.2Å
1254E60.3Low57.1Low19 Ų1987 Ų879%0.08942%0.417CS..Hα-helixtrans-72-34.4176.7-64.7-74.1-137.800112.3E1250 L1251 R1257 L1258 K1348E1250-E1254 PolarHBondContact O-N 3.35Å; L1251-E1254 PolarHBondContact O-N 3.36Å; E1254-R1257 PolarHBondContact O-N 3.43Å; E1254-R1257 IonicContact OE1-NH1 3.5Å; E1254-R1257 WeakPolarHBondContact OE2-CD 3.29Å; E1254-R1257 IonicContact OE2-CZ 2.7Å; E1254-R1257 IonicContact OE2-NE 3.49Å; E1254-R1257 IonicContact OE2-NH1 2.81Å; E1254-R1257 PolarHBondContact OE2-NH1 2.98Å; E1254-L1258 PolarHBondContact O-N 2.94Å; E1254-K1348 WeakPolarHBondContact OE1-CD 3.42Å; E1254-K1348 WeakPolarHBondContact OE1-CE 3.3Å; E1254-K1348 IonicContact OE1-NZ 3.56Å; E1254-K1348 PolarHBondContact OE1-NZ 2.87Å
1255L58.3Low58Low85 Ų8584.9 Ų84.945%0.44541%0.405SS..Hα-helixtrans-65.7-41173.3-149.793000111.9L1251 R1252 L1258 Q1259L1251-L1255 WeakPolarHBondContact O-CB 3.44Å; L1251-L1255 PolarHBondContact O-N 3.02Å; R1252-L1255 PolarHBondContact O-N 3.46Å; L1255-L1258 WeakPolarHBondContact O-CB 3.45Å; L1255-L1258 PolarHBondContact O-N 3.37Å; L1255-Q1259 PolarHBondContact O-N 2.9Å; L1255-Q1259 VanDerWaalsContact O-N 3.11Å
1256L59Low58.8Low98 Ų9880.2 Ų80.251%0.51340%0.395SS..Hα-helixtrans-66-38.9175.5-168.573.9000111.1R1252 L1258 Q1259 I1260R1252-L1256 VanDerWaalsContact O-CB 3.32Å; R1252-L1256 WeakPolarHBondContact O-CB 3.22Å; R1252-L1256 PolarHBondContact O-N 2.9Å; L1256-L1258 PolarHBondContact O-N 3.43Å; L1256-Q1259 PolarHBondContact O-N 3.28Å; L1256-I1260 HydrophobicContact CD2-CD1 4.44Å; L1256-I1260 HydrophobicContact CG-CD1 4.08Å; L1256-I1260 VanDerWaalsContact O-CG1 3.29Å; L1256-I1260 WeakPolarHBondContact O-CG1 3.33Å; L1256-I1260 PolarHBondContact O-N 2.99Å
1257R62.6Low59.6Low147 Ų14785 Ų8556%0.55540%0.401SS*.Hα-helixtrans-59.8-42.7171.8-79.6165.4169.8176.52.8112K1253 E1254 Q1259 I1260 F1261 L1345K1253-R1257 WeakPolarHBondContact O-CG 3.2Å; K1253-R1257 PolarHBondContact O-N 3.2Å; E1254-R1257 PolarHBondContact O-N 3.43Å; E1254-R1257 IonicContact OE1-NH1 3.5Å; E1254-R1257 WeakPolarHBondContact OE2-CD 3.29Å; E1254-R1257 IonicContact OE2-CZ 2.7Å; E1254-R1257 IonicContact OE2-NE 3.49Å; E1254-R1257 IonicContact OE2-NH1 2.81Å; E1254-R1257 PolarHBondContact OE2-NH1 2.98Å; R1257-Q1259 PolarHBondContact O-N 3.38Å; R1257-I1260 PolarHBondContact O-N 3.47Å; R1257-F1261 VanDerWaalsContact O-CB 3.31Å; R1257-F1261 WeakPolarHBondContact O-CB 3.21Å; R1257-F1261 PolarHBondContact O-N 3.21Å; R1257-L1345 HydrophobicContact CB-CD2 3.97Å
1258L61.9Low60.4Low23 Ų2383.2 Ų83.212%0.1239%0.393CS..Hα-helixtrans-58.8-44.8173.4-85168.8000112.2E1254 L1255 L1256 F1261 E1262 Y1342 L1345 C1349E1254-L1258 PolarHBondContact O-N 2.94Å; L1255-L1258 WeakPolarHBondContact O-CB 3.45Å; L1255-L1258 PolarHBondContact O-N 3.37Å; L1256-L1258 PolarHBondContact O-N 3.43Å; L1258-F1261 WeakPolarHBondContact O-CB 3.19Å; L1258-F1261 PolarHBondContact O-N 3.44Å; L1258-E1262 PolarHBondContact O-N 3.08Å; L1258-Y1342 HydrophobicContact CD2-CD2 3.91Å; L1258-Y1342 HydrophobicContact CD2-CE2 3.96Å; L1258-L1345 HydrophobicContact CD1-CB 4.34Å; L1258-L1345 HydrophobicContact CD2-CB 3.61Å; L1258-L1345 HydrophobicContact CD2-CD2 4.31Å; L1258-L1345 HydrophobicContact CG-CB 3.88Å; L1258-L1345 HydrophobicContact CG-CD2 4.02Å; L1258-C1349 HydrophobicContact CD1-CB 4.4Å; L1258-C1349 VanDerWaalsContact CD1-SG 3.54Å
1259Q57.8Low61.4Low112 Ų11281.9 Ų81.952%0.52339%0.385SS..Hα-helixtrans-65.9-40.6177.7-71.3-174.5-40.700113.2L1255 L1256 R1257 F1261 T1263L1255-Q1259 PolarHBondContact O-N 2.9Å; L1255-Q1259 VanDerWaalsContact O-N 3.11Å; L1256-Q1259 PolarHBondContact O-N 3.28Å; R1257-Q1259 PolarHBondContact O-N 3.38Å; Q1259-F1261 VanDerWaalsContact C-N 3.31Å; Q1259-T1263 WeakPolarHBondContact O-CB 3.2Å; Q1259-T1263 PolarHBondContact O-N 2.68Å; Q1259-T1263 PolarHBondContact O-OG1 3.06Å
1260I62.1Low62.1Low90 Ų9087 Ų8746%0.46240%0.4SS..Hα-helixtrans-61.2-44.1173.7-69.6164.7000109.6L1256 R1257 T1263 E1264L1256-I1260 HydrophobicContact CD2-CD1 4.44Å; L1256-I1260 HydrophobicContact CG-CD1 4.08Å; L1256-I1260 VanDerWaalsContact O-CG1 3.29Å; L1256-I1260 WeakPolarHBondContact O-CG1 3.33Å; L1256-I1260 PolarHBondContact O-N 2.99Å; R1257-I1260 PolarHBondContact O-N 3.47Å; I1260-T1263 WeakPolarHBondContact O-CB 3.42Å; I1260-T1263 PolarHBondContact O-N 3.01Å; I1260-E1264 PolarHBondContact O-N 2.82Å
1261F64.6Low62.8Low55 Ų5586.3 Ų86.324%0.24140%0.399CS..Hα-helixtrans-59-55.5176.8-150.2-121.4000111.1R1257 L1258 Q1259 T1263 E1264 M1265 W1338 S1341R1257-F1261 VanDerWaalsContact O-CB 3.31Å; R1257-F1261 WeakPolarHBondContact O-CB 3.21Å; R1257-F1261 PolarHBondContact O-N 3.21Å; L1258-F1261 WeakPolarHBondContact O-CB 3.19Å; L1258-F1261 PolarHBondContact O-N 3.44Å; Q1259-F1261 VanDerWaalsContact C-N 3.31Å; F1261-T1263 PolarHBondContact O-N 3.43Å; F1261-T1263 VanDerWaalsContact O-N 3.16Å; F1261-E1264 PolarHBondContact O-N 3.12Å; F1261-E1264 VanDerWaalsContact O-N 3.13Å; F1261-M1265 PolarHBondContact O-N 2.77Å; F1261-W1338 HydrophobicContact CB-CZ3 4.03Å; F1261-W1338 AromaticContact CD1-CE3 3.57Å; F1261-W1338 HydrophobicContact CD1-CE3 3.57Å; F1261-W1338 HydrophobicContact CD1-CH2 4.13Å; F1261-W1338 AromaticContact CD1-CZ3 3.17Å; F1261-W1338 HydrophobicContact CD1-CZ3 3.17Å; F1261-W1338 HydrophobicContact CD2-CE3 4.44Å; F1261-W1338 AromaticContact CD2-CH2 3.6Å; F1261-W1338 HydrophobicContact CD2-CH2 3.6Å; F1261-W1338 AromaticContact CD2-CZ3 3.52Å; F1261-W1338 HydrophobicContact CD2-CZ3 3.52Å; F1261-W1338 HydrophobicContact CE1-CD2 4.12Å; F1261-W1338 AromaticContact CE1-CE3 3.26Å; F1261-W1338 HydrophobicContact CE1-CE3 3.26Å; F1261-W1338 HydrophobicContact CE1-CH2 4.17Å; F1261-W1338 AromaticContact CE1-CZ3 3.28Å; F1261-W1338 HydrophobicContact CE1-CZ3 3.28Å; F1261-W1338 HydrophobicContact CE2-CE3 4.2Å; F1261-W1338 AromaticContact CE2-CH2 3.66Å; F1261-W1338 HydrophobicContact CE2-CH2 3.66Å; F1261-W1338 HydrophobicContact CE2-CZ2 4.28Å; F1261-W1338 AromaticContact CE2-CZ3 3.63Å; F1261-W1338 HydrophobicContact CE2-CZ3 3.63Å; F1261-W1338 HydrophobicContact CG-CE3 4.13Å; F1261-W1338 AromaticContact CG-CH2 3.82Å; F1261-W1338 HydrophobicContact CG-CH2 3.82Å; F1261-W1338 AromaticContact CG-CZ3 3.27Å; F1261-W1338 HydrophobicContact CG-CZ3 3.27Å; F1261-W1338 HydrophobicContact CZ-CD2 4.1Å; F1261-W1338 AromaticContact CZ-CE3 3.6Å; F1261-W1338 HydrophobicContact CZ-CE3 3.6Å; F1261-W1338 AromaticContact CZ-CH2 3.93Å; F1261-W1338 HydrophobicContact CZ-CH2 3.93Å; F1261-W1338 HydrophobicContact CZ-CZ2 4.44Å; F1261-W1338 AromaticContact CZ-CZ3 3.5Å; F1261-W1338 HydrophobicContact CZ-CZ3 3.5Å; F1261-W1338 VanDerWaalsContact CZ-CZ3 3.5Å; F1261-W1338 WeakPolarHBondContact O-CH2 3.32Å; F1261-W1338 WeakPolarHBondContact O-CZ3 3.47Å; F1261-S1341 VanDerWaalsContact CZ-CB 3.45Å
1262E61.7Low63.6Low83 Ų8385.9 Ų85.939%0.38840%0.398SS..Hα-helixtrans-56.7-33176.9-74.1-176.4165.900113.1L1258 S1266 Y1342L1258-E1262 PolarHBondContact O-N 3.08Å; E1262-S1266 VanDerWaalsContact O-CB 3.32Å; E1262-S1266 WeakPolarHBondContact O-CB 3.23Å; E1262-S1266 PolarHBondContact O-N 2.97Å; E1262-S1266 VanDerWaalsContact O-N 3.08Å; E1262-S1266 PolarHBondContact O-OG 3.34Å; E1262-Y1342 HydrophobicContact CG-CE2 3.95Å; E1262-Y1342 VanDerWaalsContact OE1-CE2 3.22Å; E1262-Y1342 WeakPolarHBondContact OE1-CE2 3.25Å; E1262-Y1342 PolarHBondContact OE1-OH 2.72Å
1263T63.6Low64.4Low92 Ų9281.1 Ų81.156%0.56438%0.383SS*.Hα-helixtrans-70.5-44.4176.9-57.10000112.2Q1259 I1260 F1261 S1266 R1267Q1259-T1263 WeakPolarHBondContact O-CB 3.2Å; Q1259-T1263 PolarHBondContact O-N 2.68Å; Q1259-T1263 PolarHBondContact O-OG1 3.06Å; I1260-T1263 WeakPolarHBondContact O-CB 3.42Å; I1260-T1263 PolarHBondContact O-N 3.01Å; F1261-T1263 PolarHBondContact O-N 3.43Å; F1261-T1263 VanDerWaalsContact O-N 3.16Å; T1263-S1266 PolarHBondContact O-N 2.89Å; T1263-R1267 PolarHBondContact O-N 2.98Å; T1263-R1267 VanDerWaalsContact O-N 3.07Å
1264E66.3Low64.7Low77 Ų7778.4 Ų78.436%0.3638%0.382SS..Hα-helixtrans-65.7-41.8176.1-138.980.6-116.100111I1260 F1261 S1266 R1267 E1268 W1338I1260-E1264 PolarHBondContact O-N 2.82Å; F1261-E1264 PolarHBondContact O-N 3.12Å; F1261-E1264 VanDerWaalsContact O-N 3.13Å; E1264-S1266 VanDerWaalsContact C-N 3.29Å; E1264-S1266 PolarHBondContact O-N 2.79Å; E1264-R1267 WeakPolarHBondContact O-CA 3.36Å; E1264-R1267 VanDerWaalsContact O-CB 3.31Å; E1264-R1267 WeakPolarHBondContact O-CB 3.32Å; E1264-R1267 PolarHBondContact O-N 3.09Å; E1264-R1267 IonicContact OE1-CZ 2.67Å; E1264-R1267 IonicContact OE1-NE 2.67Å; E1264-R1267 IonicContact OE1-NH1 2.79Å; E1264-R1267 PolarHBondContact OE1-NH1 2.84Å; E1264-R1267 IonicContact OE1-NH2 3.19Å; E1264-E1268 PolarHBondContact O-N 2.94Å; E1264-W1338 HydrophobicContact CB-CH2 3.98Å; E1264-W1338 HydrophobicContact CB-CZ2 4.43Å
1265M66.1Low65.3Low56 Ų5683.5 Ų83.528%0.27640%0.404SS..Hα-helixtrans-55.6-46.6173.6-163.7176.461.400111.3F1261 R1267 E1268 L1269 W1338F1261-M1265 PolarHBondContact O-N 2.77Å; M1265-R1267 PolarHBondContact O-N 2.84Å; M1265-E1268 PolarHBondContact O-N 2.8Å; M1265-L1269 HydrophobicContact CG-CD1 4.17Å; M1265-L1269 WeakPolarHBondContact O-CB 3.19Å; M1265-L1269 PolarHBondContact O-N 3.16Å; M1265-W1338 HydrophobicContact CB-CD2 3.99Å; M1265-W1338 HydrophobicContact CB-CE3 3.57Å; M1265-W1338 HydrophobicContact CB-CH2 3.79Å; M1265-W1338 HydrophobicContact CB-CZ2 4.15Å; M1265-W1338 HydrophobicContact CB-CZ3 3.47Å; M1265-W1338 VanDerWaalsContact CB-CZ3 3.47Å; M1265-W1338 HydrophobicContact CG-CD2 3.73Å; M1265-W1338 HydrophobicContact CG-CE3 3.64Å; M1265-W1338 HydrophobicContact CG-CG 4.22Å; M1265-W1338 HydrophobicContact CG-CZ3 4.1Å; M1265-W1338 HydrophobicContact SD-CB 4.21Å; M1265-W1338 HydrophobicContact SD-CD2 4.05Å; M1265-W1338 HydrophobicContact SD-CE3 3.71Å; M1265-W1338 HydrophobicContact SD-CG 4.28Å; M1265-W1338 HydrophobicContact SD-CZ3 4.48Å
1266S62.4Low66Low51 Ų5181.9 Ų81.936%0.35739%0.392SS..Hα-helixtrans-66.7-19.3177.5-60.40000112.3E1262 T1263 E1264 R1270E1262-S1266 VanDerWaalsContact O-CB 3.32Å; E1262-S1266 WeakPolarHBondContact O-CB 3.23Å; E1262-S1266 PolarHBondContact O-N 2.97Å; E1262-S1266 VanDerWaalsContact O-N 3.08Å; E1262-S1266 PolarHBondContact O-OG 3.34Å; T1263-S1266 PolarHBondContact O-N 2.89Å; E1264-S1266 VanDerWaalsContact C-N 3.29Å; E1264-S1266 PolarHBondContact O-N 2.79Å; S1266-R1270 WeakPolarHBondContact O-CG 3.49Å; S1266-R1270 PolarHBondContact O-NE 3.1Å; S1266-R1270 PolarHBondContact O-NH2 3.14Å
1267R68.6Low66.4Low142 Ų14285 Ų8554%0.53640%0.397SS..Hα-helixtrans-84.7-47.1175-154.4-178.289.1-171.311.8111.5T1263 E1264 M1265 R1270 L1271T1263-R1267 PolarHBondContact O-N 2.98Å; T1263-R1267 VanDerWaalsContact O-N 3.07Å; E1264-R1267 WeakPolarHBondContact O-CA 3.36Å; E1264-R1267 VanDerWaalsContact O-CB 3.31Å; E1264-R1267 WeakPolarHBondContact O-CB 3.32Å; E1264-R1267 PolarHBondContact O-N 3.09Å; E1264-R1267 IonicContact OE1-CZ 2.67Å; E1264-R1267 IonicContact OE1-NE 2.67Å; E1264-R1267 IonicContact OE1-NH1 2.79Å; E1264-R1267 PolarHBondContact OE1-NH1 2.84Å; E1264-R1267 IonicContact OE1-NH2 3.19Å; M1265-R1267 PolarHBondContact O-N 2.84Å; R1267-R1270 PolarHBondContact O-N 3.26Å; R1267-L1271 WeakPolarHBondContact O-CG 3.45Å; R1267-L1271 PolarHBondContact O-N 3.19Å
1268E69.7Low66.9Low76 Ų7683 Ų8336%0.35540%0.397SS..Hα-helixtrans-56.2-51.5174.3-79.5-68.2109.100111.6E1264 M1265 R1270 L1271 V1272E1264-E1268 PolarHBondContact O-N 2.94Å; M1265-E1268 PolarHBondContact O-N 2.8Å; E1268-R1270 VanDerWaalsContact C-N 3.29Å; E1268-R1270 PolarHBondContact O-N 2.73Å; E1268-L1271 WeakPolarHBondContact O-CB 3.39Å; E1268-L1271 PolarHBondContact O-N 3.23Å; E1268-V1272 WeakPolarHBondContact O-CG2 3.5Å; E1268-V1272 PolarHBondContact O-N 3.22Å
1269L69.3Low67.5Low54 Ų5485.4 Ų85.428%0.28341%0.408SS..Hα-helixtrans-58.6-38.9178.2-81.2164.1000112.8M1265 V1272 D1273 I1331M1265-L1269 HydrophobicContact CG-CD1 4.17Å; M1265-L1269 WeakPolarHBondContact O-CB 3.19Å; M1265-L1269 PolarHBondContact O-N 3.16Å; L1269-V1272 PolarHBondContact O-N 3.18Å; L1269-D1273 WeakPolarHBondContact O-CB 3.38Å; L1269-D1273 PolarHBondContact O-N 2.92Å; L1269-I1331 HydrophobicContact CD2-CG1 4.38Å; L1269-I1331 HydrophobicContact CD2-CG2 3.98Å
1270R66.3Low68.2Low170 Ų17083.4 Ų83.464%0.64240%0.398SS*.Hα-helixtrans-69.2-33175.8-81.8-178.2-73.5-162.6-4.1112.6S1266 R1267 E1268 A1274S1266-R1270 WeakPolarHBondContact O-CG 3.49Å; S1266-R1270 PolarHBondContact O-NE 3.1Å; S1266-R1270 PolarHBondContact O-NH2 3.14Å; R1267-R1270 PolarHBondContact O-N 3.26Å; E1268-R1270 VanDerWaalsContact C-N 3.29Å; E1268-R1270 PolarHBondContact O-N 2.73Å; R1270-A1274 WeakPolarHBondContact O-CB 3.49Å; R1270-A1274 PolarHBondContact O-N 2.66Å
1271L70.5Confident68.6Low97 Ų9780.7 Ų80.751%0.50839%0.387SS..Hα-helixtrans-69.2-43.3174.3-74165.9000111.7R1267 E1268 K1275R1267-L1271 WeakPolarHBondContact O-CG 3.45Å; R1267-L1271 PolarHBondContact O-N 3.19Å; E1268-L1271 WeakPolarHBondContact O-CB 3.39Å; E1268-L1271 PolarHBondContact O-N 3.23Å; L1271-K1275 WeakPolarHBondContact O-CB 3.44Å; L1271-K1275 PolarHBondContact O-N 3.03Å
1272V70.8Confident69.2Low10 Ų1080.9 Ų80.96%0.06139%0.392CS..Hα-helixtrans-63.4-47.5177.1176.40000111.3E1268 L1269 K1275 Y1276 K1327 I1331 L1334E1268-V1272 WeakPolarHBondContact O-CG2 3.5Å; E1268-V1272 PolarHBondContact O-N 3.22Å; L1269-V1272 PolarHBondContact O-N 3.18Å; V1272-K1275 WeakPolarHBondContact O-CB 3.41Å; V1272-K1275 PolarHBondContact O-N 3.26Å; V1272-Y1276 PolarHBondContact O-N 2.93Å; V1272-K1327 HydrophobicContact CG1-CD 4.08Å; V1272-I1331 HydrophobicContact CG1-CD1 4.24Å; V1272-I1331 HydrophobicContact CG1-CG1 3.88Å; V1272-L1334 HydrophobicContact CG2-CD1 4.14Å
1273D70.8Confident69.7Low55 Ų5578.6 Ų78.629%0.29438%0.382SS..Hα-helixtrans-66.6-40.3178.9-178.646.2000112.4L1269 K1275 Y1276 R1277L1269-D1273 WeakPolarHBondContact O-CB 3.38Å; L1269-D1273 PolarHBondContact O-N 2.92Å; D1273-K1275 VanDerWaalsContact C-N 3.28Å; D1273-K1275 PolarHBondContact O-N 3.11Å; D1273-Y1276 PolarHBondContact O-N 2.94Å; D1273-R1277 VanDerWaalsContact O-CG 3.29Å; D1273-R1277 WeakPolarHBondContact O-CG 3.43Å; D1273-R1277 PolarHBondContact O-N 3.32Å; D1273-R1277 IonicContact OD1-NE 2.96Å; D1273-R1277 PolarHBondContact OD1-NE 3.32Å; D1273-R1277 IonicContact OD2-CZ 3.54Å; D1273-R1277 IonicContact OD2-NE 2.79Å; D1273-R1277 PolarHBondContact OD2-NE 3.38Å; D1273-R1277 IonicContact OD2-NH2 3.04Å; D1273-R1277 PolarHBondContact OD2-NH2 3.24Å
1274A67.1Low70.1Confident55 Ų5578.9 Ų78.946%0.45538%0.377SS..Hα-helixtrans-59.5-38.617300000112.4R1270 N1278R1270-A1274 WeakPolarHBondContact O-CB 3.49Å; R1270-A1274 PolarHBondContact O-N 2.66Å; A1274-N1278 WeakPolarHBondContact O-CB 3.27Å; A1274-N1278 PolarHBondContact O-N 3.03Å
1275K72.6Confident70.5Confident125 Ų12581.8 Ų81.854%0.54339%0.385SS..Hα-helixtrans-66.2-47.8177-152.2177.2-172.5-179.20111.4L1271 V1272 D1273 R1277 N1278 E1279L1271-K1275 WeakPolarHBondContact O-CB 3.44Å; L1271-K1275 PolarHBondContact O-N 3.03Å; V1272-K1275 WeakPolarHBondContact O-CB 3.41Å; V1272-K1275 PolarHBondContact O-N 3.26Å; D1273-K1275 VanDerWaalsContact C-N 3.28Å; D1273-K1275 PolarHBondContact O-N 3.11Å; K1275-R1277 PolarHBondContact O-N 3.49Å; K1275-N1278 PolarHBondContact O-N 3.41Å; K1275-E1279 PolarHBondContact O-N 3.44Å
1276Y71.9Confident70.9Confident51 Ų5184.6 Ų84.620%0.240%0.397CS..Hα-helixtrans-58.3-46.8176.3171.1-113.8000112.7V1272 D1273 N1278 E1279 K1280 L1323 S1324 K1327V1272-Y1276 PolarHBondContact O-N 2.93Å; D1273-Y1276 PolarHBondContact O-N 2.94Å; Y1276-N1278 VanDerWaalsContact C-N 3.29Å; Y1276-N1278 PolarHBondContact O-N 2.99Å; Y1276-E1279 PolarHBondContact O-N 3.48Å; Y1276-K1280 VanDerWaalsContact O-CB 3.29Å; Y1276-K1280 WeakPolarHBondContact O-CB 3.4Å; Y1276-K1280 PolarHBondContact O-N 3.41Å; Y1276-L1323 HydrophobicContact CD2-CD2 4.23Å; Y1276-L1323 HydrophobicContact CD2-CG 4.26Å; Y1276-L1323 HydrophobicContact CE2-CD2 4.2Å; Y1276-L1323 HydrophobicContact CE2-CG 4.26Å; Y1276-S1324 PolarHBondContact OH-OG 2.9Å; Y1276-S1324 VanDerWaalsContact OH-OG 3.07Å; Y1276-K1327 HydrophobicContact CD2-CB 4.48Å; Y1276-K1327 HydrophobicContact CD2-CG 4.21Å
1277R68.7Low71.2Confident164 Ų16483.7 Ų83.762%0.61939%0.388SS*.Hα-helixtrans-57.8-41.1175.7-69.2174.1-166.8-146.59.6112.2D1273 K1275 S1281D1273-R1277 VanDerWaalsContact O-CG 3.29Å; D1273-R1277 WeakPolarHBondContact O-CG 3.43Å; D1273-R1277 PolarHBondContact O-N 3.32Å; D1273-R1277 IonicContact OD1-NE 2.96Å; D1273-R1277 PolarHBondContact OD1-NE 3.32Å; D1273-R1277 IonicContact OD2-CZ 3.54Å; D1273-R1277 IonicContact OD2-NE 2.79Å; D1273-R1277 PolarHBondContact OD2-NE 3.38Å; D1273-R1277 IonicContact OD2-NH2 3.04Å; D1273-R1277 PolarHBondContact OD2-NH2 3.24Å; K1275-R1277 PolarHBondContact O-N 3.49Å; R1277-S1281 WeakPolarHBondContact O-CB 3.09Å; R1277-S1281 PolarHBondContact O-N 2.92Å
1278N72Confident71.3Confident104 Ų10483.3 Ų83.356%0.55639%0.393SS*.Hα-helixtrans-70.3-45.5-178.3-161.413.7000111.8A1274 K1275 Y1276 S1281 T1282A1274-N1278 WeakPolarHBondContact O-CB 3.27Å; A1274-N1278 PolarHBondContact O-N 3.03Å; K1275-N1278 PolarHBondContact O-N 3.41Å; Y1276-N1278 VanDerWaalsContact C-N 3.29Å; Y1276-N1278 PolarHBondContact O-N 2.99Å; N1278-S1281 PolarHBondContact O-N 3.43Å; N1278-S1281 PolarHBondContact O-OG 3.1Å; N1278-T1282 PolarHBondContact O-N 2.9Å; N1278-T1282 PolarHBondContact O-OG1 3.45Å
1279E74.5Confident71.3Confident74 Ų7483.3 Ų83.335%0.34640%0.401SS..Hα-helixtrans-60.7-46.7174.7-72.2169.1178.800111.3K1275 Y1276 S1281 T1282 L1283 L1323K1275-E1279 PolarHBondContact O-N 3.44Å; Y1276-E1279 PolarHBondContact O-N 3.48Å; E1279-S1281 PolarHBondContact O-N 3.22Å; E1279-T1282 WeakPolarHBondContact O-CB 3.36Å; E1279-T1282 PolarHBondContact O-N 3.01Å; E1279-L1283 PolarHBondContact O-N 3.14Å; E1279-L1283 VanDerWaalsContact O-N 3.14Å; E1279-L1323 HydrophobicContact CB-CD2 4.16Å
1280K73.3Confident71.1Confident71 Ų7182.4 Ų82.431%0.30940%0.401SS..Hα-helixtrans-57.7-48.1174.5179.1175.7168.8176.30112.3Y1276 T1282 L1283 E1284Y1276-K1280 VanDerWaalsContact O-CB 3.29Å; Y1276-K1280 WeakPolarHBondContact O-CB 3.4Å; Y1276-K1280 PolarHBondContact O-N 3.41Å; K1280-T1282 PolarHBondContact O-N 2.97Å; K1280-T1282 VanDerWaalsContact O-N 3.09Å; K1280-L1283 PolarHBondContact O-N 3.1Å; K1280-L1283 VanDerWaalsContact O-N 3.14Å; K1280-E1284 WeakPolarHBondContact CE-OE1 3.48Å; K1280-E1284 HydrophobicContact CG-CG 4.45Å; K1280-E1284 IonicContact NZ-OE1 3.29Å; K1280-E1284 WeakPolarHBondContact O-CG 3.47Å; K1280-E1284 PolarHBondContact O-N 3.16Å
1281S70.6Confident71.1Confident33 Ų3376.8 Ų76.823%0.23138%0.383CS..Hα-helixtrans-62-20.317881.20000113.4R1277 N1278 E1279 R1285R1277-S1281 WeakPolarHBondContact O-CB 3.09Å; R1277-S1281 PolarHBondContact O-N 2.92Å; N1278-S1281 PolarHBondContact O-N 3.43Å; N1278-S1281 PolarHBondContact O-OG 3.1Å; E1279-S1281 PolarHBondContact O-N 3.22Å; S1281-R1285 WeakPolarHBondContact O-CB 3.22Å; S1281-R1285 WeakPolarHBondContact O-CG 3.45Å; S1281-R1285 PolarHBondContact O-N 3.28Å; S1281-R1285 PolarHBondContact O-NE 3.15Å; S1281-R1285 PolarHBondContact OG-NH2 3.09Å
1282T75.7Confident70.9Confident58 Ų5874.5 Ų74.536%0.35638%0.378SS..Hα-helixtrans-82.4-41.1178.1-55.60000110.6N1278 E1279 K1280 R1285 Q1286N1278-T1282 PolarHBondContact O-N 2.9Å; N1278-T1282 PolarHBondContact O-OG1 3.45Å; E1279-T1282 WeakPolarHBondContact O-CB 3.36Å; E1279-T1282 PolarHBondContact O-N 3.01Å; K1280-T1282 PolarHBondContact O-N 2.97Å; K1280-T1282 VanDerWaalsContact O-N 3.09Å; T1282-R1285 PolarHBondContact O-N 3.29Å; T1282-Q1286 WeakPolarHBondContact O-CG 3.37Å; T1282-Q1286 PolarHBondContact O-N 3.49Å
1283L73.3Confident70.6Confident35 Ų3577.4 Ų77.418%0.18340%0.399CS..Hα-helixtrans-62.4-41.2170-71.3168.6000111.9E1279 K1280 Q1286 L1287 L1323E1279-L1283 PolarHBondContact O-N 3.14Å; E1279-L1283 VanDerWaalsContact O-N 3.14Å; K1280-L1283 PolarHBondContact O-N 3.1Å; K1280-L1283 VanDerWaalsContact O-N 3.14Å; L1283-Q1286 PolarHBondContact O-N 2.95Å; L1283-L1287 PolarHBondContact O-N 3Å; L1283-L1323 HydrophobicContact CD1-CD2 3.98Å
1284E72Confident70Confident98 Ų9876.3 Ų76.346%0.45839%0.392SS..Hα-helixtrans-63.9-43.6177.2-71.7171.8151.600111.5K1280 Q1286 L1287 E1288K1280-E1284 WeakPolarHBondContact CE-OE1 3.48Å; K1280-E1284 HydrophobicContact CG-CG 4.45Å; K1280-E1284 IonicContact NZ-OE1 3.29Å; K1280-E1284 WeakPolarHBondContact O-CG 3.47Å; K1280-E1284 PolarHBondContact O-N 3.16Å; E1284-Q1286 PolarHBondContact O-N 3.43Å; E1284-L1287 WeakPolarHBondContact O-CB 3.44Å; E1284-L1287 PolarHBondContact O-N 3.13Å; E1284-E1288 PolarHBondContact O-N 2.9Å
1285R74.6Confident69.7Low139 Ų13981.2 Ų81.253%0.52540%0.399SS..Hα-helixtrans-65.3-33.8173.2-79.9176.1-76.7162.6-6.9113.6S1281 T1282 E1288 S1289S1281-R1285 WeakPolarHBondContact O-CB 3.22Å; S1281-R1285 WeakPolarHBondContact O-CG 3.45Å; S1281-R1285 PolarHBondContact O-N 3.28Å; S1281-R1285 PolarHBondContact O-NE 3.15Å; S1281-R1285 PolarHBondContact OG-NH2 3.09Å; T1282-R1285 PolarHBondContact O-N 3.29Å; R1285-E1288 PolarHBondContact O-N 3.49Å; R1285-S1289 WeakPolarHBondContact O-CB 3.31Å; R1285-S1289 PolarHBondContact O-N 3.01Å
1286Q73.8Confident69Low114 Ų11482.2 Ų82.253%0.53341%0.41SS..Hα-helixtrans-65.7-38.8172-76.1176.8-5.400111.7T1282 L1283 E1284 A1290T1282-Q1286 WeakPolarHBondContact O-CG 3.37Å; T1282-Q1286 PolarHBondContact O-N 3.49Å; L1283-Q1286 PolarHBondContact O-N 2.95Å; E1284-Q1286 PolarHBondContact O-N 3.43Å; Q1286-A1290 WeakPolarHBondContact O-CB 3.43Å; Q1286-A1290 PolarHBondContact O-N 3.22Å
1287L68.9Low68.3Low32 Ų3285.9 Ų85.917%0.16843%0.431CS..Hα-helixtrans-64.5-43.3174.2177.265000112L1283 E1284 A1290 Q1291 F1312 I1316L1283-L1287 PolarHBondContact O-N 3Å; E1284-L1287 WeakPolarHBondContact O-CB 3.44Å; E1284-L1287 PolarHBondContact O-N 3.13Å; L1287-A1290 PolarHBondContact O-N 2.93Å; L1287-Q1291 HydrophobicContact CD1-CG 4.33Å; L1287-Q1291 WeakPolarHBondContact O-CB 3.48Å; L1287-Q1291 VanDerWaalsContact O-CG 3.31Å; L1287-Q1291 WeakPolarHBondContact O-CG 3.38Å; L1287-Q1291 PolarHBondContact O-N 3.03Å; L1287-F1312 HydrophobicContact CD1-CD1 4.48Å; L1287-I1316 HydrophobicContact CD1-CG1 4.27Å; L1287-I1316 HydrophobicContact CD2-CG2 4.27Å
1288E70.6Confident67.2Low134 Ų13483.5 Ų83.563%0.62643%0.427SS*.Hα-helixtrans-63.4-45.1176.2-70.7-171.6138.600112.2E1284 R1285 Q1291 A1292E1284-E1288 PolarHBondContact O-N 2.9Å; R1285-E1288 PolarHBondContact O-N 3.49Å; E1288-Q1291 PolarHBondContact O-N 2.83Å; E1288-A1292 PolarHBondContact O-N 3.29Å
1289S70.4Confident66.2Low76 Ų7687.3 Ų87.353%0.53144%0.441SS..Hα-helixtrans-59.2-48.2175.6-179.20000111.9R1285 Q1291 A1292 S1293R1285-S1289 WeakPolarHBondContact O-CB 3.31Å; R1285-S1289 PolarHBondContact O-N 3.01Å; S1289-Q1291 VanDerWaalsContact C-N 3.34Å; S1289-Q1291 PolarHBondContact O-N 2.9Å; S1289-A1292 WeakPolarHBondContact O-CB 3.39Å; S1289-A1292 PolarHBondContact O-N 3.26Å; S1289-S1293 PolarHBondContact O-N 2.95Å; S1289-S1293 VanDerWaalsContact O-N 3.12Å
1290A65.6Low65.1Low35 Ų3592 Ų9229%0.28946%0.463SS..Hα-helixtrans-62.3-39.3176.400000112.3Q1286 L1287 L1294 F1312Q1286-A1290 WeakPolarHBondContact O-CB 3.43Å; Q1286-A1290 PolarHBondContact O-N 3.22Å; L1287-A1290 PolarHBondContact O-N 2.93Å; A1290-L1294 VanDerWaalsContact O-CB 3.27Å; A1290-L1294 WeakPolarHBondContact O-CB 3.39Å; A1290-L1294 PolarHBondContact O-N 2.98Å; A1290-F1312 HydrophobicContact CB-CE1 4.03Å; A1290-F1312 HydrophobicContact CB-CZ 4.38Å
1291Q66Low64.2Low52 Ų5294.6 Ų94.624%0.24348%0.476CS..Hα-helixtrans-67.2-33.4174.8-77.7-176.736.300113.2L1287 E1288 S1289 R1295L1287-Q1291 HydrophobicContact CD1-CG 4.33Å; L1287-Q1291 WeakPolarHBondContact O-CB 3.48Å; L1287-Q1291 VanDerWaalsContact O-CG 3.31Å; L1287-Q1291 WeakPolarHBondContact O-CG 3.38Å; L1287-Q1291 PolarHBondContact O-N 3.03Å; E1288-Q1291 PolarHBondContact O-N 2.83Å; S1289-Q1291 VanDerWaalsContact C-N 3.34Å; S1289-Q1291 PolarHBondContact O-N 2.9Å; Q1291-R1295 VanDerWaalsContact O-CG 3.3Å; Q1291-R1295 WeakPolarHBondContact O-CG 3.36Å; Q1291-R1295 PolarHBondContact O-N 3.37Å; Q1291-R1295 VanDerWaalsContact O-N 3.15Å
1292A65.9Low63.5Low50 Ų5097 Ų9741%0.41350%0.498SS..Hα-helixtrans-64.8-55.2175.300000110.5E1288 S1289 L1294 R1295 D1296E1288-A1292 PolarHBondContact O-N 3.29Å; S1289-A1292 WeakPolarHBondContact O-CB 3.39Å; S1289-A1292 PolarHBondContact O-N 3.26Å; A1292-L1294 PolarHBondContact O-N 2.95Å; A1292-R1295 WeakPolarHBondContact O-CB 3.35Å; A1292-R1295 PolarHBondContact O-N 3.41Å; A1292-D1296 PolarHBondContact O-N 2.98Å
1293S64.8Low62.6Low71 Ų71100.1 Ų100.150%0.49752%0.517SS..Hα-helixtrans-61.7-27.3177.3-57.40000113.6S1289S1289-S1293 PolarHBondContact O-N 2.95Å; S1289-S1293 VanDerWaalsContact O-N 3.12Å
1294L58.8Low61.9Low31 Ų31101.1 Ų101.116%0.16253%0.531CS..Hα-helixtrans-73.5-32.4174.9-166.567.8000112.6A1290 A1292 M1297 Q1298 I1305 N1309A1290-L1294 VanDerWaalsContact O-CB 3.27Å; A1290-L1294 WeakPolarHBondContact O-CB 3.39Å; A1290-L1294 PolarHBondContact O-N 2.98Å; A1292-L1294 PolarHBondContact O-N 2.95Å; L1294-M1297 HydrophobicContact CD1-CE 4.12Å; L1294-M1297 PolarHBondContact O-N 2.66Å; L1294-Q1298 WeakPolarHBondContact O-CG 3.08Å; L1294-I1305 HydrophobicContact CD1-CG2 4.17Å; L1294-I1305 HydrophobicContact CD2-CG2 4.06Å; L1294-I1305 HydrophobicContact CG-CG2 3.98Å; L1294-N1309 HydrophobicContact CD2-CB 4Å
1295R60.4Low61.3Low159 Ų15997.4 Ų97.460%0.651%0.514SS*.Hα-helixtrans-65.6-42.1175.4-72.9170.5-155.2-167.27.6111.6Q1291 A1292 M1297 Q1298Q1291-R1295 VanDerWaalsContact O-CG 3.3Å; Q1291-R1295 WeakPolarHBondContact O-CG 3.36Å; Q1291-R1295 PolarHBondContact O-N 3.37Å; Q1291-R1295 VanDerWaalsContact O-N 3.15Å; A1292-R1295 WeakPolarHBondContact O-CB 3.35Å; A1292-R1295 PolarHBondContact O-N 3.41Å; R1295-M1297 PolarHBondContact O-N 2.83Å; R1295-M1297 VanDerWaalsContact O-N 3.14Å; R1295-Q1298 WeakPolarHBondContact O-CB 3.34Å; R1295-Q1298 PolarHBondContact O-N 3.47Å
1296D57.9Low60.6Low145 Ų14593.7 Ų93.778%0.77551%0.513SS*.Hα-helixtrans-63.2-19.5179-67.3-21.8000113.1A1292A1292-D1296 PolarHBondContact O-N 2.98Å
1297M55.8Low60.2Low129 Ų12993 Ų9364%0.63551%0.51SS*.THydrogen-bonded Turntrans-91.20.3174.9-66.5-165.8-7000114.8L1294 R1295 Q1299L1294-M1297 HydrophobicContact CD1-CE 4.12Å; L1294-M1297 PolarHBondContact O-N 2.66Å; R1295-M1297 PolarHBondContact O-N 2.83Å; R1295-M1297 VanDerWaalsContact O-N 3.14Å; M1297-Q1299 PolarHBondContact O-N 3Å
1298Q47.2Very low60.1Low113 Ų11395.3 Ų95.353%0.52853%0.525SS..THydrogen-bonded Turntrans-79.235.7-171.7-66.1-164.7-78.700116L1294 R1295 I1305L1294-Q1298 WeakPolarHBondContact O-CG 3.08Å; R1295-Q1298 WeakPolarHBondContact O-CB 3.34Å; R1295-Q1298 PolarHBondContact O-N 3.47Å; Q1298-I1305 HydrophobicContact CG-CD1 4.01Å; Q1298-I1305 HydrophobicContact CG-CG2 4.28Å
1299Q51.1Low59.9Low184 Ų18491.8 Ų91.886%0.8651%0.51SS*.THydrogen-bonded Turntrans-97.6-12.2-178.8-146.6171.919.700115.9M1297M1297-Q1299 PolarHBondContact O-N 3Å
1300Q49.7Very low60Low172 Ų17293.9 Ų93.980%0.80451%0.509SS*.SBendtrans-136.7-22.8-176.3-68.8-170.7-12.400118.4
1301H55.2Low60.4Low127 Ų12796.5 Ų96.559%0.58852%0.519SS*.  trans-135.172.7-175-75.1-72.6000115T1303 A1304 I1305H1301-T1303 PolarHBondContact O-N 2.94Å; H1301-A1304 HydrophobicContact CB-CB 4.29Å; H1301-A1304 PolarHBondContact O-N 3.32Å; H1301-I1305 VanDerWaalsContact O-CG1 3.31Å; H1301-I1305 WeakPolarHBondContact O-CG1 3.31Å; H1301-I1305 PolarHBondContact O-N 3.25Å
1302A56.8Low60.6Low82 Ų8298.8 Ų98.868%0.67853%0.528SS*.Hα-helixtrans-55.7-43.8-178.900000114.4A1306A1302-A1306 PolarHBondContact O-N 3Å
1303T57Low60.7Low125 Ų125102.2 Ų102.277%0.76753%0.533SS*.Hα-helixtrans-69.9-42.1-176.810.20000113.3H1301 A1306H1301-T1303 PolarHBondContact O-N 2.94Å; T1303-A1306 PolarHBondContact O-N 3.35Å
1304A57.4Low61.2Low56 Ų56103.6 Ų103.646%0.46354%0.535SS..Hα-helixtrans-68.3-38.5179.200000111.9H1301 A1306 E1307 V1308H1301-A1304 HydrophobicContact CB-CB 4.29Å; H1301-A1304 PolarHBondContact O-N 3.32Å; A1304-A1306 VanDerWaalsContact C-N 3.3Å; A1304-A1306 PolarHBondContact O-N 3.22Å; A1304-E1307 PolarHBondContact O-N 3.24Å; A1304-V1308 WeakPolarHBondContact O-CG2 3.31Å; A1304-V1308 PolarHBondContact O-N 2.91Å
1305I58.8Low62Low20 Ų20107.2 Ų107.210%0.10355%0.549CS..Hα-helixtrans-65.8-33.8179.4-67.3172000111.2L1294 Q1298 H1301 V1308 N1309L1294-I1305 HydrophobicContact CD1-CG2 4.17Å; L1294-I1305 HydrophobicContact CD2-CG2 4.06Å; L1294-I1305 HydrophobicContact CG-CG2 3.98Å; Q1298-I1305 HydrophobicContact CG-CD1 4.01Å; Q1298-I1305 HydrophobicContact CG-CG2 4.28Å; H1301-I1305 VanDerWaalsContact O-CG1 3.31Å; H1301-I1305 WeakPolarHBondContact O-CG1 3.31Å; H1301-I1305 PolarHBondContact O-N 3.25Å; I1305-V1308 PolarHBondContact O-N 3.33Å; I1305-N1309 VanDerWaalsContact O-CB 3.27Å; I1305-N1309 WeakPolarHBondContact O-CB 3.33Å; I1305-N1309 PolarHBondContact O-N 3.09Å
1306A60.5Low62.5Low61 Ų61100.7 Ų100.750%0.50453%0.526SS..Hα-helixtrans-61.8-43.7175.600000112.8A1302 T1303 A1304 N1309 K1310A1302-A1306 PolarHBondContact O-N 3Å; T1303-A1306 PolarHBondContact O-N 3.35Å; A1304-A1306 VanDerWaalsContact C-N 3.3Å; A1304-A1306 PolarHBondContact O-N 3.22Å; A1306-N1309 PolarHBondContact O-N 2.84Å; A1306-K1310 WeakPolarHBondContact O-CB 3.32Å; A1306-K1310 PolarHBondContact O-N 3.42Å
1307E64.7Low63.1Low100 Ų10099.1 Ų99.147%0.46751%0.514SS..Hα-helixtrans-67.3-41.5178.5-151.973.4-120.300111.5A1304 K1310 N1311A1304-E1307 PolarHBondContact O-N 3.24Å; E1307-K1310 PolarHBondContact O-N 3.28Å; E1307-K1310 IonicContact OE1-NZ 2.66Å; E1307-K1310 PolarHBondContact OE1-NZ 3.39Å; E1307-K1310 VanDerWaalsContact OE1-NZ 3.15Å; E1307-N1311 WeakPolarHBondContact O-CB 3.47Å; E1307-N1311 PolarHBondContact O-N 3.41Å; E1307-N1311 PolarHBondContact O-ND2 3.46Å
1308V68.1Low64.1Low80 Ų8097.2 Ų97.249%0.48550%0.504SS..Hα-helixtrans-61.4-47.2174.7172.80000111A1304 I1305 K1310 N1311 F1312A1304-V1308 WeakPolarHBondContact O-CG2 3.31Å; A1304-V1308 PolarHBondContact O-N 2.91Å; I1305-V1308 PolarHBondContact O-N 3.33Å; V1308-K1310 VanDerWaalsContact C-N 3.33Å; V1308-K1310 PolarHBondContact O-N 2.98Å; V1308-N1311 PolarHBondContact O-N 2.98Å; V1308-F1312 WeakPolarHBondContact O-CB 3.32Å; V1308-F1312 PolarHBondContact O-N 3.29Å
1309N65.4Low65.5Low59 Ų5995.9 Ų95.932%0.31650%0.5SS..Hα-helixtrans-64.6-38.5-178.1-149.9-7.1000111.4L1294 I1305 A1306 K1313L1294-N1309 HydrophobicContact CD2-CB 4Å; I1305-N1309 VanDerWaalsContact O-CB 3.27Å; I1305-N1309 WeakPolarHBondContact O-CB 3.33Å; I1305-N1309 PolarHBondContact O-N 3.09Å; A1306-N1309 PolarHBondContact O-N 2.84Å; N1309-K1313 VanDerWaalsContact O-CB 3.27Å; N1309-K1313 WeakPolarHBondContact O-CB 3.36Å; N1309-K1313 PolarHBondContact O-N 3.19Å
1310K72.2Confident66.3Low120 Ų12088.5 Ų88.552%0.52247%0.467SS..Hα-helixtrans-62.1-48.3172.9-178.8-172.1171.1-162.60112.2A1306 E1307 V1308 K1313 L1314A1306-K1310 WeakPolarHBondContact O-CB 3.32Å; A1306-K1310 PolarHBondContact O-N 3.42Å; E1307-K1310 PolarHBondContact O-N 3.28Å; E1307-K1310 IonicContact OE1-NZ 2.66Å; E1307-K1310 PolarHBondContact OE1-NZ 3.39Å; E1307-K1310 VanDerWaalsContact OE1-NZ 3.15Å; V1308-K1310 VanDerWaalsContact C-N 3.33Å; V1308-K1310 PolarHBondContact O-N 2.98Å; K1310-K1313 PolarHBondContact O-N 3.23Å; K1310-L1314 HydrophobicContact CG-CD1 4.41Å; K1310-L1314 WeakPolarHBondContact O-CG 3.46Å; K1310-L1314 PolarHBondContact O-N 3.45Å
1311N74.4Confident67.4Low90 Ų9084.7 Ų84.748%0.48145%0.453SS..Hα-helixtrans-67.7-38.2179.2-72.9-26.8000112.6E1307 V1308 L1314 K1315E1307-N1311 WeakPolarHBondContact O-CB 3.47Å; E1307-N1311 PolarHBondContact O-N 3.41Å; E1307-N1311 PolarHBondContact O-ND2 3.46Å; V1308-N1311 PolarHBondContact O-N 2.98Å; N1311-L1314 PolarHBondContact O-N 3.19Å; N1311-K1315 PolarHBondContact O-N 3.02Å
1312F70.4Confident68.5Low100 Ų10082.9 Ų82.944%0.43945%0.447SS..Hα-helixtrans-67.2-40.6176.6-152.8-89.4000111.5L1287 A1290 V1308 K1315 I1316L1287-F1312 HydrophobicContact CD1-CD1 4.48Å; A1290-F1312 HydrophobicContact CB-CE1 4.03Å; A1290-F1312 HydrophobicContact CB-CZ 4.38Å; V1308-F1312 WeakPolarHBondContact O-CB 3.32Å; V1308-F1312 PolarHBondContact O-N 3.29Å; F1312-K1315 PolarHBondContact O-N 2.93Å; F1312-I1316 HydrophobicContact CD1-CG1 3.95Å; F1312-I1316 HydrophobicContact CE1-CD1 4.13Å; F1312-I1316 HydrophobicContact CE1-CG1 3.96Å; F1312-I1316 WeakPolarHBondContact O-CG1 3.37Å; F1312-I1316 PolarHBondContact O-N 3.28Å
1313K67.8Low69.3Low122 Ų12280.9 Ų80.953%0.5343%0.425SS..Hα-helixtrans-64.7-41175-159.7174.7-170.7-179.10111.9N1309 K1310 I1316 Q1317N1309-K1313 VanDerWaalsContact O-CB 3.27Å; N1309-K1313 WeakPolarHBondContact O-CB 3.36Å; N1309-K1313 PolarHBondContact O-N 3.19Å; K1310-K1313 PolarHBondContact O-N 3.23Å; K1313-I1316 PolarHBondContact O-N 3Å; K1313-Q1317 WeakPolarHBondContact O-CB 3.28Å; K1313-Q1317 PolarHBondContact O-N 3.21Å
1314L75.7Confident69.9Low101 Ų10176.7 Ų76.753%0.52940%0.401SS..Hα-helixtrans-59.3-44.6170.9-80.1165.2000112K1310 N1311 Q1317 E1318K1310-L1314 HydrophobicContact CG-CD1 4.41Å; K1310-L1314 WeakPolarHBondContact O-CG 3.46Å; K1310-L1314 PolarHBondContact O-N 3.45Å; N1311-L1314 PolarHBondContact O-N 3.19Å; L1314-Q1317 PolarHBondContact O-N 3.03Å; L1314-E1318 WeakPolarHBondContact O-CB 3.14Å; L1314-E1318 PolarHBondContact O-N 2.91Å
1315K75.7Confident70.8Confident107 Ų10780.5 Ų80.547%0.46541%0.407SS..Hα-helixtrans-68-38.4-179.6-158.275.4-153164.80113N1311 F1312 E1318 L1319N1311-K1315 PolarHBondContact O-N 3.02Å; F1312-K1315 PolarHBondContact O-N 2.93Å; K1315-E1318 WeakPolarHBondContact CD-OE2 3.21Å; K1315-E1318 VanDerWaalsContact CE-OE2 3.31Å; K1315-E1318 WeakPolarHBondContact CE-OE2 3.29Å; K1315-E1318 IonicContact NZ-OE1 3.15Å; K1315-E1318 PolarHBondContact NZ-OE1 2.84Å; K1315-E1318 IonicContact NZ-OE2 3.66Å; K1315-E1318 PolarHBondContact NZ-OE2 3.34Å; K1315-L1319 WeakPolarHBondContact O-CB 3.27Å; K1315-L1319 VanDerWaalsContact O-CG 3.3Å; K1315-L1319 WeakPolarHBondContact O-CG 3.42Å; K1315-L1319 PolarHBondContact O-N 2.85Å
1316I70.1Confident71.6Confident21 Ų2183 Ų8311%0.10843%0.426CS..Hα-helixtrans-66-39.8173.5-68.8-81.5000110.7L1287 F1312 K1313 L1319 T1320L1287-I1316 HydrophobicContact CD1-CG1 4.27Å; L1287-I1316 HydrophobicContact CD2-CG2 4.27Å; F1312-I1316 HydrophobicContact CD1-CG1 3.95Å; F1312-I1316 HydrophobicContact CE1-CD1 4.13Å; F1312-I1316 HydrophobicContact CE1-CG1 3.96Å; F1312-I1316 WeakPolarHBondContact O-CG1 3.37Å; F1312-I1316 PolarHBondContact O-N 3.28Å; K1313-I1316 PolarHBondContact O-N 3Å; I1316-L1319 PolarHBondContact O-N 3.32Å; I1316-T1320 WeakPolarHBondContact O-CB 3.41Å; I1316-T1320 PolarHBondContact O-N 2.94Å; I1316-T1320 PolarHBondContact O-OG1 3.06Å
1317Q71.7Confident72.1Confident112 Ų11281 Ų8152%0.52341%0.406SS..Hα-helixtrans-66.6-45.7176.3-168.81493.100111.9K1313 L1314 L1319 T1320 D1321K1313-Q1317 WeakPolarHBondContact O-CB 3.28Å; K1313-Q1317 PolarHBondContact O-N 3.21Å; L1314-Q1317 PolarHBondContact O-N 3.03Å; Q1317-L1319 VanDerWaalsContact C-N 3.31Å; Q1317-L1319 PolarHBondContact O-N 3.3Å; Q1317-T1320 CarbonylContact O-C 3.57Å; Q1317-T1320 WeakPolarHBondContact O-CB 3.41Å; Q1317-T1320 PolarHBondContact O-N 2.99Å; Q1317-D1321 WeakPolarHBondContact O-CB 3.19Å; Q1317-D1321 VanDerWaalsContact O-CG 3.24Å; Q1317-D1321 PolarHBondContact O-N 2.85Å
1318E77.1Confident72.3Confident89 Ų8982 Ų8242%0.41641%0.414SS..Hα-helixtrans-56-41.5171.7-174.9-167.5155.400112.5L1314 K1315 N1322L1314-E1318 WeakPolarHBondContact O-CB 3.14Å; L1314-E1318 PolarHBondContact O-N 2.91Å; K1315-E1318 WeakPolarHBondContact CD-OE2 3.21Å; K1315-E1318 VanDerWaalsContact CE-OE2 3.31Å; K1315-E1318 WeakPolarHBondContact CE-OE2 3.29Å; K1315-E1318 IonicContact NZ-OE1 3.15Å; K1315-E1318 PolarHBondContact NZ-OE1 2.84Å; K1315-E1318 IonicContact NZ-OE2 3.66Å; K1315-E1318 PolarHBondContact NZ-OE2 3.34Å; E1318-N1322 VanDerWaalsContact O-CB 3.32Å; E1318-N1322 WeakPolarHBondContact O-CB 3.33Å; E1318-N1322 VanDerWaalsContact O-CG 3.28Å; E1318-N1322 PolarHBondContact O-N 3.39Å; E1318-N1322 PolarHBondContact O-ND2 3.46Å
1319L75.8Confident72.6Confident85 Ų8582.1 Ų82.145%0.44541%0.412SS..Hα-helixtrans-66.1-37.9174-76.4167.1000112.4K1315 I1316 Q1317 L1323K1315-L1319 WeakPolarHBondContact O-CB 3.27Å; K1315-L1319 VanDerWaalsContact O-CG 3.3Å; K1315-L1319 WeakPolarHBondContact O-CG 3.42Å; K1315-L1319 PolarHBondContact O-N 2.85Å; I1316-L1319 PolarHBondContact O-N 3.32Å; Q1317-L1319 VanDerWaalsContact C-N 3.31Å; Q1317-L1319 PolarHBondContact O-N 3.3Å; L1319-L1323 WeakPolarHBondContact O-CB 3.38Å; L1319-L1323 PolarHBondContact O-N 2.92Å
1320T68.9Low73Confident30 Ų3083 Ų8318%0.18441%0.414CS..Hα-helixtrans-71.3-41.5-179.9-54.20000110.9I1316 Q1317 L1323 S1324I1316-T1320 WeakPolarHBondContact O-CB 3.41Å; I1316-T1320 PolarHBondContact O-N 2.94Å; I1316-T1320 PolarHBondContact O-OG1 3.06Å; Q1317-T1320 CarbonylContact O-C 3.57Å; Q1317-T1320 WeakPolarHBondContact O-CB 3.41Å; Q1317-T1320 PolarHBondContact O-N 2.99Å; T1320-L1323 PolarHBondContact O-N 2.81Å; T1320-S1324 VanDerWaalsContact O-CB 3.31Å; T1320-S1324 WeakPolarHBondContact O-CB 3.36Å; T1320-S1324 PolarHBondContact O-N 3.5Å; T1320-S1324 PolarHBondContact O-OG 3.31Å
1321D73Confident72.7Confident92 Ų9279.5 Ų79.549%0.49240%0.4SS..Hα-helixtrans-65.8-42.5176.2-66.2-22.5000110.7Q1317 S1324 K1325Q1317-D1321 WeakPolarHBondContact O-CB 3.19Å; Q1317-D1321 VanDerWaalsContact O-CG 3.24Å; Q1317-D1321 PolarHBondContact O-N 2.85Å; D1321-S1324 PolarHBondContact O-N 2.84Å; D1321-K1325 VanDerWaalsContact O-CB 3.27Å; D1321-K1325 WeakPolarHBondContact O-CB 3.45Å; D1321-K1325 PolarHBondContact O-N 3.38Å
1322N77.3Confident72.5Confident89 Ų8980.5 Ų80.548%0.47640%0.401SS..Hα-helixtrans-65.5-41.4174.6-77.4-48.2000112.8E1318 K1325 S1326E1318-N1322 VanDerWaalsContact O-CB 3.32Å; E1318-N1322 WeakPolarHBondContact O-CB 3.33Å; E1318-N1322 VanDerWaalsContact O-CG 3.28Å; E1318-N1322 PolarHBondContact O-N 3.39Å; E1318-N1322 PolarHBondContact O-ND2 3.46Å; N1322-K1325 PolarHBondContact O-N 3.08Å; N1322-S1326 WeakPolarHBondContact O-CB 3.44Å; N1322-S1326 PolarHBondContact O-N 3.29Å
1323L74.6Confident72.7Confident40 Ų4080.5 Ų80.521%0.20941%0.409CS..Hα-helixtrans-62.9-45.4174.6-175.470.2000111.1Y1276 E1279 L1283 L1319 T1320 K1325 S1326 K1327Y1276-L1323 HydrophobicContact CD2-CD2 4.23Å; Y1276-L1323 HydrophobicContact CD2-CG 4.26Å; Y1276-L1323 HydrophobicContact CE2-CD2 4.2Å; Y1276-L1323 HydrophobicContact CE2-CG 4.26Å; E1279-L1323 HydrophobicContact CB-CD2 4.16Å; L1283-L1323 HydrophobicContact CD1-CD2 3.98Å; L1319-L1323 WeakPolarHBondContact O-CB 3.38Å; L1319-L1323 PolarHBondContact O-N 2.92Å; T1320-L1323 PolarHBondContact O-N 2.81Å; L1323-K1325 VanDerWaalsContact C-N 3.33Å; L1323-K1325 PolarHBondContact O-N 2.99Å; L1323-S1326 PolarHBondContact O-N 3.39Å; L1323-K1327 PolarHBondContact O-N 2.87Å
1324S69.2Low72.8Confident37 Ų3777.1 Ų77.126%0.25940%0.396SS..Hα-helixtrans-58.7-44.8176.8-57.40000111.2Y1276 T1320 D1321 K1327 L1328Y1276-S1324 PolarHBondContact OH-OG 2.9Å; Y1276-S1324 VanDerWaalsContact OH-OG 3.07Å; T1320-S1324 VanDerWaalsContact O-CB 3.31Å; T1320-S1324 WeakPolarHBondContact O-CB 3.36Å; T1320-S1324 PolarHBondContact O-N 3.5Å; T1320-S1324 PolarHBondContact O-OG 3.31Å; D1321-S1324 PolarHBondContact O-N 2.84Å; S1324-K1327 PolarHBondContact O-N 3.12Å; S1324-L1328 WeakPolarHBondContact O-CB 3.34Å; S1324-L1328 PolarHBondContact O-N 3.37Å
1325K76.1Confident72.3Confident136 Ų13676.5 Ų76.559%0.59139%0.391SS*.Hα-helixtrans-67.8-45-179.7-166.2175.4-175.6-178.20112.3D1321 N1322 L1323 K1327 L1328 D1329D1321-K1325 VanDerWaalsContact O-CB 3.27Å; D1321-K1325 WeakPolarHBondContact O-CB 3.45Å; D1321-K1325 PolarHBondContact O-N 3.38Å; N1322-K1325 PolarHBondContact O-N 3.08Å; L1323-K1325 VanDerWaalsContact C-N 3.33Å; L1323-K1325 PolarHBondContact O-N 2.99Å; K1325-K1327 VanDerWaalsContact C-N 3.34Å; K1325-K1327 PolarHBondContact O-N 3.33Å; K1325-L1328 WeakPolarHBondContact O-CB 3.47Å; K1325-L1328 PolarHBondContact O-N 2.83Å; K1325-L1328 VanDerWaalsContact O-N 3.1Å; K1325-D1329 PolarHBondContact O-N 2.9Å
1326S75.8Confident72.1Confident72 Ų7277 Ų7750%0.50339%0.394SS..Hα-helixtrans-56.7-46.2174.4-175.80000111.8N1322 L1323 D1329 E1330N1322-S1326 WeakPolarHBondContact O-CB 3.44Å; N1322-S1326 PolarHBondContact O-N 3.29Å; L1323-S1326 PolarHBondContact O-N 3.39Å; S1326-D1329 PolarHBondContact O-N 3.12Å; S1326-E1330 PolarHBondContact O-N 2.94Å
1327K70.9Confident72.1Confident20 Ų2078 Ų789%0.08741%0.411CS..Hα-helixtrans-70.3-28.7174.8-75.7-54-165.2-166.50114.1V1272 Y1276 L1323 S1324 K1325 E1330 I1331V1272-K1327 HydrophobicContact CG1-CD 4.08Å; Y1276-K1327 HydrophobicContact CD2-CB 4.48Å; Y1276-K1327 HydrophobicContact CD2-CG 4.21Å; L1323-K1327 PolarHBondContact O-N 2.87Å; S1324-K1327 PolarHBondContact O-N 3.12Å; K1325-K1327 VanDerWaalsContact C-N 3.34Å; K1325-K1327 PolarHBondContact O-N 3.33Å; K1327-E1330 HydrophobicContact CD-CB 4.42Å; K1327-E1330 WeakPolarHBondContact CD-OE2 3.44Å; K1327-E1330 IonicContact NZ-OE1 2.72Å; K1327-E1330 PolarHBondContact NZ-OE1 3.41Å; K1327-E1330 IonicContact NZ-OE2 2.63Å; K1327-E1330 PolarHBondContact NZ-OE2 2.66Å; K1327-I1331 WeakPolarHBondContact O-CB 3.42Å; K1327-I1331 WeakPolarHBondContact O-CD1 3.31Å; K1327-I1331 VanDerWaalsContact O-CG1 3.25Å; K1327-I1331 WeakPolarHBondContact O-CG1 3.33Å; K1327-I1331 PolarHBondContact O-N 3.31Å
1328L68.5Low71.8Confident120 Ų12074.6 Ų74.663%0.62839%0.393SS*.Hα-helixtrans-62.7-47.1171.5-14683.3000110.8S1324 K1325 I1331 K1332S1324-L1328 WeakPolarHBondContact O-CB 3.34Å; S1324-L1328 PolarHBondContact O-N 3.37Å; K1325-L1328 WeakPolarHBondContact O-CB 3.47Å; K1325-L1328 PolarHBondContact O-N 2.83Å; K1325-L1328 VanDerWaalsContact O-N 3.1Å; L1328-I1331 PolarHBondContact O-N 2.87Å; L1328-K1332 VanDerWaalsContact O-CB 3.3Å; L1328-K1332 WeakPolarHBondContact O-CB 3.47Å; L1328-K1332 PolarHBondContact O-N 3.02Å
1329D74.2Confident71.3Confident83 Ų8374.5 Ų74.544%0.44440%0.395SS..Hα-helixtrans-68.8-34.8179.4-69-33.8000112.2K1325 S1326 K1332 T1333K1325-D1329 PolarHBondContact O-N 2.9Å; S1326-D1329 PolarHBondContact O-N 3.12Å; D1329-K1332 PolarHBondContact O-N 3.21Å; D1329-T1333 WeakPolarHBondContact O-CB 3.23Å; D1329-T1333 PolarHBondContact O-N 3.43Å; D1329-T1333 PolarHBondContact O-OG1 2.88Å
1330E73.3Confident71.1Confident78 Ų7874 Ų7436%0.36440%0.399SS..Hα-helixtrans-63.9-47.3172.6-167.7-178.6124.200111.8S1326 K1327 K1332 T1333 L1334S1326-E1330 PolarHBondContact O-N 2.94Å; K1327-E1330 HydrophobicContact CD-CB 4.42Å; K1327-E1330 WeakPolarHBondContact CD-OE2 3.44Å; K1327-E1330 IonicContact NZ-OE1 2.72Å; K1327-E1330 PolarHBondContact NZ-OE1 3.41Å; K1327-E1330 IonicContact NZ-OE2 2.63Å; K1327-E1330 PolarHBondContact NZ-OE2 2.66Å; E1330-K1332 VanDerWaalsContact C-N 3.3Å; E1330-K1332 PolarHBondContact O-N 3.43Å; E1330-T1333 PolarHBondContact O-N 2.96Å; E1330-L1334 WeakPolarHBondContact O-CG 3.1Å; E1330-L1334 PolarHBondContact O-N 3.36Å; E1330-L1334 VanDerWaalsContact O-N 3.09Å
1331I67.1Low70.8Confident45 Ų4574.9 Ų74.923%0.23141%0.406CS..Hα-helixtrans-59.2-42.7173.5-73.6167.2000110.7L1269 V1272 K1327 L1328 L1334 Q1335L1269-I1331 HydrophobicContact CD2-CG1 4.38Å; L1269-I1331 HydrophobicContact CD2-CG2 3.98Å; V1272-I1331 HydrophobicContact CG1-CD1 4.24Å; V1272-I1331 HydrophobicContact CG1-CG1 3.88Å; K1327-I1331 WeakPolarHBondContact O-CB 3.42Å; K1327-I1331 WeakPolarHBondContact O-CD1 3.31Å; K1327-I1331 VanDerWaalsContact O-CG1 3.25Å; K1327-I1331 WeakPolarHBondContact O-CG1 3.33Å; K1327-I1331 PolarHBondContact O-N 3.31Å; L1328-I1331 PolarHBondContact O-N 2.87Å; I1331-L1334 PolarHBondContact O-N 3.42Å; I1331-Q1335 HydrophobicContact CG2-CG 4.43Å; I1331-Q1335 WeakPolarHBondContact O-CB 3.15Å; I1331-Q1335 WeakPolarHBondContact O-CG 3.42Å; I1331-Q1335 PolarHBondContact O-N 3.16Å
1332K70.4Confident70.5Confident112 Ų11274 Ų7449%0.48740%0.397SS..Hα-helixtrans-65.9-43.4-178.9-155-172-172.8-160.60112.2L1328 D1329 E1330 L1334 Q1335 E1336L1328-K1332 VanDerWaalsContact O-CB 3.3Å; L1328-K1332 WeakPolarHBondContact O-CB 3.47Å; L1328-K1332 PolarHBondContact O-N 3.02Å; D1329-K1332 PolarHBondContact O-N 3.21Å; E1330-K1332 VanDerWaalsContact C-N 3.3Å; E1330-K1332 PolarHBondContact O-N 3.43Å; K1332-L1334 VanDerWaalsContact C-N 3.32Å; K1332-L1334 PolarHBondContact O-N 3Å; K1332-Q1335 PolarHBondContact O-N 3.39Å; K1332-E1336 WeakPolarHBondContact O-CG 3.34Å; K1332-E1336 PolarHBondContact O-N 3.17Å
1333T74.4Confident70.1Confident100 Ų10073.4 Ų73.461%0.61339%0.394SS*.Hα-helixtrans-62.6-40.4177.2-52.80000111.2D1329 E1330 G1337D1329-T1333 WeakPolarHBondContact O-CB 3.23Å; D1329-T1333 PolarHBondContact O-N 3.43Å; D1329-T1333 PolarHBondContact O-OG1 2.88Å; E1330-T1333 PolarHBondContact O-N 2.96Å; T1333-G1337 PolarHBondContact O-N 2.67Å
1334L68.5Low69.9Low51 Ų5179.1 Ų79.127%0.26742%0.417SS..Hα-helixtrans-61.4-53.3170.9-73166000110.7V1272 E1330 I1331 K1332 E1336 G1337 W1338V1272-L1334 HydrophobicContact CG2-CD1 4.14Å; E1330-L1334 WeakPolarHBondContact O-CG 3.1Å; E1330-L1334 PolarHBondContact O-N 3.36Å; E1330-L1334 VanDerWaalsContact O-N 3.09Å; I1331-L1334 PolarHBondContact O-N 3.42Å; K1332-L1334 VanDerWaalsContact C-N 3.32Å; K1332-L1334 PolarHBondContact O-N 3Å; L1334-E1336 VanDerWaalsContact C-N 3.32Å; L1334-E1336 PolarHBondContact O-N 3.07Å; L1334-G1337 PolarHBondContact O-N 2.88Å; L1334-W1338 WeakPolarHBondContact O-CB 3.17Å; L1334-W1338 PolarHBondContact O-N 3.43Å
1335Q65.2Low69.6Low88 Ų8879.4 Ų79.441%0.41142%0.415SS..Hα-helixtrans-56.4-40.5180-76179.5-3500113.3I1331 K1332 W1338 N1339I1331-Q1335 HydrophobicContact CG2-CG 4.43Å; I1331-Q1335 WeakPolarHBondContact O-CB 3.15Å; I1331-Q1335 WeakPolarHBondContact O-CG 3.42Å; I1331-Q1335 PolarHBondContact O-N 3.16Å; K1332-Q1335 PolarHBondContact O-N 3.39Å; Q1335-W1338 PolarHBondContact O-N 3.33Å; Q1335-N1339 WeakPolarHBondContact O-CB 3.39Å; Q1335-N1339 PolarHBondContact O-N 2.93Å; Q1335-N1339 PolarHBondContact O-ND2 3.01Å
1336E72.1Confident69Low116 Ų11677.7 Ų77.754%0.54241%0.408SS..Hα-helixtrans-66.5-42.6179.6-73.1173.7-167.100112.4K1332 L1334 S1340K1332-E1336 WeakPolarHBondContact O-CG 3.34Å; K1332-E1336 PolarHBondContact O-N 3.17Å; L1334-E1336 VanDerWaalsContact C-N 3.32Å; L1334-E1336 PolarHBondContact O-N 3.07Å; E1336-S1340 PolarHBondContact O-N 2.83Å
1337G70.2Confident68.8Low44 Ų4479.2 Ų79.245%0.45441%0.41SS..Hα-helixtrans-67.4-34.7173.700000113.6T1333 L1334 S1341T1333-G1337 PolarHBondContact O-N 2.67Å; L1334-G1337 PolarHBondContact O-N 2.88Å; G1337-S1341 PolarHBondContact O-N 2.8Å; G1337-S1341 PolarHBondContact O-OG 2.84Å; G1337-S1341 VanDerWaalsContact O-OG 3.12Å
1338W65.6Low68.6Low40 Ų4083.6 Ų83.615%0.15243%0.429CS..Hα-helixtrans-69.1-48176.7-9081.3000112.6F1261 E1264 M1265 L1334 Q1335 S1340 S1341 Y1342F1261-W1338 HydrophobicContact CB-CZ3 4.03Å; F1261-W1338 AromaticContact CD1-CE3 3.57Å; F1261-W1338 HydrophobicContact CD1-CE3 3.57Å; F1261-W1338 HydrophobicContact CD1-CH2 4.13Å; F1261-W1338 AromaticContact CD1-CZ3 3.17Å; F1261-W1338 HydrophobicContact CD1-CZ3 3.17Å; F1261-W1338 HydrophobicContact CD2-CE3 4.44Å; F1261-W1338 AromaticContact CD2-CH2 3.6Å; F1261-W1338 HydrophobicContact CD2-CH2 3.6Å; F1261-W1338 AromaticContact CD2-CZ3 3.52Å; F1261-W1338 HydrophobicContact CD2-CZ3 3.52Å; F1261-W1338 HydrophobicContact CE1-CD2 4.12Å; F1261-W1338 AromaticContact CE1-CE3 3.26Å; F1261-W1338 HydrophobicContact CE1-CE3 3.26Å; F1261-W1338 HydrophobicContact CE1-CH2 4.17Å; F1261-W1338 AromaticContact CE1-CZ3 3.28Å; F1261-W1338 HydrophobicContact CE1-CZ3 3.28Å; F1261-W1338 HydrophobicContact CE2-CE3 4.2Å; F1261-W1338 AromaticContact CE2-CH2 3.66Å; F1261-W1338 HydrophobicContact CE2-CH2 3.66Å; F1261-W1338 HydrophobicContact CE2-CZ2 4.28Å; F1261-W1338 AromaticContact CE2-CZ3 3.63Å; F1261-W1338 HydrophobicContact CE2-CZ3 3.63Å; F1261-W1338 HydrophobicContact CG-CE3 4.13Å; F1261-W1338 AromaticContact CG-CH2 3.82Å; F1261-W1338 HydrophobicContact CG-CH2 3.82Å; F1261-W1338 AromaticContact CG-CZ3 3.27Å; F1261-W1338 HydrophobicContact CG-CZ3 3.27Å; F1261-W1338 HydrophobicContact CZ-CD2 4.1Å; F1261-W1338 AromaticContact CZ-CE3 3.6Å; F1261-W1338 HydrophobicContact CZ-CE3 3.6Å; F1261-W1338 AromaticContact CZ-CH2 3.93Å; F1261-W1338 HydrophobicContact CZ-CH2 3.93Å; F1261-W1338 HydrophobicContact CZ-CZ2 4.44Å; F1261-W1338 AromaticContact CZ-CZ3 3.5Å; F1261-W1338 HydrophobicContact CZ-CZ3 3.5Å; F1261-W1338 VanDerWaalsContact CZ-CZ3 3.5Å; F1261-W1338 WeakPolarHBondContact O-CH2 3.32Å; F1261-W1338 WeakPolarHBondContact O-CZ3 3.47Å; E1264-W1338 HydrophobicContact CB-CH2 3.98Å; E1264-W1338 HydrophobicContact CB-CZ2 4.43Å; M1265-W1338 HydrophobicContact CB-CD2 3.99Å; M1265-W1338 HydrophobicContact CB-CE3 3.57Å; M1265-W1338 HydrophobicContact CB-CH2 3.79Å; M1265-W1338 HydrophobicContact CB-CZ2 4.15Å; M1265-W1338 HydrophobicContact CB-CZ3 3.47Å; M1265-W1338 VanDerWaalsContact CB-CZ3 3.47Å; M1265-W1338 HydrophobicContact CG-CD2 3.73Å; M1265-W1338 HydrophobicContact CG-CE3 3.64Å; M1265-W1338 HydrophobicContact CG-CG 4.22Å; M1265-W1338 HydrophobicContact CG-CZ3 4.1Å; M1265-W1338 HydrophobicContact SD-CB 4.21Å; M1265-W1338 HydrophobicContact SD-CD2 4.05Å; M1265-W1338 HydrophobicContact SD-CE3 3.71Å; M1265-W1338 HydrophobicContact SD-CG 4.28Å; M1265-W1338 HydrophobicContact SD-CZ3 4.48Å; L1334-W1338 WeakPolarHBondContact O-CB 3.17Å; L1334-W1338 PolarHBondContact O-N 3.43Å; Q1335-W1338 PolarHBondContact O-N 3.33Å; W1338-S1340 VanDerWaalsContact C-N 3.34Å; W1338-S1340 PolarHBondContact O-N 2.79Å; W1338-S1341 WeakPolarHBondContact O-CB 3.31Å; W1338-S1341 PolarHBondContact O-N 3.22Å; W1338-S1341 VanDerWaalsContact O-N 3.09Å; W1338-Y1342 WeakPolarHBondContact O-CB 3.36Å; W1338-Y1342 PolarHBondContact O-N 2.88Å
1339N66Low68Low87 Ų8778.5 Ų78.547%0.46540%0.403SS..Hα-helixtrans-57.4-44.9177.8-71.5-21.6000111.9Q1335 S1341 Y1342 D1343Q1335-N1339 WeakPolarHBondContact O-CB 3.39Å; Q1335-N1339 PolarHBondContact O-N 2.93Å; Q1335-N1339 PolarHBondContact O-ND2 3.01Å; N1339-S1341 PolarHBondContact O-N 3.04Å; N1339-Y1342 PolarHBondContact O-N 3.23Å; N1339-Y1342 VanDerWaalsContact O-N 3.17Å; N1339-D1343 PolarHBondContact O-N 3.44Å
1340S72.3Confident67.6Low75 Ų7578 Ų7852%0.52440%0.403SS..Hα-helixtrans-58.1-32.9177.1-176.80000113.5E1336 W1338E1336-S1340 PolarHBondContact O-N 2.83Å; W1338-S1340 VanDerWaalsContact C-N 3.34Å; W1338-S1340 PolarHBondContact O-N 2.79Å
1341S63Low67.5Low48 Ų4878 Ų7834%0.33641%0.408SS..Hα-helixtrans-81.4-40.4176.8-56.90000111.7F1261 G1337 W1338 N1339 K1344 L1345F1261-S1341 VanDerWaalsContact CZ-CB 3.45Å; G1337-S1341 PolarHBondContact O-N 2.8Å; G1337-S1341 PolarHBondContact O-OG 2.84Å; G1337-S1341 VanDerWaalsContact O-OG 3.12Å; W1338-S1341 WeakPolarHBondContact O-CB 3.31Å; W1338-S1341 PolarHBondContact O-N 3.22Å; W1338-S1341 VanDerWaalsContact O-N 3.09Å; N1339-S1341 PolarHBondContact O-N 3.04Å; S1341-K1344 PolarHBondContact O-N 2.9Å; S1341-L1345 WeakPolarHBondContact O-CD1 3.38Å; S1341-L1345 PolarHBondContact O-N 3.36Å
1342Y65.1Low67Low74 Ų7478.1 Ų78.129%0.2941%0.409SS..Hα-helixtrans-61.2-48.8177.4-171.8-99.4000112L1258 E1262 W1338 N1339 K1344 L1345 K1346L1258-Y1342 HydrophobicContact CD2-CD2 3.91Å; L1258-Y1342 HydrophobicContact CD2-CE2 3.96Å; E1262-Y1342 HydrophobicContact CG-CE2 3.95Å; E1262-Y1342 VanDerWaalsContact OE1-CE2 3.22Å; E1262-Y1342 WeakPolarHBondContact OE1-CE2 3.25Å; E1262-Y1342 PolarHBondContact OE1-OH 2.72Å; W1338-Y1342 WeakPolarHBondContact O-CB 3.36Å; W1338-Y1342 PolarHBondContact O-N 2.88Å; N1339-Y1342 PolarHBondContact O-N 3.23Å; N1339-Y1342 VanDerWaalsContact O-N 3.17Å; Y1342-K1344 PolarHBondContact O-N 2.86Å; Y1342-L1345 PolarHBondContact O-N 2.97Å; Y1342-K1346 HydrophobicContact CD1-CD 4.22Å; Y1342-K1346 HydrophobicContact CE1-CD 3.96Å; Y1342-K1346 VanDerWaalsContact O-CB 3.23Å; Y1342-K1346 WeakPolarHBondContact O-CB 3.49Å; Y1342-K1346 PolarHBondContact O-N 3.48Å
1343D69.1Low66.5Low76 Ų7674.7 Ų74.741%0.40640%0.398SS..Hα-helixtrans-62.5-29.7-179.2-78.2-31.3000112.7N1339 N1347N1339-D1343 PolarHBondContact O-N 3.44Å; D1343-N1347 WeakPolarHBondContact O-CB 2.85Å; D1343-N1347 VanDerWaalsContact O-CG 3.24Å; D1343-N1347 PolarHBondContact O-N 2.89Å; D1343-N1347 PolarHBondContact O-ND2 3.35Å; D1343-N1347 VanDerWaalsContact O-ND2 3.15Å
1344K71.5Confident66.2Low160 Ų16076.3 Ų76.370%0.69640%0.398SS*.Hα-helixtrans-66.4-48.6172.8-78.5-177.7176.41760112.7S1341 Y1342 K1348S1341-K1344 PolarHBondContact O-N 2.9Å; Y1342-K1344 PolarHBondContact O-N 2.86Å; K1344-K1348 PolarHBondContact O-N 2.75Å
1345L61.9Low65.9Low43 Ų4379.4 Ų79.423%0.22541%0.411CS..Hα-helixtrans-68.4-38.1176.7-84.293.5000111.7R1257 L1258 S1341 Y1342 K1348 C1349R1257-L1345 HydrophobicContact CB-CD2 3.97Å; L1258-L1345 HydrophobicContact CD1-CB 4.34Å; L1258-L1345 HydrophobicContact CD2-CB 3.61Å; L1258-L1345 HydrophobicContact CD2-CD2 4.31Å; L1258-L1345 HydrophobicContact CG-CB 3.88Å; L1258-L1345 HydrophobicContact CG-CD2 4.02Å; S1341-L1345 WeakPolarHBondContact O-CD1 3.38Å; S1341-L1345 PolarHBondContact O-N 3.36Å; Y1342-L1345 PolarHBondContact O-N 2.97Å; L1345-K1348 WeakPolarHBondContact O-CB 3.49Å; L1345-K1348 PolarHBondContact O-N 3.08Å; L1345-C1349 PolarHBondContact O-N 3.18Å; L1345-C1349 PolarHBondContact O-SG 2.99Å; L1345-C1349 VanDerWaalsContact O-SG 3.36Å
1346K64.4Low65.4Low100 Ų10080 Ų8044%0.43541%0.41SS..Hα-helixtrans-59.4-50.5177.4-176.8-178.6179.5-177.10111.8Y1342 K1348 C1349 V1350Y1342-K1346 HydrophobicContact CD1-CD 4.22Å; Y1342-K1346 HydrophobicContact CE1-CD 3.96Å; Y1342-K1346 VanDerWaalsContact O-CB 3.23Å; Y1342-K1346 WeakPolarHBondContact O-CB 3.49Å; Y1342-K1346 PolarHBondContact O-N 3.48Å; K1346-K1348 VanDerWaalsContact C-N 3.27Å; K1346-K1348 PolarHBondContact O-N 2.98Å; K1346-C1349 PolarHBondContact O-N 3.35Å; K1346-C1349 VanDerWaalsContact O-N 3.13Å; K1346-V1350 WeakPolarHBondContact O-CG2 3.37Å; K1346-V1350 PolarHBondContact O-N 2.8Å
1347N71.2Confident64.8Low104 Ų10478 Ų7856%0.55640%0.403SS*.Hα-helixtrans-59.8-38.2176.3-74.7-27.7000112D1343 V1350 V1351D1343-N1347 WeakPolarHBondContact O-CB 2.85Å; D1343-N1347 VanDerWaalsContact O-CG 3.24Å; D1343-N1347 PolarHBondContact O-N 2.89Å; D1343-N1347 PolarHBondContact O-ND2 3.35Å; D1343-N1347 VanDerWaalsContact O-ND2 3.15Å; N1347-V1350 PolarHBondContact O-N 3.42Å; N1347-V1351 PolarHBondContact O-N 3.34Å
1348K66.4Low64.6Low112 Ų11281.1 Ų81.149%0.48741%0.408SS..Hα-helixtrans-65-39175.7-161.5-179.8179.5-170.20112.3E1254 K1344 L1345 K1346 L1352E1254-K1348 WeakPolarHBondContact OE1-CD 3.42Å; E1254-K1348 WeakPolarHBondContact OE1-CE 3.3Å; E1254-K1348 IonicContact OE1-NZ 3.56Å; E1254-K1348 PolarHBondContact OE1-NZ 2.87Å; K1344-K1348 PolarHBondContact O-N 2.75Å; L1345-K1348 WeakPolarHBondContact O-CB 3.49Å; L1345-K1348 PolarHBondContact O-N 3.08Å; K1346-K1348 VanDerWaalsContact C-N 3.27Å; K1346-K1348 PolarHBondContact O-N 2.98Å; K1348-L1352 PolarHBondContact O-N 3.43Å
1349C56.8Low63.8Low12 Ų1281.5 Ų81.58%0.08142%0.42CS..Hα-helixtrans-71.3-28.9174.6-67.50000113.4L1258 L1345 K1346 T1353L1258-C1349 HydrophobicContact CD1-CB 4.4Å; L1258-C1349 VanDerWaalsContact CD1-SG 3.54Å; L1345-C1349 PolarHBondContact O-N 3.18Å; L1345-C1349 PolarHBondContact O-SG 2.99Å; L1345-C1349 VanDerWaalsContact O-SG 3.36Å; K1346-C1349 PolarHBondContact O-N 3.35Å; K1346-C1349 VanDerWaalsContact O-N 3.13Å; C1349-T1353 WeakPolarHBondContact O-CB 3.47Å; C1349-T1353 PolarHBondContact O-N 2.95Å; C1349-T1353 PolarHBondContact O-OG1 3.45Å
1350V65.9Low63.1Low72 Ų7285.1 Ų85.144%0.43643%0.427SS..Hα-helixtrans-63.9-50.2174.61690000110.6K1346 N1347 L1352 T1353 E1354K1346-V1350 WeakPolarHBondContact O-CG2 3.37Å; K1346-V1350 PolarHBondContact O-N 2.8Å; N1347-V1350 PolarHBondContact O-N 3.42Å; V1350-L1352 PolarHBondContact O-N 3.16Å; V1350-T1353 CarbonylContact O-C 3.46Å; V1350-T1353 WeakPolarHBondContact O-CA 3.46Å; V1350-T1353 WeakPolarHBondContact O-CB 3.46Å; V1350-T1353 PolarHBondContact O-N 3.33Å; V1350-E1354 PolarHBondContact O-N 3.31Å
1351V69.6Low62.6Low78 Ų7887.9 Ų87.947%0.47343%0.43SS..Hα-helixtrans-56.2-53.5179.1176.30000111.3N1347 T1353 E1354 E1355N1347-V1351 PolarHBondContact O-N 3.34Å; V1351-T1353 PolarHBondContact O-N 3Å; V1351-E1354 PolarHBondContact O-N 2.94Å; V1351-E1355 PolarHBondContact O-N 3.34Å; V1351-E1355 VanDerWaalsContact O-N 3.08Å
1352L57.9Low62.2Low48 Ų4890.3 Ų90.325%0.25144%0.439SS..Hα-helixtrans-61.1-27.3177.7-66168.2000112.7L1251 K1348 V1350 R1356L1251-L1352 HydrophobicContact CD1-CB 3.85Å; L1251-L1352 HydrophobicContact CG-CB 3.91Å; L1251-L1352 HydrophobicContact CG-CD1 4.24Å; K1348-L1352 PolarHBondContact O-N 3.43Å; V1350-L1352 PolarHBondContact O-N 3.16Å; L1352-R1356 VanDerWaalsContact O-CB 3.25Å; L1352-R1356 WeakPolarHBondContact O-CB 3.48Å; L1352-R1356 PolarHBondContact O-N 3.16Å; L1352-R1356 VanDerWaalsContact O-N 3.17Å
1353T59.5Low61.4Low41 Ų4191.5 Ų91.525%0.25245%0.45SS..Hα-helixtrans-75.2-37.3174.9-65.50000112.1C1349 V1350 V1351 N1357C1349-T1353 WeakPolarHBondContact O-CB 3.47Å; C1349-T1353 PolarHBondContact O-N 2.95Å; C1349-T1353 PolarHBondContact O-OG1 3.45Å; V1350-T1353 CarbonylContact O-C 3.46Å; V1350-T1353 WeakPolarHBondContact O-CA 3.46Å; V1350-T1353 WeakPolarHBondContact O-CB 3.46Å; V1350-T1353 PolarHBondContact O-N 3.33Å; V1351-T1353 PolarHBondContact O-N 3Å; T1353-N1357 VanDerWaalsContact O-CB 3.26Å; T1353-N1357 WeakPolarHBondContact O-CB 3.2Å; T1353-N1357 PolarHBondContact O-N 2.96Å; T1353-N1357 PolarHBondContact O-ND2 3.37Å; T1353-N1357 PolarHBondContact O-OD1 3.46Å
1354E67.7Low60.4Low133 Ų13396.2 Ų96.262%0.62146%0.462SS*.Hα-helixtrans-66.3-45.2175.3-69.3-170.6144.500111.5V1350 V1351 N1357 L1358V1350-E1354 PolarHBondContact O-N 3.31Å; V1351-E1354 PolarHBondContact O-N 2.94Å; E1354-N1357 PolarHBondContact O-N 2.78Å; E1354-N1357 VanDerWaalsContact O-N 3.15Å; E1354-L1358 PolarHBondContact O-N 3.07Å
1355E62.1Low59.7Low116 Ų11694.8 Ų94.854%0.54246%0.458SS..Hα-helixtrans-59-48.8175.7-67.9171.2143.600111.4V1351 N1357 L1358 A1359V1351-E1355 PolarHBondContact O-N 3.34Å; V1351-E1355 VanDerWaalsContact O-N 3.08Å; E1355-N1357 VanDerWaalsContact C-N 3.31Å; E1355-N1357 PolarHBondContact O-N 3.06Å; E1355-L1358 PolarHBondContact O-N 2.91Å; E1355-A1359 PolarHBondContact O-N 3.36Å
1356R55.7Low59Low102 Ų10296.8 Ų96.839%0.38547%0.469SS..Hα-helixtrans-59.8-37.6174.1-173.5-154.570-175.5-0.3112.8L1352 R1360L1352-R1356 VanDerWaalsContact O-CB 3.25Å; L1352-R1356 WeakPolarHBondContact O-CB 3.48Å; L1352-R1356 PolarHBondContact O-N 3.16Å; L1352-R1356 VanDerWaalsContact O-N 3.17Å; R1356-R1360 PolarHBondContact O-N 3.17Å
1357N59.2Low58Low74 Ų7496.9 Ų96.940%0.39647%0.47SS..Hα-helixtrans-72.8-35.2179.1-70.7-12.5000111.7T1353 E1354 E1355 R1360 K1361T1353-N1357 VanDerWaalsContact O-CB 3.26Å; T1353-N1357 WeakPolarHBondContact O-CB 3.2Å; T1353-N1357 PolarHBondContact O-N 2.96Å; T1353-N1357 PolarHBondContact O-ND2 3.37Å; T1353-N1357 PolarHBondContact O-OD1 3.46Å; E1354-N1357 PolarHBondContact O-N 2.78Å; E1354-N1357 VanDerWaalsContact O-N 3.15Å; E1355-N1357 VanDerWaalsContact C-N 3.31Å; E1355-N1357 PolarHBondContact O-N 3.06Å; N1357-R1360 PolarHBondContact O-N 3.38Å; N1357-K1361 PolarHBondContact O-N 2.89Å
1358L66.1Low57.2Low108 Ų10898.6 Ų98.657%0.56547%0.473SS*.Hα-helixtrans-64.3-46.4172.4-177.762.3000111.1E1354 E1355 R1360 K1361 N1362E1354-L1358 PolarHBondContact O-N 3.07Å; E1355-L1358 PolarHBondContact O-N 2.91Å; L1358-R1360 PolarHBondContact O-N 3.46Å; L1358-K1361 WeakPolarHBondContact O-CB 3.33Å; L1358-K1361 PolarHBondContact O-N 2.84Å; L1358-K1361 VanDerWaalsContact O-N 3.13Å; L1358-N1362 PolarHBondContact O-N 3.13Å; L1358-N1362 PolarHBondContact O-OD1 2.93Å
1359A49.4Very low56.5Low49 Ų4995 Ų9541%0.40547%0.468SS..Hα-helixtrans-58-45.8174.400000112.1E1355 K1361 N1362 L1363E1355-A1359 PolarHBondContact O-N 3.36Å; A1359-K1361 VanDerWaalsContact C-N 3.32Å; A1359-K1361 PolarHBondContact O-N 3.05Å; A1359-N1362 PolarHBondContact O-N 2.81Å; A1359-L1363 PolarHBondContact O-N 3.47Å
1360R49.7Very low55.9Low162 Ų16297.6 Ų97.661%0.61148%0.48SS*.Hα-helixtrans-62.2-33.4174.4-86.2-177160.8-170.4-6.4113.9R1356 N1357 L1358 R1364R1356-R1360 PolarHBondContact O-N 3.17Å; N1357-R1360 PolarHBondContact O-N 3.38Å; L1358-R1360 PolarHBondContact O-N 3.46Å; R1360-R1364 PolarHBondContact O-N 2.91Å
1361K62Low54.9Low133 Ų13399.4 Ų99.458%0.57848%0.484SS*.Hα-helixtrans-66.4-46.3175.2-172.6-173.2174.4-169.10110.6N1357 L1358 A1359 L1363 R1364 E1365N1357-K1361 PolarHBondContact O-N 2.89Å; L1358-K1361 WeakPolarHBondContact O-CB 3.33Å; L1358-K1361 PolarHBondContact O-N 2.84Å; L1358-K1361 VanDerWaalsContact O-N 3.13Å; A1359-K1361 VanDerWaalsContact C-N 3.32Å; A1359-K1361 PolarHBondContact O-N 3.05Å; K1361-L1363 VanDerWaalsContact C-N 3.29Å; K1361-L1363 PolarHBondContact O-N 3.35Å; K1361-R1364 PolarHBondContact O-N 2.81Å; K1361-E1365 PolarHBondContact O-N 2.69Å
1362N55.6Low54.2Low99 Ų9998.6 Ų98.653%0.52949%0.486SS..Hα-helixtrans-61.9-38.2179-63.4-7.6000111.6L1358 A1359 E1365 L1366L1358-N1362 PolarHBondContact O-N 3.13Å; L1358-N1362 PolarHBondContact O-OD1 2.93Å; A1359-N1362 PolarHBondContact O-N 2.81Å; N1362-E1365 PolarHBondContact O-N 2.72Å; N1362-L1366 PolarHBondContact O-N 2.81Å
1363L47.3Very low53.6Low100 Ų100104.7 Ų104.752%0.52451%0.505SS..Hα-helixtrans-61.2-44.4175.7-154.478.9000112.2A1359 K1361 E1365 L1366 E1367A1359-L1363 PolarHBondContact O-N 3.47Å; K1361-L1363 VanDerWaalsContact C-N 3.29Å; K1361-L1363 PolarHBondContact O-N 3.35Å; L1363-E1365 PolarHBondContact O-N 2.76Å; L1363-L1366 WeakPolarHBondContact O-CA 3.47Å; L1363-L1366 WeakPolarHBondContact O-CB 3.37Å; L1363-L1366 PolarHBondContact O-N 2.72Å; L1363-L1366 VanDerWaalsContact O-N 3.08Å; L1363-E1367 WeakPolarHBondContact O-CG 3.34Å; L1363-E1367 PolarHBondContact O-N 2.93Å
1364R48.4Very low52.8Low175 Ų175107 Ų10766%0.6651%0.513SS*.Hα-helixtrans-68.7-30.1180-75.8178.9171.3-166.8-4.2114.7R1360 K1361 L1366 E1367 K1368R1360-R1364 PolarHBondContact O-N 2.91Å; K1361-R1364 PolarHBondContact O-N 2.81Å; R1364-L1366 VanDerWaalsContact C-N 3.3Å; R1364-E1367 WeakPolarHBondContact CA-OE2 3.41Å; R1364-E1367 WeakPolarHBondContact CG-OE2 3.49Å; R1364-K1368 PolarHBondContact O-N 2.85Å
1365E57.3Low51.9Low130 Ų130107.8 Ų107.861%0.60752%0.517SS*.Hα-helixtrans-67.8-35.2170.6-65.8-77.2126.600110.4K1361 N1362 L1363 G1369K1361-E1365 PolarHBondContact O-N 2.69Å; N1362-E1365 PolarHBondContact O-N 2.72Å; L1363-E1365 PolarHBondContact O-N 2.76Å; E1365-G1369 PolarHBondContact O-N 3.34Å
1366L46.5Very low51.4Low85 Ų85105.1 Ų105.145%0.44551%0.514SS..Hα-helixtrans-67.6-47.9175-145.781.8000112N1362 L1363 R1364 K1368 G1369 L1370N1362-L1366 PolarHBondContact O-N 2.81Å; L1363-L1366 WeakPolarHBondContact O-CA 3.47Å; L1363-L1366 WeakPolarHBondContact O-CB 3.37Å; L1363-L1366 PolarHBondContact O-N 2.72Å; L1363-L1366 VanDerWaalsContact O-N 3.08Å; R1364-L1366 VanDerWaalsContact C-N 3.3Å; L1366-K1368 VanDerWaalsContact C-N 3.34Å; L1366-K1368 PolarHBondContact O-N 3.03Å; L1366-G1369 WeakPolarHBondContact O-CA 3.08Å; L1366-G1369 PolarHBondContact O-N 3.39Å; L1366-L1370 PolarHBondContact O-N 3.3Å
1367E44.2Very low50.9Low101 Ų101106.9 Ų106.947%0.47253%0.529SS..Hα-helixtrans-54.6-46.8178.1-71.6169.2148.100111.6L1363 R1364 G1369 L1370 E1371L1363-E1367 WeakPolarHBondContact O-CG 3.34Å; L1363-E1367 PolarHBondContact O-N 2.93Å; R1364-E1367 WeakPolarHBondContact CA-OE2 3.41Å; R1364-E1367 WeakPolarHBondContact CG-OE2 3.49Å; E1367-G1369 VanDerWaalsContact C-N 3.32Å; E1367-G1369 PolarHBondContact O-N 2.98Å; E1367-L1370 WeakPolarHBondContact O-CB 3.47Å; E1367-L1370 PolarHBondContact O-N 3.17Å; E1367-L1370 VanDerWaalsContact O-N 3.08Å; E1367-E1371 PolarHBondContact O-N 3.43Å
1368K53.6Low50.1Low141 Ų141109.4 Ų109.461%0.61353%0.534SS*.Hα-helixtrans-64.1-33.9175.8-75.3-176.1171.7-172.10114R1364 L1366 L1370 A1372R1364-K1368 PolarHBondContact O-N 2.85Å; L1366-K1368 VanDerWaalsContact C-N 3.34Å; L1366-K1368 PolarHBondContact O-N 3.03Å; K1368-L1370 VanDerWaalsContact C-N 3.26Å; K1368-A1372 PolarHBondContact O-N 2.89Å
1369G52.4Low49.4Very low36 Ų36108 Ų10837%0.37153%0.533SS..Hα-helixtrans-69.1-25.3174.200000113.1E1365 L1366 E1367 R1373E1365-G1369 PolarHBondContact O-N 3.34Å; L1366-G1369 WeakPolarHBondContact O-CA 3.08Å; L1366-G1369 PolarHBondContact O-N 3.39Å; E1367-G1369 VanDerWaalsContact C-N 3.32Å; E1367-G1369 PolarHBondContact O-N 2.98Å; G1369-R1373 WeakPolarHBondContact O-CD 3.4Å; G1369-R1373 WeakPolarHBondContact O-CG 3.34Å
1370L43Very low49.4Very low66 Ų66108.1 Ų108.135%0.34653%0.534SS..Hα-helixtrans-78.7-50.2174.4-91.4152.3000111.8E1092 L1366 E1367 K1368 A1372 R1373 Q1374E1092-L1370 WeakPolarHBondContact OE1-CD2 3.48Å; L1366-L1370 PolarHBondContact O-N 3.3Å; E1367-L1370 WeakPolarHBondContact O-CB 3.47Å; E1367-L1370 PolarHBondContact O-N 3.17Å; E1367-L1370 VanDerWaalsContact O-N 3.08Å; K1368-L1370 VanDerWaalsContact C-N 3.26Å; L1370-A1372 PolarHBondContact O-N 3.31Å; L1370-R1373 PolarHBondContact O-N 2.99Å; L1370-Q1374 PolarHBondContact O-N 2.96Å
1371E45.8Very low49.2Very low111 Ų111105.2 Ų105.252%0.51953%0.53SS..Hα-helixtrans-52.2-51.7178.2-70.3179.4136.600111.8E1367 R1373 Q1374 E1375E1367-E1371 PolarHBondContact O-N 3.43Å; E1371-R1373 PolarHBondContact O-N 3.43Å; E1371-Q1374 WeakPolarHBondContact O-CB 3.49Å; E1371-Q1374 PolarHBondContact O-N 3.08Å; E1371-E1375 PolarHBondContact O-N 3.5Å
1372A54.4Low48.4Very low61 Ų61102.8 Ų102.850%0.50452%0.519SS..Hα-helixtrans-63.9-25.9-179.300000113.9K1368 L1370K1368-A1372 PolarHBondContact O-N 2.89Å; L1370-A1372 PolarHBondContact O-N 3.31Å
1373R45.8Very low48.5Very low175 Ų175104.9 Ų104.966%0.6653%0.526SS*.Hα-helixtrans-81.7-33.3173.2-77.6176.2168.6169-3.5111.9G1369 L1370 E1371 A1376 M1377G1369-R1373 WeakPolarHBondContact O-CD 3.4Å; G1369-R1373 WeakPolarHBondContact O-CG 3.34Å; L1370-R1373 PolarHBondContact O-N 2.99Å; E1371-R1373 PolarHBondContact O-N 3.43Å; R1373-A1376 PolarHBondContact O-N 3.05Å; R1373-M1377 PolarHBondContact O-N 2.87Å
1374Q43.6Very low48.5Very low91 Ų91106.6 Ų106.643%0.42553%0.526SS..Hα-helixtrans-67.2-43.2178.1-160.1173.127.500111.2L1370 E1371 M1377 Y1378L1370-Q1374 PolarHBondContact O-N 2.96Å; E1371-Q1374 WeakPolarHBondContact O-CB 3.49Å; E1371-Q1374 PolarHBondContact O-N 3.08Å; Q1374-M1377 PolarHBondContact O-N 3.14Å; Q1374-Y1378 WeakPolarHBondContact O-CB 3.35Å; Q1374-Y1378 PolarHBondContact O-N 2.99Å
1375E47.2Very low48.4Very low148 Ų148101.3 Ų101.369%0.69251%0.51SS*.Hα-helixtrans-59-47.2172.4-70.9-167.2130.700112.4E1371 M1377 Y1378 S1379E1371-E1375 PolarHBondContact O-N 3.5Å; E1375-M1377 VanDerWaalsContact C-N 3.33Å; E1375-M1377 PolarHBondContact O-N 3.14Å; E1375-Y1378 PolarHBondContact O-N 3.09Å; E1375-S1379 PolarHBondContact O-N 3.45Å
1376A52.3Low47.9Very low60 Ų6096.7 Ų96.750%0.49649%0.492SS..Hα-helixtrans-60.3-42.2179.600000112.2R1373 A1380R1373-A1376 PolarHBondContact O-N 3.05Å; A1376-A1380 PolarHBondContact O-N 2.85Å
1377M44.3Very low48.5Very low139 Ų13996.7 Ų96.769%0.68550%0.496SS*.Hα-helixtrans-67.8-37.7176.3-167.6177.373.400112.1R1373 Q1374 E1375 L1381R1373-M1377 PolarHBondContact O-N 2.87Å; Q1374-M1377 PolarHBondContact O-N 3.14Å; E1375-M1377 VanDerWaalsContact C-N 3.33Å; E1375-M1377 PolarHBondContact O-N 3.14Å; M1377-L1381 WeakPolarHBondContact O-CB 3.43Å; M1377-L1381 PolarHBondContact O-N 3.46Å; M1377-L1381 VanDerWaalsContact O-N 3.07Å
1378Y43.9Very low48.6Very low127 Ų12795.7 Ų95.750%0.49849%0.49SS..Hα-helixtrans-65.6-40.4177.7-153.4-85.6000112Q1374 E1375 L1381 K1382 T1435Q1374-Y1378 WeakPolarHBondContact O-CB 3.35Å; Q1374-Y1378 PolarHBondContact O-N 2.99Å; E1375-Y1378 PolarHBondContact O-N 3.09Å; Y1378-L1381 PolarHBondContact O-N 3.04Å; Y1378-K1382 PolarHBondContact O-N 3.2Å; Y1378-T1435 WeakPolarHBondContact OH-CG2 3.31Å
1379S50.4Low48.3Very low80 Ų8092 Ų9256%0.55947%0.472SS*.Hα-helixtrans-62.9-48.6176.6-164.70000112E1375 L1381 K1382 E1383E1375-S1379 PolarHBondContact O-N 3.45Å; S1379-L1381 VanDerWaalsContact C-N 3.26Å; S1379-L1381 PolarHBondContact O-N 3.06Å; S1379-K1382 WeakPolarHBondContact O-CB 3.24Å; S1379-K1382 PolarHBondContact O-N 3.22Å; S1379-K1382 VanDerWaalsContact O-N 3.14Å; S1379-E1383 PolarHBondContact O-N 2.61Å; S1379-E1383 VanDerWaalsContact O-N 3.14Å
1380A50.3Low48.2Very low51 Ų5198.6 Ų98.642%0.42149%0.487SS..Hα-helixtrans-63.2-29.8176.500000113.3A1376 R1384A1376-A1380 PolarHBondContact O-N 2.85Å; A1380-R1384 PolarHBondContact O-N 3.01Å
1381L44.6Very low48.6Very low101 Ų101100.6 Ų100.653%0.52950%0.495SS..Hα-helixtrans-72.1-39.1174.1-161.775.7000111.9M1377 Y1378 S1379 R1384 L1385M1377-L1381 WeakPolarHBondContact O-CB 3.43Å; M1377-L1381 PolarHBondContact O-N 3.46Å; M1377-L1381 VanDerWaalsContact O-N 3.07Å; Y1378-L1381 PolarHBondContact O-N 3.04Å; S1379-L1381 VanDerWaalsContact C-N 3.26Å; S1379-L1381 PolarHBondContact O-N 3.06Å; L1381-R1384 PolarHBondContact O-N 3.33Å; L1381-L1385 HydrophobicContact CG-CD1 4.27Å; L1381-L1385 WeakPolarHBondContact O-CG 3.25Å; L1381-L1385 PolarHBondContact O-N 2.97Å; L1381-L1385 VanDerWaalsContact O-N 3.13Å
1382K46.4Very low48.6Very low81 Ų8199.8 Ų99.835%0.35249%0.494SS..Hα-helixtrans-59.8-47.8175.1-160.3-162.2-170.9-141.60110.7Y1378 S1379 L1385 S1386 E1420Y1378-K1382 PolarHBondContact O-N 3.2Å; S1379-K1382 WeakPolarHBondContact O-CB 3.24Å; S1379-K1382 PolarHBondContact O-N 3.22Å; S1379-K1382 VanDerWaalsContact O-N 3.14Å; K1382-L1385 PolarHBondContact O-N 3.5Å; K1382-S1386 PolarHBondContact O-N 3.07Å; K1382-E1420 IonicContact NZ-OE2 3.68Å; K1382-E1420 PolarHBondContact NZ-OE2 3Å
1383E56.1Low48.4Very low143 Ų143100.1 Ų100.167%0.66849%0.486SS*.Hα-helixtrans-64-40.7-179.4-170.3174.7-137.400112.8S1379 L1385 S1386 V1387S1379-E1383 PolarHBondContact O-N 2.61Å; S1379-E1383 VanDerWaalsContact O-N 3.14Å; E1383-L1385 VanDerWaalsContact C-N 3.34Å; E1383-L1385 PolarHBondContact O-N 3.38Å; E1383-S1386 PolarHBondContact O-OG 2.8Å; E1383-V1387 WeakPolarHBondContact O-CG2 3.34Å
1384R48.5Very low48.4Very low136 Ų13695.2 Ų95.251%0.51348%0.478SS..Hα-helixtrans-65.9-32.8174.1-83.6-176.8165.6-165.3-3.9113.3D1054 A1380 L1381D1054-R1384 IonicContact OD1-NH1 3.3Å; D1054-R1384 PolarHBondContact OD1-NH1 2.97Å; A1380-R1384 PolarHBondContact O-N 3.01Å; L1381-R1384 PolarHBondContact O-N 3.33Å
1385L45.8Very low48.4Very low64 Ų6497.2 Ų97.234%0.33549%0.487SS..Hα-helixtrans-75.5-39.1-178.1-80.5166.3000113L1381 K1382 E1383 K1388 Y1389 I1433L1381-L1385 HydrophobicContact CG-CD1 4.27Å; L1381-L1385 WeakPolarHBondContact O-CG 3.25Å; L1381-L1385 PolarHBondContact O-N 2.97Å; L1381-L1385 VanDerWaalsContact O-N 3.13Å; K1382-L1385 PolarHBondContact O-N 3.5Å; E1383-L1385 VanDerWaalsContact C-N 3.34Å; E1383-L1385 PolarHBondContact O-N 3.38Å; L1385-K1388 PolarHBondContact O-N 3.47Å; L1385-Y1389 PolarHBondContact O-N 3.37Å; L1385-I1433 HydrophobicContact CD1-CD1 4.32Å
1386S47.2Very low47.9Very low33 Ų3396.6 Ų96.623%0.23149%0.486CS..Hα-helixtrans-70.1-37.5-17960.30000113K1382 E1383 K1388 Y1389 Y1390 E1420K1382-S1386 PolarHBondContact O-N 3.07Å; E1383-S1386 PolarHBondContact O-OG 2.8Å; S1386-K1388 VanDerWaalsContact C-N 3.33Å; S1386-K1388 PolarHBondContact O-N 2.87Å; S1386-Y1389 PolarHBondContact O-N 3.13Å; S1386-Y1390 PolarHBondContact O-N 3.2Å; S1386-E1420 WeakPolarHBondContact CB-OE1 3.27Å; S1386-E1420 PolarHBondContact OG-OE1 3.27Å
1387V58.5Low47.3Very low86 Ų8697.8 Ų97.852%0.52149%0.491SS..Hα-helixtrans-56.4-47.8170.9173.80000110.9E1383 Y1389 Y1390 E1391E1383-V1387 WeakPolarHBondContact O-CG2 3.34Å; V1387-Y1389 PolarHBondContact O-N 3.18Å; V1387-Y1390 VanDerWaalsContact O-CB 3.25Å; V1387-Y1390 WeakPolarHBondContact O-CB 3.34Å; V1387-Y1390 PolarHBondContact O-N 3.3Å; V1387-Y1390 VanDerWaalsContact O-N 3.12Å; V1387-E1391 PolarHBondContact O-N 3.29Å; V1387-E1391 VanDerWaalsContact O-N 3.11Å
1388K47.5Very low46.9Very low80 Ų8097.5 Ų97.535%0.34849%0.492SS..Hα-helixtrans-74-26.8-174.4-146.9164-162.1177.90113.7L1385 S1386 Y1390 E1391 L1392L1385-K1388 PolarHBondContact O-N 3.47Å; S1386-K1388 VanDerWaalsContact C-N 3.33Å; S1386-K1388 PolarHBondContact O-N 2.87Å; K1388-Y1390 VanDerWaalsContact C-N 3.33Å; K1388-E1391 PolarHBondContact O-N 3.27Å; K1388-L1392 PolarHBondContact O-N 3.25Å; K1388-L1392 VanDerWaalsContact O-N 3.16Å
1389Y47.1Very low46.5Very low62 Ų6298.5 Ų98.524%0.24350%0.501CS..Hα-helixtrans-66.8-35.9168.8-173.4-122.6000111.8L1385 S1386 V1387 L1392 I1393 L1419 F1423L1385-Y1389 PolarHBondContact O-N 3.37Å; S1386-Y1389 PolarHBondContact O-N 3.13Å; V1387-Y1389 PolarHBondContact O-N 3.18Å; Y1389-L1392 PolarHBondContact O-N 2.96Å; Y1389-I1393 HydrophobicContact CD1-CD1 4.07Å; Y1389-I1393 HydrophobicContact CE1-CD1 3.77Å; Y1389-I1393 HydrophobicContact CE2-CD1 4.42Å; Y1389-I1393 WeakPolarHBondContact O-CG1 3.42Å; Y1389-I1393 PolarHBondContact O-N 3.42Å; Y1389-I1393 VanDerWaalsContact O-N 3.17Å; Y1389-L1419 HydrophobicContact CE1-CD2 4Å; Y1389-F1423 HydrophobicContact CD1-CD2 4.39Å; Y1389-F1423 HydrophobicContact CD1-CG 4.25Å; Y1389-F1423 AromaticContact CD2-CD2 3.69Å; Y1389-F1423 HydrophobicContact CD2-CD2 3.69Å; Y1389-F1423 HydrophobicContact CD2-CE1 4.43Å; Y1389-F1423 AromaticContact CD2-CE2 3.49Å; Y1389-F1423 HydrophobicContact CD2-CE2 3.49Å; Y1389-F1423 VanDerWaalsContact CD2-CE2 3.49Å; Y1389-F1423 HydrophobicContact CD2-CG 4.26Å; Y1389-F1423 AromaticContact CD2-CZ 3.89Å; Y1389-F1423 HydrophobicContact CD2-CZ 3.89Å; Y1389-F1423 HydrophobicContact CE1-CB 4.15Å; Y1389-F1423 HydrophobicContact CE1-CD2 4.15Å; Y1389-F1423 HydrophobicContact CE1-CG 4.17Å; Y1389-F1423 AromaticContact CE2-CD2 3.42Å; Y1389-F1423 HydrophobicContact CE2-CD2 3.42Å; Y1389-F1423 VanDerWaalsContact CE2-CD2 3.42Å; Y1389-F1423 AromaticContact CE2-CE2 3.54Å; Y1389-F1423 HydrophobicContact CE2-CE2 3.54Å; Y1389-F1423 HydrophobicContact CE2-CG 4.21Å; Y1389-F1423 HydrophobicContact CE2-CZ 4.39Å; Y1389-F1423 HydrophobicContact CG-CD1 4.4Å; Y1389-F1423 HydrophobicContact CG-CD2 4.18Å; Y1389-F1423 HydrophobicContact CG-CE1 4.41Å; Y1389-F1423 HydrophobicContact CG-CE2 4.2Å; Y1389-F1423 HydrophobicContact CG-CG 4.29Å; Y1389-F1423 HydrophobicContact CG-CZ 4.31Å; Y1389-F1423 AromaticContact CZ-CD2 3.67Å
1390Y49.7Very low45.6Very low175 Ų175103.1 Ų103.169%0.68652%0.519SS*.Hα-helixtrans-65.5-41.7173.7-122.3-81.7000112.6S1386 V1387 K1388 I1393 C1394S1386-Y1390 PolarHBondContact O-N 3.2Å; V1387-Y1390 VanDerWaalsContact O-CB 3.25Å; V1387-Y1390 WeakPolarHBondContact O-CB 3.34Å; V1387-Y1390 PolarHBondContact O-N 3.3Å; V1387-Y1390 VanDerWaalsContact O-N 3.12Å; K1388-Y1390 VanDerWaalsContact C-N 3.33Å; Y1390-I1393 PolarHBondContact O-N 3.49Å; Y1390-C1394 PolarHBondContact O-N 3.24Å; Y1390-C1394 PolarHBondContact O-SG 3.44Å; Y1390-C1394 VanDerWaalsContact O-SG 3.34Å
1391E52.4Low44.7Very low109 Ų109105.2 Ų105.251%0.50953%0.531SS..Hα-helixtrans-59.6-46.7174-67.5-179.7140.600111.3V1387 K1388 I1393 C1394 E1395V1387-E1391 PolarHBondContact O-N 3.29Å; V1387-E1391 VanDerWaalsContact O-N 3.11Å; K1388-E1391 PolarHBondContact O-N 3.27Å; E1391-I1393 VanDerWaalsContact C-N 3.33Å; E1391-I1393 PolarHBondContact O-N 2.96Å; E1391-C1394 WeakPolarHBondContact O-CB 3.37Å; E1391-C1394 PolarHBondContact O-N 2.95Å; E1391-E1395 PolarHBondContact O-N 3Å
1392L45.8Very low43.9Very low93 Ų93106.3 Ų106.349%0.48754%0.541SS..Hα-helixtrans-62.1-37.7-179.4-151.580.4000112.9K1388 Y1389 C1394 E1395 M1396K1388-L1392 PolarHBondContact O-N 3.25Å; K1388-L1392 VanDerWaalsContact O-N 3.16Å; Y1389-L1392 PolarHBondContact O-N 2.96Å; L1392-C1394 VanDerWaalsContact C-N 3.34Å; L1392-E1395 PolarHBondContact O-N 3.48Å; L1392-M1396 WeakPolarHBondContact O-CB 3.5Å; L1392-M1396 WeakPolarHBondContact O-CG 3.35Å; L1392-M1396 PolarHBondContact O-N 2.96Å
1393I48.4Very low43.3Very low69 Ų69105.3 Ų105.335%0.35456%0.555SS.*Hα-helixtrans-65.2-37.8174.7-71.8170.5000111.2Y1389 Y1390 E1391 S1397Y1389-I1393 HydrophobicContact CD1-CD1 4.07Å; Y1389-I1393 HydrophobicContact CE1-CD1 3.77Å; Y1389-I1393 HydrophobicContact CE2-CD1 4.42Å; Y1389-I1393 WeakPolarHBondContact O-CG1 3.42Å; Y1389-I1393 PolarHBondContact O-N 3.42Å; Y1389-I1393 VanDerWaalsContact O-N 3.17Å; Y1390-I1393 PolarHBondContact O-N 3.49Å; E1391-I1393 VanDerWaalsContact C-N 3.33Å; E1391-I1393 PolarHBondContact O-N 2.96Å; I1393-S1397 PolarHBondContact O-N 2.94Å; I1393-S1397 PolarHBondContact O-OG 3.46Å
1394C46.8Very low42.2Very low72 Ų72106.6 Ų106.649%0.48656%0.561SS.*Hα-helixtrans-67.1-39.5175.2-68.60000112.2Y1390 E1391 L1392 S1397 N1398Y1390-C1394 PolarHBondContact O-N 3.24Å; Y1390-C1394 PolarHBondContact O-SG 3.44Å; Y1390-C1394 VanDerWaalsContact O-SG 3.34Å; E1391-C1394 WeakPolarHBondContact O-CB 3.37Å; E1391-C1394 PolarHBondContact O-N 2.95Å; L1392-C1394 VanDerWaalsContact C-N 3.34Å; C1394-S1397 WeakPolarHBondContact O-CB 3.46Å; C1394-S1397 PolarHBondContact O-N 3.34Å; C1394-N1398 PolarHBondContact O-ND2 3.48Å
1395E43.9Very low41.3Very low132 Ų132103.9 Ų103.962%0.61756%0.559SS**Hα-helixtrans-67.3-45.9176.3-69.2-176.4146.900111.9E1391 L1392 S1397 N1398E1391-E1395 PolarHBondContact O-N 3Å; L1392-E1395 PolarHBondContact O-N 3.48Å; E1395-S1397 PolarHBondContact O-N 3.28Å; E1395-N1398 PolarHBondContact O-N 3Å
1396M36.1Very low40.7Very low136 Ų136105.1 Ų105.167%0.6757%0.573SS**Hα-helixtrans-61.7-15.7175.8-71.7-174.973.600114L1392 N1398L1392-M1396 WeakPolarHBondContact O-CB 3.5Å; L1392-M1396 WeakPolarHBondContact O-CG 3.35Å; L1392-M1396 PolarHBondContact O-N 2.96Å; M1396-N1398 VanDerWaalsContact C-N 3.32Å
1397S39.5Very low40.2Very low85 Ų85108 Ų10859%0.59459%0.593SS**THydrogen-bonded Turntrans-80.1-8.1179.2-62.10000114.3I1393 C1394 E1395I1393-S1397 PolarHBondContact O-N 2.94Å; I1393-S1397 PolarHBondContact O-OG 3.46Å; C1394-S1397 WeakPolarHBondContact O-CB 3.46Å; C1394-S1397 PolarHBondContact O-N 3.34Å; E1395-S1397 PolarHBondContact O-N 3.28Å
1398N37.2Very low39Very low133 Ų133113.7 Ų113.771%0.71161%0.605SS**THydrogen-bonded Turntrans-101.65.2-172.2-72.6-44.1000115.8C1394 E1395 M1396C1394-N1398 PolarHBondContact O-ND2 3.48Å; E1395-N1398 PolarHBondContact O-N 3Å; M1396-N1398 VanDerWaalsContact C-N 3.32Å
1399H34.4Very low38.3Very low147 Ų147115.9 Ų115.968%0.68162%0.62SS**SBendtrans-114.2131.2179.8-80.8-94.6000113.2S1401H1399-S1401 VanDerWaalsContact C-N 3.27Å; H1399-S1401 PolarHBondContact O-N 2.99Å
1400D31.1Very low37.7Very low177 Ų177115.2 Ų115.295%0.94763%0.632SS**SBendtrans-69.263.4-172.6-77.9-48.8000115.2
1401S31.3Very low37.1Very low96 Ų96110.6 Ų110.667%0.67163%0.625SS**  trans-133.429.1171.758.50000113H1399 G1403H1399-S1401 VanDerWaalsContact C-N 3.27Å; H1399-S1401 PolarHBondContact O-N 2.99Å; S1401-G1403 VanDerWaalsContact C-N 3.31Å; S1401-G1403 PolarHBondContact O-N 3.18Å
1402V28.3Very low36.1Very low123 Ų123107.6 Ų107.675%0.74562%0.619SS**THydrogen-bonded Turntrans-70.380.4-178.7-171.80000111.3
1403G33.4Very low35.5Very low61 Ų61107.4 Ų107.463%0.62963%0.631SS**THydrogen-bonded Turntrans-149-29177.300000115.6S1401S1401-G1403 VanDerWaalsContact C-N 3.31Å; S1401-G1403 PolarHBondContact O-N 3.18Å
1404Q32.4Very low34.9Very low170 Ų170113 Ų11379%0.79466%0.656SS**SBendtrans-117.5-16.4-177.3-66.5-172.6-4.600114.7S1407Q1404-S1407 PolarHBondContact O-OG 3.48Å
1405T31.6Very low34.3Very low79 Ų79112.2 Ų112.249%0.48565%0.654SS.*SBendtrans-72.4-32174.124.50000113S1407 R1408T1405-S1407 PolarHBondContact O-N 2.91Å; T1405-R1408 PolarHBondContact O-N 3.14Å
1406S31.8Very low34.1Very low90 Ų90114.6 Ų114.663%0.62967%0.671SS**Hα-helixtrans-61.5-25.4-177.4-174.80000114.5
1407S36.6Very low34Very low92 Ų92113.3 Ų113.364%0.64366%0.664SS**Hα-helixtrans-84.7-19.9-178.256.70000113.8Q1404 T1405Q1404-S1407 PolarHBondContact O-OG 3.48Å; T1405-S1407 PolarHBondContact O-N 2.91Å
1408R33.6Very low34.5Very low206 Ų206112.2 Ų112.278%0.77765%0.653SS**Hα-helixtrans-91.1-22.8178.6-69.7-175173.2-176.8-1.9113.7T1405 S1411T1405-R1408 PolarHBondContact O-N 3.14Å; R1408-S1411 PolarHBondContact O-OG 3.18Å
1409L32.7Very low34.8Very low127 Ų127110.9 Ų110.967%0.66565%0.646SS**Hα-helixtrans-76.9-26.5173.5-76.2162.2000112.7S1411 A1412L1409-S1411 PolarHBondContact O-N 2.96Å; L1409-A1412 PolarHBondContact O-N 3.47Å
1410G33.9Very low35.4Very low47 Ų47107.3 Ų107.349%0.48563%0.629SS.*G310 helixtrans-65.1-36.2177.700000114A1412 A1413G1410-A1412 PolarHBondContact O-N 3.2Å; G1410-A1413 PolarHBondContact O-N 3.49Å
1411S39Very low36.3Very low79 Ų79102.2 Ų102.255%0.55260%0.602SS**G310 helixtrans-70.8-10.2-17941.90000114.9R1408 L1409 A1413R1408-S1411 PolarHBondContact O-OG 3.18Å; L1409-S1411 PolarHBondContact O-N 2.96Å; S1411-A1413 VanDerWaalsContact C-N 3.34Å
1412A31.1Very low37.2Very low46 Ų46102.4 Ų102.438%0.3859%0.589SS.*G310 helixtrans-82.8-9.6175.600000113.4L1409 G1410L1409-A1412 PolarHBondContact O-N 3.47Å; G1410-A1412 PolarHBondContact O-N 3.2Å
1413A33.1Very low38.1Very low89 Ų8998.7 Ų98.774%0.73656%0.563SS**SBendtrans-92.2-8.4-176.900000114.5G1410 S1411G1410-A1413 PolarHBondContact O-N 3.49Å; S1411-A1413 VanDerWaalsContact C-N 3.34Å
1414E35.9Very low38.8Very low187 Ų18799 Ų9987%0.87455%0.55SS*.SBendtrans-102.5-3.1-177.8-63.1-170.1138.200113.6
1415A33.5Very low39.7Very low55 Ų5592.6 Ų92.646%0.45552%0.523SS..SBendtrans-119.1134.4171.300000110.1E1417A1415-E1417 PolarHBondContact O-N 2.98Å
1416N39.4Very low40.5Very low182 Ų18291.7 Ų91.797%0.97351%0.514SS*.  trans-78.653.4177.8-81.4-11000112.3
1417E34.8Very low41Very low109 Ų10988.9 Ų88.951%0.50949%0.491SS..  trans-100144.6162.7-71-171.6150.900108.5A1415 D1421A1415-E1417 PolarHBondContact O-N 2.98Å; E1417-D1421 HydrophobicContact CB-CB 4.21Å
1418T49.7Very low41.3Very low62 Ų6288.2 Ų88.238%0.3849%0.487SS..  trans-72.1159.9170.471.60000110.4E1420 D1421 Y1422T1418-E1420 PolarHBondContact O-N 3.39Å; T1418-E1420 PolarHBondContact OG1-N 3.33Å; T1418-D1421 VanDerWaalsContact CB-OD2 3.3Å; T1418-D1421 WeakPolarHBondContact CB-OD2 3.42Å; T1418-D1421 WeakPolarHBondContact CG2-OD2 3.48Å; T1418-D1421 PolarHBondContact N-OD2 2.98Å; T1418-D1421 PolarHBondContact O-N 3.44Å; T1418-D1421 PolarHBondContact OG1-N 3.06Å; T1418-D1421 PolarHBondContact OG1-OD2 3.48Å; T1418-Y1422 PolarHBondContact O-N 2.85Å
1419L44.2Very low41.8Very low105 Ų10584.8 Ų84.855%0.5548%0.477SS..Hα-helixtrans-61.4-25.1172.7-118.7155.2000112Y1389 F1423Y1389-L1419 HydrophobicContact CE1-CD2 4Å; L1419-F1423 WeakPolarHBondContact O-CB 3.39Å; L1419-F1423 PolarHBondContact O-N 2.9Å
1420E45.6Very low42Very low72 Ų7284.9 Ų84.934%0.33648%0.476SS..Hα-helixtrans-72.5-42.4170.2-61.5-163.8149.400112.4K1382 S1386 T1418 F1423 L1424K1382-E1420 IonicContact NZ-OE2 3.68Å; K1382-E1420 PolarHBondContact NZ-OE2 3Å; S1386-E1420 WeakPolarHBondContact CB-OE1 3.27Å; S1386-E1420 PolarHBondContact OG-OE1 3.27Å; T1418-E1420 PolarHBondContact O-N 3.39Å; T1418-E1420 PolarHBondContact OG1-N 3.33Å; E1420-F1423 PolarHBondContact O-N 3.27Å; E1420-L1424 WeakPolarHBondContact O-CB 3.47Å; E1420-L1424 WeakPolarHBondContact O-CG 3.44Å; E1420-L1424 PolarHBondContact O-N 2.99Å
1421D49.7Very low41.9Very low70 Ų7087.2 Ų87.237%0.37449%0.485SS..Hα-helixtrans-64.8-43.3177.6-63-53.9000111.3E1417 T1418 F1423 L1424 S1425E1417-D1421 HydrophobicContact CB-CB 4.21Å; T1418-D1421 VanDerWaalsContact CB-OD2 3.3Å; T1418-D1421 WeakPolarHBondContact CB-OD2 3.42Å; T1418-D1421 WeakPolarHBondContact CG2-OD2 3.48Å; T1418-D1421 PolarHBondContact N-OD2 2.98Å; T1418-D1421 PolarHBondContact O-N 3.44Å; T1418-D1421 PolarHBondContact OG1-N 3.06Å; T1418-D1421 PolarHBondContact OG1-OD2 3.48Å; D1421-F1423 VanDerWaalsContact C-N 3.33Å; D1421-F1423 PolarHBondContact O-N 3.42Å; D1421-L1424 PolarHBondContact O-N 2.98Å; D1421-S1425 WeakPolarHBondContact O-CB 3.38Å; D1421-S1425 PolarHBondContact O-N 3.32Å
1422Y50.6Low41.5Very low99 Ų9989.2 Ų89.239%0.38849%0.489SS..Hα-helixtrans-60.3-44.5173.9-173.9-94000110.9T1418 S1425 Q1426T1418-Y1422 PolarHBondContact O-N 2.85Å; Y1422-S1425 WeakPolarHBondContact O-CB 3.31Å; Y1422-S1425 PolarHBondContact O-N 2.92Å; Y1422-Q1426 HydrophobicContact CD1-CG 4.2Å; Y1422-Q1426 HydrophobicContact CE1-CG 3.87Å; Y1422-Q1426 WeakPolarHBondContact O-CG 3.48Å; Y1422-Q1426 PolarHBondContact O-N 3.03Å; Y1422-Q1426 PolarHBondContact OH-NE2 3.5Å
1423F47.4Very low41.4Very low45 Ų4589.4 Ų89.420%0.19748%0.483CS..Hα-helixtrans-63.8-44.3176.8-177.9-115.4000112.4Y1389 L1419 E1420 D1421 S1425 Q1426 M1427Y1389-F1423 HydrophobicContact CD1-CD2 4.39Å; Y1389-F1423 HydrophobicContact CD1-CG 4.25Å; Y1389-F1423 AromaticContact CD2-CD2 3.69Å; Y1389-F1423 HydrophobicContact CD2-CD2 3.69Å; Y1389-F1423 HydrophobicContact CD2-CE1 4.43Å; Y1389-F1423 AromaticContact CD2-CE2 3.49Å; Y1389-F1423 HydrophobicContact CD2-CE2 3.49Å; Y1389-F1423 VanDerWaalsContact CD2-CE2 3.49Å; Y1389-F1423 HydrophobicContact CD2-CG 4.26Å; Y1389-F1423 AromaticContact CD2-CZ 3.89Å; Y1389-F1423 HydrophobicContact CD2-CZ 3.89Å; Y1389-F1423 HydrophobicContact CE1-CB 4.15Å; Y1389-F1423 HydrophobicContact CE1-CD2 4.15Å; Y1389-F1423 HydrophobicContact CE1-CG 4.17Å; Y1389-F1423 AromaticContact CE2-CD2 3.42Å; Y1389-F1423 HydrophobicContact CE2-CD2 3.42Å; Y1389-F1423 VanDerWaalsContact CE2-CD2 3.42Å; Y1389-F1423 AromaticContact CE2-CE2 3.54Å; Y1389-F1423 HydrophobicContact CE2-CE2 3.54Å; Y1389-F1423 HydrophobicContact CE2-CG 4.21Å; Y1389-F1423 HydrophobicContact CE2-CZ 4.39Å; Y1389-F1423 HydrophobicContact CG-CD1 4.4Å; Y1389-F1423 HydrophobicContact CG-CD2 4.18Å; Y1389-F1423 HydrophobicContact CG-CE1 4.41Å; Y1389-F1423 HydrophobicContact CG-CE2 4.2Å; Y1389-F1423 HydrophobicContact CG-CG 4.29Å; Y1389-F1423 HydrophobicContact CG-CZ 4.31Å; Y1389-F1423 AromaticContact CZ-CD2 3.67Å; L1419-F1423 WeakPolarHBondContact O-CB 3.39Å; L1419-F1423 PolarHBondContact O-N 2.9Å; E1420-F1423 PolarHBondContact O-N 3.27Å; D1421-F1423 VanDerWaalsContact C-N 3.33Å; D1421-F1423 PolarHBondContact O-N 3.42Å; F1423-S1425 VanDerWaalsContact C-N 3.35Å; F1423-S1425 PolarHBondContact O-N 2.95Å; F1423-Q1426 PolarHBondContact O-N 3.45Å; F1423-M1427 HydrophobicContact CD1-CG 4.22Å; F1423-M1427 HydrophobicContact CD2-CG 4.13Å; F1423-M1427 HydrophobicContact CE1-CE 4.43Å; F1423-M1427 HydrophobicContact CE1-CG 3.87Å; F1423-M1427 HydrophobicContact CE1-SD 4.46Å; F1423-M1427 HydrophobicContact CE2-CG 3.77Å; F1423-M1427 HydrophobicContact CE2-SD 4.03Å; F1423-M1427 HydrophobicContact CG-CG 4.35Å; F1423-M1427 HydrophobicContact CZ-CE 4.08Å; F1423-M1427 HydrophobicContact CZ-CG 3.64Å; F1423-M1427 HydrophobicContact CZ-SD 3.78Å; F1423-M1427 WeakPolarHBondContact O-CB 3.32Å; F1423-M1427 VanDerWaalsContact O-CG 3.25Å; F1423-M1427 WeakPolarHBondContact O-CG 3.27Å; F1423-M1427 PolarHBondContact O-N 3.12Å
1424L48.6Very low41.2Very low68 Ų6894.7 Ų94.736%0.35649%0.489SS..Hα-helixtrans-63.4-39.1174.7-77.4164.6000112.1E1420 D1421 M1427 S1428E1420-L1424 WeakPolarHBondContact O-CB 3.47Å; E1420-L1424 WeakPolarHBondContact O-CG 3.44Å; E1420-L1424 PolarHBondContact O-N 2.99Å; D1421-L1424 PolarHBondContact O-N 2.98Å; L1424-M1427 PolarHBondContact O-N 3.17Å; L1424-S1428 VanDerWaalsContact O-CB 3.24Å; L1424-S1428 WeakPolarHBondContact O-CB 3.49Å; L1424-S1428 PolarHBondContact O-N 3.22Å
1425S50.3Low40.7Very low35 Ų3588.9 Ų88.925%0.24547%0.466CS..Hα-helixtrans-60.2-44173.9-173.90000111.2D1421 Y1422 F1423 K1429D1421-S1425 WeakPolarHBondContact O-CB 3.38Å; D1421-S1425 PolarHBondContact O-N 3.32Å; Y1422-S1425 WeakPolarHBondContact O-CB 3.31Å; Y1422-S1425 PolarHBondContact O-N 2.92Å; F1423-S1425 VanDerWaalsContact C-N 3.35Å; F1423-S1425 PolarHBondContact O-N 2.95Å; S1425-K1429 VanDerWaalsContact O-CD 3.27Å; S1425-K1429 WeakPolarHBondContact O-CD 3.3Å; S1425-K1429 WeakPolarHBondContact O-CG 3.46Å; S1425-K1429 PolarHBondContact O-N 3.15Å; S1425-K1429 VanDerWaalsContact O-N 3.09Å; S1425-K1429 PolarHBondContact OG-NZ 3.33Å
1426Q49Very low40.3Very low60 Ų6090.1 Ų90.128%0.2847%0.47SS..Hα-helixtrans-72.4-42.6175.5-60.7-57.6-13.900112.9Y1422 F1423 S1428 K1429 M1430Y1422-Q1426 HydrophobicContact CD1-CG 4.2Å; Y1422-Q1426 HydrophobicContact CE1-CG 3.87Å; Y1422-Q1426 WeakPolarHBondContact O-CG 3.48Å; Y1422-Q1426 PolarHBondContact O-N 3.03Å; Y1422-Q1426 PolarHBondContact OH-NE2 3.5Å; F1423-Q1426 PolarHBondContact O-N 3.45Å; Q1426-S1428 VanDerWaalsContact C-N 3.29Å; Q1426-S1428 PolarHBondContact O-N 3.42Å; Q1426-K1429 WeakPolarHBondContact O-CB 3.37Å; Q1426-K1429 PolarHBondContact O-N 3.45Å; Q1426-K1429 VanDerWaalsContact O-N 3.09Å; Q1426-M1430 WeakPolarHBondContact O-CB 3.27Å; Q1426-M1430 WeakPolarHBondContact O-CG 3.36Å; Q1426-M1430 PolarHBondContact O-N 2.92Å
1427M42.9Very low39.6Very low31 Ų3191.8 Ų91.815%0.15346%0.463CS..Hα-helixtrans-61.9-36.3176.7-72.8-75.2-83.300112.2F1423 L1424 S1431 L1432 I1433F1423-M1427 HydrophobicContact CD1-CG 4.22Å; F1423-M1427 HydrophobicContact CD2-CG 4.13Å; F1423-M1427 HydrophobicContact CE1-CE 4.43Å; F1423-M1427 HydrophobicContact CE1-CG 3.87Å; F1423-M1427 HydrophobicContact CE1-SD 4.46Å; F1423-M1427 HydrophobicContact CE2-CG 3.77Å; F1423-M1427 HydrophobicContact CE2-SD 4.03Å; F1423-M1427 HydrophobicContact CG-CG 4.35Å; F1423-M1427 HydrophobicContact CZ-CE 4.08Å; F1423-M1427 HydrophobicContact CZ-CG 3.64Å; F1423-M1427 HydrophobicContact CZ-SD 3.78Å; F1423-M1427 WeakPolarHBondContact O-CB 3.32Å; F1423-M1427 VanDerWaalsContact O-CG 3.25Å; F1423-M1427 WeakPolarHBondContact O-CG 3.27Å; F1423-M1427 PolarHBondContact O-N 3.12Å; L1424-M1427 PolarHBondContact O-N 3.17Å; M1427-S1431 PolarHBondContact O-N 3.45Å; M1427-L1432 HydrophobicContact CE-CB 4.3Å; M1427-L1432 PolarHBondContact O-N 3Å; M1427-L1432 HydrophobicContact SD-CB 4.33Å; M1427-L1432 HydrophobicContact SD-CD1 3.93Å; M1427-I1433 HydrophobicContact CB-CD1 4.31Å; M1427-I1433 HydrophobicContact CE-CD1 3.97Å; M1427-I1433 HydrophobicContact CE-CG1 4.13Å
1428S43.1Very low39Very low79 Ų7995.3 Ų95.355%0.55247%0.472SS*.Hα-helixtrans-71.2-34.4172.8-173.30000112.7L1424 Q1426 S1431L1424-S1428 VanDerWaalsContact O-CB 3.24Å; L1424-S1428 WeakPolarHBondContact O-CB 3.49Å; L1424-S1428 PolarHBondContact O-N 3.22Å; Q1426-S1428 VanDerWaalsContact C-N 3.29Å; Q1426-S1428 PolarHBondContact O-N 3.42Å; S1428-S1431 PolarHBondContact O-N 3.18Å
1429K42.4Very low37.8Very low134 Ų13498.2 Ų98.258%0.58349%0.486SS*.Hα-helixtrans-69.7-35.1172.9-74.3160.2-176152.20112S1425 Q1426 S1431S1425-K1429 VanDerWaalsContact O-CD 3.27Å; S1425-K1429 WeakPolarHBondContact O-CD 3.3Å; S1425-K1429 WeakPolarHBondContact O-CG 3.46Å; S1425-K1429 PolarHBondContact O-N 3.15Å; S1425-K1429 VanDerWaalsContact O-N 3.09Å; S1425-K1429 PolarHBondContact OG-NZ 3.33Å; Q1426-K1429 WeakPolarHBondContact O-CB 3.37Å; Q1426-K1429 PolarHBondContact O-N 3.45Å; Q1426-K1429 VanDerWaalsContact O-N 3.09Å; K1429-S1431 PolarHBondContact O-N 3.19Å
1430M38.1Very low36.8Very low128 Ų12898.2 Ų98.263%0.63149%0.49SS*.THydrogen-bonded Turntrans-78.60.4176.4-71.2-176.9165.900114.1Q1426 L1432Q1426-M1430 WeakPolarHBondContact O-CB 3.27Å; Q1426-M1430 WeakPolarHBondContact O-CG 3.36Å; Q1426-M1430 PolarHBondContact O-N 2.92Å; M1430-L1432 HydrophobicContact CB-CD1 3.98Å; M1430-L1432 HydrophobicContact CB-CG 4.09Å; M1430-L1432 PolarHBondContact O-N 3.34Å; M1430-L1432 VanDerWaalsContact O-N 3.07Å; M1430-L1432 HydrophobicContact SD-CD1 4.36Å
1431S31Very low35.6Very low97 Ų97102.2 Ų102.268%0.67851%0.513SS*.THydrogen-bonded Turntrans58.815-179.1-56.70000115.6M1427 S1428 K1429 I1433M1427-S1431 PolarHBondContact O-N 3.45Å; S1428-S1431 PolarHBondContact O-N 3.18Å; K1429-S1431 PolarHBondContact O-N 3.19Å; S1431-I1433 VanDerWaalsContact C-N 3.32Å; S1431-I1433 PolarHBondContact O-N 3.03Å
1432L30.5Very low34.4Very low120 Ų120104.1 Ų104.163%0.62853%0.527SS*.  trans-75.5-19.4-176.1-72.9170.1000113.3M1427 M1430M1427-L1432 HydrophobicContact CE-CB 4.3Å; M1427-L1432 PolarHBondContact O-N 3Å; M1427-L1432 HydrophobicContact SD-CB 4.33Å; M1427-L1432 HydrophobicContact SD-CD1 3.93Å; M1430-L1432 HydrophobicContact CB-CD1 3.98Å; M1430-L1432 HydrophobicContact CB-CG 4.09Å; M1430-L1432 PolarHBondContact O-N 3.34Å; M1430-L1432 VanDerWaalsContact O-N 3.07Å; M1430-L1432 HydrophobicContact SD-CD1 4.36Å
1433I29.9Very low33Very low50 Ų50104.5 Ų104.526%0.25655%0.545SS..  trans-122.2103.9173-56.8178.3000108.6L1385 M1427 S1431 T1435L1385-I1433 HydrophobicContact CD1-CD1 4.32Å; M1427-I1433 HydrophobicContact CB-CD1 4.31Å; M1427-I1433 HydrophobicContact CE-CD1 3.97Å; M1427-I1433 HydrophobicContact CE-CG1 4.13Å; S1431-I1433 VanDerWaalsContact C-N 3.32Å; S1431-I1433 PolarHBondContact O-N 3.03Å; I1433-T1435 HydrophobicContact CG2-CG2 3.99Å; I1433-T1435 PolarHBondContact O-N 3.15Å; I1433-T1435 VanDerWaalsContact O-N 3.09Å
1434K28.7Very low31.9Very low201 Ų201109 Ų10987%0.87457%0.571SS**  trans-74.790.9164.5-81.5-172.5175.4-179.60109.1P1436K1434-P1436 WeakPolarHBondContact O-CD 3.42Å
1435T26.2Very low30.7Very low64 Ų64113.4 Ų113.439%0.39360%0.595SS.*  trans-65.2119.1169.660.80000108.9Y1378 I1433 R1437Y1378-T1435 WeakPolarHBondContact OH-CG2 3.31Å; I1433-T1435 HydrophobicContact CG2-CG2 3.99Å; I1433-T1435 PolarHBondContact O-N 3.15Å; I1433-T1435 VanDerWaalsContact O-N 3.09Å; T1435-R1437 PolarHBondContact O-N 3.45Å
1436P24.6Very low29.5Very low81 Ų81120.3 Ų120.353%0.52662%0.623SS.*  trans-73.193.5176.830-32.8000109K1434 Y1438K1434-P1436 WeakPolarHBondContact O-CD 3.42Å; P1436-Y1438 HydrophobicContact CB-CD2 4.35Å; P1436-Y1438 HydrophobicContact CB-CE2 4.43Å; P1436-Y1438 PolarHBondContact O-N 3.3Å
1437R23.8Very low28.2Very low218 Ų218122.3 Ų122.382%0.82364%0.644SS**  trans-70.287.5167.1-74.8-168.7-179.4-170.80.8108.8T1435 N1439T1435-R1437 PolarHBondContact O-N 3.45Å; R1437-N1439 VanDerWaalsContact C-N 3.31Å; R1437-N1439 PolarHBondContact O-N 3.23Å
1438Y23.6Very low27.3Very low182 Ų182128.3 Ų128.371%0.71467%0.673SS**  trans-6399.1154.7-85-95.7000107.5P1436 V1440P1436-Y1438 HydrophobicContact CB-CD2 4.35Å; P1436-Y1438 HydrophobicContact CB-CE2 4.43Å; P1436-Y1438 PolarHBondContact O-N 3.3Å; Y1438-V1440 VanDerWaalsContact C-N 3.33Å; Y1438-V1440 PolarHBondContact O-N 3.42Å
1439N22.6Very low26.4Very low124 Ų124130.5 Ų130.566%0.66368%0.684SS**  trans-64.9103.3156.3-86.76.4000106.2R1437 D1441R1437-N1439 VanDerWaalsContact C-N 3.31Å; R1437-N1439 PolarHBondContact O-N 3.23Å; N1439-D1441 PolarHBondContact O-N 3.03Å; N1439-D1441 VanDerWaalsContact O-N 3.13Å
1440V23.8Very low25.6Very low105 Ų105129.6 Ų129.664%0.63669%0.694SS**  trans-66.1109.2164.3178.10000106.4Y1438 V1442Y1438-V1440 VanDerWaalsContact C-N 3.33Å; Y1438-V1440 PolarHBondContact O-N 3.42Å; V1440-V1442 HydrophobicContact CG1-CG2 4.03Å; V1440-V1442 PolarHBondContact O-N 3.48Å
1441D21.1Very low24.8Very low155 Ų155130.7 Ų130.783%0.82970%0.701SS**  trans-65.984.6170.8-90.1-33.6000109.1N1439 S1443N1439-D1441 PolarHBondContact O-N 3.03Å; N1439-D1441 VanDerWaalsContact O-N 3.13Å; D1441-S1443 VanDerWaalsContact C-N 3.34Å; D1441-S1443 PolarHBondContact O-N 3.14Å
1442V23.9Very low24.5Very low110 Ų110132.3 Ų132.367%0.66770%0.702SS**  trans-69.995.5169.6-179.40000107.6V1440 N1444V1440-V1442 HydrophobicContact CG1-CG2 4.03Å; V1440-V1442 PolarHBondContact O-N 3.48Å; V1442-N1444 PolarHBondContact O-N 3.34Å
1443S22.2Very low24.1Very low108 Ų108134.4 Ų134.476%0.75571%0.709SS**  trans-6393178.959.10000111.8D1441 D1445D1441-S1443 VanDerWaalsContact C-N 3.34Å; D1441-S1443 PolarHBondContact O-N 3.14Å; S1443-D1445 PolarHBondContact O-N 3.38Å
1444N23.7Very low23.8Very low139 Ų139140.9 Ų140.974%0.74374%0.738SS**  trans-93.481.3165.4-86.85.1000110.1V1442 E1446V1442-N1444 PolarHBondContact O-N 3.34Å; N1444-E1446 PolarHBondContact O-N 2.95Å; N1444-E1446 VanDerWaalsContact O-N 3.12Å
1445D22.7Very low23.6Very low160 Ų160137.1 Ų137.186%0.85673%0.734SS**  trans-81.170.5168.5-166.19.9000109.5S1443S1443-D1445 PolarHBondContact O-N 3.38Å
1446E24.9Very low23.4Very low180 Ų180141.8 Ų141.884%0.84176%0.756SS**  trans-108119.1170.6-75.5-154.8142.100111.4N1444N1444-E1446 PolarHBondContact O-N 2.95Å; N1444-E1446 VanDerWaalsContact O-N 3.12Å
1447S22.4Very low23.3Very low102 Ų102146.4 Ų146.471%0.71377%0.773SS**  trans-95.3179.7174.162.20000111.4
1448M24.5Very low23.5Very low158 Ų158143.7 Ų143.778%0.77877%0.769SS**  trans78.289.6170.9-60-65.6-168.500119.1
1449T24.2Very low23.5Very low125 Ų125139 Ų13977%0.76776%0.763SS**  52.3109.5124.359.70000121.6
1450S24.5Very low23.7Very low115 Ų115139.4 Ų139.480%0.80477%0.77SS**  -162.1142.4122.543.80000107.9
1451L22.7Very low23.7Very low150 Ų150140 Ų14079%0.78578%0.776SS**  cis79.18624.8-139.3178.9000114.5
1452N22.9Very low24Very low131 Ų131139.5 Ų139.570%0.70178%0.779SS**  trans79.4133.7160.5-86.2-18.4000121.9
1453Q24.1Very low24.1Very low164 Ų164143.3 Ų143.377%0.76679%0.786SS**  trans71.396.1141.1-68176.71.100121.1
1454Q22.9Very low24.3Very low187 Ų187141.9 Ų141.987%0.87479%0.789SS**  61.7144.9128.4-75.9-174.5-36.200121.3
1455P24Very low24.3Very low121 Ų121141.4 Ų141.479%0.78679%0.791SS**  trans-87.2152.3-170.235.8-36.6000113.7
1456L23.1Very low24.9Very low163 Ų163139.3 Ų139.385%0.85379%0.786SS**  trans-13292.8167.9-114166000110.7
1457M21.8Very low25Very low178 Ų178137.2 Ų137.288%0.87779%0.786SS**  trans-86.9103.7167.7-102.8-77.1-165.100109.4
1458H27Very low25.3Very low160 Ų160139.3 Ų139.374%0.74179%0.789SS**  trans-151.699.5159.8-98.6-68.1000107.2
1459S25.1Very low25.4Very low84 Ų84137 Ų13759%0.58779%0.786SS**  67.1121.491.277.30000112.5
1460T25.4Very low25.3Very low132 Ų132140.9 Ų140.981%0.8179%0.792SS**  cis-150.3156.335.841.70000113.5
1461P24.8Very low25.6Very low117 Ų117145.5 Ų145.576%0.7681%0.805SS**PPolyproline II helixtrans-94.8161.8173.137.8-34.5000112.9
1462V27.6Very low25.7Very low146 Ų146145.3 Ų145.389%0.88581%0.806SS**PPolyproline II helixtrans-103.6136.5162.41770000109.1
1463K24.6Very low25.8Very low189 Ų189146.1 Ų146.182%0.82281%0.812SS**PPolyproline II helixtrans-83.9144.5-176.9-65178.1175.7-179.40112.1
1464G27.6Very low25.9Very low79 Ų79145.1 Ų145.181%0.81482%0.815SS**  trans-148.774.9167.300000110
1465T24.1Very low26.1Very low129 Ų129142.6 Ų142.679%0.79181%0.811SS**  trans-81.8161.3-172.935.60000113.7
1466P34.4Very low26.3Very low115 Ų115143.9 Ų143.975%0.74781%0.813SS**  trans-121.4172.2-143.143.4-34.3000116.7
1467T27.4Very low26.5Very low136 Ų136142.7 Ų142.783%0.83481%0.81SS**  trans-163.1154.7147.320.50000105.9
1468D28Very low26.8Very low147 Ų147140.1 Ų140.179%0.78681%0.805SS**  cis-145163.923.8-139.523.1000110.4
1469P27.6Very low26.8Very low109 Ų109138.6 Ų138.671%0.70881%0.81SS**  trans-93.5128-16434.1-33.4000115.6
1470K22.8Very low26.9Very low206 Ų206143.2 Ų143.290%0.89683%0.829SS**  trans-157.488.7153.7-82.3-153.4176.7-170.20112.2
1471I28.9Very low27.1Very low213 Ų213144.2 Ų144.2100%1.09283%0.83SS**  trans-137.90145.1-64.5-171.3000105.6

Retrieved 1,471 of 1,471 residues in 332.3 ms (Link to these results)

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