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Isoform 2 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit AlphaSync

Canonical isoform description: Catalyzes the transfer of a single N-acetylglucosamine from UDP-GlcNAc to a serine or threonine residue in cytoplasmic and nuclear proteins resulting in their modification with a beta-linked N-acetylglucosamine (O-GlcNAc)1. Glycosylates a large and diverse number of proteins including histone H2B, AKT1, AMPK, ATG4B, CAPRIN1, EZH2, FNIP1, GSDMD, KRT7, LMNA, LMNB1, LMNB2, RPTOR, HOXA1, PFKL, KMT2E/MLL5, MAPT/TAU, TET2, RBL2, RET, NOD2 and HCFC1 (By similarity). Can regulate their cellular processes via cross-talk between glycosylation and phosphorylation or by affecting proteolytic processing (By similarity). Involved in insulin resistance in muscle and adipocyte cells via glycosylating insulin signaling components and inhibiting the 'Thr-308' phosphorylation of AKT1, enhancing IRS1 phosphorylation and attenuating insulin signaling (By similarity). Involved in glycolysis regulation by mediating glycosylation of 6-phosphofructokinase PFKL, inhibiting its activity (By similarity). Plays a key role in chromatin structure by mediating O-GlcNAcylation of 'Ser-112' of histone H2B: recruited to CpG-rich transcription start sites of active genes via its interaction with TET proteins (TET1, TET2 or TET3) (By similarity). As part of the NSL complex indirectly involved in acetylation of nucleosomal histone H4 on several lysine residues (By similarity). O-GlcNAcylation of 'Ser-75' of EZH2 increases its stability, and facilitating the formation of H3K27me3 by the PRC2/EED-EZH2 complex (By similarity). Stabilizes KMT2E/MLL5 by mediating its glycosylation, thereby preventing KMT2E/MLL5 ubiquitination (By similarity). Regulates circadian oscillation of the clock genes and glucose homeostasis in the liver2,3. Stabilizes clock proteins BMAL1 and CLOCK through O-glycosylation, which prevents their ubiquitination and subsequent degradation4,5. Promotes the CLOCK-BMAL1-mediated transcription of genes in the negative loop of the circadian clock such as PER1/2 and CRY1/26,7. O-glycosylates HCFC1 and regulates its proteolytic processing and transcriptional activity (By similarity). Component of a THAP1/THAP3-HCFC1-OGT complex that is required for the regulation of the transcriptional activity of RRM1 (By similarity). Regulates mitochondrial motility in neurons by mediating glycosylation of TRAK1 (By similarity). Promotes autophagy by mediating O-glycosylation of ATG4B (By similarity). Acts as a regulator of mTORC1 signaling by mediating O-glycosylation of RPTOR and FNIP1: O-GlcNAcylation of RPTOR in response to glucose sufficiency promotes activation of the mTORC1 complex (By similarity).

AlphaFold DB , UniProt , Accession Q8CGY8-2 (canonical: Q8CGY8), Species MOUSE (Mus musculus, Mouse), Gene Ogt, Length 1,036 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low40.6Very low245 Ų245118.8 Ų118.8100%1.20776%0.761SS**  0125.20-66.1-165.2-149.800107.8
2A34.5Very low42.9Very low94 Ų94116.6 Ų116.678%0.77775%0.745SS**  trans18.9114.2164.700000119.1
3S31.6Very low45.7Very low105 Ų105109.9 Ų109.973%0.73471%0.712SS**  79.5111.56473.10000116.2
4S34.1Very low48.3Very low111 Ų111104.6 Ų104.678%0.77667%0.674SS**  trans55.1134.8148.569.20000119.1
5V32.4Very low50.5Low144 Ų144100.1 Ų100.187%0.87365%0.65SS**  -174.914760.6171.40000109.2
6G29.9Very low52.7Low72 Ų72100.7 Ų100.774%0.74264%0.641SS**  trans11279.5137.900000119.1
7N36.6Very low54.8Low167 Ų16799 Ų9989%0.89363%0.625SS**  trans-113.680169.1-143.714.9000108.8
8V40.2Very low56.7Low139 Ų13993.5 Ų93.584%0.84259%0.591SS**  trans-139.985.7164.2-175.50000104.9
9A48.5Very low58.3Low79 Ų7993.3 Ų93.365%0.65358%0.581SS**  trans-67.7132.217000000107.9S11A9-S11 PolarHBondContact O-N 3.07Å
10D59.2Low59.8Low108 Ų10896.9 Ų96.958%0.57858%0.583SS**  trans-54.396.7-174.5-170.50.2000112.1T12 G13 L14D10-T12 PolarHBondContact O-N 3.4Å; D10-T12 WeakPolarHBondContact OD1-CB 3.46Å; D10-T12 PolarHBondContact OD1-N 3.05Å; D10-T12 PolarHBondContact OD1-OG1 2.91Å; D10-G13 PolarHBondContact O-N 2.98Å; D10-G13 PolarHBondContact OD1-N 2.83Å; D10-L14 PolarHBondContact O-N 3.25Å
11S64.2Low61.3Low43 Ų4393.8 Ų93.830%0.30156%0.563SS.*Hα-helixtrans-61.7-29.7179.454.60000111.8A9 A15A9-S11 PolarHBondContact O-N 3.07Å; S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 2.77Å; S11-A15 VanDerWaalsContact O-N 3.15Å
12T68Low63.9Low92 Ų9284.7 Ų84.756%0.56452%0.515SS*.Hα-helixtrans-63.7-48.7172.9-3.40000112.1D10 L14 A15 E16D10-T12 PolarHBondContact O-N 3.4Å; D10-T12 WeakPolarHBondContact OD1-CB 3.46Å; D10-T12 PolarHBondContact OD1-N 3.05Å; D10-T12 PolarHBondContact OD1-OG1 2.91Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-L14 PolarHBondContact O-N 3.27Å; T12-A15 PolarHBondContact O-N 2.65Å; T12-E16 PolarHBondContact O-N 3.05Å; T12-E16 VanDerWaalsContact O-N 3.09Å
13G79Confident66.4Low30 Ų3086.6 Ų86.631%0.30951%0.508SS..Hα-helixtrans-64.2-37179.800000113.4D10 L17D10-G13 PolarHBondContact O-N 2.98Å; D10-G13 PolarHBondContact OD1-N 2.83Å; G13-L17 WeakPolarHBondContact O-CB 3.49Å; G13-L17 PolarHBondContact O-N 3.29Å; G13-L17 VanDerWaalsContact O-N 3.07Å
14L82.1Confident69.1Low36 Ų3685.7 Ų85.719%0.18851%0.507CS..Hα-helixtrans-71.4-34.4178-164.272000111.9D10 T12 L17 A18 H33 Q36 L37D10-L14 PolarHBondContact O-N 3.25Å; T12-L14 VanDerWaalsContact C-N 3.35Å; T12-L14 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 2.79Å; L14-A18 PolarHBondContact O-N 3.09Å; L14-H33 HydrophobicContact CD1-CB 4.38Å; L14-H33 HydrophobicContact CG-CB 4.43Å; L14-Q36 HydrophobicContact CD2-CB 4.42Å; L14-Q36 HydrophobicContact CD2-CG 4.14Å; L14-L37 HydrophobicContact CB-CD1 4.43Å; L14-L37 HydrophobicContact CB-CD2 4.03Å; L14-L37 HydrophobicContact CB-CG 4.34Å; L14-L37 HydrophobicContact CD2-CD1 4.49Å; L14-L37 HydrophobicContact CD2-CD2 3.86Å; L14-L37 HydrophobicContact CD2-CG 3.76Å; L14-L37 HydrophobicContact CG-CD1 4.31Å; L14-L37 HydrophobicContact CG-CD2 4.26Å; L14-L37 HydrophobicContact CG-CG 4.1Å
15A81.8Confident71.6Confident37 Ų3782.2 Ų82.231%0.30649%0.488SS..Hα-helixtrans-68.1-42.1175.400000112.2S11 T12 L17 A18 H19 L37S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 2.77Å; S11-A15 VanDerWaalsContact O-N 3.15Å; T12-A15 PolarHBondContact O-N 2.65Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-A18 PolarHBondContact O-N 2.81Å; A15-H19 PolarHBondContact O-N 3.14Å; A15-L37 HydrophobicContact CB-CD1 3.92Å
16E85Confident74.3Confident109 Ų10979.2 Ų79.251%0.50947%0.468SS..Hα-helixtrans-63.1-40.3174-73.6-173.5-176.200112.2T12 H19 R20T12-E16 PolarHBondContact O-N 3.05Å; T12-E16 VanDerWaalsContact O-N 3.09Å; E16-H19 PolarHBondContact O-N 3.14Å; E16-R20 WeakPolarHBondContact O-CG 3.36Å; E16-R20 PolarHBondContact O-N 2.87Å; E16-R20 IonicContact OE2-NH2 3.89Å
17L88.8Confident77.2Confident72 Ų7278.5 Ų78.538%0.37744%0.444SS..Hα-helixtrans-61.2-49.1176.1-179.563000111.1G13 L14 A15 H19 R20 E21G13-L17 WeakPolarHBondContact O-CB 3.49Å; G13-L17 PolarHBondContact O-N 3.29Å; G13-L17 VanDerWaalsContact O-N 3.07Å; L14-L17 PolarHBondContact O-N 2.79Å; A15-L17 VanDerWaalsContact C-N 3.34Å; L17-H19 PolarHBondContact O-N 3.16Å; L17-R20 PolarHBondContact O-N 3.29Å; L17-R20 VanDerWaalsContact O-N 3.12Å; L17-E21 HydrophobicContact CD1-CG 4.35Å; L17-E21 HydrophobicContact CG-CG 4.48Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 3.29Å
18A88.2Confident79.7Confident0 Ų077.3 Ų77.30%043%0.433CS..Hα-helixtrans-59.9-36.4178.600000112.1L14 A15 Y22 H33 L50L14-A18 PolarHBondContact O-N 3.09Å; A15-A18 PolarHBondContact O-N 2.81Å; A18-Y22 WeakPolarHBondContact O-CB 3.44Å; A18-Y22 PolarHBondContact O-N 3.14Å; A18-H33 HydrophobicContact CB-CB 4.01Å; A18-L50 HydrophobicContact CB-CD2 4.14Å
19H87.6Confident81.9Confident90 Ų9071 Ų7142%0.41740%0.395SS..Hα-helixtrans-68.9-40.7176-157.471.5000112.3A15 E16 L17 Y22 Q23 L50A15-H19 PolarHBondContact O-N 3.14Å; E16-H19 PolarHBondContact O-N 3.14Å; L17-H19 PolarHBondContact O-N 3.16Å; H19-Y22 PolarHBondContact O-N 2.9Å; H19-Q23 PolarHBondContact CD2-NE2 3.44Å; H19-Q23 PolarHBondContact NE2-NE2 2.79Å; H19-Q23 VanDerWaalsContact NE2-NE2 3.12Å; H19-Q23 WeakPolarHBondContact O-CG 3.39Å; H19-Q23 PolarHBondContact O-N 3.4Å; H19-L50 HydrophobicContact CB-CD2 4.44Å
20R88.9Confident83.9Confident165 Ų16567.2 Ų67.262%0.62336%0.364SS*.Hα-helixtrans-64.5-41174.8-73.5-176.7-166169.410112.1E16 L17 Q23 A24E16-R20 WeakPolarHBondContact O-CG 3.36Å; E16-R20 PolarHBondContact O-N 2.87Å; E16-R20 IonicContact OE2-NH2 3.89Å; L17-R20 PolarHBondContact O-N 3.29Å; L17-R20 VanDerWaalsContact O-N 3.12Å; R20-Q23 PolarHBondContact O-N 3.23Å; R20-A24 WeakPolarHBondContact O-CB 3.03Å; R20-A24 PolarHBondContact O-N 3.19Å
21E90.5Very high85.5Confident32 Ų3263.3 Ų63.315%0.1534%0.343CS..Hα-helixtrans-63.8-42176.6-71.7171.6164.800111.5L17 Q23 A24 G25 D26 A29 A30 H33L17-E21 HydrophobicContact CD1-CG 4.35Å; L17-E21 HydrophobicContact CG-CG 4.48Å; L17-E21 WeakPolarHBondContact O-CG 3.49Å; L17-E21 PolarHBondContact O-N 3.29Å; E21-Q23 PolarHBondContact O-N 2.91Å; E21-A24 PolarHBondContact O-N 3Å; E21-G25 PolarHBondContact O-N 3.34Å; E21-G25 VanDerWaalsContact O-N 3.15Å; E21-D26 PolarHBondContact O-N 3.04Å; E21-A29 HydrophobicContact CG-CB 4.31Å; E21-A30 HydrophobicContact CB-CB 3.86Å; E21-A30 WeakPolarHBondContact OE2-CA 3.13Å; E21-A30 PolarHBondContact OE2-N 2.87Å; E21-H33 VanDerWaalsContact CD-ND1 3.29Å; E21-H33 IonicContact OE1-CE1 3.09Å; E21-H33 PolarHBondContact OE1-CE1 3.49Å; E21-H33 IonicContact OE1-ND1 2.69Å; E21-H33 PolarHBondContact OE1-ND1 3.48Å; E21-H33 VanDerWaalsContact OE1-ND1 3.12Å; E21-H33 IonicContact OE2-CE1 3.55Å; E21-H33 IonicContact OE2-CG 2.8Å; E21-H33 IonicContact OE2-ND1 3.9Å; E21-H33 PolarHBondContact OE2-ND1 3.39Å
22Y90.7Very high86.7Confident53 Ų5368.7 Ų68.721%0.20836%0.356CS..Hα-helixtrans-59.9-45.9172.6174.1-99.6000112A18 H19 A24 G25 F27 L50 I54 Q57A18-Y22 WeakPolarHBondContact O-CB 3.44Å; A18-Y22 PolarHBondContact O-N 3.14Å; H19-Y22 PolarHBondContact O-N 2.9Å; Y22-A24 VanDerWaalsContact C-N 3.27Å; Y22-A24 PolarHBondContact O-N 3.18Å; Y22-G25 PolarHBondContact O-N 2.71Å; Y22-G25 VanDerWaalsContact O-N 3.09Å; Y22-F27 AromaticContact CD2-CD1 3.84Å; Y22-F27 HydrophobicContact CD2-CD1 3.84Å; Y22-F27 AromaticContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CE2-CD1 4.16Å; Y22-F27 AromaticContact CE2-CE1 3.79Å; Y22-F27 HydrophobicContact CE2-CE1 3.79Å; Y22-L50 HydrophobicContact CD1-CD1 3.98Å; Y22-L50 HydrophobicContact CD2-CD1 4.15Å; Y22-L50 HydrophobicContact CG-CD1 3.73Å; Y22-I54 HydrophobicContact CD2-CG1 3.56Å; Y22-I54 HydrophobicContact CE2-CG1 4.17Å; Y22-I54 HydrophobicContact CG-CG1 4.44Å; Y22-Q57 HydrophobicContact CE2-CG 3.93Å
23Q88.1Confident87.8Confident135 Ų13566.1 Ų66.163%0.63134%0.338SS*.Hα-helixtrans-64.7-31.1177.2-72.2178.9-4.100112.8H19 R20 E21 G25H19-Q23 PolarHBondContact CD2-NE2 3.44Å; H19-Q23 PolarHBondContact NE2-NE2 2.79Å; H19-Q23 VanDerWaalsContact NE2-NE2 3.12Å; H19-Q23 WeakPolarHBondContact O-CG 3.39Å; H19-Q23 PolarHBondContact O-N 3.4Å; R20-Q23 PolarHBondContact O-N 3.23Å; E21-Q23 PolarHBondContact O-N 2.91Å; Q23-G25 VanDerWaalsContact C-N 3.25Å; Q23-G25 PolarHBondContact O-N 2.6Å
24A88Confident88.3Confident85 Ų8564.7 Ų64.770%0.70232%0.323SS*.THydrogen-bonded Turntrans-78.1-6.9174.900000113.6R20 E21 Y22 D26R20-A24 WeakPolarHBondContact O-CB 3.03Å; R20-A24 PolarHBondContact O-N 3.19Å; E21-A24 PolarHBondContact O-N 3Å; Y22-A24 VanDerWaalsContact C-N 3.27Å; Y22-A24 PolarHBondContact O-N 3.18Å; A24-D26 VanDerWaalsContact C-N 3.34Å
25G85Confident88.7Confident38 Ų3865 Ų6539%0.39232%0.324SS..THydrogen-bonded Turntrans81.56.4-177.900000114.7E21 Y22 Q23 F27E21-G25 PolarHBondContact O-N 3.34Å; E21-G25 VanDerWaalsContact O-N 3.15Å; Y22-G25 PolarHBondContact O-N 2.71Å; Y22-G25 VanDerWaalsContact O-N 3.09Å; Q23-G25 VanDerWaalsContact C-N 3.25Å; Q23-G25 PolarHBondContact O-N 2.6Å; G25-F27 VanDerWaalsContact C-N 3.28Å; G25-F27 WeakPolarHBondContact O-CD2 3.26Å; G25-F27 PolarHBondContact O-N 3.24Å
26D90.3Very high89.1Confident81 Ų8167.6 Ų67.643%0.43333%0.33SS..  trans-84.375.1173.7-168.8-16.1000110.2E21 A24 E28 A29 A30E21-D26 PolarHBondContact O-N 3.04Å; A24-D26 VanDerWaalsContact C-N 3.34Å; D26-E28 PolarHBondContact O-N 2.79Å; D26-E28 PolarHBondContact OD1-N 3.17Å; D26-A29 HydrophobicContact CB-CB 4.41Å; D26-A29 WeakPolarHBondContact OD1-CB 3.21Å; D26-A29 PolarHBondContact OD1-N 3.17Å; D26-A29 VanDerWaalsContact OD1-N 3.08Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 3.15Å; D26-A30 VanDerWaalsContact O-N 3.09Å
27F90.4Very high89.1Confident57 Ų5762.6 Ų62.625%0.2531%0.307CS..Hα-helixtrans-65.5-24.7-176-58-53.3000113.6Y22 G25 E31 I54 Q57 C58Y22-F27 AromaticContact CD2-CD1 3.84Å; Y22-F27 HydrophobicContact CD2-CD1 3.84Å; Y22-F27 AromaticContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CD2-CE1 3.77Å; Y22-F27 HydrophobicContact CE2-CD1 4.16Å; Y22-F27 AromaticContact CE2-CE1 3.79Å; Y22-F27 HydrophobicContact CE2-CE1 3.79Å; G25-F27 VanDerWaalsContact C-N 3.28Å; G25-F27 WeakPolarHBondContact O-CD2 3.26Å; G25-F27 PolarHBondContact O-N 3.24Å; F27-E31 VanDerWaalsContact O-CB 3.29Å; F27-E31 WeakPolarHBondContact O-CB 3.25Å; F27-E31 PolarHBondContact O-N 3.43Å; F27-I54 HydrophobicContact CB-CG2 4.15Å; F27-I54 WeakPolarHBondContact O-CG2 3.39Å; F27-Q57 HydrophobicContact CD1-CB 4.13Å; F27-Q57 HydrophobicContact CD2-CB 4.33Å; F27-Q57 HydrophobicContact CE1-CB 3.72Å; F27-Q57 HydrophobicContact CE1-CG 3.83Å; F27-Q57 HydrophobicContact CE2-CB 3.92Å; F27-Q57 HydrophobicContact CG-CB 4.43Å; F27-Q57 HydrophobicContact CZ-CB 3.6Å; F27-Q57 HydrophobicContact CZ-CG 3.88Å; F27-C58 VanDerWaalsContact CB-SG 3.56Å
28E88.6Confident89.1Confident143 Ų14362.5 Ų62.567%0.66830%0.301SS*.Hα-helixtrans-80.5-40.5-177.3-170.3174-172.100111.8D26 R32D26-E28 PolarHBondContact O-N 2.79Å; D26-E28 PolarHBondContact OD1-N 3.17Å; E28-R32 PolarHBondContact O-N 3.36Å
29A86.9Confident89Confident5 Ų572.4 Ų72.44%0.04134%0.339CS..Hα-helixtrans-64.8-46.1169.900000111E21 D26 E31 R32 H33E21-A29 HydrophobicContact CG-CB 4.31Å; D26-A29 HydrophobicContact CB-CB 4.41Å; D26-A29 WeakPolarHBondContact OD1-CB 3.21Å; D26-A29 PolarHBondContact OD1-N 3.17Å; D26-A29 VanDerWaalsContact OD1-N 3.08Å; A29-E31 VanDerWaalsContact C-N 3.33Å; A29-E31 PolarHBondContact O-N 3.04Å; A29-R32 PolarHBondContact O-N 3.46Å; A29-R32 VanDerWaalsContact O-N 3.11Å; A29-H33 PolarHBondContact O-N 2.9Å; A29-H33 PolarHBondContact O-ND1 3.48Å
30A90.5Very high88.9Confident0 Ų073 Ų730%034%0.342CS..Hα-helixtrans-60-41.7178.700000112.1E21 D26 C34 I54E21-A30 HydrophobicContact CB-CB 3.86Å; E21-A30 WeakPolarHBondContact OE2-CA 3.13Å; E21-A30 PolarHBondContact OE2-N 2.87Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 3.15Å; D26-A30 VanDerWaalsContact O-N 3.09Å; A30-C34 VanDerWaalsContact O-CB 3.26Å; A30-C34 WeakPolarHBondContact O-CB 3.4Å; A30-C34 PolarHBondContact O-N 3.08Å; A30-C34 PolarHBondContact O-SG 3.42Å; A30-I54 HydrophobicContact CB-CD1 3.68Å; A30-I54 HydrophobicContact CB-CG1 4.25Å
31E92Very high88.7Confident27 Ų2768.8 Ų68.813%0.12633%0.329CS..Hα-helixtrans-61.8-45.3175.4-175.2-179.4177.100111.2F27 A29 C34 M35 L51 I54 H55 R60 R63F27-E31 VanDerWaalsContact O-CB 3.29Å; F27-E31 WeakPolarHBondContact O-CB 3.25Å; F27-E31 PolarHBondContact O-N 3.43Å; A29-E31 VanDerWaalsContact C-N 3.33Å; A29-E31 PolarHBondContact O-N 3.04Å; E31-C34 PolarHBondContact O-N 2.87Å; E31-M35 HydrophobicContact CG-CG 4.18Å; E31-M35 VanDerWaalsContact O-CB 3.28Å; E31-M35 WeakPolarHBondContact O-CB 3.41Å; E31-M35 VanDerWaalsContact O-CG 3.24Å; E31-M35 WeakPolarHBondContact O-CG 3.38Å; E31-M35 PolarHBondContact O-N 3.08Å; E31-L51 HydrophobicContact CG-CD2 4.43Å; E31-I54 HydrophobicContact CB-CG2 4.05Å; E31-H55 IonicContact OE1-CE1 3.15Å; E31-H55 PolarHBondContact OE1-CE1 2.88Å; E31-H55 IonicContact OE1-NE2 3.35Å; E31-H55 IonicContact OE2-CE1 3.32Å; E31-R60 IonicContact OE1-CZ 3.34Å; E31-R60 IonicContact OE1-NH1 3.91Å; E31-R60 PolarHBondContact OE1-NH1 3.35Å; E31-R60 VanDerWaalsContact OE1-NH1 3.14Å; E31-R60 IonicContact OE2-CZ 3.28Å; E31-R60 IonicContact OE2-NH1 3.3Å; E31-R60 PolarHBondContact OE2-NH1 3.33Å; E31-R60 IonicContact OE2-NH2 3.12Å; E31-R60 PolarHBondContact OE2-NH2 3.02Å; E31-R63 IonicContact OE1-NH1 2.93Å; E31-R63 PolarHBondContact OE1-NH1 3.46Å
32R90.7Very high88.5Confident156 Ų15670.6 Ų70.659%0.58934%0.344SS*.Hα-helixtrans-60.9-47.6-179.8-82.4-175.5-70.6136.4-2.7111.7E28 A29 M35 Q36E28-R32 PolarHBondContact O-N 3.36Å; A29-R32 PolarHBondContact O-N 3.46Å; A29-R32 VanDerWaalsContact O-N 3.11Å; R32-M35 PolarHBondContact O-N 3.05Å; R32-Q36 PolarHBondContact O-N 3.3Å
33H90.1Very high88.2Confident38 Ų3873 Ų7318%0.17636%0.36CS..Hα-helixtrans-68.2-40.4179.1-65.2139.5000112.1L14 A18 E21 A29 M35 Q36 L37L14-H33 HydrophobicContact CD1-CB 4.38Å; L14-H33 HydrophobicContact CG-CB 4.43Å; A18-H33 HydrophobicContact CB-CB 4.01Å; E21-H33 VanDerWaalsContact CD-ND1 3.29Å; E21-H33 IonicContact OE1-CE1 3.09Å; E21-H33 PolarHBondContact OE1-CE1 3.49Å; E21-H33 IonicContact OE1-ND1 2.69Å; E21-H33 PolarHBondContact OE1-ND1 3.48Å; E21-H33 VanDerWaalsContact OE1-ND1 3.12Å; E21-H33 IonicContact OE2-CE1 3.55Å; E21-H33 IonicContact OE2-CG 2.8Å; E21-H33 IonicContact OE2-ND1 3.9Å; E21-H33 PolarHBondContact OE2-ND1 3.39Å; A29-H33 PolarHBondContact O-N 2.9Å; A29-H33 PolarHBondContact O-ND1 3.48Å; H33-M35 PolarHBondContact O-N 3.33Å; H33-Q36 WeakPolarHBondContact O-CB 3.35Å; H33-Q36 PolarHBondContact O-N 2.95Å; H33-L37 WeakPolarHBondContact O-CG 3.47Å; H33-L37 PolarHBondContact O-N 3.33Å
34C90.3Very high88.3Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-63.3-40.7173.9-72.40000112.5A30 E31 Q36 L37 W38 V47 L50 L51A30-C34 VanDerWaalsContact O-CB 3.26Å; A30-C34 WeakPolarHBondContact O-CB 3.4Å; A30-C34 PolarHBondContact O-N 3.08Å; A30-C34 PolarHBondContact O-SG 3.42Å; E31-C34 PolarHBondContact O-N 2.87Å; C34-Q36 VanDerWaalsContact C-N 3.3Å; C34-Q36 PolarHBondContact O-N 3.2Å; C34-L37 PolarHBondContact O-N 2.63Å; C34-W38 VanDerWaalsContact O-CB 3.31Å; C34-W38 WeakPolarHBondContact O-CB 3.25Å; C34-W38 PolarHBondContact O-N 3.34Å; C34-V47 HydrophobicContact CB-CG1 4.1Å; C34-V47 VanDerWaalsContact O-CG1 3.24Å; C34-V47 WeakPolarHBondContact O-CG1 3.19Å; C34-L50 WeakPolarHBondContact SG-CD2 3.35Å; C34-L51 HydrophobicContact CB-CD1 4.39Å; C34-L51 HydrophobicContact CB-CD2 3.46Å; C34-L51 VanDerWaalsContact CB-CD2 3.46Å; C34-L51 HydrophobicContact CB-CG 3.69Å
35M90.5Very high88.3Confident42 Ų4266.6 Ų66.621%0.20732%0.32CS..Hα-helixtrans-66-34.2176.3-77.3-67.3-131.200111.9E31 R32 H33 W38 R39 L51 F67E31-M35 HydrophobicContact CG-CG 4.18Å; E31-M35 VanDerWaalsContact O-CB 3.28Å; E31-M35 WeakPolarHBondContact O-CB 3.41Å; E31-M35 VanDerWaalsContact O-CG 3.24Å; E31-M35 WeakPolarHBondContact O-CG 3.38Å; E31-M35 PolarHBondContact O-N 3.08Å; R32-M35 PolarHBondContact O-N 3.05Å; H33-M35 PolarHBondContact O-N 3.33Å; M35-W38 HydrophobicContact SD-CE3 3.68Å; M35-W38 HydrophobicContact SD-CZ3 4.08Å; M35-R39 VanDerWaalsContact O-CG 3.31Å; M35-R39 WeakPolarHBondContact O-CG 3.34Å; M35-R39 PolarHBondContact O-N 3.14Å; M35-R39 VanDerWaalsContact O-N 3.1Å; M35-L51 HydrophobicContact CG-CD2 4.08Å; M35-L51 HydrophobicContact SD-CD1 4.32Å; M35-L51 HydrophobicContact SD-CD2 4.25Å; M35-F67 HydrophobicContact CE-CZ 4.08Å; M35-F67 HydrophobicContact SD-CZ 4.17Å
36Q89Confident88.4Confident92 Ų9266.8 Ų66.843%0.4332%0.322SS..Hα-helixtrans-66-45.8173.1-178.2175.2-800111.4L14 R32 H33 C34 R39 Q40L14-Q36 HydrophobicContact CD2-CB 4.42Å; L14-Q36 HydrophobicContact CD2-CG 4.14Å; R32-Q36 PolarHBondContact O-N 3.3Å; H33-Q36 WeakPolarHBondContact O-CB 3.35Å; H33-Q36 PolarHBondContact O-N 2.95Å; C34-Q36 VanDerWaalsContact C-N 3.3Å; C34-Q36 PolarHBondContact O-N 3.2Å; Q36-R39 PolarHBondContact O-N 3.36Å; Q36-Q40 WeakPolarHBondContact O-CG 3.45Å; Q36-Q40 PolarHBondContact O-N 3.34Å
37L86.8Confident88.4Confident4 Ų463.2 Ų63.22%0.02130%0.303CS..Hα-helixtrans-60.4-45.7174.4-76166.8000111.7L14 A15 H33 C34 R39 Q40 E41 V47L14-L37 HydrophobicContact CB-CD1 4.43Å; L14-L37 HydrophobicContact CB-CD2 4.03Å; L14-L37 HydrophobicContact CB-CG 4.34Å; L14-L37 HydrophobicContact CD2-CD1 4.49Å; L14-L37 HydrophobicContact CD2-CD2 3.86Å; L14-L37 HydrophobicContact CD2-CG 3.76Å; L14-L37 HydrophobicContact CG-CD1 4.31Å; L14-L37 HydrophobicContact CG-CD2 4.26Å; L14-L37 HydrophobicContact CG-CG 4.1Å; A15-L37 HydrophobicContact CB-CD1 3.92Å; H33-L37 WeakPolarHBondContact O-CG 3.47Å; H33-L37 PolarHBondContact O-N 3.33Å; C34-L37 PolarHBondContact O-N 2.63Å; L37-R39 VanDerWaalsContact C-N 3.28Å; L37-R39 PolarHBondContact O-N 3.21Å; L37-Q40 PolarHBondContact O-N 2.63Å; L37-E41 PolarHBondContact O-N 3.43Å; L37-V47 HydrophobicContact CB-CG1 4.09Å; L37-V47 HydrophobicContact CB-CG2 3.88Å; L37-V47 HydrophobicContact CD1-CG2 4.12Å
38W88.1Confident88.5Confident69 Ų6960.7 Ų60.726%0.26129%0.292SS..Hα-helixtrans-64-32.6-179.4-177.250.2000112.7C34 M35 Q40 E41 P42 V47 L51 F67 L70C34-W38 VanDerWaalsContact O-CB 3.31Å; C34-W38 WeakPolarHBondContact O-CB 3.25Å; C34-W38 PolarHBondContact O-N 3.34Å; M35-W38 HydrophobicContact SD-CE3 3.68Å; M35-W38 HydrophobicContact SD-CZ3 4.08Å; W38-Q40 VanDerWaalsContact C-N 3.28Å; W38-Q40 PolarHBondContact O-N 2.8Å; W38-E41 CarbonylContact O-C 3.32Å; W38-P42 PolarHBondContact NE1-O 2.8Å; W38-P42 VanDerWaalsContact NE1-O 3.13Å; W38-P42 WeakPolarHBondContact O-CA 3.29Å; W38-P42 VanDerWaalsContact O-N 3.12Å; W38-V47 HydrophobicContact CB-CG1 3.93Å; W38-L51 HydrophobicContact CB-CD1 4.13Å; W38-L51 HydrophobicContact CD2-CD1 4.48Å; W38-L51 HydrophobicContact CG-CD1 4.26Å; W38-F67 HydrophobicContact CD2-CE1 4.25Å; W38-F67 HydrophobicContact CE3-CE1 4Å; W38-F67 HydrophobicContact CE3-CZ 4.49Å; W38-F67 AromaticContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CZ2-CE1 4.13Å; W38-F67 AromaticContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CZ 4.16Å; W38-L70 HydrophobicContact CH2-CD1 4.48Å; W38-L70 HydrophobicContact CZ2-CD1 3.89Å
39R87Confident88.7Confident208 Ų20855.2 Ų55.279%0.78527%0.267SS*.Hα-helixtrans-67.5-29172.9-75.1174.2-173.3178.33.7113.1M35 Q36 L37M35-R39 VanDerWaalsContact O-CG 3.31Å; M35-R39 WeakPolarHBondContact O-CG 3.34Å; M35-R39 PolarHBondContact O-N 3.14Å; M35-R39 VanDerWaalsContact O-N 3.1Å; Q36-R39 PolarHBondContact O-N 3.36Å; L37-R39 VanDerWaalsContact C-N 3.28Å; L37-R39 PolarHBondContact O-N 3.21Å
40Q84.9Confident89Confident104 Ų10456 Ų5649%0.48627%0.27SS..Hα-helixtrans-85.2-38.9178.8-66.2176.6-2.100111.2Q36 L37 W38Q36-Q40 WeakPolarHBondContact O-CG 3.45Å; Q36-Q40 PolarHBondContact O-N 3.34Å; L37-Q40 PolarHBondContact O-N 2.63Å; W38-Q40 VanDerWaalsContact C-N 3.28Å; W38-Q40 PolarHBondContact O-N 2.8Å
41E84.9Confident89.1Confident75 Ų7556 Ų5635%0.3527%0.27SS..  trans-131.881.5-178.9-63.1176.8-172.400110L37 W38 D43 N44L37-E41 PolarHBondContact O-N 3.43Å; W38-E41 CarbonylContact O-C 3.32Å; E41-D43 PolarHBondContact O-N 2.88Å; E41-D43 VanDerWaalsContact O-N 3.1Å; E41-N44 HydrophobicContact CB-CB 3.93Å; E41-N44 WeakPolarHBondContact O-CB 3.47Å; E41-N44 PolarHBondContact O-N 2.84Å; E41-N44 PolarHBondContact OE2-ND2 2.78Å
42P85.7Confident89.2Confident71 Ų7154.7 Ų54.746%0.46126%0.264SS..THydrogen-bonded Turntrans-60.1-24.6-177.1-25.235000114.2W38W38-P42 PolarHBondContact NE1-O 2.8Å; W38-P42 VanDerWaalsContact NE1-O 3.13Å; W38-P42 WeakPolarHBondContact O-CA 3.29Å; W38-P42 VanDerWaalsContact O-N 3.12Å
43D85.1Confident89.3Confident103 Ų10348.4 Ų48.455%0.55124%0.244SC*.THydrogen-bonded Turntrans-94.21.9-173.9-69.2-7.5000113.1E41 T45 Q74E41-D43 PolarHBondContact O-N 2.88Å; E41-D43 VanDerWaalsContact O-N 3.1Å; D43-T45 PolarHBondContact O-N 3.22Å; D43-Q74 HydrophobicContact CB-CG 4.25Å; D43-Q74 VanDerWaalsContact CB-NE2 3.28Å; D43-Q74 WeakPolarHBondContact O-CG 3.44Å; D43-Q74 PolarHBondContact OD2-NE2 3.37Å
44N89Confident89.4Confident50 Ų5046.6 Ų46.627%0.26724%0.236SC..  trans-74.4100.3-179.1-170.5-37.9000111E41 G46 V47 L48E41-N44 HydrophobicContact CB-CB 3.93Å; E41-N44 WeakPolarHBondContact O-CB 3.47Å; E41-N44 PolarHBondContact O-N 2.84Å; E41-N44 PolarHBondContact OE2-ND2 2.78Å; N44-G46 PolarHBondContact O-N 2.84Å; N44-G46 PolarHBondContact OD1-N 2.98Å; N44-G46 VanDerWaalsContact OD1-N 3.1Å; N44-V47 HydrophobicContact CB-CB 4.26Å; N44-V47 HydrophobicContact CB-CG2 4.06Å; N44-V47 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact OD1-N 2.8Å; N44-L48 PolarHBondContact O-N 2.96Å; N44-L48 VanDerWaalsContact O-N 3.12Å
45T88.4Confident89.6Confident36 Ų3646.6 Ų46.622%0.22124%0.236CC..Hα-helixtrans-62.5-29.6-177.653.60000113.3D43 L48 L49 Q74 N75D43-T45 PolarHBondContact O-N 3.22Å; T45-L48 PolarHBondContact O-N 3.15Å; T45-L49 WeakPolarHBondContact O-CG 3.35Å; T45-L49 PolarHBondContact O-N 3.28Å; T45-Q74 HydrophobicContact CG2-CB 4Å; T45-Q74 HydrophobicContact CG2-CG 3.92Å; T45-N75 HydrophobicContact CG2-CB 3.91Å
46G87.5Confident89.7Confident42 Ų4246.8 Ų46.843%0.43324%0.235SC..Hα-helixtrans-65.5-41.9176.500000112N44 L50N44-G46 PolarHBondContact O-N 2.84Å; N44-G46 PolarHBondContact OD1-N 2.98Å; N44-G46 VanDerWaalsContact OD1-N 3.1Å; G46-L50 WeakPolarHBondContact O-CB 3.44Å; G46-L50 PolarHBondContact O-N 3.29Å; G46-L50 VanDerWaalsContact O-N 3.08Å
47V90.2Very high89.8Confident6 Ų646.9 Ų46.94%0.03624%0.236CC..Hα-helixtrans-67.8-41.4175.71780000111.1C34 L37 W38 N44 L49 L50 L51C34-V47 HydrophobicContact CB-CG1 4.1Å; C34-V47 VanDerWaalsContact O-CG1 3.24Å; C34-V47 WeakPolarHBondContact O-CG1 3.19Å; L37-V47 HydrophobicContact CB-CG1 4.09Å; L37-V47 HydrophobicContact CB-CG2 3.88Å; L37-V47 HydrophobicContact CD1-CG2 4.12Å; W38-V47 HydrophobicContact CB-CG1 3.93Å; N44-V47 HydrophobicContact CB-CB 4.26Å; N44-V47 HydrophobicContact CB-CG2 4.06Å; N44-V47 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact OD1-N 2.8Å; V47-L49 PolarHBondContact O-N 2.99Å; V47-L50 PolarHBondContact O-N 3.47Å; V47-L51 HydrophobicContact CG1-CD1 4.1Å; V47-L51 HydrophobicContact CG1-CG 4.46Å; V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 3.21Å
48L93.4Very high90Very high3 Ų348.9 Ų48.92%0.01625%0.25CS..Hα-helixtrans-62.4-42.2177.1-68.4171.8000112.4N44 T45 S52 F67 L70 A71N44-L48 PolarHBondContact O-N 2.96Å; N44-L48 VanDerWaalsContact O-N 3.12Å; T45-L48 PolarHBondContact O-N 3.15Å; L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 3.38Å; L48-F67 HydrophobicContact CD2-CD1 3.88Å; L48-L70 HydrophobicContact CD1-CB 4.22Å; L48-L70 HydrophobicContact CD2-CB 4.06Å; L48-L70 HydrophobicContact CD2-CD1 4.33Å; L48-A71 HydrophobicContact CB-CB 3.84Å; L48-A71 HydrophobicContact CD1-CB 4.36Å
49L92.1Very high90.1Very high28 Ų2855.7 Ų55.715%0.14728%0.276CS..Hα-helixtrans-61.4-45.8173.6-81179.6000111.9T45 V47 S52 S53 L78 E80 A81T45-L49 WeakPolarHBondContact O-CG 3.35Å; T45-L49 PolarHBondContact O-N 3.28Å; V47-L49 PolarHBondContact O-N 2.99Å; L49-S52 WeakPolarHBondContact O-CB 3.42Å; L49-S52 PolarHBondContact O-N 3.4Å; L49-S53 PolarHBondContact O-N 2.96Å; L49-S53 PolarHBondContact O-OG 2.85Å; L49-L78 HydrophobicContact CD1-CD2 3.52Å; L49-L78 HydrophobicContact CD1-CG 4.26Å; L49-L78 HydrophobicContact CD2-CD2 3.68Å; L49-L78 HydrophobicContact CG-CD2 3.55Å; L49-E80 HydrophobicContact CD1-CB 3.84Å; L49-E80 HydrophobicContact CD2-CB 3.9Å; L49-A81 HydrophobicContact CD2-CB 3.77Å
50L92Very high90.4Very high21 Ų2149.7 Ų49.711%0.1125%0.253CS..Hα-helixtrans-65-42.1-179.8-171.655.1000111.4A18 H19 Y22 C34 G46 V47 S52 S53 I54A18-L50 HydrophobicContact CB-CD2 4.14Å; H19-L50 HydrophobicContact CB-CD2 4.44Å; Y22-L50 HydrophobicContact CD1-CD1 3.98Å; Y22-L50 HydrophobicContact CD2-CD1 4.15Å; Y22-L50 HydrophobicContact CG-CD1 3.73Å; C34-L50 WeakPolarHBondContact SG-CD2 3.35Å; G46-L50 WeakPolarHBondContact O-CB 3.44Å; G46-L50 PolarHBondContact O-N 3.29Å; G46-L50 VanDerWaalsContact O-N 3.08Å; V47-L50 PolarHBondContact O-N 3.47Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3Å; L50-S53 PolarHBondContact O-N 2.84Å; L50-I54 HydrophobicContact CD1-CD1 4.37Å; L50-I54 HydrophobicContact CD1-CG1 4.48Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 WeakPolarHBondContact O-CB 3.13Å; L50-I54 WeakPolarHBondContact O-CD1 3.26Å; L50-I54 VanDerWaalsContact O-CG1 3.22Å; L50-I54 WeakPolarHBondContact O-CG1 3.37Å; L50-I54 PolarHBondContact O-N 3.43Å
51L93.5Very high90.7Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-58.7-43.2171.6-77169.5000111.8E31 C34 M35 W38 V47 S53 I54 H55 F67E31-L51 HydrophobicContact CG-CD2 4.43Å; C34-L51 HydrophobicContact CB-CD1 4.39Å; C34-L51 HydrophobicContact CB-CD2 3.46Å; C34-L51 VanDerWaalsContact CB-CD2 3.46Å; C34-L51 HydrophobicContact CB-CG 3.69Å; M35-L51 HydrophobicContact CG-CD2 4.08Å; M35-L51 HydrophobicContact SD-CD1 4.32Å; M35-L51 HydrophobicContact SD-CD2 4.25Å; W38-L51 HydrophobicContact CB-CD1 4.13Å; W38-L51 HydrophobicContact CD2-CD1 4.48Å; W38-L51 HydrophobicContact CG-CD1 4.26Å; V47-L51 HydrophobicContact CG1-CD1 4.1Å; V47-L51 HydrophobicContact CG1-CG 4.46Å; V47-L51 WeakPolarHBondContact O-CB 3.17Å; V47-L51 WeakPolarHBondContact O-CG 3.49Å; V47-L51 PolarHBondContact O-N 3.21Å; L51-S53 PolarHBondContact O-N 2.86Å; L51-I54 PolarHBondContact O-N 3.1Å; L51-H55 WeakPolarHBondContact O-CB 3.06Å; L51-H55 PolarHBondContact O-CD2 2.96Å; L51-H55 PolarHBondContact O-N 3.49Å; L51-F67 HydrophobicContact CB-CB 4.22Å; L51-F67 HydrophobicContact CB-CD1 4.16Å; L51-F67 HydrophobicContact CB-CD2 4.01Å; L51-F67 HydrophobicContact CB-CE2 4.42Å; L51-F67 HydrophobicContact CB-CG 3.87Å; L51-F67 HydrophobicContact CD1-CD1 3.95Å; L51-F67 HydrophobicContact CD1-CE1 3.76Å; L51-F67 HydrophobicContact CD1-CG 4.49Å; L51-F67 HydrophobicContact CD1-CZ 4.15Å
52S93.8Very high91.1Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-59.1-46.9175.8-178.70000111.9L48 L49 L50 H55 F56 S64 S68L48-S52 WeakPolarHBondContact O-CB 3.3Å; L48-S52 PolarHBondContact O-N 3.38Å; L49-S52 WeakPolarHBondContact O-CB 3.42Å; L49-S52 PolarHBondContact O-N 3.4Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3Å; S52-H55 PolarHBondContact O-N 3.18Å; S52-F56 WeakPolarHBondContact O-CB 3.39Å; S52-F56 PolarHBondContact O-N 3.13Å; S52-S64 WeakPolarHBondContact O-CB 3.24Å; S52-S64 PolarHBondContact O-OG 3.26Å; S52-S64 PolarHBondContact OG-O 2.98Å; S52-S64 VanDerWaalsContact OG-O 3.12Å; S52-S64 PolarHBondContact OG-OG 3.45Å; S52-S68 PolarHBondContact OG-OG 3.07Å
53S92.9Very high91.4Very high24 Ų2451.3 Ų51.317%0.16825%0.254CS..Hα-helixtrans-66.5-43.3179.2-61.40000112.2L49 L50 L51 H55 F56 Q57 N84L49-S53 PolarHBondContact O-N 2.96Å; L49-S53 PolarHBondContact O-OG 2.85Å; L50-S53 PolarHBondContact O-N 2.84Å; L51-S53 PolarHBondContact O-N 2.86Å; S53-H55 PolarHBondContact O-N 2.71Å; S53-F56 WeakPolarHBondContact O-CB 3.42Å; S53-F56 PolarHBondContact O-N 3.22Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 3.23Å; S53-N84 PolarHBondContact OG-ND2 3.36Å
54I92.9Very high91.8Very high0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-57.3-50.2174.9-71.6161.3000110.4Y22 F27 A30 E31 L50 L51 F56 Q57 C58Y22-I54 HydrophobicContact CD2-CG1 3.56Å; Y22-I54 HydrophobicContact CE2-CG1 4.17Å; Y22-I54 HydrophobicContact CG-CG1 4.44Å; F27-I54 HydrophobicContact CB-CG2 4.15Å; F27-I54 WeakPolarHBondContact O-CG2 3.39Å; A30-I54 HydrophobicContact CB-CD1 3.68Å; A30-I54 HydrophobicContact CB-CG1 4.25Å; E31-I54 HydrophobicContact CB-CG2 4.05Å; L50-I54 HydrophobicContact CD1-CD1 4.37Å; L50-I54 HydrophobicContact CD1-CG1 4.48Å; L50-I54 HydrophobicContact CG-CD1 3.93Å; L50-I54 WeakPolarHBondContact O-CB 3.13Å; L50-I54 WeakPolarHBondContact O-CD1 3.26Å; L50-I54 VanDerWaalsContact O-CG1 3.22Å; L50-I54 WeakPolarHBondContact O-CG1 3.37Å; L50-I54 PolarHBondContact O-N 3.43Å; L51-I54 PolarHBondContact O-N 3.1Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 3.23Å; I54-Q57 PolarHBondContact O-N 3.2Å; I54-C58 PolarHBondContact O-N 2.99Å; I54-C58 PolarHBondContact O-SG 3.19Å
55H93.7Very high92.1Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-65-33.1179.5-79.1-58.5000113.1E31 L51 S52 S53 C58 R59 R60 R63 F67E31-H55 IonicContact OE1-CE1 3.15Å; E31-H55 PolarHBondContact OE1-CE1 2.88Å; E31-H55 IonicContact OE1-NE2 3.35Å; E31-H55 IonicContact OE2-CE1 3.32Å; L51-H55 WeakPolarHBondContact O-CB 3.06Å; L51-H55 PolarHBondContact O-CD2 2.96Å; L51-H55 PolarHBondContact O-N 3.49Å; S52-H55 PolarHBondContact O-N 3.18Å; S53-H55 PolarHBondContact O-N 2.71Å; H55-C58 PolarHBondContact O-N 3.29Å; H55-R59 PolarHBondContact O-N 3.01Å; H55-R60 HydrophobicContact CB-CB 4.36Å; H55-R60 VanDerWaalsContact CE1-CZ 3.46Å; H55-R60 PolarHBondContact CE1-NH1 2.88Å; H55-R60 PolarHBondContact ND1-NE 2.91Å; H55-R60 PolarHBondContact ND1-NH2 3.34Å; H55-R60 WeakPolarHBondContact O-CA 3.45Å; H55-R60 PolarHBondContact O-N 3.44Å; H55-R63 HydrophobicContact CB-CB 4.09Å; H55-R63 VanDerWaalsContact CE1-CD 3.41Å; H55-R63 WeakPolarHBondContact CE1-CD 3.24Å; H55-F67 AromaticContact CD2-CD2 3.48Å; H55-F67 VanDerWaalsContact CD2-CD2 3.48Å; H55-F67 WeakPolarHBondContact CD2-CD2 3.4Å; H55-F67 AromaticContact CD2-CE2 3.47Å; H55-F67 VanDerWaalsContact CD2-CE2 3.47Å; H55-F67 WeakPolarHBondContact CD2-CE2 3.35Å; H55-F67 AromaticContact NE2-CD2 3.94Å; H55-F67 AromaticContact NE2-CE2 3.4Å; H55-F67 WeakPolarHBondContact NE2-CE2 3.27Å
56F92.9Very high92.3Very high46 Ų4647.8 Ų47.820%0.20223%0.232CC..Hα-helixtrans-62.9-49.6172.9-173.4-96.9000111.2S52 S53 I54 C58 R59 L61 N87 V88 E91S52-F56 WeakPolarHBondContact O-CB 3.39Å; S52-F56 PolarHBondContact O-N 3.13Å; S53-F56 WeakPolarHBondContact O-CB 3.42Å; S53-F56 PolarHBondContact O-N 3.22Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 3.23Å; F56-C58 VanDerWaalsContact C-N 3.28Å; F56-C58 PolarHBondContact O-N 3.23Å; F56-R59 WeakPolarHBondContact O-CA 3.36Å; F56-R59 PolarHBondContact O-N 3.16Å; F56-L61 HydrophobicContact CD2-CD2 3.99Å; F56-L61 HydrophobicContact CE2-CD2 4.09Å; F56-N87 HydrophobicContact CD2-CB 4.33Å; F56-N87 HydrophobicContact CE1-CB 4.5Å; F56-N87 HydrophobicContact CE2-CB 3.7Å; F56-N87 HydrophobicContact CZ-CB 3.8Å; F56-V88 HydrophobicContact CD2-CG2 3.91Å; F56-V88 HydrophobicContact CE2-CG2 4.39Å; F56-E91 HydrophobicContact CE2-CB 4.48Å; F56-E91 HydrophobicContact CE2-CG 3.7Å; F56-E91 HydrophobicContact CZ-CG 3.59Å
57Q91.8Very high92.6Very high94 Ų9446 Ų4644%0.43921%0.213SC..Hα-helixtrans-60.5-36.3177.7-66.3-59.6-21.100112.5Y22 F27 S53 I54 R59Y22-Q57 HydrophobicContact CE2-CG 3.93Å; F27-Q57 HydrophobicContact CD1-CB 4.13Å; F27-Q57 HydrophobicContact CD2-CB 4.33Å; F27-Q57 HydrophobicContact CE1-CB 3.72Å; F27-Q57 HydrophobicContact CE1-CG 3.83Å; F27-Q57 HydrophobicContact CE2-CB 3.92Å; F27-Q57 HydrophobicContact CG-CB 4.43Å; F27-Q57 HydrophobicContact CZ-CB 3.6Å; F27-Q57 HydrophobicContact CZ-CG 3.88Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 3.23Å; I54-Q57 PolarHBondContact O-N 3.2Å; Q57-R59 PolarHBondContact O-N 3.39Å
58C90.5Very high92.7Very high47 Ų4745.8 Ų45.832%0.31821%0.211SC..THydrogen-bonded Turntrans-77.68.5174-59.40000114.7F27 I54 H55 F56 R60F27-C58 VanDerWaalsContact CB-SG 3.56Å; I54-C58 PolarHBondContact O-N 2.99Å; I54-C58 PolarHBondContact O-SG 3.19Å; H55-C58 PolarHBondContact O-N 3.29Å; F56-C58 VanDerWaalsContact C-N 3.28Å; F56-C58 PolarHBondContact O-N 3.23Å; C58-R60 HydrophobicContact CB-CG 4.38Å; C58-R60 PolarHBondContact O-N 2.79Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-R60 PolarHBondContact SG-NH2 3.22Å
59R89.7Confident92.7Very high211 Ų21149.2 Ų49.280%0.79623%0.232SC*.THydrogen-bonded Turntrans55.523.8-174.2-60-165.4174.9-139.7-1.2115.2H55 F56 Q57 L61H55-R59 PolarHBondContact O-N 3.01Å; F56-R59 WeakPolarHBondContact O-CA 3.36Å; F56-R59 PolarHBondContact O-N 3.16Å; Q57-R59 PolarHBondContact O-N 3.39Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 2.89Å
60R92.9Very high92.8Very high82 Ų8250.1 Ų50.131%0.30924%0.237SC..  trans-92.266.7175.2-69.7178-73.5169.20.2109.9E31 H55 C58 D62 R63 S64E31-R60 IonicContact OE1-CZ 3.34Å; E31-R60 IonicContact OE1-NH1 3.91Å; E31-R60 PolarHBondContact OE1-NH1 3.35Å; E31-R60 VanDerWaalsContact OE1-NH1 3.14Å; E31-R60 IonicContact OE2-CZ 3.28Å; E31-R60 IonicContact OE2-NH1 3.3Å; E31-R60 PolarHBondContact OE2-NH1 3.33Å; E31-R60 IonicContact OE2-NH2 3.12Å; E31-R60 PolarHBondContact OE2-NH2 3.02Å; H55-R60 HydrophobicContact CB-CB 4.36Å; H55-R60 VanDerWaalsContact CE1-CZ 3.46Å; H55-R60 PolarHBondContact CE1-NH1 2.88Å; H55-R60 PolarHBondContact ND1-NE 2.91Å; H55-R60 PolarHBondContact ND1-NH2 3.34Å; H55-R60 WeakPolarHBondContact O-CA 3.45Å; H55-R60 PolarHBondContact O-N 3.44Å; C58-R60 HydrophobicContact CB-CG 4.38Å; C58-R60 PolarHBondContact O-N 2.79Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-R60 PolarHBondContact SG-NH2 3.22Å; R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 3.42Å; R60-R63 PolarHBondContact O-N 3.3Å; R60-S64 PolarHBondContact O-N 3.25Å; R60-S64 VanDerWaalsContact O-N 3.08Å
61L92.3Very high92.8Very high40 Ų4049.1 Ų49.121%0.20923%0.232CC..Hα-helixtrans-56.5-39.3-169.5-63.1-176.6000114F56 R59 R63 S64 A65 V88 E91 R92F56-L61 HydrophobicContact CD2-CD2 3.99Å; F56-L61 HydrophobicContact CE2-CD2 4.09Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 2.89Å; L61-R63 PolarHBondContact O-N 3.03Å; L61-S64 WeakPolarHBondContact O-CB 3.5Å; L61-S64 PolarHBondContact O-N 2.89Å; L61-A65 PolarHBondContact O-N 2.99Å; L61-V88 HydrophobicContact CB-CG1 4.01Å; L61-V88 HydrophobicContact CD2-CG1 4.43Å; L61-E91 HydrophobicContact CD1-CB 4.12Å; L61-E91 HydrophobicContact CD2-CB 4.29Å; L61-R92 HydrophobicContact CD1-CG 3.94Å
62D92.3Very high92.7Very high122 Ų12250.4 Ų50.465%0.65224%0.238SC*.Hα-helixtrans-64.4-41.2-179.9-59.7-30.4000112.6R60 H66 R92R60-D62 VanDerWaalsContact C-N 3.33Å; R60-D62 PolarHBondContact O-N 3.42Å; D62-H66 WeakPolarHBondContact O-CB 3.31Å; D62-H66 PolarHBondContact O-N 2.79Å; D62-R92 IonicContact OD1-CZ 2.71Å; D62-R92 IonicContact OD1-NH2 2.71Å; D62-R92 PolarHBondContact OD1-NH2 3.02Å
63R93.1Very high92.6Very high123 Ų12358.5 Ų58.546%0.46427%0.273SS..Hα-helixtrans-69.8-39.4175.7-73.6-164.1178.6-174.22.5111.3E31 H55 R60 L61 H66 F67E31-R63 IonicContact OE1-NH1 2.93Å; E31-R63 PolarHBondContact OE1-NH1 3.46Å; H55-R63 HydrophobicContact CB-CB 4.09Å; H55-R63 VanDerWaalsContact CE1-CD 3.41Å; H55-R63 WeakPolarHBondContact CE1-CD 3.24Å; R60-R63 PolarHBondContact O-N 3.3Å; L61-R63 PolarHBondContact O-N 3.03Å; R63-H66 WeakPolarHBondContact O-CB 3.4Å; R63-H66 PolarHBondContact O-N 3.07Å; R63-F67 HydrophobicContact CB-CE2 4.44Å; R63-F67 WeakPolarHBondContact O-CD2 3.47Å; R63-F67 PolarHBondContact O-N 3.5Å
64S93.7Very high92.5Very high0 Ų061.6 Ų61.60%029%0.285CS..Hα-helixtrans-58.3-49.6175.3-174.30000111.2S52 R60 L61 H66 F67 S68 V88S52-S64 WeakPolarHBondContact O-CB 3.24Å; S52-S64 PolarHBondContact O-OG 3.26Å; S52-S64 PolarHBondContact OG-O 2.98Å; S52-S64 VanDerWaalsContact OG-O 3.12Å; S52-S64 PolarHBondContact OG-OG 3.45Å; R60-S64 PolarHBondContact O-N 3.25Å; R60-S64 VanDerWaalsContact O-N 3.08Å; L61-S64 WeakPolarHBondContact O-CB 3.5Å; L61-S64 PolarHBondContact O-N 2.89Å; S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.82Å; S64-F67 PolarHBondContact O-N 2.76Å; S64-S68 WeakPolarHBondContact O-CB 3.38Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 3.22Å; S64-V88 WeakPolarHBondContact OG-CG2 3.33Å
65A93.5Very high92.3Very high13 Ų1364.2 Ų64.211%0.10730%0.3CS..Hα-helixtrans-60.2-40.317500000112.4L61 S68 T69 L85 V88L61-A65 PolarHBondContact O-N 2.99Å; A65-S68 PolarHBondContact O-N 3.27Å; A65-T69 WeakPolarHBondContact O-CB 3.45Å; A65-T69 PolarHBondContact O-N 2.79Å; A65-T69 PolarHBondContact O-OG1 3.1Å; A65-L85 HydrophobicContact CB-CD1 3.75Å; A65-V88 HydrophobicContact CB-CG1 4.14Å
66H93.8Very high92.2Very high101 Ų10167.9 Ų67.947%0.46832%0.323SS..Hα-helixtrans-60-50.9177.5-178.369.4000112.1D62 R63 S64 T69 L70D62-H66 WeakPolarHBondContact O-CB 3.31Å; D62-H66 PolarHBondContact O-N 2.79Å; R63-H66 WeakPolarHBondContact O-CB 3.4Å; R63-H66 PolarHBondContact O-N 3.07Å; S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.82Å; H66-T69 PolarHBondContact O-N 3.38Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.37Å; H66-L70 WeakPolarHBondContact O-CG 3.43Å; H66-L70 PolarHBondContact O-N 3.48Å
67F93.8Very high92.1Very high6 Ų671.9 Ų71.93%0.02635%0.346CS..Hα-helixtrans-69.9-35.1-179.8-71.5-66.4000112.9M35 W38 L48 L51 H55 R63 S64 T69 L70 A71M35-F67 HydrophobicContact CE-CZ 4.08Å; M35-F67 HydrophobicContact SD-CZ 4.17Å; W38-F67 HydrophobicContact CD2-CE1 4.25Å; W38-F67 HydrophobicContact CE3-CE1 4Å; W38-F67 HydrophobicContact CE3-CZ 4.49Å; W38-F67 AromaticContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CH2-CE1 3.87Å; W38-F67 HydrophobicContact CZ2-CE1 4.13Å; W38-F67 AromaticContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CE1 3.8Å; W38-F67 HydrophobicContact CZ3-CZ 4.16Å; L48-F67 HydrophobicContact CD2-CD1 3.88Å; L51-F67 HydrophobicContact CB-CB 4.22Å; L51-F67 HydrophobicContact CB-CD1 4.16Å; L51-F67 HydrophobicContact CB-CD2 4.01Å; L51-F67 HydrophobicContact CB-CE2 4.42Å; L51-F67 HydrophobicContact CB-CG 3.87Å; L51-F67 HydrophobicContact CD1-CD1 3.95Å; L51-F67 HydrophobicContact CD1-CE1 3.76Å; L51-F67 HydrophobicContact CD1-CG 4.49Å; L51-F67 HydrophobicContact CD1-CZ 4.15Å; H55-F67 AromaticContact CD2-CD2 3.48Å; H55-F67 VanDerWaalsContact CD2-CD2 3.48Å; H55-F67 WeakPolarHBondContact CD2-CD2 3.4Å; H55-F67 AromaticContact CD2-CE2 3.47Å; H55-F67 VanDerWaalsContact CD2-CE2 3.47Å; H55-F67 WeakPolarHBondContact CD2-CE2 3.35Å; H55-F67 AromaticContact NE2-CD2 3.94Å; H55-F67 AromaticContact NE2-CE2 3.4Å; H55-F67 WeakPolarHBondContact NE2-CE2 3.27Å; R63-F67 HydrophobicContact CB-CE2 4.44Å; R63-F67 WeakPolarHBondContact O-CD2 3.47Å; R63-F67 PolarHBondContact O-N 3.5Å; S64-F67 PolarHBondContact O-N 2.76Å; F67-T69 VanDerWaalsContact C-N 3.32Å; F67-T69 PolarHBondContact O-N 3.47Å; F67-L70 HydrophobicContact CD1-CD1 4.08Å; F67-L70 HydrophobicContact CE1-CD1 4.41Å; F67-L70 PolarHBondContact O-N 2.98Å; F67-A71 WeakPolarHBondContact O-CB 3.39Å; F67-A71 PolarHBondContact O-N 3.26Å
68S92.8Very high92Very high0 Ų068.3 Ų68.30%033%0.33CS..Hα-helixtrans-59.6-42.6169.1-800000112S52 S64 A65 A71 I72 N84S52-S68 PolarHBondContact OG-OG 3.07Å; S64-S68 WeakPolarHBondContact O-CB 3.38Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 3.22Å; A65-S68 PolarHBondContact O-N 3.27Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 3.31Å; S68-I72 VanDerWaalsContact O-CG1 3.31Å; S68-I72 WeakPolarHBondContact O-CG1 3.46Å; S68-I72 PolarHBondContact O-N 3.07Å; S68-N84 WeakPolarHBondContact OG-CB 3.47Å
69T93.6Very high92Very high75 Ų7566.2 Ų66.246%0.4632%0.316SS..Hα-helixtrans-66.9-39.3178.5-55.30000111.6A65 H66 F67 I72 K73A65-T69 WeakPolarHBondContact O-CB 3.45Å; A65-T69 PolarHBondContact O-N 2.79Å; A65-T69 PolarHBondContact O-OG1 3.1Å; H66-T69 PolarHBondContact O-N 3.38Å; F67-T69 VanDerWaalsContact C-N 3.32Å; F67-T69 PolarHBondContact O-N 3.47Å; T69-I72 PolarHBondContact O-N 3.26Å; T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 PolarHBondContact O-N 3.25Å
70L92.9Very high92.1Very high48 Ų4858.9 Ų58.925%0.25129%0.29SS..Hα-helixtrans-62.5-42.7172.5-72.5175.3000111.5W38 L48 H66 F67 I72 K73 Q74W38-L70 HydrophobicContact CH2-CD1 4.48Å; W38-L70 HydrophobicContact CZ2-CD1 3.89Å; L48-L70 HydrophobicContact CD1-CB 4.22Å; L48-L70 HydrophobicContact CD2-CB 4.06Å; L48-L70 HydrophobicContact CD2-CD1 4.33Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.37Å; H66-L70 WeakPolarHBondContact O-CG 3.43Å; H66-L70 PolarHBondContact O-N 3.48Å; F67-L70 HydrophobicContact CD1-CD1 4.08Å; F67-L70 HydrophobicContact CE1-CD1 4.41Å; F67-L70 PolarHBondContact O-N 2.98Å; L70-I72 PolarHBondContact O-N 3.39Å; L70-K73 PolarHBondContact O-N 3.49Å; L70-Q74 PolarHBondContact O-N 3.04Å
71A91.8Very high92.1Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-61.1-43.6176.400000111.8L48 F67 S68 Q74 N75 L78 A81L48-A71 HydrophobicContact CB-CB 3.84Å; L48-A71 HydrophobicContact CD1-CB 4.36Å; F67-A71 WeakPolarHBondContact O-CB 3.39Å; F67-A71 PolarHBondContact O-N 3.26Å; S68-A71 WeakPolarHBondContact O-CB 3.46Å; S68-A71 PolarHBondContact O-N 3.31Å; A71-Q74 PolarHBondContact O-N 3.25Å; A71-N75 PolarHBondContact O-N 3Å; A71-L78 HydrophobicContact CB-CD2 4.14Å; A71-A81 HydrophobicContact CB-CB 3.85Å
72I92.4Very high92.3Very high26 Ų2654.4 Ų54.413%0.13327%0.271CS..Hα-helixtrans-63.6-42175.7-68.5164000111.1S68 T69 L70 Q74 N75 P76 A81 Y82 L85S68-I72 VanDerWaalsContact O-CG1 3.31Å; S68-I72 WeakPolarHBondContact O-CG1 3.46Å; S68-I72 PolarHBondContact O-N 3.07Å; T69-I72 PolarHBondContact O-N 3.26Å; L70-I72 PolarHBondContact O-N 3.39Å; I72-Q74 VanDerWaalsContact C-N 3.26Å; I72-Q74 PolarHBondContact O-N 3.11Å; I72-N75 CarbonylContact O-C 3.56Å; I72-N75 PolarHBondContact O-N 2.87Å; I72-P76 WeakPolarHBondContact O-CA 3.44Å; I72-P76 WeakPolarHBondContact O-CD 3.49Å; I72-P76 VanDerWaalsContact O-N 3.09Å; I72-A81 HydrophobicContact CD1-CB 4.32Å; I72-A81 HydrophobicContact CG1-CB 3.67Å; I72-Y82 HydrophobicContact CD1-CD1 3.87Å; I72-Y82 HydrophobicContact CD1-CD2 4.4Å; I72-Y82 HydrophobicContact CD1-CE1 3.92Å; I72-Y82 HydrophobicContact CD1-CE2 4.43Å; I72-Y82 HydrophobicContact CD1-CG 4.14Å; I72-Y82 HydrophobicContact CG1-CD2 4.23Å; I72-Y82 HydrophobicContact CG1-CE1 4.34Å; I72-Y82 HydrophobicContact CG1-CE2 4.05Å; I72-Y82 HydrophobicContact CG1-CG 4.46Å; I72-Y82 HydrophobicContact CG2-CE1 4.19Å; I72-Y82 HydrophobicContact CG2-CE2 4.2Å; I72-Y82 WeakPolarHBondContact CG2-OH 3.22Å; I72-L85 HydrophobicContact CD1-CD2 4.08Å
73K91.7Very high92.3Very high170 Ų17048.7 Ų48.774%0.73924%0.241SC*.Hα-helixtrans-62.5-37.5179.1-171.1179.8179.1-175.20111.5T69 L70T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 PolarHBondContact O-N 3.25Å; L70-K73 PolarHBondContact O-N 3.49Å
74Q89.9Confident92.3Very high89 Ų8944.1 Ų44.142%0.41623%0.226SC..Hα-helixtrans-77.6-39.3179.2-167.361.614.900112.7D43 T45 L70 A71 I72D43-Q74 HydrophobicContact CB-CG 4.25Å; D43-Q74 VanDerWaalsContact CB-NE2 3.28Å; D43-Q74 WeakPolarHBondContact O-CG 3.44Å; D43-Q74 PolarHBondContact OD2-NE2 3.37Å; T45-Q74 HydrophobicContact CG2-CB 4Å; T45-Q74 HydrophobicContact CG2-CG 3.92Å; L70-Q74 PolarHBondContact O-N 3.04Å; A71-Q74 PolarHBondContact O-N 3.25Å; I72-Q74 VanDerWaalsContact C-N 3.26Å; I72-Q74 PolarHBondContact O-N 3.11Å
75N89.1Confident92.3Very high56 Ų5644.6 Ų44.630%0.29923%0.228SC..  trans-138.199.2174-176.3-1000111T45 A71 I72 L77 L78T45-N75 HydrophobicContact CG2-CB 3.91Å; A71-N75 PolarHBondContact O-N 3Å; I72-N75 CarbonylContact O-C 3.56Å; I72-N75 PolarHBondContact O-N 2.87Å; N75-L77 PolarHBondContact O-N 2.96Å; N75-L77 VanDerWaalsContact O-N 3.1Å; N75-L77 WeakPolarHBondContact OD1-CB 3.11Å; N75-L77 PolarHBondContact OD1-N 3.16Å; N75-L78 HydrophobicContact CB-CB 4.28Å; N75-L78 HydrophobicContact CB-CD1 4.3Å; N75-L78 VanDerWaalsContact O-CB 3.28Å; N75-L78 WeakPolarHBondContact O-CB 3.48Å; N75-L78 PolarHBondContact O-N 3.29Å
76P91Very high92.3Very high77 Ų7744 Ų4450%0.522%0.223SC..THydrogen-bonded Turntrans-65-12179.5-24.935000115.2I72 Y82I72-P76 WeakPolarHBondContact O-CA 3.44Å; I72-P76 WeakPolarHBondContact O-CD 3.49Å; I72-P76 VanDerWaalsContact O-N 3.09Å; P76-Y82 WeakPolarHBondContact O-CE2 3.39Å; P76-Y82 PolarHBondContact O-OH 2.91Å
77L90.6Very high92.3Very high130 Ų13040.1 Ų40.168%0.68121%0.206SC*.THydrogen-bonded Turntrans-92.63.7179.4-61.4175000113.2N75 A79 L108N75-L77 PolarHBondContact O-N 2.96Å; N75-L77 VanDerWaalsContact O-N 3.1Å; N75-L77 WeakPolarHBondContact OD1-CB 3.11Å; N75-L77 PolarHBondContact OD1-N 3.16Å; L77-A79 PolarHBondContact O-N 2.9Å; L77-A79 VanDerWaalsContact O-N 3.16Å; L77-L108 HydrophobicContact CD2-CD2 3.88Å
78L90Very high92.3Very high19 Ų1939.9 Ų39.910%0.09921%0.205CC..  trans-82.991.7-173.9-153.2100.1000111.6L49 A71 N75 E80 A81 Y82L49-L78 HydrophobicContact CD1-CD2 3.52Å; L49-L78 HydrophobicContact CD1-CG 4.26Å; L49-L78 HydrophobicContact CD2-CD2 3.68Å; L49-L78 HydrophobicContact CG-CD2 3.55Å; A71-L78 HydrophobicContact CB-CD2 4.14Å; N75-L78 HydrophobicContact CB-CB 4.28Å; N75-L78 HydrophobicContact CB-CD1 4.3Å; N75-L78 VanDerWaalsContact O-CB 3.28Å; N75-L78 WeakPolarHBondContact O-CB 3.48Å; N75-L78 PolarHBondContact O-N 3.29Å; L78-E80 VanDerWaalsContact C-N 3.27Å; L78-E80 PolarHBondContact O-N 3.02Å; L78-A81 HydrophobicContact CD2-CB 3.73Å; L78-A81 PolarHBondContact O-N 2.93Å; L78-A81 VanDerWaalsContact O-N 3.17Å; L78-Y82 WeakPolarHBondContact O-CD2 3.45Å
79A91.6Very high92.4Very high2 Ų242.4 Ų42.42%0.01722%0.215CC..Hα-helixtrans-56.7-38.1-176.400000113.4L77 A81 Y82 S83 A105 L108 K109L77-A79 PolarHBondContact O-N 2.9Å; L77-A79 VanDerWaalsContact O-N 3.16Å; A79-A81 VanDerWaalsContact C-N 3.25Å; A79-A81 PolarHBondContact O-N 3.43Å; A79-Y82 PolarHBondContact O-N 3.02Å; A79-S83 PolarHBondContact O-N 3.45Å; A79-A105 HydrophobicContact CB-CB 4.38Å; A79-A105 WeakPolarHBondContact CB-O 3.48Å; A79-A105 WeakPolarHBondContact O-CB 3.4Å; A79-L108 HydrophobicContact CB-CB 4.1Å; A79-K109 HydrophobicContact CB-CB 3.5Å; A79-K109 VanDerWaalsContact CB-CB 3.5Å; A79-K109 HydrophobicContact CB-CD 4.22Å
80E91.8Very high92.3Very high57 Ų5741.2 Ų41.227%0.26620%0.203SC..Hα-helixtrans-60.2-33.7-179.5-65.579.4-175.400112.2L49 L78 S83 N84 K109 F112L49-E80 HydrophobicContact CD1-CB 3.84Å; L49-E80 HydrophobicContact CD2-CB 3.9Å; L78-E80 VanDerWaalsContact C-N 3.27Å; L78-E80 PolarHBondContact O-N 3.02Å; E80-S83 PolarHBondContact O-N 3.36Å; E80-N84 WeakPolarHBondContact O-CB 3.36Å; E80-N84 PolarHBondContact O-N 2.95Å; E80-K109 IonicContact OE1-NZ 3.2Å; E80-K109 PolarHBondContact OE1-NZ 3.39Å; E80-F112 HydrophobicContact CG-CE2 4.43Å
81A92.7Very high92.2Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-73.4-38.5179.100000112L49 A71 I72 L78 A79 S83 N84 L85L49-A81 HydrophobicContact CD2-CB 3.77Å; A71-A81 HydrophobicContact CB-CB 3.85Å; I72-A81 HydrophobicContact CD1-CB 4.32Å; I72-A81 HydrophobicContact CG1-CB 3.67Å; L78-A81 HydrophobicContact CD2-CB 3.73Å; L78-A81 PolarHBondContact O-N 2.93Å; L78-A81 VanDerWaalsContact O-N 3.17Å; A79-A81 VanDerWaalsContact C-N 3.25Å; A79-A81 PolarHBondContact O-N 3.43Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-N84 PolarHBondContact O-N 3.14Å; A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 PolarHBondContact O-N 3.06Å
82Y95.4Very high92.2Very high28 Ų2848.4 Ų48.411%0.1123%0.231CC..Hα-helixtrans-63.9-39.2172-70.9-83.3000111.3I72 P76 L78 A79 L85 G86 H101 H104 L108I72-Y82 HydrophobicContact CD1-CD1 3.87Å; I72-Y82 HydrophobicContact CD1-CD2 4.4Å; I72-Y82 HydrophobicContact CD1-CE1 3.92Å; I72-Y82 HydrophobicContact CD1-CE2 4.43Å; I72-Y82 HydrophobicContact CD1-CG 4.14Å; I72-Y82 HydrophobicContact CG1-CD2 4.23Å; I72-Y82 HydrophobicContact CG1-CE1 4.34Å; I72-Y82 HydrophobicContact CG1-CE2 4.05Å; I72-Y82 HydrophobicContact CG1-CG 4.46Å; I72-Y82 HydrophobicContact CG2-CE1 4.19Å; I72-Y82 HydrophobicContact CG2-CE2 4.2Å; I72-Y82 WeakPolarHBondContact CG2-OH 3.22Å; P76-Y82 WeakPolarHBondContact O-CE2 3.39Å; P76-Y82 PolarHBondContact O-OH 2.91Å; L78-Y82 WeakPolarHBondContact O-CD2 3.45Å; A79-Y82 PolarHBondContact O-N 3.02Å; Y82-L85 PolarHBondContact O-N 2.74Å; Y82-G86 PolarHBondContact O-N 2.96Å; Y82-H101 AromaticContact CD1-ND1 3.92Å; Y82-H104 HydrophobicContact CD1-CB 4.34Å; Y82-H104 AromaticContact CZ-CE1 3.96Å; Y82-L108 HydrophobicContact CD2-CD1 3.53Å; Y82-L108 HydrophobicContact CE2-CD1 3.41Å; Y82-L108 VanDerWaalsContact CE2-CD1 3.41Å
83S93.7Very high92Very high3 Ų349.8 Ų49.82%0.02125%0.252CS..Hα-helixtrans-65.1-44175.9-168.20000112.9A79 E80 A81 L85 G86 N87 Y102 F112A79-S83 PolarHBondContact O-N 3.45Å; E80-S83 PolarHBondContact O-N 3.36Å; A81-S83 VanDerWaalsContact C-N 3.32Å; S83-L85 VanDerWaalsContact C-N 3.29Å; S83-L85 PolarHBondContact O-N 2.82Å; S83-G86 PolarHBondContact O-N 3.02Å; S83-N87 PolarHBondContact O-N 3.41Å; S83-Y102 WeakPolarHBondContact O-CE1 3.38Å; S83-F112 WeakPolarHBondContact OG-CE1 3.38Å
84N92.8Very high92.1Very high27 Ų2744.8 Ų44.814%0.14423%0.231CC..Hα-helixtrans-60.8-41.2175.3-81.3-6.5000111.3S53 S68 E80 A81 N87 V88S53-N84 PolarHBondContact OG-ND2 3.36Å; S68-N84 WeakPolarHBondContact OG-CB 3.47Å; E80-N84 WeakPolarHBondContact O-CB 3.36Å; E80-N84 PolarHBondContact O-N 2.95Å; A81-N84 PolarHBondContact O-N 3.14Å; N84-N87 WeakPolarHBondContact O-CB 3.4Å; N84-N87 PolarHBondContact O-N 2.96Å; N84-V88 WeakPolarHBondContact O-CG2 3.48Å; N84-V88 PolarHBondContact O-N 2.87Å; N84-V88 VanDerWaalsContact O-N 3.13Å
85L93.8Very high92.2Very high10 Ų1042.7 Ų42.75%0.05222%0.222CC..Hα-helixtrans-65-40.1175-165.964.1000111.8A65 I72 A81 Y82 S83 N87 V88 Y89A65-L85 HydrophobicContact CB-CD1 3.75Å; I72-L85 HydrophobicContact CD1-CD2 4.08Å; A81-L85 WeakPolarHBondContact O-CB 3.43Å; A81-L85 PolarHBondContact O-N 3.06Å; Y82-L85 PolarHBondContact O-N 2.74Å; S83-L85 VanDerWaalsContact C-N 3.29Å; S83-L85 PolarHBondContact O-N 2.82Å; L85-N87 VanDerWaalsContact C-N 3.34Å; L85-N87 PolarHBondContact O-N 3.43Å; L85-V88 WeakPolarHBondContact O-CB 3.44Å; L85-V88 PolarHBondContact O-N 2.93Å; L85-V88 VanDerWaalsContact O-N 3.17Å; L85-Y89 HydrophobicContact CD1-CE2 4.11Å; L85-Y89 HydrophobicContact CD2-CE2 4.1Å; L85-Y89 HydrophobicContact CG-CD2 4.08Å; L85-Y89 HydrophobicContact CG-CE2 3.68Å; L85-Y89 WeakPolarHBondContact O-CD2 3.33Å; L85-Y89 PolarHBondContact O-N 2.88Å
86G94.2Very high92.3Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-58.4-42.517200000112.7Y82 S83 V88 Y89 K90 A98 Y102Y82-G86 PolarHBondContact O-N 2.96Å; S83-G86 PolarHBondContact O-N 3.02Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 3.16Å; G86-Y89 PolarHBondContact O-N 3.44Å; G86-K90 WeakPolarHBondContact O-CB 3.39Å; G86-K90 PolarHBondContact O-N 2.65Å; G86-A98 WeakPolarHBondContact O-CB 3.4Å; G86-Y102 VanDerWaalsContact C-CZ 3.41Å; G86-Y102 VanDerWaalsContact C-OH 3.29Å; G86-Y102 PolarHBondContact O-OH 3.13Å
87N93.3Very high92.4Very high20 Ų2045.2 Ų45.211%0.10723%0.226CC..Hα-helixtrans-59-42.1174.4-68.5-20.5000111.7F56 S83 N84 L85 K90 E91 Y102F56-N87 HydrophobicContact CD2-CB 4.33Å; F56-N87 HydrophobicContact CE1-CB 4.5Å; F56-N87 HydrophobicContact CE2-CB 3.7Å; F56-N87 HydrophobicContact CZ-CB 3.8Å; S83-N87 PolarHBondContact O-N 3.41Å; N84-N87 WeakPolarHBondContact O-CB 3.4Å; N84-N87 PolarHBondContact O-N 2.96Å; L85-N87 VanDerWaalsContact C-N 3.34Å; L85-N87 PolarHBondContact O-N 3.43Å; N87-K90 PolarHBondContact O-N 2.86Å; N87-E91 WeakPolarHBondContact O-CG 3.32Å; N87-E91 PolarHBondContact O-N 3.33Å; N87-Y102 WeakPolarHBondContact CA-OH 3.5Å; N87-Y102 PolarHBondContact N-OH 2.94Å; N87-Y102 VanDerWaalsContact N-OH 3.17Å; N87-Y102 WeakPolarHBondContact OD1-CE1 3.17Å; N87-Y102 PolarHBondContact OD1-OH 2.86Å
88V93.6Very high92.6Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-62.3-46.2176.4175.80000111.5F56 L61 S64 A65 N84 L85 G86 K90 E91 R92F56-V88 HydrophobicContact CD2-CG2 3.91Å; F56-V88 HydrophobicContact CE2-CG2 4.39Å; L61-V88 HydrophobicContact CB-CG1 4.01Å; L61-V88 HydrophobicContact CD2-CG1 4.43Å; S64-V88 WeakPolarHBondContact OG-CG2 3.33Å; A65-V88 HydrophobicContact CB-CG1 4.14Å; N84-V88 WeakPolarHBondContact O-CG2 3.48Å; N84-V88 PolarHBondContact O-N 2.87Å; N84-V88 VanDerWaalsContact O-N 3.13Å; L85-V88 WeakPolarHBondContact O-CB 3.44Å; L85-V88 PolarHBondContact O-N 2.93Å; L85-V88 VanDerWaalsContact O-N 3.17Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 3.16Å; V88-K90 VanDerWaalsContact C-N 3.33Å; V88-K90 PolarHBondContact O-N 3.1Å; V88-E91 PolarHBondContact O-N 2.85Å; V88-R92 WeakPolarHBondContact O-CG 3.5Å; V88-R92 PolarHBondContact O-N 2.9Å; V88-R92 VanDerWaalsContact O-N 3.12Å
89Y93.9Very high92.9Very high54 Ų5438.3 Ų38.321%0.21219%0.189CC..Hα-helixtrans-64.2-38.5178.3-76.4-63000112.5L85 G86 R92 G93 Q94 E97 H101L85-Y89 HydrophobicContact CD1-CE2 4.11Å; L85-Y89 HydrophobicContact CD2-CE2 4.1Å; L85-Y89 HydrophobicContact CG-CD2 4.08Å; L85-Y89 HydrophobicContact CG-CE2 3.68Å; L85-Y89 WeakPolarHBondContact O-CD2 3.33Å; L85-Y89 PolarHBondContact O-N 2.88Å; G86-Y89 PolarHBondContact O-N 3.44Å; Y89-R92 PolarHBondContact O-N 3.18Å; Y89-G93 PolarHBondContact O-N 3.08Å; Y89-Q94 HydrophobicContact CD1-CB 3.96Å; Y89-Q94 HydrophobicContact CD1-CG 4.46Å; Y89-Q94 VanDerWaalsContact CD1-OE1 3.3Å; Y89-Q94 PolarHBondContact O-N 3.34Å; Y89-E97 HydrophobicContact CD1-CB 3.94Å; Y89-E97 HydrophobicContact CD2-CB 4.22Å; Y89-E97 HydrophobicContact CE1-CB 4.33Å; Y89-E97 HydrophobicContact CG-CB 3.88Å; Y89-H101 AromaticContact CD2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CD2-CD2 3.49Å; Y89-H101 AromaticContact CD2-NE2 3.79Å; Y89-H101 AromaticContact CE2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CE2-CD2 3.38Å; Y89-H101 AromaticContact CE2-NE2 3.22Å; Y89-H101 WeakPolarHBondContact CE2-NE2 3.48Å
90K92.6Very high93Very high50 Ų5044 Ų4422%0.21722%0.216CC..Hα-helixtrans-60-48.4175.5-170.4-173.872-177.60111.4G86 N87 V88 R92 G93 L95 A98 A122G86-K90 WeakPolarHBondContact O-CB 3.39Å; G86-K90 PolarHBondContact O-N 2.65Å; N87-K90 PolarHBondContact O-N 2.86Å; V88-K90 VanDerWaalsContact C-N 3.33Å; V88-K90 PolarHBondContact O-N 3.1Å; K90-R92 PolarHBondContact O-N 3.14Å; K90-G93 PolarHBondContact O-N 3.01Å; K90-L95 HydrophobicContact CG-CD2 4.33Å; K90-A98 HydrophobicContact CB-CB 3.97Å; K90-A122 HydrophobicContact CD-CB 4.41Å
91E91Very high93.2Very high106 Ų10643.2 Ų43.250%0.49521%0.212SC..Hα-helixtrans-65.3-23.6177.8-69.9-59132.900113.2F56 L61 N87 V88 G93F56-E91 HydrophobicContact CE2-CB 4.48Å; F56-E91 HydrophobicContact CE2-CG 3.7Å; F56-E91 HydrophobicContact CZ-CG 3.59Å; L61-E91 HydrophobicContact CD1-CB 4.12Å; L61-E91 HydrophobicContact CD2-CB 4.29Å; N87-E91 WeakPolarHBondContact O-CG 3.32Å; N87-E91 PolarHBondContact O-N 3.33Å; V88-E91 PolarHBondContact O-N 2.85Å; E91-G93 VanDerWaalsContact C-N 3.29Å
92R91.1Very high93.3Very high93 Ų9343.2 Ų43.235%0.35121%0.212SC..THydrogen-bonded Turntrans-81.9-3.4171.9-70.5179177.2168.50.6113.8L61 D62 V88 Y89 K90 Q94L61-R92 HydrophobicContact CD1-CG 3.94Å; D62-R92 IonicContact OD1-CZ 2.71Å; D62-R92 IonicContact OD1-NH2 2.71Å; D62-R92 PolarHBondContact OD1-NH2 3.02Å; V88-R92 WeakPolarHBondContact O-CG 3.5Å; V88-R92 PolarHBondContact O-N 2.9Å; V88-R92 VanDerWaalsContact O-N 3.12Å; Y89-R92 PolarHBondContact O-N 3.18Å; K90-R92 PolarHBondContact O-N 3.14Å; R92-Q94 HydrophobicContact CB-CG 4.21Å; R92-Q94 PolarHBondContact O-N 3.3Å
93G88.1Confident93.3Very high54 Ų5447.2 Ų47.256%0.55723%0.227SC*.THydrogen-bonded Turntrans76.18.1-173.700000114.3Y89 K90 E91 L95Y89-G93 PolarHBondContact O-N 3.08Å; K90-G93 PolarHBondContact O-N 3.01Å; E91-G93 VanDerWaalsContact C-N 3.29Å; G93-L95 VanDerWaalsContact C-N 3.28Å; G93-L95 PolarHBondContact O-N 3.01Å; G93-L95 VanDerWaalsContact O-N 3.07Å
94Q93.1Very high93.3Very high65 Ų6550 Ų5030%0.30424%0.24SC..  trans-85.670.8177.2-64.6-175.5-86.400109.6Y89 R92 Q96 E97 A98Y89-Q94 HydrophobicContact CD1-CB 3.96Å; Y89-Q94 HydrophobicContact CD1-CG 4.46Å; Y89-Q94 VanDerWaalsContact CD1-OE1 3.3Å; Y89-Q94 PolarHBondContact O-N 3.34Å; R92-Q94 HydrophobicContact CB-CG 4.21Å; R92-Q94 PolarHBondContact O-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.39Å; Q94-E97 HydrophobicContact CB-CB 4.43Å; Q94-E97 PolarHBondContact NE2-OE1 2.9Å; Q94-E97 VanDerWaalsContact NE2-OE1 3.09Å; Q94-A98 WeakPolarHBondContact O-CB 3.48Å; Q94-A98 PolarHBondContact O-N 2.92Å
95L92.2Very high93.4Very high45 Ų4548.8 Ų48.824%0.23623%0.233CC..Hα-helixtrans-66.2-34.9-167.8-64.4176.9000113.4K90 G93 A98 I99 A125 A126K90-L95 HydrophobicContact CG-CD2 4.33Å; G93-L95 VanDerWaalsContact C-N 3.28Å; G93-L95 PolarHBondContact O-N 3.01Å; G93-L95 VanDerWaalsContact O-N 3.07Å; L95-A98 PolarHBondContact O-N 2.8Å; L95-I99 WeakPolarHBondContact O-CB 3.48Å; L95-I99 WeakPolarHBondContact O-CD1 3.33Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 2.95Å; L95-A125 HydrophobicContact CD1-CB 4.03Å; L95-A125 HydrophobicContact CD2-CB 4.01Å; L95-A126 HydrophobicContact CB-CB 4.48Å; L95-A126 HydrophobicContact CD1-CB 4.23Å
96Q92.6Very high93.4Very high116 Ų11649 Ų4954%0.54223%0.234SC..Hα-helixtrans-69.3-46.2-179.5-73.1-62.5-18.900111.5Q94 A98 I99 E100Q94-Q96 PolarHBondContact O-N 3.39Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.42Å; Q96-I99 PolarHBondContact O-N 3.04Å; Q96-E100 WeakPolarHBondContact O-CG 3.32Å; Q96-E100 PolarHBondContact O-N 3.26Å
97E92.6Very high93.3Very high71 Ų7157.1 Ų57.133%0.33227%0.265SS..Hα-helixtrans-61.1-40.9175.7-61.394.6135.200110.6Y89 Q94 E100 H101Y89-E97 HydrophobicContact CD1-CB 3.94Å; Y89-E97 HydrophobicContact CD2-CB 4.22Å; Y89-E97 HydrophobicContact CE1-CB 4.33Å; Y89-E97 HydrophobicContact CG-CB 3.88Å; Q94-E97 HydrophobicContact CB-CB 4.43Å; Q94-E97 PolarHBondContact NE2-OE1 2.9Å; Q94-E97 VanDerWaalsContact NE2-OE1 3.09Å; E97-E100 PolarHBondContact O-N 2.78Å; E97-H101 PolarHBondContact O-CD2 2.91Å; E97-H101 PolarHBondContact O-N 2.59Å
98A94.6Very high93.3Very high0 Ų058.8 Ų58.80%027%0.273CS..Hα-helixtrans-58.6-5017400000112G86 K90 Q94 L95 Q96 E100 H101 Y102G86-A98 WeakPolarHBondContact O-CB 3.4Å; K90-A98 HydrophobicContact CB-CB 3.97Å; Q94-A98 WeakPolarHBondContact O-CB 3.48Å; Q94-A98 PolarHBondContact O-N 2.92Å; L95-A98 PolarHBondContact O-N 2.8Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.42Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 2.87Å; A98-H101 PolarHBondContact O-N 3Å; A98-Y102 HydrophobicContact CB-CD2 4.48Å; A98-Y102 HydrophobicContact CB-CE2 3.98Å; A98-Y102 WeakPolarHBondContact O-CD2 3.18Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 2.85Å
99I95.4Very high93.2Very high3 Ų362.2 Ų62.22%0.01529%0.288CS..Hα-helixtrans-59.6-43.9178.6-72162.1000111.2L95 Q96 Y102 R103 L119 A122 L123 A126L95-I99 WeakPolarHBondContact O-CB 3.48Å; L95-I99 WeakPolarHBondContact O-CD1 3.33Å; L95-I99 WeakPolarHBondContact O-CG1 3.44Å; L95-I99 PolarHBondContact O-N 2.95Å; Q96-I99 PolarHBondContact O-N 3.04Å; I99-Y102 PolarHBondContact O-N 3.4Å; I99-R103 HydrophobicContact CG2-CG 4.43Å; I99-R103 WeakPolarHBondContact O-CB 3.21Å; I99-R103 WeakPolarHBondContact O-CG 3.22Å; I99-R103 PolarHBondContact O-N 2.84Å; I99-L119 HydrophobicContact CB-CD1 4.34Å; I99-L119 HydrophobicContact CG1-CD1 4.27Å; I99-L119 HydrophobicContact CG2-CD1 3.88Å; I99-A122 HydrophobicContact CG1-CB 3.9Å; I99-L123 HydrophobicContact CD1-CD2 3.81Å; I99-L123 HydrophobicContact CD1-CG 4.44Å; I99-L123 HydrophobicContact CG1-CD2 4.21Å; I99-L123 HydrophobicContact CG1-CG 4.49Å; I99-L123 HydrophobicContact CG2-CD2 4.35Å; I99-A126 HydrophobicContact CD1-CB 4.01Å
100E95Very high93.1Very high123 Ų12362.7 Ų62.758%0.57530%0.298SS*.Hα-helixtrans-61.5-44.3177.5-75.6-175.6177.200111.9Q96 E97 A98 R103 H104Q96-E100 WeakPolarHBondContact O-CG 3.32Å; Q96-E100 PolarHBondContact O-N 3.26Å; E97-E100 PolarHBondContact O-N 2.78Å; A98-E100 VanDerWaalsContact C-N 3.35Å; A98-E100 PolarHBondContact O-N 2.87Å; E100-R103 PolarHBondContact O-N 3.09Å; E100-H104 WeakPolarHBondContact O-CB 3.49Å; E100-H104 PolarHBondContact O-N 3.3Å
101H94.8Very high93Very high40 Ų4064.7 Ų64.719%0.18531%0.311CS..Hα-helixtrans-66.6-40.6177.8-77.7-59.3000112.7Y82 Y89 E97 A98 H104 A105Y82-H101 AromaticContact CD1-ND1 3.92Å; Y89-H101 AromaticContact CD2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CD2-CD2 3.49Å; Y89-H101 AromaticContact CD2-NE2 3.79Å; Y89-H101 AromaticContact CE2-CD2 3.33Å; Y89-H101 WeakPolarHBondContact CE2-CD2 3.38Å; Y89-H101 AromaticContact CE2-NE2 3.22Å; Y89-H101 WeakPolarHBondContact CE2-NE2 3.48Å; E97-H101 PolarHBondContact O-CD2 2.91Å; E97-H101 PolarHBondContact O-N 2.59Å; A98-H101 PolarHBondContact O-N 3Å; H101-H104 PolarHBondContact O-N 3.01Å; H101-A105 PolarHBondContact O-N 3.23Å
102Y95.7Very high93Very high0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-64.8-44.6173.6-62.3-48.7000112.1S83 G86 N87 A98 I99 H104 A105 L106 N118 A122S83-Y102 WeakPolarHBondContact O-CE1 3.38Å; G86-Y102 VanDerWaalsContact C-CZ 3.41Å; G86-Y102 VanDerWaalsContact C-OH 3.29Å; G86-Y102 PolarHBondContact O-OH 3.13Å; N87-Y102 WeakPolarHBondContact CA-OH 3.5Å; N87-Y102 PolarHBondContact N-OH 2.94Å; N87-Y102 VanDerWaalsContact N-OH 3.17Å; N87-Y102 WeakPolarHBondContact OD1-CE1 3.17Å; N87-Y102 PolarHBondContact OD1-OH 2.86Å; A98-Y102 HydrophobicContact CB-CD2 4.48Å; A98-Y102 HydrophobicContact CB-CE2 3.98Å; A98-Y102 WeakPolarHBondContact O-CD2 3.18Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 2.85Å; I99-Y102 PolarHBondContact O-N 3.4Å; Y102-H104 PolarHBondContact O-N 3.12Å; Y102-A105 WeakPolarHBondContact O-CB 3.28Å; Y102-A105 PolarHBondContact O-N 2.99Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; Y102-L106 VanDerWaalsContact O-CG 3.31Å; Y102-L106 WeakPolarHBondContact O-CG 3.26Å; Y102-L106 PolarHBondContact O-N 3.5Å; Y102-N118 HydrophobicContact CD1-CB 3.99Å; Y102-N118 HydrophobicContact CE1-CB 3.53Å; Y102-N118 HydrophobicContact CE2-CB 4.12Å; Y102-N118 HydrophobicContact CG-CB 4.46Å; Y102-A122 HydrophobicContact CD2-CB 4.27Å; Y102-A122 HydrophobicContact CE2-CB 3.95Å
103R95.1Very high93Very high111 Ų11158.3 Ų58.342%0.41929%0.286SS..Hα-helixtrans-60.2-37.8174.4-75.3176.4177.1159.60.8111.3I99 E100 L106 R107 L119I99-R103 HydrophobicContact CG2-CG 4.43Å; I99-R103 WeakPolarHBondContact O-CB 3.21Å; I99-R103 WeakPolarHBondContact O-CG 3.22Å; I99-R103 PolarHBondContact O-N 2.84Å; E100-R103 PolarHBondContact O-N 3.09Å; R103-L106 PolarHBondContact O-N 3.29Å; R103-R107 WeakPolarHBondContact O-CG 3.31Å; R103-R107 PolarHBondContact O-N 2.99Å; R103-L119 HydrophobicContact CG-CD1 4.21Å; R103-L119 HydrophobicContact CG-CD2 4.22Å
104H94.1Very high93Very high63 Ų6360.4 Ų60.429%0.29228%0.284SS..Hα-helixtrans-66.3-42.7175.3-159.9-50.5000111.9Y82 E100 H101 Y102 L106 R107 L108Y82-H104 HydrophobicContact CD1-CB 4.34Å; Y82-H104 AromaticContact CZ-CE1 3.96Å; E100-H104 WeakPolarHBondContact O-CB 3.49Å; E100-H104 PolarHBondContact O-N 3.3Å; H101-H104 PolarHBondContact O-N 3.01Å; Y102-H104 PolarHBondContact O-N 3.12Å; H104-L106 VanDerWaalsContact C-N 3.31Å; H104-L106 PolarHBondContact O-N 2.93Å; H104-R107 PolarHBondContact CD2-NH2 3.48Å; H104-R107 PolarHBondContact O-N 3.42Å; H104-L108 WeakPolarHBondContact O-CG 3.41Å; H104-L108 PolarHBondContact O-N 3.37Å
105A94Very high93Very high0 Ų057.3 Ų57.30%027%0.27CS..Hα-helixtrans-57.8-45.217400000111.2A79 H101 Y102 R107 L108 K109 F112A79-A105 HydrophobicContact CB-CB 4.38Å; A79-A105 WeakPolarHBondContact CB-O 3.48Å; A79-A105 WeakPolarHBondContact O-CB 3.4Å; H101-A105 PolarHBondContact O-N 3.23Å; Y102-A105 WeakPolarHBondContact O-CB 3.28Å; Y102-A105 PolarHBondContact O-N 2.99Å; Y102-A105 VanDerWaalsContact O-N 3.16Å; A105-R107 PolarHBondContact O-N 3.43Å; A105-L108 PolarHBondContact O-N 2.89Å; A105-L108 VanDerWaalsContact O-N 3.16Å; A105-K109 PolarHBondContact O-N 3.34Å; A105-F112 HydrophobicContact CB-CD1 4.35Å
106L93.7Very high93.2Very high14 Ų1456.6 Ų56.67%0.07326%0.264CS..Hα-helixtrans-68.5-30.8179.2-68170.9000113.5Y102 R103 H104 L108 K109 P110 F112 Y116 L119Y102-L106 VanDerWaalsContact O-CG 3.31Å; Y102-L106 WeakPolarHBondContact O-CG 3.26Å; Y102-L106 PolarHBondContact O-N 3.5Å; R103-L106 PolarHBondContact O-N 3.29Å; H104-L106 VanDerWaalsContact C-N 3.31Å; H104-L106 PolarHBondContact O-N 2.93Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-K109 CarbonylContact O-C 3.49Å; L106-P110 VanDerWaalsContact O-CA 3.25Å; L106-P110 WeakPolarHBondContact O-CA 3.45Å; L106-F112 HydrophobicContact CD2-CB 4.29Å; L106-F112 WeakPolarHBondContact CD2-O 3.48Å; L106-Y116 HydrophobicContact CD1-CD1 3.61Å; L106-Y116 HydrophobicContact CD1-CE1 3.72Å; L106-Y116 HydrophobicContact CD1-CG 4.11Å; L106-Y116 HydrophobicContact CD2-CD1 4.01Å; L106-Y116 HydrophobicContact CD2-CD2 3.63Å; L106-Y116 HydrophobicContact CD2-CE1 3.95Å; L106-Y116 HydrophobicContact CD2-CE2 3.58Å; L106-Y116 HydrophobicContact CD2-CG 3.84Å; L106-Y116 HydrophobicContact CG-CD1 4.44Å; L106-Y116 HydrophobicContact CG-CE1 4.34Å; L106-L119 HydrophobicContact CD1-CB 4.42Å; L106-L119 HydrophobicContact CD1-CD2 3.66Å
107R93.7Very high93.2Very high172 Ų17253.2 Ų53.265%0.64925%0.249SC*.Hα-helixtrans-66-34.2171-77.6-170.5-63-118.81112.5R103 H104 A105R103-R107 WeakPolarHBondContact O-CG 3.31Å; R103-R107 PolarHBondContact O-N 2.99Å; H104-R107 PolarHBondContact CD2-NH2 3.48Å; H104-R107 PolarHBondContact O-N 3.42Å; A105-R107 PolarHBondContact O-N 3.43Å
108L91.9Very high93.2Very high55 Ų5551.4 Ų51.429%0.28824%0.242SC..Hα-helixtrans-78.3-39.5178.9-67173.4000111.8L77 A79 Y82 H104 A105 L106L77-L108 HydrophobicContact CD2-CD2 3.88Å; A79-L108 HydrophobicContact CB-CB 4.1Å; Y82-L108 HydrophobicContact CD2-CD1 3.53Å; Y82-L108 HydrophobicContact CE2-CD1 3.41Å; Y82-L108 VanDerWaalsContact CE2-CD1 3.41Å; H104-L108 WeakPolarHBondContact O-CG 3.41Å; H104-L108 PolarHBondContact O-N 3.37Å; A105-L108 PolarHBondContact O-N 2.89Å; A105-L108 VanDerWaalsContact O-N 3.16Å; L106-L108 VanDerWaalsContact C-N 3.31Å
109K92.4Very high93.3Very high72 Ų7252 Ų5231%0.31325%0.245SC..  trans-134.887.9-178.6-171.9175.1171.5173.10109.6A79 E80 A105 L106 D111 F112A79-K109 HydrophobicContact CB-CB 3.5Å; A79-K109 VanDerWaalsContact CB-CB 3.5Å; A79-K109 HydrophobicContact CB-CD 4.22Å; E80-K109 IonicContact OE1-NZ 3.2Å; E80-K109 PolarHBondContact OE1-NZ 3.39Å; A105-K109 PolarHBondContact O-N 3.34Å; L106-K109 CarbonylContact O-C 3.49Å; K109-D111 WeakPolarHBondContact CG-OD1 3.43Å; K109-D111 PolarHBondContact O-N 3.49Å; K109-F112 HydrophobicContact CB-CB 4.03Å; K109-F112 HydrophobicContact CD-CB 4.04Å; K109-F112 HydrophobicContact CD-CD2 4.44Å; K109-F112 HydrophobicContact CD-CG 4.44Å; K109-F112 HydrophobicContact CG-CB 3.86Å; K109-F112 WeakPolarHBondContact O-CB 3.37Å; K109-F112 PolarHBondContact O-N 3.46Å; K109-F112 VanDerWaalsContact O-N 3.08Å
110P91.8Very high93.3Very high63 Ų6351.9 Ų51.941%0.40924%0.244SC..THydrogen-bonded Turntrans-62.2-24.6-175.7-2736.2000114.8L106 F112 Y116 Y142L106-P110 VanDerWaalsContact O-CA 3.25Å; L106-P110 WeakPolarHBondContact O-CA 3.45Å; P110-F112 VanDerWaalsContact C-N 3.29Å; P110-Y116 WeakPolarHBondContact O-CE2 3.22Å; P110-Y116 PolarHBondContact O-OH 3.43Å; P110-Y142 WeakPolarHBondContact CB-OH 3.42Å; P110-Y142 WeakPolarHBondContact O-CE2 3.49Å; P110-Y142 PolarHBondContact O-OH 3.4Å
111D89.9Confident93.1Very high93 Ų9347.8 Ų47.850%0.49723%0.232SC..THydrogen-bonded Turntrans-87.511.117764.8-29.9000113.5K109 I113 Y142K109-D111 WeakPolarHBondContact CG-OD1 3.43Å; K109-D111 PolarHBondContact O-N 3.49Å; D111-I113 PolarHBondContact O-N 3.14Å; D111-Y142 HydrophobicContact CB-CD1 3.81Å; D111-Y142 HydrophobicContact CB-CE1 3.8Å
112F91.7Very high93.1Very high22 Ų2245.9 Ų45.910%0.09622%0.223CC..  trans-79.483.7-179.5-174.7-127.7000112.4E80 S83 A105 L106 K109 P110 D114 G115 Y116E80-F112 HydrophobicContact CG-CE2 4.43Å; S83-F112 WeakPolarHBondContact OG-CE1 3.38Å; A105-F112 HydrophobicContact CB-CD1 4.35Å; L106-F112 HydrophobicContact CD2-CB 4.29Å; L106-F112 WeakPolarHBondContact CD2-O 3.48Å; K109-F112 HydrophobicContact CB-CB 4.03Å; K109-F112 HydrophobicContact CD-CB 4.04Å; K109-F112 HydrophobicContact CD-CD2 4.44Å; K109-F112 HydrophobicContact CD-CG 4.44Å; K109-F112 HydrophobicContact CG-CB 3.86Å; K109-F112 WeakPolarHBondContact O-CB 3.37Å; K109-F112 PolarHBondContact O-N 3.46Å; K109-F112 VanDerWaalsContact O-N 3.08Å; P110-F112 VanDerWaalsContact C-N 3.29Å; F112-D114 HydrophobicContact CE2-CB 4Å; F112-D114 HydrophobicContact CZ-CB 3.93Å; F112-D114 PolarHBondContact O-N 2.59Å; F112-G115 VanDerWaalsContact CD1-CA 3.49Å; F112-G115 WeakPolarHBondContact O-CA 3.37Å; F112-G115 PolarHBondContact O-N 3.31Å; F112-Y116 PolarHBondContact O-N 3.16Å
113I91.3Very high93Very high43 Ų4346.1 Ų46.122%0.22122%0.224CC..Hα-helixtrans-50.1-50.7-177.2-65.1166.6000112.8D111 G115 Y116 I117 N143 L146D111-I113 PolarHBondContact O-N 3.14Å; I113-G115 PolarHBondContact O-N 2.91Å; I113-Y116 PolarHBondContact O-N 2.94Å; I113-I117 HydrophobicContact CG2-CD1 3.88Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 PolarHBondContact O-N 3.36Å; I113-I117 VanDerWaalsContact O-N 3.07Å; I113-N143 HydrophobicContact CD1-CB 3.57Å; I113-L146 HydrophobicContact CG2-CD1 3.47Å; I113-L146 VanDerWaalsContact CG2-CD1 3.47Å
114D87.9Confident92.9Very high98 Ų9843.9 Ų43.952%0.52422%0.223SC..Hα-helixtrans-60.2-29.3-179.8-68.4-27.3000111.9F112 N118F112-D114 HydrophobicContact CE2-CB 4Å; F112-D114 HydrophobicContact CZ-CB 3.93Å; F112-D114 PolarHBondContact O-N 2.59Å; D114-N118 VanDerWaalsContact O-CB 3.3Å; D114-N118 WeakPolarHBondContact O-CB 3.29Å; D114-N118 VanDerWaalsContact O-CG 3.31Å; D114-N118 PolarHBondContact O-N 2.95Å; D114-N118 PolarHBondContact O-ND2 2.84Å
115G92.4Very high92.7Very high0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-63.4-42.8173.200000112.4F112 I113 L119F112-G115 VanDerWaalsContact CD1-CA 3.49Å; F112-G115 WeakPolarHBondContact O-CA 3.37Å; F112-G115 PolarHBondContact O-N 3.31Å; I113-G115 PolarHBondContact O-N 2.91Å; G115-L119 WeakPolarHBondContact O-CB 3.4Å; G115-L119 PolarHBondContact O-N 3.24Å
116Y95.7Very high92.5Very high30 Ų3046.1 Ų46.112%0.11825%0.252CS..Hα-helixtrans-69.4-41.1176.3-70.9-71.3000112.3L106 P110 F112 I113 L119 A120 S138 A139 Y142L106-Y116 HydrophobicContact CD1-CD1 3.61Å; L106-Y116 HydrophobicContact CD1-CE1 3.72Å; L106-Y116 HydrophobicContact CD1-CG 4.11Å; L106-Y116 HydrophobicContact CD2-CD1 4.01Å; L106-Y116 HydrophobicContact CD2-CD2 3.63Å; L106-Y116 HydrophobicContact CD2-CE1 3.95Å; L106-Y116 HydrophobicContact CD2-CE2 3.58Å; L106-Y116 HydrophobicContact CD2-CG 3.84Å; L106-Y116 HydrophobicContact CG-CD1 4.44Å; L106-Y116 HydrophobicContact CG-CE1 4.34Å; P110-Y116 WeakPolarHBondContact O-CE2 3.22Å; P110-Y116 PolarHBondContact O-OH 3.43Å; F112-Y116 PolarHBondContact O-N 3.16Å; I113-Y116 PolarHBondContact O-N 2.94Å; Y116-L119 PolarHBondContact O-N 2.91Å; Y116-A120 WeakPolarHBondContact O-CB 3.29Å; Y116-A120 PolarHBondContact O-N 3.24Å; Y116-S138 VanDerWaalsContact CE1-CB 3.45Å; Y116-A139 HydrophobicContact CG-CB 4.46Å; Y116-Y142 HydrophobicContact CD2-CD2 4.39Å; Y116-Y142 AromaticContact CE2-CD2 3.71Å; Y116-Y142 HydrophobicContact CE2-CD2 3.71Å; Y116-Y142 AromaticContact CE2-CE2 3.59Å; Y116-Y142 HydrophobicContact CE2-CE2 3.59Å; Y116-Y142 AromaticContact CZ-CE2 3.91Å
117I93.9Very high92.3Very high45 Ų4548 Ų4823%0.23127%0.274CS..Hα-helixtrans-62.6-46.1178.3-63.2171.1000110.1I113 A120 A121 A139 V149I113-I117 HydrophobicContact CG2-CD1 3.88Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 PolarHBondContact O-N 3.36Å; I113-I117 VanDerWaalsContact O-N 3.07Å; I117-A120 PolarHBondContact O-N 2.96Å; I117-A121 PolarHBondContact O-N 3.29Å; I117-A139 HydrophobicContact CG1-CB 4.42Å; I117-V149 HydrophobicContact CD1-CG2 3.63Å; I117-V149 HydrophobicContact CG1-CG2 3.92Å
118N93.1Very high92.3Very high33 Ų3343 Ų4318%0.17626%0.261CS..Hα-helixtrans-66.8-38.2177.4-74.9-47.9000112.4Y102 D114 A121 A122Y102-N118 HydrophobicContact CD1-CB 3.99Å; Y102-N118 HydrophobicContact CE1-CB 3.53Å; Y102-N118 HydrophobicContact CE2-CB 4.12Å; Y102-N118 HydrophobicContact CG-CB 4.46Å; D114-N118 VanDerWaalsContact O-CB 3.3Å; D114-N118 WeakPolarHBondContact O-CB 3.29Å; D114-N118 VanDerWaalsContact O-CG 3.31Å; D114-N118 PolarHBondContact O-N 2.95Å; D114-N118 PolarHBondContact O-ND2 2.84Å; N118-A121 PolarHBondContact O-N 2.81Å; N118-A122 WeakPolarHBondContact O-CB 3.36Å; N118-A122 PolarHBondContact O-N 3.34Å
119L95.7Very high92.3Very high13 Ų1344.1 Ų44.17%0.06827%0.265CS..Hα-helixtrans-60.9-46.6172.9176.761.4000111.2I99 R103 L106 G115 Y116 A121 A122 L123 A135I99-L119 HydrophobicContact CB-CD1 4.34Å; I99-L119 HydrophobicContact CG1-CD1 4.27Å; I99-L119 HydrophobicContact CG2-CD1 3.88Å; R103-L119 HydrophobicContact CG-CD1 4.21Å; R103-L119 HydrophobicContact CG-CD2 4.22Å; L106-L119 HydrophobicContact CD1-CB 4.42Å; L106-L119 HydrophobicContact CD1-CD2 3.66Å; G115-L119 WeakPolarHBondContact O-CB 3.4Å; G115-L119 PolarHBondContact O-N 3.24Å; Y116-L119 PolarHBondContact O-N 2.91Å; L119-A121 PolarHBondContact O-N 3.36Å; L119-A122 PolarHBondContact O-N 2.91Å; L119-L123 HydrophobicContact CD1-CD1 3.79Å; L119-L123 HydrophobicContact CD1-CG 3.96Å; L119-L123 HydrophobicContact CD2-CD1 4.35Å; L119-L123 HydrophobicContact CG-CD1 3.67Å; L119-L123 HydrophobicContact CG-CG 4.28Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.23Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 2.96Å; L119-A135 HydrophobicContact CD2-CB 4.2Å; L119-A135 HydrophobicContact CG-CB 4.2Å
120A94.7Very high92.3Very high0 Ų044.2 Ų44.20%027%0.267CS..Hα-helixtrans-59.8-46.8178.500000111.3Y116 I117 A122 L123 V124 A135 Y136Y116-A120 WeakPolarHBondContact O-CB 3.29Å; Y116-A120 PolarHBondContact O-N 3.24Å; I117-A120 PolarHBondContact O-N 2.96Å; A120-A122 VanDerWaalsContact C-N 3.33Å; A120-A122 PolarHBondContact O-N 3.35Å; A120-L123 PolarHBondContact O-N 2.92Å; A120-V124 WeakPolarHBondContact O-CG2 3.33Å; A120-V124 PolarHBondContact O-N 2.98Å; A120-A135 HydrophobicContact CB-CB 3.81Å; A120-Y136 HydrophobicContact CB-CD1 3.58Å; A120-Y136 HydrophobicContact CB-CD2 3.86Å; A120-Y136 HydrophobicContact CB-CE1 3.46Å; A120-Y136 VanDerWaalsContact CB-CE1 3.46Å; A120-Y136 HydrophobicContact CB-CE2 3.72Å; A120-Y136 HydrophobicContact CB-CG 3.8Å
121A92.6Very high92.4Very high37 Ų3741.9 Ų41.931%0.30625%0.254SS..Hα-helixtrans-60-41.7176.500000112.5I117 N118 L119 A125I117-A121 PolarHBondContact O-N 3.29Å; N118-A121 PolarHBondContact O-N 2.81Å; L119-A121 PolarHBondContact O-N 3.36Å; A121-A125 PolarHBondContact O-N 2.88Å; A121-A125 VanDerWaalsContact O-N 3.1Å
122A93.1Very high92.6Very high0 Ų037.4 Ų37.40%023%0.23CC..Hα-helixtrans-68-37176.500000112.6K90 I99 Y102 N118 L119 A120 A125 A126K90-A122 HydrophobicContact CD-CB 4.41Å; I99-A122 HydrophobicContact CG1-CB 3.9Å; Y102-A122 HydrophobicContact CD2-CB 4.27Å; Y102-A122 HydrophobicContact CE2-CB 3.95Å; N118-A122 WeakPolarHBondContact O-CB 3.36Å; N118-A122 PolarHBondContact O-N 3.34Å; L119-A122 PolarHBondContact O-N 2.91Å; A120-A122 VanDerWaalsContact C-N 3.33Å; A120-A122 PolarHBondContact O-N 3.35Å; A122-A125 PolarHBondContact O-N 3.07Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 2.77Å
123L94.9Very high92.8Very high5 Ų537.1 Ų37.13%0.02623%0.23CC..Hα-helixtrans-68.3-40.7176.8-72168.7000112I99 L119 A120 A125 A126 G127 D128 G131 A132 A135I99-L123 HydrophobicContact CD1-CD2 3.81Å; I99-L123 HydrophobicContact CD1-CG 4.44Å; I99-L123 HydrophobicContact CG1-CD2 4.21Å; I99-L123 HydrophobicContact CG1-CG 4.49Å; I99-L123 HydrophobicContact CG2-CD2 4.35Å; L119-L123 HydrophobicContact CD1-CD1 3.79Å; L119-L123 HydrophobicContact CD1-CG 3.96Å; L119-L123 HydrophobicContact CD2-CD1 4.35Å; L119-L123 HydrophobicContact CG-CD1 3.67Å; L119-L123 HydrophobicContact CG-CG 4.28Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 VanDerWaalsContact O-CG 3.23Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 2.96Å; A120-L123 PolarHBondContact O-N 2.92Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 3.15Å; L123-A126 CarbonylContact O-C 3.58Å; L123-A126 PolarHBondContact O-N 3.02Å; L123-G127 PolarHBondContact O-N 3.37Å; L123-D128 HydrophobicContact CB-CB 4.47Å; L123-D128 HydrophobicContact CD2-CB 4.02Å; L123-D128 PolarHBondContact O-N 3.21Å; L123-G131 VanDerWaalsContact CD1-C 3.41Å; L123-G131 WeakPolarHBondContact CD1-O 3.39Å; L123-A132 HydrophobicContact CB-CB 3.83Å; L123-A135 HydrophobicContact CD1-CB 4.31Å
124V92Very high93Very high64 Ų6441.5 Ų41.539%0.38825%0.25SC..Hα-helixtrans-59.1-47.1171.5172.90000110.5A120 A126 G127 A132 L156A120-V124 WeakPolarHBondContact O-CG2 3.33Å; A120-V124 PolarHBondContact O-N 2.98Å; V124-A126 PolarHBondContact O-N 2.78Å; V124-G127 PolarHBondContact O-N 3.32Å; V124-G127 VanDerWaalsContact O-N 3.09Å; V124-A132 HydrophobicContact CG2-CB 3.56Å; V124-L156 HydrophobicContact CG2-CD1 4.23Å; V124-L156 HydrophobicContact CG2-CD2 4.25Å
125A90Very high93.3Very high65 Ų6537.1 Ų37.154%0.53723%0.227SC..Hα-helixtrans-63.2-30.6177.500000112.9L95 A121 A122 L123 G127L95-A125 HydrophobicContact CD1-CB 4.03Å; L95-A125 HydrophobicContact CD2-CB 4.01Å; A121-A125 PolarHBondContact O-N 2.88Å; A121-A125 VanDerWaalsContact O-N 3.1Å; A122-A125 PolarHBondContact O-N 3.07Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 3.15Å; A125-G127 VanDerWaalsContact C-N 3.34Å
126A90.2Very high93.5Very high44 Ų4438 Ų3836%0.36423%0.23SC..Hα-helixtrans-83.1-5.7176.300000113.9L95 I99 A122 L123 V124L95-A126 HydrophobicContact CB-CB 4.48Å; L95-A126 HydrophobicContact CD1-CB 4.23Å; I99-A126 HydrophobicContact CD1-CB 4.01Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 2.77Å; L123-A126 CarbonylContact O-C 3.58Å; L123-A126 PolarHBondContact O-N 3.02Å; V124-A126 PolarHBondContact O-N 2.78Å
127G89.9Confident93.4Very high53 Ų5339.4 Ų39.455%0.54624%0.242SC..THydrogen-bonded Turntrans832.9-178.300000115.3L123 V124 A125 M129L123-G127 PolarHBondContact O-N 3.37Å; V124-G127 PolarHBondContact O-N 3.32Å; V124-G127 VanDerWaalsContact O-N 3.09Å; A125-G127 VanDerWaalsContact C-N 3.34Å; G127-M129 VanDerWaalsContact C-N 3.34Å; G127-M129 PolarHBondContact O-N 3.31Å; G127-M129 VanDerWaalsContact O-N 3.09Å
128D92.5Very high93.5Very high69 Ų6938.8 Ų38.837%0.36924%0.242SC..  trans-84.178.8174.4-176.46000110.3L123 E130 G131 A132L123-D128 HydrophobicContact CB-CB 4.47Å; L123-D128 HydrophobicContact CD2-CB 4.02Å; L123-D128 PolarHBondContact O-N 3.21Å; D128-E130 VanDerWaalsContact C-N 3.34Å; D128-E130 PolarHBondContact O-N 2.81Å; D128-G131 PolarHBondContact OD1-N 3.33Å; D128-A132 WeakPolarHBondContact O-CB 3.4Å; D128-A132 PolarHBondContact O-N 3.17Å; D128-A132 VanDerWaalsContact O-N 3.09Å
129M92.1Very high93.5Very high78 Ų7837.2 Ų37.238%0.38423%0.233SC..Hα-helixtrans-65.1-35.1-176.5-63.2-162.4-178.200112.7G127 A132 V133 L156 L160G127-M129 VanDerWaalsContact C-N 3.34Å; G127-M129 PolarHBondContact O-N 3.31Å; G127-M129 VanDerWaalsContact O-N 3.09Å; M129-A132 PolarHBondContact O-N 2.83Å; M129-V133 WeakPolarHBondContact O-CG2 3.31Å; M129-V133 PolarHBondContact O-N 3.49Å; M129-L156 HydrophobicContact CB-CD1 4.09Å; M129-L156 HydrophobicContact CG-CD1 4.12Å; M129-L156 HydrophobicContact SD-CD1 4.21Å; M129-L160 HydrophobicContact CB-CD1 4.28Å; M129-L160 HydrophobicContact CB-CD2 3.92Å; M129-L160 HydrophobicContact CB-CG 4.4Å; M129-L160 HydrophobicContact CG-CD2 4.42Å; M129-L160 HydrophobicContact SD-CD2 3.67Å; M129-L160 HydrophobicContact SD-CG 4.2Å
130E93.2Very high93.4Very high74 Ų7437.1 Ų37.135%0.34623%0.232SC..Hα-helixtrans-77.6-36.9-179.9-79.9-72.3-132.200113D128 A132 V133 Q134 R162D128-E130 VanDerWaalsContact C-N 3.34Å; D128-E130 PolarHBondContact O-N 2.81Å; E130-A132 PolarHBondContact O-N 2.83Å; E130-V133 PolarHBondContact O-N 2.81Å; E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.34Å; E130-R162 IonicContact OE1-CZ 3.79Å; E130-R162 IonicContact OE1-NH1 2.76Å; E130-R162 PolarHBondContact OE1-NH1 2.96Å; E130-R162 IonicContact OE1-NH2 2.88Å; E130-R162 PolarHBondContact OE1-NH2 2.97Å; E130-R162 IonicContact OE2-NH1 3.92Å; E130-R162 PolarHBondContact OE2-NH1 3.24Å
131G93.7Very high93.3Very high13 Ų1343.8 Ų43.813%0.13426%0.264CS..Hα-helixtrans-58-40.616900000111.4L123 D128 Q134 A135L123-G131 VanDerWaalsContact CD1-C 3.41Å; L123-G131 WeakPolarHBondContact CD1-O 3.39Å; D128-G131 PolarHBondContact OD1-N 3.33Å; G131-Q134 PolarHBondContact O-N 2.86Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.39Å
132A95Very high93.2Very high0 Ų047.1 Ų47.10%027%0.269CS..Hα-helixtrans-65.5-41.4176.800000112.8L123 V124 D128 M129 E130 Q134 A135 Y136 L156L123-A132 HydrophobicContact CB-CB 3.83Å; V124-A132 HydrophobicContact CG2-CB 3.56Å; D128-A132 WeakPolarHBondContact O-CB 3.4Å; D128-A132 PolarHBondContact O-N 3.17Å; D128-A132 VanDerWaalsContact O-N 3.09Å; M129-A132 PolarHBondContact O-N 2.83Å; E130-A132 PolarHBondContact O-N 2.83Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 3.14Å; A132-A135 PolarHBondContact O-N 3.22Å; A132-Y136 WeakPolarHBondContact O-CD2 3.22Å; A132-Y136 PolarHBondContact O-N 3.03Å; A132-L156 HydrophobicContact CB-CD2 3.65Å
133V95.6Very high93.1Very high15 Ų1549.6 Ų49.69%0.09128%0.282CS..Hα-helixtrans-56.2-49.8172.5166.40000110.3M129 E130 A135 Y136 V137 L153 L156 L157 L160M129-V133 WeakPolarHBondContact O-CG2 3.31Å; M129-V133 PolarHBondContact O-N 3.49Å; E130-V133 PolarHBondContact O-N 2.81Å; V133-A135 VanDerWaalsContact C-N 3.35Å; V133-A135 PolarHBondContact O-N 3.23Å; V133-Y136 PolarHBondContact O-N 3.03Å; V133-V137 HydrophobicContact CG1-CG2 4.33Å; V133-V137 VanDerWaalsContact O-CG2 3.3Å; V133-V137 WeakPolarHBondContact O-CG2 3.49Å; V133-V137 PolarHBondContact O-N 2.95Å; V133-L153 HydrophobicContact CB-CD1 4.25Å; V133-L153 HydrophobicContact CG1-CD1 3.99Å; V133-L153 HydrophobicContact CG2-CD1 4.11Å; V133-L156 HydrophobicContact CG2-CD2 3.61Å; V133-L156 HydrophobicContact CG2-CG 4Å; V133-L157 HydrophobicContact CG2-CD2 4.24Å; V133-L160 HydrophobicContact CG2-CD1 4.09Å
134Q95.2Very high92.9Very high136 Ų13652.6 Ų52.664%0.63630%0.302SS*.Hα-helixtrans-60.8-43.3179.2-70.1179.66.800112.1E130 G131 A132 Y136 V137 S138E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.34Å; G131-Q134 PolarHBondContact O-N 2.86Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 3.14Å; Q134-Y136 PolarHBondContact O-N 2.94Å; Q134-V137 PolarHBondContact O-N 2.84Å; Q134-S138 PolarHBondContact O-N 3.12Å; Q134-S138 PolarHBondContact O-OG 3.4Å
135A94.6Very high92.8Very high5 Ų554.9 Ų54.94%0.04131%0.312CS..Hα-helixtrans-61.1-44.4177.600000112L119 A120 L123 G131 A132 V133 S138 A139L119-A135 HydrophobicContact CD2-CB 4.2Å; L119-A135 HydrophobicContact CG-CB 4.2Å; A120-A135 HydrophobicContact CB-CB 3.81Å; L123-A135 HydrophobicContact CD1-CB 4.31Å; G131-A135 WeakPolarHBondContact O-CB 3.5Å; G131-A135 PolarHBondContact O-N 3.39Å; A132-A135 PolarHBondContact O-N 3.22Å; V133-A135 VanDerWaalsContact C-N 3.35Å; V133-A135 PolarHBondContact O-N 3.23Å; A135-S138 PolarHBondContact O-N 3.37Å; A135-A139 PolarHBondContact O-N 3.35Å
136Y95.6Very high92.9Very high20 Ų2053.8 Ų53.88%0.07830%0.297CS..Hα-helixtrans-65.5-40.8174.8-76.3-46.2000113.1A120 A132 V133 Q134 S138 A139 L140 V149 D152 L153 L156A120-Y136 HydrophobicContact CB-CD1 3.58Å; A120-Y136 HydrophobicContact CB-CD2 3.86Å; A120-Y136 HydrophobicContact CB-CE1 3.46Å; A120-Y136 VanDerWaalsContact CB-CE1 3.46Å; A120-Y136 HydrophobicContact CB-CE2 3.72Å; A120-Y136 HydrophobicContact CB-CG 3.8Å; A132-Y136 WeakPolarHBondContact O-CD2 3.22Å; A132-Y136 PolarHBondContact O-N 3.03Å; V133-Y136 PolarHBondContact O-N 3.03Å; Q134-Y136 PolarHBondContact O-N 2.94Å; Y136-S138 VanDerWaalsContact C-N 3.33Å; Y136-S138 PolarHBondContact O-N 2.79Å; Y136-A139 WeakPolarHBondContact O-CB 3.39Å; Y136-A139 PolarHBondContact O-N 3.02Å; Y136-L140 WeakPolarHBondContact O-CG 3.41Å; Y136-L140 PolarHBondContact O-N 3.47Å; Y136-V149 HydrophobicContact CD1-CG1 3.42Å; Y136-V149 VanDerWaalsContact CD1-CG1 3.42Å; Y136-V149 HydrophobicContact CE1-CG1 3.97Å; Y136-V149 HydrophobicContact CG-CG1 4.27Å; Y136-D152 HydrophobicContact CE1-CB 4.47Å; Y136-D152 HydrophobicContact CE2-CB 4.37Å; Y136-L153 HydrophobicContact CD2-CB 4.34Å; Y136-L153 HydrophobicContact CG-CB 4.4Å; Y136-L156 HydrophobicContact CD2-CD2 4.28Å; Y136-L156 HydrophobicContact CE2-CD2 4.37Å
137V94.8Very high93Very high58 Ų5855.5 Ų55.535%0.35230%0.295SS..Hα-helixtrans-60.8-44.2175.6169.60000110.6V133 Q134 L140 Q141 L153V133-V137 HydrophobicContact CG1-CG2 4.33Å; V133-V137 VanDerWaalsContact O-CG2 3.3Å; V133-V137 WeakPolarHBondContact O-CG2 3.49Å; V133-V137 PolarHBondContact O-N 2.95Å; Q134-V137 PolarHBondContact O-N 2.84Å; V137-L140 PolarHBondContact O-N 2.91Å; V137-Q141 WeakPolarHBondContact O-CG 3.46Å; V137-Q141 PolarHBondContact O-N 2.77Å; V137-L153 HydrophobicContact CG2-CD2 3.98Å
138S94.4Very high93.1Very high33 Ų3355.8 Ų55.823%0.23129%0.287CS..Hα-helixtrans-61.6-43175-66.50000112.1Y116 Q134 A135 Y136 L140 Q141 Y142Y116-S138 VanDerWaalsContact CE1-CB 3.45Å; Q134-S138 PolarHBondContact O-N 3.12Å; Q134-S138 PolarHBondContact O-OG 3.4Å; A135-S138 PolarHBondContact O-N 3.37Å; Y136-S138 VanDerWaalsContact C-N 3.33Å; Y136-S138 PolarHBondContact O-N 2.79Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 2.93Å; S138-Q141 WeakPolarHBondContact O-CB 3.38Å; S138-Q141 PolarHBondContact O-N 3.37Å; S138-Q141 VanDerWaalsContact O-N 3.16Å; S138-Y142 VanDerWaalsContact O-CD2 3.24Å; S138-Y142 WeakPolarHBondContact O-CD2 3.43Å; S138-Y142 PolarHBondContact O-N 3.01Å
139A93.4Very high93.1Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-56.7-43.6174.400000112.1Y116 I117 A135 Y136 Q141 Y142 N143 V149Y116-A139 HydrophobicContact CG-CB 4.46Å; I117-A139 HydrophobicContact CG1-CB 4.42Å; A135-A139 PolarHBondContact O-N 3.35Å; Y136-A139 WeakPolarHBondContact O-CB 3.39Å; Y136-A139 PolarHBondContact O-N 3.02Å; A139-Q141 VanDerWaalsContact C-N 3.34Å; A139-Q141 PolarHBondContact O-N 3.06Å; A139-Y142 PolarHBondContact O-N 3.14Å; A139-N143 PolarHBondContact O-N 3.39Å; A139-V149 HydrophobicContact CB-CG1 4.35Å
140L93Very high93.3Very high10 Ų1051.1 Ų51.15%0.05226%0.262CS..Hα-helixtrans-74.6-19.7-180-67171000113.9Y136 V137 S138 N143 P144 L146 V149 R150 L153Y136-L140 WeakPolarHBondContact O-CG 3.41Å; Y136-L140 PolarHBondContact O-N 3.47Å; V137-L140 PolarHBondContact O-N 2.91Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 2.93Å; L140-N143 CarbonylContact O-C 3.56Å; L140-P144 VanDerWaalsContact O-CA 3.3Å; L140-P144 WeakPolarHBondContact O-CA 3.44Å; L140-L146 HydrophobicContact CD2-CB 4.02Å; L140-V149 HydrophobicContact CD2-CB 4.28Å; L140-V149 HydrophobicContact CD2-CG1 4.28Å; L140-V149 HydrophobicContact CG-CG1 4.26Å; L140-R150 HydrophobicContact CD1-CB 3.92Å; L140-R150 HydrophobicContact CD1-CG 4.21Å; L140-R150 HydrophobicContact CD2-CB 4.02Å; L140-L153 HydrophobicContact CD1-CD2 3.83Å
141Q93Very high93.3Very high140 Ų14047.6 Ų47.665%0.65425%0.245SC*.Hα-helixtrans-70.3-38.8170.7-77.2175.8-9.400111.5V137 S138 A139V137-Q141 WeakPolarHBondContact O-CG 3.46Å; V137-Q141 PolarHBondContact O-N 2.77Å; S138-Q141 WeakPolarHBondContact O-CB 3.38Å; S138-Q141 PolarHBondContact O-N 3.37Å; S138-Q141 VanDerWaalsContact O-N 3.16Å; A139-Q141 VanDerWaalsContact C-N 3.34Å; A139-Q141 PolarHBondContact O-N 3.06Å
142Y91.3Very high93.3Very high108 Ų10850.4 Ų50.442%0.42426%0.257SS..Hα-helixtrans-76.9-38.9177.1-73.3-73.8000112.7P110 D111 Y116 S138 A139P110-Y142 WeakPolarHBondContact CB-OH 3.42Å; P110-Y142 WeakPolarHBondContact O-CE2 3.49Å; P110-Y142 PolarHBondContact O-OH 3.4Å; D111-Y142 HydrophobicContact CB-CD1 3.81Å; D111-Y142 HydrophobicContact CB-CE1 3.8Å; Y116-Y142 HydrophobicContact CD2-CD2 4.39Å; Y116-Y142 AromaticContact CE2-CD2 3.71Å; Y116-Y142 HydrophobicContact CE2-CD2 3.71Å; Y116-Y142 AromaticContact CE2-CE2 3.59Å; Y116-Y142 HydrophobicContact CE2-CE2 3.59Å; Y116-Y142 AromaticContact CZ-CE2 3.91Å; S138-Y142 VanDerWaalsContact O-CD2 3.24Å; S138-Y142 WeakPolarHBondContact O-CD2 3.43Å; S138-Y142 PolarHBondContact O-N 3.01Å; A139-Y142 PolarHBondContact O-N 3.14Å
143N90.3Very high93.3Very high51 Ų5150.9 Ų50.927%0.27326%0.26SS..  trans-136.998.1173.3-174-7.8000111.3I113 A139 L140 D145 L146I113-N143 HydrophobicContact CD1-CB 3.57Å; A139-N143 PolarHBondContact O-N 3.39Å; L140-N143 CarbonylContact O-C 3.56Å; N143-D145 PolarHBondContact O-N 3.13Å; N143-D145 PolarHBondContact OD1-N 3.17Å; N143-L146 HydrophobicContact CB-CD1 3.88Å; N143-L146 HydrophobicContact CB-CG 3.99Å
144P90.8Very high93.2Very high68 Ų6850.2 Ų50.244%0.44226%0.256SS..THydrogen-bonded Turntrans-64.6-17.2178.9-23.634.5000114.8L140 L146 R150L140-P144 VanDerWaalsContact O-CA 3.3Å; L140-P144 WeakPolarHBondContact O-CA 3.44Å; P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 2.84Å; P144-R150 PolarHBondContact O-NH1 3.01Å
145D90Very high93.1Very high112 Ų11246 Ų4660%0.59924%0.238SC*.THydrogen-bonded Turntrans-87.41.9-172.6-62.1-34.6000113.6N143 Y147 T176N143-D145 PolarHBondContact O-N 3.13Å; N143-D145 PolarHBondContact OD1-N 3.17Å; D145-Y147 VanDerWaalsContact C-N 3.26Å; D145-Y147 PolarHBondContact O-N 3.38Å; D145-T176 HydrophobicContact CB-CG2 4.22Å; D145-T176 WeakPolarHBondContact O-CG2 3.24Å
146L92.4Very high93.1Very high43 Ų4346.6 Ų46.623%0.22524%0.24CC..  trans-74.972.4177.8-61171.6000111.9I113 L140 N143 P144 C148 V149 R150I113-L146 HydrophobicContact CG2-CD1 3.47Å; I113-L146 VanDerWaalsContact CG2-CD1 3.47Å; L140-L146 HydrophobicContact CD2-CB 4.02Å; N143-L146 HydrophobicContact CB-CD1 3.88Å; N143-L146 HydrophobicContact CB-CG 3.99Å; P144-L146 VanDerWaalsContact C-N 3.32Å; P144-L146 PolarHBondContact O-N 2.84Å; L146-C148 VanDerWaalsContact C-N 3.31Å; L146-C148 PolarHBondContact O-N 3.19Å; L146-V149 HydrophobicContact CB-CB 3.95Å; L146-V149 HydrophobicContact CB-CG2 3.89Å; L146-V149 HydrophobicContact CD1-CG2 4.29Å; L146-V149 PolarHBondContact O-N 3.49Å; L146-V149 VanDerWaalsContact O-N 3.15Å; L146-R150 PolarHBondContact O-N 3.33Å
147Y92.3Very high93Very high80 Ų8045.8 Ų45.831%0.31424%0.237SC..Hα-helixtrans-59.2-34.4-175.866.5-91.2000113.9D145 R150 S151 T176 Q177 F180D145-Y147 VanDerWaalsContact C-N 3.26Å; D145-Y147 PolarHBondContact O-N 3.38Å; Y147-R150 PolarHBondContact O-N 2.76Å; Y147-S151 PolarHBondContact O-N 2.85Å; Y147-T176 HydrophobicContact CD1-CG2 4.44Å; Y147-Q177 HydrophobicContact CD1-CB 3.79Å; Y147-Q177 HydrophobicContact CD1-CG 4.42Å; Y147-Q177 HydrophobicContact CD2-CB 3.93Å; Y147-Q177 HydrophobicContact CD2-CG 4.36Å; Y147-Q177 HydrophobicContact CE1-CB 4.08Å; Y147-Q177 HydrophobicContact CE1-CG 4.2Å; Y147-Q177 HydrophobicContact CE2-CB 4.21Å; Y147-Q177 HydrophobicContact CE2-CG 4.14Å; Y147-Q177 HydrophobicContact CG-CB 3.72Å; Y147-F180 HydrophobicContact CD2-CB 4.3Å; Y147-F180 AromaticContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD2 4.24Å; Y147-F180 AromaticContact CD2-CE1 3.93Å; Y147-F180 HydrophobicContact CD2-CE1 3.93Å; Y147-F180 AromaticContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CZ 4.36Å; Y147-F180 HydrophobicContact CE2-CB 4.43Å; Y147-F180 HydrophobicContact CE2-CD1 4.21Å; Y147-F180 AromaticContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CE1 4.43Å; Y147-F180 HydrophobicContact CE2-CE2 4.21Å; Y147-F180 AromaticContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CZ 4.45Å
148C92Very high92.8Very high58 Ų5846.2 Ų46.239%0.39223%0.234SC..Hα-helixtrans-61.7-49.4174.4-63.90000111.3L146 R150 S151 D152L146-C148 VanDerWaalsContact C-N 3.31Å; L146-C148 PolarHBondContact O-N 3.19Å; C148-R150 VanDerWaalsContact C-N 3.28Å; C148-R150 PolarHBondContact O-N 2.87Å; C148-S151 WeakPolarHBondContact O-CB 3.32Å; C148-S151 PolarHBondContact O-N 3.1Å; C148-S151 VanDerWaalsContact O-N 3.08Å; C148-D152 PolarHBondContact O-N 2.81Å
149V93.4Very high92.5Very high11 Ų1148.2 Ų48.27%0.06725%0.253CS..Hα-helixtrans-60.9-40.1178.2-179.70000110.7I117 Y136 A139 L140 L146 S151 D152 L153I117-V149 HydrophobicContact CD1-CG2 3.63Å; I117-V149 HydrophobicContact CG1-CG2 3.92Å; Y136-V149 HydrophobicContact CD1-CG1 3.42Å; Y136-V149 VanDerWaalsContact CD1-CG1 3.42Å; Y136-V149 HydrophobicContact CE1-CG1 3.97Å; Y136-V149 HydrophobicContact CG-CG1 4.27Å; A139-V149 HydrophobicContact CB-CG1 4.35Å; L140-V149 HydrophobicContact CD2-CB 4.28Å; L140-V149 HydrophobicContact CD2-CG1 4.28Å; L140-V149 HydrophobicContact CG-CG1 4.26Å; L146-V149 HydrophobicContact CB-CB 3.95Å; L146-V149 HydrophobicContact CB-CG2 3.89Å; L146-V149 HydrophobicContact CD1-CG2 4.29Å; L146-V149 PolarHBondContact O-N 3.49Å; L146-V149 VanDerWaalsContact O-N 3.15Å; V149-S151 VanDerWaalsContact C-N 3.35Å; V149-S151 PolarHBondContact O-N 2.94Å; V149-D152 PolarHBondContact O-N 2.79Å; V149-L153 PolarHBondContact O-N 2.93Å
150R95.4Very high92.4Very high38 Ų3851.2 Ų51.214%0.14327%0.268CS..Hα-helixtrans-65.8-35.9176-175.3170.1-89.9104.60.3112.8L140 P144 L146 Y147 C148 G154 C169 A173L140-R150 HydrophobicContact CD1-CB 3.92Å; L140-R150 HydrophobicContact CD1-CG 4.21Å; L140-R150 HydrophobicContact CD2-CB 4.02Å; P144-R150 PolarHBondContact O-NH1 3.01Å; L146-R150 PolarHBondContact O-N 3.33Å; Y147-R150 PolarHBondContact O-N 2.76Å; C148-R150 VanDerWaalsContact C-N 3.28Å; C148-R150 PolarHBondContact O-N 2.87Å; R150-G154 PolarHBondContact O-N 3.38Å; R150-C169 WeakPolarHBondContact CD-O 3.46Å; R150-C169 HydrophobicContact CG-CB 4.06Å; R150-C169 WeakPolarHBondContact CG-O 3.46Å; R150-A173 HydrophobicContact CB-CB 4.38Å; R150-A173 HydrophobicContact CG-CB 4.34Å
151S93.5Very high92.1Very high1 Ų153.4 Ų53.41%0.00729%0.293CS..Hα-helixtrans-69.7-37.5172.9178.20000112.5Y147 C148 V149 L153 G154 N155Y147-S151 PolarHBondContact O-N 2.85Å; C148-S151 WeakPolarHBondContact O-CB 3.32Å; C148-S151 PolarHBondContact O-N 3.1Å; C148-S151 VanDerWaalsContact O-N 3.08Å; V149-S151 VanDerWaalsContact C-N 3.35Å; V149-S151 PolarHBondContact O-N 2.94Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-G154 CarbonylContact O-C 3.41Å; S151-G154 WeakPolarHBondContact O-CA 3.48Å; S151-G154 PolarHBondContact O-N 2.87Å; S151-G154 VanDerWaalsContact O-N 3.14Å; S151-N155 VanDerWaalsContact O-CG 3.24Å; S151-N155 PolarHBondContact O-N 3.23Å; S151-N155 PolarHBondContact O-ND2 3.03Å; S151-N155 PolarHBondContact O-OD1 3.33Å
152D92.9Very high92.1Very high72 Ų7251 Ų5139%0.38528%0.278SS..Hα-helixtrans-64.7-39.8174.7-68.3-24.8000111.5Y136 C148 V149 G154 N155 L156Y136-D152 HydrophobicContact CE1-CB 4.47Å; Y136-D152 HydrophobicContact CE2-CB 4.37Å; C148-D152 PolarHBondContact O-N 2.81Å; V149-D152 PolarHBondContact O-N 2.79Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.04Å; D152-N155 WeakPolarHBondContact O-CB 3.49Å; D152-N155 PolarHBondContact O-N 2.83Å; D152-L156 PolarHBondContact O-N 3.14Å
153L95.6Very high92.1Very high10 Ų1048.2 Ų48.25%0.05227%0.27CS..Hα-helixtrans-58.4-45.1168.817559.9000111.4V133 Y136 V137 L140 V149 S151 N155 L156 L157V133-L153 HydrophobicContact CB-CD1 4.25Å; V133-L153 HydrophobicContact CG1-CD1 3.99Å; V133-L153 HydrophobicContact CG2-CD1 4.11Å; Y136-L153 HydrophobicContact CD2-CB 4.34Å; Y136-L153 HydrophobicContact CG-CB 4.4Å; V137-L153 HydrophobicContact CG2-CD2 3.98Å; L140-L153 HydrophobicContact CD1-CD2 3.83Å; V149-L153 PolarHBondContact O-N 2.93Å; S151-L153 VanDerWaalsContact C-N 3.34Å; L153-N155 VanDerWaalsContact C-N 3.32Å; L153-N155 PolarHBondContact O-N 3.32Å; L153-L156 PolarHBondContact O-N 3.06Å; L153-L157 HydrophobicContact CD1-CD1 3.97Å; L153-L157 HydrophobicContact CD1-CG 4.12Å; L153-L157 HydrophobicContact CG-CD1 3.87Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.34Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.28Å
154G94.5Very high92.1Very high0 Ų051.1 Ų51.10%028%0.282CS..Hα-helixtrans-58.4-42.1174.800000112.8R150 S151 D152 L157 K158 A166 Y170R150-G154 PolarHBondContact O-N 3.38Å; S151-G154 CarbonylContact O-C 3.41Å; S151-G154 WeakPolarHBondContact O-CA 3.48Å; S151-G154 PolarHBondContact O-N 2.87Å; S151-G154 VanDerWaalsContact O-N 3.14Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.04Å; G154-L157 PolarHBondContact O-N 3.39Å; G154-K158 WeakPolarHBondContact O-CB 3.42Å; G154-K158 PolarHBondContact O-N 2.93Å; G154-A166 WeakPolarHBondContact O-CB 3.3Å; G154-Y170 VanDerWaalsContact C-CZ 3.42Å; G154-Y170 PolarHBondContact O-OH 3.39Å
155N92.9Very high92.3Very high49 Ų4952.7 Ų52.726%0.26228%0.284SS..Hα-helixtrans-62.3-43.6177.2-67.3-20.9000111.8S151 D152 L153 K158 A159 Y170 N186S151-N155 VanDerWaalsContact O-CG 3.24Å; S151-N155 PolarHBondContact O-N 3.23Å; S151-N155 PolarHBondContact O-ND2 3.03Å; S151-N155 PolarHBondContact O-OD1 3.33Å; D152-N155 WeakPolarHBondContact O-CB 3.49Å; D152-N155 PolarHBondContact O-N 2.83Å; L153-N155 VanDerWaalsContact C-N 3.32Å; L153-N155 PolarHBondContact O-N 3.32Å; N155-K158 PolarHBondContact O-N 3.41Å; N155-A159 PolarHBondContact O-N 3.21Å; N155-Y170 VanDerWaalsContact CA-OH 3.25Å; N155-Y170 WeakPolarHBondContact CA-OH 3.37Å; N155-Y170 PolarHBondContact N-OH 2.82Å; N155-Y170 VanDerWaalsContact N-OH 3.14Å; N155-Y170 WeakPolarHBondContact OD1-CE1 3.16Å; N155-Y170 PolarHBondContact OD1-OH 2.9Å; N155-N186 VanDerWaalsContact OD1-CG 3.3Å; N155-N186 PolarHBondContact OD1-ND2 3.17Å
156L93.4Very high92.5Very high16 Ų1647.3 Ų47.38%0.08426%0.255CS..Hα-helixtrans-64.4-44.4176.7-175.260.3000111.7V124 M129 A132 V133 Y136 D152 L153 K158 A159 L160V124-L156 HydrophobicContact CG2-CD1 4.23Å; V124-L156 HydrophobicContact CG2-CD2 4.25Å; M129-L156 HydrophobicContact CB-CD1 4.09Å; M129-L156 HydrophobicContact CG-CD1 4.12Å; M129-L156 HydrophobicContact SD-CD1 4.21Å; A132-L156 HydrophobicContact CB-CD2 3.65Å; V133-L156 HydrophobicContact CG2-CD2 3.61Å; V133-L156 HydrophobicContact CG2-CG 4Å; Y136-L156 HydrophobicContact CD2-CD2 4.28Å; Y136-L156 HydrophobicContact CE2-CD2 4.37Å; D152-L156 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 3.06Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.92Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 3Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.13Å
157L93.8Very high92.6Very high4 Ų447.5 Ų47.52%0.02125%0.254CS..Hα-helixtrans-63.8-38.2176.2-71165.9000112.3V133 L153 G154 L160 G161 R162 E165 A166 C169V133-L157 HydrophobicContact CG2-CD2 4.24Å; L153-L157 HydrophobicContact CD1-CD1 3.97Å; L153-L157 HydrophobicContact CD1-CG 4.12Å; L153-L157 HydrophobicContact CG-CD1 3.87Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.34Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.28Å; G154-L157 PolarHBondContact O-N 3.39Å; L157-L160 CarbonylContact O-C 3.32Å; L157-L160 PolarHBondContact O-N 3.39Å; L157-G161 PolarHBondContact O-N 2.74Å; L157-R162 HydrophobicContact CB-CB 4.41Å; L157-R162 HydrophobicContact CD2-CB 4.24Å; L157-R162 PolarHBondContact O-N 3.1Å; L157-E165 HydrophobicContact CD1-CB 3.89Å; L157-E165 HydrophobicContact CD2-CB 4.26Å; L157-A166 HydrophobicContact CB-CB 3.92Å; L157-C169 VanDerWaalsContact CD1-SG 3.59Å
158K90.5Very high92.7Very high67 Ų6746.4 Ų46.429%0.29126%0.262SS..Hα-helixtrans-61.7-44.6173.5-171.2-178.477.5-174.70110.9G154 N155 L156 L160 G161 L163 A166 N186 V190G154-K158 WeakPolarHBondContact O-CB 3.42Å; G154-K158 PolarHBondContact O-N 2.93Å; N155-K158 PolarHBondContact O-N 3.41Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 2.92Å; K158-L160 PolarHBondContact O-N 3.06Å; K158-G161 PolarHBondContact O-N 2.99Å; K158-L163 HydrophobicContact CG-CD2 4.23Å; K158-A166 HydrophobicContact CB-CB 4.09Å; K158-N186 PolarHBondContact NZ-OD1 3.09Å; K158-V190 HydrophobicContact CD-CG2 4.19Å; K158-V190 HydrophobicContact CG-CG2 4.46Å
159A88.8Confident92.8Very high75 Ų7544.4 Ų44.462%0.6225%0.248SC*.Hα-helixtrans-63-30.9176.400000112.7N155 L156 G161N155-A159 PolarHBondContact O-N 3.21Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 3Å; A159-G161 VanDerWaalsContact C-N 3.27Å; A159-G161 PolarHBondContact O-N 3.12Å
160L90.2Very high92.9Very high62 Ų6243.9 Ų43.933%0.32525%0.245SC..THydrogen-bonded Turntrans-79.2-0.9173.1-70.1171.4000114.3M129 V133 L156 L157 K158 R162M129-L160 HydrophobicContact CB-CD1 4.28Å; M129-L160 HydrophobicContact CB-CD2 3.92Å; M129-L160 HydrophobicContact CB-CG 4.4Å; M129-L160 HydrophobicContact CG-CD2 4.42Å; M129-L160 HydrophobicContact SD-CD2 3.67Å; M129-L160 HydrophobicContact SD-CG 4.2Å; V133-L160 HydrophobicContact CG2-CD1 4.09Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 3.13Å; L157-L160 CarbonylContact O-C 3.32Å; L157-L160 PolarHBondContact O-N 3.39Å; K158-L160 PolarHBondContact O-N 3.06Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 HydrophobicContact CB-CG 4.46Å; L160-R162 PolarHBondContact O-N 3.09Å
161G87.7Confident92.9Very high56 Ų5646 Ų4658%0.57726%0.259SS*.THydrogen-bonded Turntrans75.77-176.900000114.9L157 K158 A159 L163L157-G161 PolarHBondContact O-N 2.74Å; K158-G161 PolarHBondContact O-N 2.99Å; A159-G161 VanDerWaalsContact C-N 3.27Å; A159-G161 PolarHBondContact O-N 3.12Å; G161-L163 VanDerWaalsContact C-N 3.25Å; G161-L163 PolarHBondContact O-N 3.18Å
162R92.2Very high92.9Very high90 Ų9050 Ų5034%0.3428%0.276SS..  trans-83.565.8178.1-66.8176175.9173.37.2110.8E130 L157 L160 E164 E165 A166E130-R162 IonicContact OE1-CZ 3.79Å; E130-R162 IonicContact OE1-NH1 2.76Å; E130-R162 PolarHBondContact OE1-NH1 2.96Å; E130-R162 IonicContact OE1-NH2 2.88Å; E130-R162 PolarHBondContact OE1-NH2 2.97Å; E130-R162 IonicContact OE2-NH1 3.92Å; E130-R162 PolarHBondContact OE2-NH1 3.24Å; L157-R162 HydrophobicContact CB-CB 4.41Å; L157-R162 HydrophobicContact CD2-CB 4.24Å; L157-R162 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 HydrophobicContact CB-CG 4.46Å; L160-R162 PolarHBondContact O-N 3.09Å; R162-E164 PolarHBondContact O-N 3.49Å; R162-E165 HydrophobicContact CB-CB 4.33Å; R162-E165 WeakPolarHBondContact CD-OE1 3.46Å; R162-E165 PolarHBondContact O-N 2.9Å; R162-A166 PolarHBondContact O-N 2.86Å
163L90.7Very high92.9Very high49 Ų4946.5 Ų46.526%0.25726%0.257SS..Hα-helixtrans-60.4-38.6-169.3-64-179.1000114K158 G161 A166 K167 V190 A193 Q194K158-L163 HydrophobicContact CG-CD2 4.23Å; G161-L163 VanDerWaalsContact C-N 3.25Å; G161-L163 PolarHBondContact O-N 3.18Å; L163-A166 PolarHBondContact O-N 3Å; L163-K167 VanDerWaalsContact O-CB 3.28Å; L163-K167 WeakPolarHBondContact O-CB 3.39Å; L163-K167 PolarHBondContact O-N 3.04Å; L163-V190 HydrophobicContact CB-CG1 4.21Å; L163-A193 HydrophobicContact CD1-CB 4.27Å; L163-Q194 HydrophobicContact CD1-CG 4.46Å
164E91.7Very high92.9Very high113 Ų11346.8 Ų46.853%0.52826%0.259SS..Hα-helixtrans-69.8-37.7179.1-73.3-57143.500112.8R162 K167 A168 Q194R162-E164 PolarHBondContact O-N 3.49Å; E164-K167 WeakPolarHBondContact O-CB 3.38Å; E164-K167 PolarHBondContact O-N 3.23Å; E164-K167 IonicContact OE2-NZ 3.08Å; E164-A168 PolarHBondContact O-N 3.3Å; E164-Q194 PolarHBondContact OE1-NE2 3.06Å
165E93.8Very high92.8Very high100 Ų10053 Ų5347%0.46729%0.288SS..Hα-helixtrans-69.9-39.7175.2-64.2179.5-108.500111.1L157 R162 K167 A168 C169L157-E165 HydrophobicContact CD1-CB 3.89Å; L157-E165 HydrophobicContact CD2-CB 4.26Å; R162-E165 HydrophobicContact CB-CB 4.33Å; R162-E165 WeakPolarHBondContact CD-OE1 3.46Å; R162-E165 PolarHBondContact O-N 2.9Å; E165-K167 VanDerWaalsContact C-N 3.35Å; E165-K167 PolarHBondContact O-N 2.78Å; E165-A168 PolarHBondContact O-N 2.75Å; E165-C169 PolarHBondContact O-N 3.47Å; E165-C169 PolarHBondContact O-SG 2.74Å
166A94.7Very high92.8Very high0 Ų052.6 Ų52.60%029%0.287CS..Hα-helixtrans-59.8-46173.600000111.3G154 L157 K158 R162 L163 A168 C169 Y170G154-A166 WeakPolarHBondContact O-CB 3.3Å; L157-A166 HydrophobicContact CB-CB 3.92Å; K158-A166 HydrophobicContact CB-CB 4.09Å; R162-A166 PolarHBondContact O-N 2.86Å; L163-A166 PolarHBondContact O-N 3Å; A166-A168 PolarHBondContact O-N 2.82Å; A166-C169 WeakPolarHBondContact O-CB 3.24Å; A166-C169 PolarHBondContact O-N 2.86Å; A166-C169 VanDerWaalsContact O-N 3.16Å; A166-Y170 HydrophobicContact CB-CE2 4.02Å; A166-Y170 WeakPolarHBondContact O-CD2 3.37Å; A166-Y170 PolarHBondContact O-N 2.95Å
167K94.2Very high92.8Very high46 Ų4655.2 Ų55.220%0.230%0.299CS..Hα-helixtrans-57.2-47.5175.1179.1179.2177.7-177.70112L163 E164 E165 C169 Y170 L171 L187 V190L163-K167 VanDerWaalsContact O-CB 3.28Å; L163-K167 WeakPolarHBondContact O-CB 3.39Å; L163-K167 PolarHBondContact O-N 3.04Å; E164-K167 WeakPolarHBondContact O-CB 3.38Å; E164-K167 PolarHBondContact O-N 3.23Å; E164-K167 IonicContact OE2-NZ 3.08Å; E165-K167 VanDerWaalsContact C-N 3.35Å; E165-K167 PolarHBondContact O-N 2.78Å; K167-C169 VanDerWaalsContact C-N 3.29Å; K167-C169 PolarHBondContact O-N 2.92Å; K167-Y170 PolarHBondContact O-N 2.82Å; K167-L171 HydrophobicContact CG-CD1 4.04Å; K167-L171 WeakPolarHBondContact O-CB 3.15Å; K167-L171 WeakPolarHBondContact O-CG 3.25Å; K167-L171 PolarHBondContact O-N 3.36Å; K167-L187 HydrophobicContact CB-CD1 4.38Å; K167-L187 HydrophobicContact CG-CD1 3.8Å; K167-V190 HydrophobicContact CB-CG1 4.28Å
168A94.7Very high92.8Very high58 Ų5858.5 Ų58.548%0.47932%0.321SS..Hα-helixtrans-60-39.9176.700000111.9E164 E165 A166 K172E164-A168 PolarHBondContact O-N 3.3Å; E165-A168 PolarHBondContact O-N 2.75Å; A166-A168 PolarHBondContact O-N 2.82Å; A168-K172 WeakPolarHBondContact O-CB 3.49Å; A168-K172 PolarHBondContact O-N 3.45Å
169C94.6Very high92.9Very high15 Ų1560.7 Ų60.710%0.10134%0.335CS..Hα-helixtrans-63.1-48.7175.6-68.60000112R150 L157 E165 A166 K167 K172 A173R150-C169 WeakPolarHBondContact CD-O 3.46Å; R150-C169 HydrophobicContact CG-CB 4.06Å; R150-C169 WeakPolarHBondContact CG-O 3.46Å; L157-C169 VanDerWaalsContact CD1-SG 3.59Å; E165-C169 PolarHBondContact O-N 3.47Å; E165-C169 PolarHBondContact O-SG 2.74Å; A166-C169 WeakPolarHBondContact O-CB 3.24Å; A166-C169 PolarHBondContact O-N 2.86Å; A166-C169 VanDerWaalsContact O-N 3.16Å; K167-C169 VanDerWaalsContact C-N 3.29Å; K167-C169 PolarHBondContact O-N 2.92Å; C169-K172 PolarHBondContact O-N 3.48Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 3.14Å
170Y95.6Very high93.1Very high0 Ų058.9 Ų58.90%031%0.313CS..Hα-helixtrans-64.7-43.2179.8-59.7-47.9000112.6G154 N155 A166 K167 K172 A173 I174 N186 L187 V190G154-Y170 VanDerWaalsContact C-CZ 3.42Å; G154-Y170 PolarHBondContact O-OH 3.39Å; N155-Y170 VanDerWaalsContact CA-OH 3.25Å; N155-Y170 WeakPolarHBondContact CA-OH 3.37Å; N155-Y170 PolarHBondContact N-OH 2.82Å; N155-Y170 VanDerWaalsContact N-OH 3.14Å; N155-Y170 WeakPolarHBondContact OD1-CE1 3.16Å; N155-Y170 PolarHBondContact OD1-OH 2.9Å; A166-Y170 HydrophobicContact CB-CE2 4.02Å; A166-Y170 WeakPolarHBondContact O-CD2 3.37Å; A166-Y170 PolarHBondContact O-N 2.95Å; K167-Y170 PolarHBondContact O-N 2.82Å; Y170-K172 VanDerWaalsContact C-N 3.32Å; Y170-K172 PolarHBondContact O-N 2.84Å; Y170-A173 PolarHBondContact O-N 3.34Å; Y170-I174 VanDerWaalsContact O-CG1 3.28Å; Y170-I174 WeakPolarHBondContact O-CG1 3.35Å; Y170-I174 PolarHBondContact O-N 2.88Å; Y170-N186 HydrophobicContact CD1-CB 3.96Å; Y170-N186 HydrophobicContact CD2-CB 4.19Å; Y170-N186 HydrophobicContact CE1-CB 3.53Å; Y170-N186 HydrophobicContact CE2-CB 3.8Å; Y170-N186 HydrophobicContact CG-CB 4.27Å; Y170-N186 VanDerWaalsContact CZ-CB 3.43Å; Y170-L187 HydrophobicContact CD2-CB 4.49Å; Y170-V190 HydrophobicContact CD2-CG2 4.23Å; Y170-V190 HydrophobicContact CE2-CG2 3.85Å
171L94.4Very high93.3Very high84 Ų8456.3 Ų56.344%0.4430%0.301SS..Hα-helixtrans-59.1-45176.3-75.8171.8000111.4K167 I174 E175 L187K167-L171 HydrophobicContact CG-CD1 4.04Å; K167-L171 WeakPolarHBondContact O-CB 3.15Å; K167-L171 WeakPolarHBondContact O-CG 3.25Å; K167-L171 PolarHBondContact O-N 3.36Å; L171-I174 PolarHBondContact O-N 2.82Å; L171-E175 PolarHBondContact O-N 3.11Å; L171-L187 HydrophobicContact CD2-CD2 3.62Å; L171-L187 HydrophobicContact CG-CD2 4.1Å
172K93.6Very high93.6Very high83 Ų8356.2 Ų56.236%0.36129%0.289SS..Hα-helixtrans-71-32.5179.7-172.565.9-179.4-178.30112.3A168 C169 Y170 E175 T176A168-K172 WeakPolarHBondContact O-CB 3.49Å; A168-K172 PolarHBondContact O-N 3.45Å; C169-K172 PolarHBondContact O-N 3.48Å; Y170-K172 VanDerWaalsContact C-N 3.32Å; Y170-K172 PolarHBondContact O-N 2.84Å; K172-E175 HydrophobicContact CD-CB 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.38Å; K172-E175 WeakPolarHBondContact CE-OE2 3.35Å; K172-E175 IonicContact NZ-OE1 2.83Å; K172-E175 PolarHBondContact NZ-OE1 3.41Å; K172-E175 IonicContact NZ-OE2 2.73Å; K172-E175 PolarHBondContact NZ-OE2 2.91Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-T176 PolarHBondContact O-N 2.95Å; K172-T176 VanDerWaalsContact O-N 3.09Å; K172-T176 PolarHBondContact O-OG1 3.45Å; K172-T176 VanDerWaalsContact O-OG1 3.13Å
173A93.8Very high93.6Very high0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-64-39.3171.100000112.3R150 C169 Y170 T176 Q177 A183R150-A173 HydrophobicContact CB-CB 4.38Å; R150-A173 HydrophobicContact CG-CB 4.34Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 3.14Å; Y170-A173 PolarHBondContact O-N 3.34Å; A173-T176 PolarHBondContact O-N 3.35Å; A173-Q177 PolarHBondContact O-N 3.14Å; A173-A183 HydrophobicContact CB-CB 4.3Å
174I94.5Very high93.9Very high16 Ų1651.5 Ų51.58%0.08227%0.268CS..Hα-helixtrans-67.1-40.3174.4-69.3163.5000111.1Y170 L171 T176 Q177 P178 A183 W184 L187Y170-I174 VanDerWaalsContact O-CG1 3.28Å; Y170-I174 WeakPolarHBondContact O-CG1 3.35Å; Y170-I174 PolarHBondContact O-N 2.88Å; L171-I174 PolarHBondContact O-N 2.82Å; I174-T176 VanDerWaalsContact C-N 3.3Å; I174-T176 PolarHBondContact O-N 3.41Å; I174-Q177 CarbonylContact O-C 3.14Å; I174-Q177 PolarHBondContact O-N 2.95Å; I174-P178 WeakPolarHBondContact O-CA 3.44Å; I174-P178 WeakPolarHBondContact O-CD 3.29Å; I174-A183 HydrophobicContact CD1-CB 4.25Å; I174-A183 HydrophobicContact CG1-CB 3.74Å; I174-W184 HydrophobicContact CD1-CD2 3.73Å; I174-W184 HydrophobicContact CD1-CE3 4.1Å; I174-W184 HydrophobicContact CD1-CG 3.99Å; I174-W184 HydrophobicContact CD1-CZ2 4.35Å; I174-W184 HydrophobicContact CG1-CD2 4.29Å; I174-W184 HydrophobicContact CG1-CG 4.33Å; I174-W184 HydrophobicContact CG2-CD2 4.5Å; I174-W184 HydrophobicContact CG2-CH2 4.08Å; I174-W184 HydrophobicContact CG2-CZ2 3.32Å; I174-L187 HydrophobicContact CD1-CD2 3.86Å
175E93.6Very high94.1Very high130 Ų13046.3 Ų46.361%0.60724%0.244SC*.Hα-helixtrans-60.4-41.6176.4-166.7-169.5150.400111.2L171 K172L171-E175 PolarHBondContact O-N 3.11Å; K172-E175 HydrophobicContact CD-CB 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.38Å; K172-E175 WeakPolarHBondContact CE-OE2 3.35Å; K172-E175 IonicContact NZ-OE1 2.83Å; K172-E175 PolarHBondContact NZ-OE1 3.41Å; K172-E175 IonicContact NZ-OE2 2.73Å; K172-E175 PolarHBondContact NZ-OE2 2.91Å; K172-E175 PolarHBondContact O-N 2.88Å
176T91.9Very high94.1Very high40 Ų4042.5 Ų42.525%0.24523%0.227CC..Hα-helixtrans-69.7-45.1175.8-56.80000112.3D145 Y147 K172 A173 I174D145-T176 HydrophobicContact CB-CG2 4.22Å; D145-T176 WeakPolarHBondContact O-CG2 3.24Å; Y147-T176 HydrophobicContact CD1-CG2 4.44Å; K172-T176 PolarHBondContact O-N 2.95Å; K172-T176 VanDerWaalsContact O-N 3.09Å; K172-T176 PolarHBondContact O-OG1 3.45Å; K172-T176 VanDerWaalsContact O-OG1 3.13Å; A173-T176 PolarHBondContact O-N 3.35Å; I174-T176 VanDerWaalsContact C-N 3.3Å; I174-T176 PolarHBondContact O-N 3.41Å
177Q93.6Very high94.1Very high72 Ų7242.5 Ų42.534%0.33623%0.227SC..  trans-133.992.4179.1-174.259.935.100111.1Y147 A173 I174 N179 F180Y147-Q177 HydrophobicContact CD1-CB 3.79Å; Y147-Q177 HydrophobicContact CD1-CG 4.42Å; Y147-Q177 HydrophobicContact CD2-CB 3.93Å; Y147-Q177 HydrophobicContact CD2-CG 4.36Å; Y147-Q177 HydrophobicContact CE1-CB 4.08Å; Y147-Q177 HydrophobicContact CE1-CG 4.2Å; Y147-Q177 HydrophobicContact CE2-CB 4.21Å; Y147-Q177 HydrophobicContact CE2-CG 4.14Å; Y147-Q177 HydrophobicContact CG-CB 3.72Å; A173-Q177 PolarHBondContact O-N 3.14Å; I174-Q177 CarbonylContact O-C 3.14Å; I174-Q177 PolarHBondContact O-N 2.95Å; Q177-N179 PolarHBondContact O-N 2.87Å; Q177-N179 VanDerWaalsContact O-N 3.09Å; Q177-F180 HydrophobicContact CB-CB 4.3Å; Q177-F180 HydrophobicContact CG-CB 4.15Å; Q177-F180 VanDerWaalsContact O-CB 3.3Å; Q177-F180 WeakPolarHBondContact O-CB 3.37Å; Q177-F180 PolarHBondContact O-N 2.65Å; Q177-F180 VanDerWaalsContact O-N 3.08Å
178P93.3Very high94.2Very high73 Ų7340.3 Ų40.347%0.47422%0.218SC..THydrogen-bonded Turntrans-60.3-26.7-173.8-29.436.5000115.3I174 F180 W184I174-P178 WeakPolarHBondContact O-CA 3.44Å; I174-P178 WeakPolarHBondContact O-CD 3.29Å; P178-F180 VanDerWaalsContact C-N 3.28Å; P178-F180 PolarHBondContact O-N 3.14Å; P178-W184 PolarHBondContact O-NE1 3.41Å
179N92.9Very high94.1Very high112 Ų11239 Ų3960%0.59920%0.204SC*.THydrogen-bonded Turntrans-86.77.9-178.2-61.6-14.7000113.4Q177 A181 L210Q177-N179 PolarHBondContact O-N 2.87Å; Q177-N179 VanDerWaalsContact O-N 3.09Å; N179-A181 PolarHBondContact O-N 3.08Å; N179-L210 HydrophobicContact CB-CD2 4.19Å
180F93.7Very high94.1Very high37 Ų3738.2 Ų38.216%0.16220%0.199CC..  trans-80.586-176.9-172.8-140.4000112.2Y147 Q177 P178 V182 A183Y147-F180 HydrophobicContact CD2-CB 4.3Å; Y147-F180 AromaticContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD1 3.66Å; Y147-F180 HydrophobicContact CD2-CD2 4.24Å; Y147-F180 AromaticContact CD2-CE1 3.93Å; Y147-F180 HydrophobicContact CD2-CE1 3.93Å; Y147-F180 AromaticContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CG 3.83Å; Y147-F180 HydrophobicContact CD2-CZ 4.36Å; Y147-F180 HydrophobicContact CE2-CB 4.43Å; Y147-F180 HydrophobicContact CE2-CD1 4.21Å; Y147-F180 AromaticContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CD2 3.94Å; Y147-F180 HydrophobicContact CE2-CE1 4.43Å; Y147-F180 HydrophobicContact CE2-CE2 4.21Å; Y147-F180 AromaticContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CG 3.96Å; Y147-F180 HydrophobicContact CE2-CZ 4.45Å; Q177-F180 HydrophobicContact CB-CB 4.3Å; Q177-F180 HydrophobicContact CG-CB 4.15Å; Q177-F180 VanDerWaalsContact O-CB 3.3Å; Q177-F180 WeakPolarHBondContact O-CB 3.37Å; Q177-F180 PolarHBondContact O-N 2.65Å; Q177-F180 VanDerWaalsContact O-N 3.08Å; P178-F180 VanDerWaalsContact C-N 3.28Å; P178-F180 PolarHBondContact O-N 3.14Å; F180-V182 HydrophobicContact CD2-CB 4.37Å; F180-V182 HydrophobicContact CE1-CB 4.39Å; F180-V182 HydrophobicContact CE2-CB 3.81Å; F180-V182 HydrophobicContact CE2-CG2 4.04Å; F180-V182 HydrophobicContact CZ-CB 3.82Å; F180-V182 HydrophobicContact CZ-CG1 4.32Å; F180-V182 HydrophobicContact CZ-CG2 4.44Å; F180-V182 PolarHBondContact O-N 3.42Å; F180-V182 VanDerWaalsContact O-N 3.15Å; F180-A183 HydrophobicContact CD1-CB 3.53Å; F180-A183 HydrophobicContact CE1-CB 4.01Å; F180-A183 HydrophobicContact CG-CB 4.37Å; F180-A183 PolarHBondContact O-N 3.12Å; F180-A183 VanDerWaalsContact O-N 3.14Å
181A94.1Very high94Very high8 Ų839 Ų397%0.06620%0.203CC..Hα-helixtrans-52.9-36.5-174.100000114.3N179 A183 W184 S185 L210 D211 F214N179-A181 PolarHBondContact O-N 3.08Å; A181-A183 PolarHBondContact O-N 3.32Å; A181-W184 WeakPolarHBondContact O-CB 3.34Å; A181-W184 PolarHBondContact O-N 2.82Å; A181-S185 PolarHBondContact O-N 3.17Å; A181-L210 HydrophobicContact CB-CB 3.85Å; A181-D211 HydrophobicContact CB-CB 3.67Å; A181-F214 HydrophobicContact CB-CD1 4.12Å; A181-F214 HydrophobicContact CB-CE1 4.42Å
182V93.8Very high93.8Very high54 Ų5437.4 Ų37.433%0.32720%0.195SC..Hα-helixtrans-60-43.1179.8178.50000111.9F180 W184 S185 N186 F214F180-V182 HydrophobicContact CD2-CB 4.37Å; F180-V182 HydrophobicContact CE1-CB 4.39Å; F180-V182 HydrophobicContact CE2-CB 3.81Å; F180-V182 HydrophobicContact CE2-CG2 4.04Å; F180-V182 HydrophobicContact CZ-CB 3.82Å; F180-V182 HydrophobicContact CZ-CG1 4.32Å; F180-V182 HydrophobicContact CZ-CG2 4.44Å; F180-V182 PolarHBondContact O-N 3.42Å; F180-V182 VanDerWaalsContact O-N 3.15Å; V182-W184 PolarHBondContact O-N 2.79Å; V182-S185 PolarHBondContact O-N 2.72Å; V182-N186 WeakPolarHBondContact O-CB 3.42Å; V182-N186 PolarHBondContact O-N 3.01Å; V182-N186 PolarHBondContact O-ND2 3.44Å; V182-F214 HydrophobicContact CG2-CE1 4.31Å; V182-F214 HydrophobicContact CG2-CZ 4.19Å
183A93.5Very high93.6Very high0 Ų036.9 Ų36.90%021%0.206CC..Hα-helixtrans-66.8-37.517800000112A173 I174 F180 A181 N186 L187A173-A183 HydrophobicContact CB-CB 4.3Å; I174-A183 HydrophobicContact CD1-CB 4.25Å; I174-A183 HydrophobicContact CG1-CB 3.74Å; F180-A183 HydrophobicContact CD1-CB 3.53Å; F180-A183 HydrophobicContact CE1-CB 4.01Å; F180-A183 HydrophobicContact CG-CB 4.37Å; F180-A183 PolarHBondContact O-N 3.12Å; F180-A183 VanDerWaalsContact O-N 3.14Å; A181-A183 PolarHBondContact O-N 3.32Å; A183-N186 PolarHBondContact O-N 3.44Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.14Å; A183-L187 PolarHBondContact O-N 2.93Å
184W96.5Very high93.3Very high40 Ų4040 Ų4015%0.15222%0.22CC..Hα-helixtrans-62.5-46.5173.9-73.699.6000112.3I174 P178 A181 V182 L187 G188 H203 K206 A207 L210I174-W184 HydrophobicContact CD1-CD2 3.73Å; I174-W184 HydrophobicContact CD1-CE3 4.1Å; I174-W184 HydrophobicContact CD1-CG 3.99Å; I174-W184 HydrophobicContact CD1-CZ2 4.35Å; I174-W184 HydrophobicContact CG1-CD2 4.29Å; I174-W184 HydrophobicContact CG1-CG 4.33Å; I174-W184 HydrophobicContact CG2-CD2 4.5Å; I174-W184 HydrophobicContact CG2-CH2 4.08Å; I174-W184 HydrophobicContact CG2-CZ2 3.32Å; P178-W184 PolarHBondContact O-NE1 3.41Å; A181-W184 WeakPolarHBondContact O-CB 3.34Å; A181-W184 PolarHBondContact O-N 2.82Å; V182-W184 PolarHBondContact O-N 2.79Å; W184-L187 PolarHBondContact O-N 3.28Å; W184-G188 PolarHBondContact O-N 3.12Å; W184-H203 AromaticContact CE3-CD2 3.48Å; W184-H203 VanDerWaalsContact CE3-CD2 3.48Å; W184-H203 AromaticContact CZ3-CD2 3.57Å; W184-H203 AromaticContact CZ3-NE2 3.89Å; W184-K206 HydrophobicContact CD2-CB 4.2Å; W184-K206 HydrophobicContact CD2-CG 3.7Å; W184-K206 HydrophobicContact CE3-CB 3.97Å; W184-K206 HydrophobicContact CE3-CG 3.8Å; W184-K206 HydrophobicContact CG-CG 4.21Å; W184-K206 HydrophobicContact CH2-CG 4.29Å; W184-K206 HydrophobicContact CZ2-CG 4.16Å; W184-K206 HydrophobicContact CZ3-CB 4.46Å; W184-K206 HydrophobicContact CZ3-CG 4.11Å; W184-A207 HydrophobicContact CB-CB 3.94Å; W184-L210 HydrophobicContact CG-CD1 4.19Å
185S95.5Very high93Very high4 Ų441.7 Ų41.73%0.02824%0.242CC..Hα-helixtrans-63.1-43.4177.8-1780000111.9A181 V182 L187 G188 C189 F204A181-S185 PolarHBondContact O-N 3.17Å; V182-S185 PolarHBondContact O-N 2.72Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-L187 PolarHBondContact O-N 3.09Å; S185-G188 PolarHBondContact O-N 3.2Å; S185-C189 PolarHBondContact O-N 2.86Å; S185-C189 PolarHBondContact O-SG 3.16Å; S185-F204 WeakPolarHBondContact O-CE1 3.34Å
186N94.5Very high92.9Very high21 Ų2140.5 Ų40.511%0.11224%0.236CC..Hα-helixtrans-65.2-37.8176.9-81.1-41.5000112.9N155 K158 Y170 V182 A183 G188 C189 V190N155-N186 VanDerWaalsContact OD1-CG 3.3Å; N155-N186 PolarHBondContact OD1-ND2 3.17Å; K158-N186 PolarHBondContact NZ-OD1 3.09Å; Y170-N186 HydrophobicContact CD1-CB 3.96Å; Y170-N186 HydrophobicContact CD2-CB 4.19Å; Y170-N186 HydrophobicContact CE1-CB 3.53Å; Y170-N186 HydrophobicContact CE2-CB 3.8Å; Y170-N186 HydrophobicContact CG-CB 4.27Å; Y170-N186 VanDerWaalsContact CZ-CB 3.43Å; V182-N186 WeakPolarHBondContact O-CB 3.42Å; V182-N186 PolarHBondContact O-N 3.01Å; V182-N186 PolarHBondContact O-ND2 3.44Å; A183-N186 PolarHBondContact O-N 3.44Å; N186-G188 VanDerWaalsContact C-N 3.34Å; N186-C189 WeakPolarHBondContact O-CB 3.45Å; N186-C189 PolarHBondContact O-N 3.22Å; N186-V190 PolarHBondContact O-N 2.92Å; N186-V190 VanDerWaalsContact O-N 3.11Å
187L94.8Very high92.9Very high0 Ų041.2 Ų41.20%024%0.238CC..Hα-helixtrans-64.8-39.1173.2-176.556.3000111.5K167 Y170 L171 I174 A183 W184 S185 C189 V190 F191 H203K167-L187 HydrophobicContact CB-CD1 4.38Å; K167-L187 HydrophobicContact CG-CD1 3.8Å; Y170-L187 HydrophobicContact CD2-CB 4.49Å; L171-L187 HydrophobicContact CD2-CD2 3.62Å; L171-L187 HydrophobicContact CG-CD2 4.1Å; I174-L187 HydrophobicContact CD1-CD2 3.86Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.14Å; A183-L187 PolarHBondContact O-N 2.93Å; W184-L187 PolarHBondContact O-N 3.28Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-L187 PolarHBondContact O-N 3.09Å; L187-C189 VanDerWaalsContact C-N 3.32Å; L187-C189 PolarHBondContact O-N 3.09Å; L187-V190 PolarHBondContact O-N 2.9Å; L187-V190 VanDerWaalsContact O-N 3.16Å; L187-F191 HydrophobicContact CD1-CD2 4.13Å; L187-F191 HydrophobicContact CD1-CE2 3.69Å; L187-F191 HydrophobicContact CD1-CZ 4.37Å; L187-F191 HydrophobicContact CD2-CE2 4.25Å; L187-F191 HydrophobicContact CG-CD2 4.02Å; L187-F191 HydrophobicContact CG-CE2 3.69Å; L187-F191 WeakPolarHBondContact O-CD2 3.29Å; L187-F191 PolarHBondContact O-N 3.12Å; L187-H203 VanDerWaalsContact CD2-CD2 3.44Å; L187-H203 WeakPolarHBondContact CD2-CD2 3.19Å
188G94.8Very high92.8Very high0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-58.5-41.4170.700000112.8W184 S185 N186 V190 F191 N192 F204W184-G188 PolarHBondContact O-N 3.12Å; S185-G188 PolarHBondContact O-N 3.2Å; N186-G188 VanDerWaalsContact C-N 3.34Å; G188-V190 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 3.33Å; G188-F191 PolarHBondContact O-N 3.11Å; G188-N192 WeakPolarHBondContact O-CB 3.46Å; G188-N192 PolarHBondContact O-N 2.81Å; G188-F204 VanDerWaalsContact C-CZ 3.4Å
189C93.8Very high92.9Very high29 Ų2946.1 Ų46.120%0.19625%0.249CC..Hα-helixtrans-61.6-39.3174.2-62.50000112.5S185 N186 L187 N192 A193S185-C189 PolarHBondContact O-N 2.86Å; S185-C189 PolarHBondContact O-SG 3.16Å; N186-C189 WeakPolarHBondContact O-CB 3.45Å; N186-C189 PolarHBondContact O-N 3.22Å; L187-C189 VanDerWaalsContact C-N 3.32Å; L187-C189 PolarHBondContact O-N 3.09Å; C189-N192 PolarHBondContact O-N 2.95Å; C189-A193 PolarHBondContact O-N 3.15Å
190V93.5Very high93Very high0 Ų040.8 Ų40.80%022%0.221CC..Hα-helixtrans-65.6-46.5177.3174.70000110.7K158 L163 K167 Y170 N186 L187 G188 N192 A193 Q194K158-V190 HydrophobicContact CD-CG2 4.19Å; K158-V190 HydrophobicContact CG-CG2 4.46Å; L163-V190 HydrophobicContact CB-CG1 4.21Å; K167-V190 HydrophobicContact CB-CG1 4.28Å; Y170-V190 HydrophobicContact CD2-CG2 4.23Å; Y170-V190 HydrophobicContact CE2-CG2 3.85Å; N186-V190 PolarHBondContact O-N 2.92Å; N186-V190 VanDerWaalsContact O-N 3.11Å; L187-V190 PolarHBondContact O-N 2.9Å; L187-V190 VanDerWaalsContact O-N 3.16Å; G188-V190 VanDerWaalsContact C-N 3.33Å; G188-V190 PolarHBondContact O-N 3.33Å; V190-N192 VanDerWaalsContact C-N 3.28Å; V190-N192 PolarHBondContact O-N 3.32Å; V190-A193 PolarHBondContact O-N 3.18Å; V190-Q194 WeakPolarHBondContact O-CG 3.42Å; V190-Q194 PolarHBondContact O-N 2.9Å
191F93.4Very high93.1Very high17 Ų1739.2 Ų39.28%0.07521%0.214CC..Hα-helixtrans-62.3-36.8176.5-77.7-59.3000112.5L187 G188 Q194 G195 E196 L199 A200 H203L187-F191 HydrophobicContact CD1-CD2 4.13Å; L187-F191 HydrophobicContact CD1-CE2 3.69Å; L187-F191 HydrophobicContact CD1-CZ 4.37Å; L187-F191 HydrophobicContact CD2-CE2 4.25Å; L187-F191 HydrophobicContact CG-CD2 4.02Å; L187-F191 HydrophobicContact CG-CE2 3.69Å; L187-F191 WeakPolarHBondContact O-CD2 3.29Å; L187-F191 PolarHBondContact O-N 3.12Å; G188-F191 PolarHBondContact O-N 3.11Å; F191-Q194 PolarHBondContact O-N 2.81Å; F191-G195 PolarHBondContact O-N 2.79Å; F191-E196 HydrophobicContact CB-CB 4.32Å; F191-E196 HydrophobicContact CD1-CB 4.12Å; F191-E196 HydrophobicContact CD1-CG 4.5Å; F191-E196 PolarHBondContact O-N 3.17Å; F191-L199 HydrophobicContact CB-CB 4.18Å; F191-L199 HydrophobicContact CD1-CB 4.03Å; F191-L199 HydrophobicContact CD1-CD1 3.92Å; F191-L199 HydrophobicContact CD2-CB 4.17Å; F191-L199 HydrophobicContact CE1-CB 4.46Å; F191-L199 HydrophobicContact CE1-CD1 3.76Å; F191-L199 HydrophobicContact CG-CB 3.88Å; F191-L199 HydrophobicContact CZ-CD1 4.28Å; F191-A200 HydrophobicContact CB-CB 4.14Å; F191-H203 AromaticContact CD2-CE1 3.82Å; F191-H203 AromaticContact CD2-ND1 3.81Å; F191-H203 AromaticContact CE2-CE1 3.41Å; F191-H203 VanDerWaalsContact CE2-CE1 3.41Å; F191-H203 WeakPolarHBondContact CE2-CE1 3.45Å; F191-H203 AromaticContact CE2-ND1 3.89Å; F191-H203 AromaticContact CE2-NE2 3.63Å
192N91.8Very high93.2Very high50 Ų5043.8 Ų43.827%0.26723%0.234SC..Hα-helixtrans-62.6-45.7174.4-167.439.5000111.5G188 C189 V190 Q194 G195 A200 V224G188-N192 WeakPolarHBondContact O-CB 3.46Å; G188-N192 PolarHBondContact O-N 2.81Å; C189-N192 PolarHBondContact O-N 2.95Å; V190-N192 VanDerWaalsContact C-N 3.28Å; V190-N192 PolarHBondContact O-N 3.32Å; N192-Q194 PolarHBondContact O-N 3.39Å; N192-G195 PolarHBondContact O-N 2.76Å; N192-A200 HydrophobicContact CB-CB 3.94Å; N192-V224 HydrophobicContact CB-CG2 4.22Å; N192-V224 VanDerWaalsContact CG-CG2 3.5Å; N192-V224 WeakPolarHBondContact OD1-CG2 3.36Å
193A88.4Confident93.3Very high71 Ų7142 Ų4259%0.58722%0.222SC*.Hα-helixtrans-62.9-23.5176.100000113.3L163 C189 V190L163-A193 HydrophobicContact CD1-CB 4.27Å; C189-A193 PolarHBondContact O-N 3.15Å; V190-A193 PolarHBondContact O-N 3.18Å
194Q88.5Confident93.4Very high66 Ų6642 Ų4231%0.30822%0.222SC..THydrogen-bonded Turntrans-85.3-5.6174-68.6-178.1-28.300113.6L163 E164 V190 F191 N192 E196L163-Q194 HydrophobicContact CD1-CG 4.46Å; E164-Q194 PolarHBondContact OE1-NE2 3.06Å; V190-Q194 WeakPolarHBondContact O-CG 3.42Å; V190-Q194 PolarHBondContact O-N 2.9Å; F191-Q194 PolarHBondContact O-N 2.81Å; N192-Q194 PolarHBondContact O-N 3.39Å; Q194-E196 VanDerWaalsContact C-N 3.32Å; Q194-E196 HydrophobicContact CB-CG 4.42Å
195G86.5Confident93.4Very high52 Ų5243.5 Ų43.554%0.53623%0.23SC..THydrogen-bonded Turntrans81.16.4-176.500000114.6F191 N192 I197F191-G195 PolarHBondContact O-N 2.79Å; N192-G195 PolarHBondContact O-N 2.76Å; G195-I197 VanDerWaalsContact C-N 3.26Å; G195-I197 PolarHBondContact O-N 3.05Å
196E92.1Very high93.4Very high105 Ų10547.4 Ų47.449%0.49125%0.247SC..  trans-84.466.6-180-66.8-66.9168.300110.9F191 Q194 W198 L199 A200F191-E196 HydrophobicContact CB-CB 4.32Å; F191-E196 HydrophobicContact CD1-CB 4.12Å; F191-E196 HydrophobicContact CD1-CG 4.5Å; F191-E196 PolarHBondContact O-N 3.17Å; Q194-E196 VanDerWaalsContact C-N 3.32Å; Q194-E196 HydrophobicContact CB-CG 4.42Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.93Å; E196-L199 HydrophobicContact CB-CB 4.22Å; E196-L199 HydrophobicContact CB-CD1 4.15Å; E196-L199 HydrophobicContact CG-CD1 4.45Å; E196-L199 PolarHBondContact O-N 3.08Å; E196-L199 VanDerWaalsContact O-N 3.1Å; E196-A200 PolarHBondContact O-N 3.44Å
197I91.9Very high93.5Very high54 Ų5446.4 Ų46.428%0.27724%0.241SC..Hα-helixtrans-51-46-170.9-67.8173.8000112.6G195 L199 A200 I201 V224 A228G195-I197 VanDerWaalsContact C-N 3.26Å; G195-I197 PolarHBondContact O-N 3.05Å; I197-L199 PolarHBondContact O-N 2.93Å; I197-A200 WeakPolarHBondContact O-CB 3.32Å; I197-A200 PolarHBondContact O-N 3.31Å; I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.47Å; I197-V224 HydrophobicContact CB-CG1 4.43Å; I197-V224 HydrophobicContact CG2-CG1 3.75Å; I197-A228 HydrophobicContact CG2-CB 3.74Å
198W92.3Very high93.5Very high176 Ų17647 Ų4767%0.66725%0.245SC*.Hα-helixtrans-68.3-37-177.5-71.1109.1000113.1E196 I201 H202 I230E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.93Å; W198-I201 HydrophobicContact CE3-CD1 4.15Å; W198-I201 HydrophobicContact CZ3-CD1 4.43Å; W198-H202 PolarHBondContact O-N 2.93Å; W198-H202 VanDerWaalsContact O-N 3.11Å; W198-I230 HydrophobicContact CH2-CD1 3.47Å; W198-I230 VanDerWaalsContact CH2-CD1 3.47Å; W198-I230 HydrophobicContact CZ2-CD1 4.33Å; W198-I230 HydrophobicContact CZ3-CD1 3.72Å
199L93.8Very high93.5Very high73 Ų7351.9 Ų51.938%0.38228%0.275SS..Hα-helixtrans-68.9-40.4174.6-70.6175.1000110.4F191 E196 I197 I201 H202 H203F191-L199 HydrophobicContact CB-CB 4.18Å; F191-L199 HydrophobicContact CD1-CB 4.03Å; F191-L199 HydrophobicContact CD1-CD1 3.92Å; F191-L199 HydrophobicContact CD2-CB 4.17Å; F191-L199 HydrophobicContact CE1-CB 4.46Å; F191-L199 HydrophobicContact CE1-CD1 3.76Å; F191-L199 HydrophobicContact CG-CB 3.88Å; F191-L199 HydrophobicContact CZ-CD1 4.28Å; E196-L199 HydrophobicContact CB-CB 4.22Å; E196-L199 HydrophobicContact CB-CD1 4.15Å; E196-L199 HydrophobicContact CG-CD1 4.45Å; E196-L199 PolarHBondContact O-N 3.08Å; E196-L199 VanDerWaalsContact O-N 3.1Å; I197-L199 PolarHBondContact O-N 2.93Å; L199-I201 PolarHBondContact O-N 3.1Å; L199-H202 PolarHBondContact O-N 2.87Å; L199-H203 PolarHBondContact O-N 3.49Å; L199-H203 PolarHBondContact O-ND1 3.47Å
200A95.5Very high93.6Very high0 Ų052.9 Ų52.90%028%0.278CS..Hα-helixtrans-58-49175.100000111.6F191 N192 E196 I197 H202 H203 F204 V224F191-A200 HydrophobicContact CB-CB 4.14Å; N192-A200 HydrophobicContact CB-CB 3.94Å; E196-A200 PolarHBondContact O-N 3.44Å; I197-A200 WeakPolarHBondContact O-CB 3.32Å; I197-A200 PolarHBondContact O-N 3.31Å; A200-H202 PolarHBondContact O-N 3.35Å; A200-H203 PolarHBondContact O-N 2.93Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 HydrophobicContact CB-CE2 4.18Å; A200-F204 WeakPolarHBondContact O-CD2 3.46Å; A200-F204 WeakPolarHBondContact O-CG 3.5Å; A200-F204 PolarHBondContact O-N 2.81Å; A200-V224 HydrophobicContact CB-CG1 4.17Å; A200-V224 HydrophobicContact CB-CG2 4.46Å
201I96.2Very high93.6Very high4 Ų455.7 Ų55.72%0.02129%0.293CS..Hα-helixtrans-54.7-51175.9-68.1164.3000110.6I197 W198 L199 H203 F204 E205 L221 V224 L225 A228 I230I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.47Å; W198-I201 HydrophobicContact CE3-CD1 4.15Å; W198-I201 HydrophobicContact CZ3-CD1 4.43Å; L199-I201 PolarHBondContact O-N 3.1Å; I201-H203 VanDerWaalsContact C-N 3.32Å; I201-H203 PolarHBondContact O-N 3.13Å; I201-F204 PolarHBondContact O-N 3.21Å; I201-E205 HydrophobicContact CG2-CG 4.35Å; I201-E205 WeakPolarHBondContact O-CG 3.34Å; I201-E205 PolarHBondContact O-N 3.31Å; I201-L221 HydrophobicContact CG2-CD1 4.07Å; I201-V224 HydrophobicContact CD1-CG1 4.19Å; I201-V224 HydrophobicContact CG1-CB 4.36Å; I201-V224 HydrophobicContact CG1-CG1 3.64Å; I201-L225 HydrophobicContact CD1-CD2 3.81Å; I201-L225 HydrophobicContact CG1-CD2 4.05Å; I201-L225 HydrophobicContact CG1-CG 4.38Å; I201-L225 HydrophobicContact CG2-CD2 4.1Å; I201-A228 HydrophobicContact CD1-CB 4.31Å; I201-I230 HydrophobicContact CD1-CD1 4.31Å
202H95.5Very high93.6Very high104 Ų10457.9 Ų57.948%0.48131%0.309SS..Hα-helixtrans-56.2-45.2-178.9177.972.7000112.6W198 L199 A200 E205 K206W198-H202 PolarHBondContact O-N 2.93Å; W198-H202 VanDerWaalsContact O-N 3.11Å; L199-H202 PolarHBondContact O-N 2.87Å; A200-H202 PolarHBondContact O-N 3.35Å; H202-E205 PolarHBondContact O-N 3.48Å; H202-K206 PolarHBondContact O-N 2.92Å
203H95.8Very high93.8Very high16 Ų1660.8 Ų60.87%0.07433%0.325CS..Hα-helixtrans-71.9-36.9-177.7-71.476.9000112.2W184 L187 F191 L199 A200 I201 K206 A207W184-H203 AromaticContact CE3-CD2 3.48Å; W184-H203 VanDerWaalsContact CE3-CD2 3.48Å; W184-H203 AromaticContact CZ3-CD2 3.57Å; W184-H203 AromaticContact CZ3-NE2 3.89Å; L187-H203 VanDerWaalsContact CD2-CD2 3.44Å; L187-H203 WeakPolarHBondContact CD2-CD2 3.19Å; F191-H203 AromaticContact CD2-CE1 3.82Å; F191-H203 AromaticContact CD2-ND1 3.81Å; F191-H203 AromaticContact CE2-CE1 3.41Å; F191-H203 VanDerWaalsContact CE2-CE1 3.41Å; F191-H203 WeakPolarHBondContact CE2-CE1 3.45Å; F191-H203 AromaticContact CE2-ND1 3.89Å; F191-H203 AromaticContact CE2-NE2 3.63Å; L199-H203 PolarHBondContact O-N 3.49Å; L199-H203 PolarHBondContact O-ND1 3.47Å; A200-H203 PolarHBondContact O-N 2.93Å; I201-H203 VanDerWaalsContact C-N 3.32Å; I201-H203 PolarHBondContact O-N 3.13Å; H203-K206 PolarHBondContact O-N 2.61Å; H203-A207 PolarHBondContact O-N 2.8Å
204F97Very high94Very high1 Ų158.8 Ų58.80%0.00430%0.303CS..Hα-helixtrans-66.2-40.6173-70.5-52.3000112.3S185 G188 A200 I201 K206 A207 V208 N220 L221 V224S185-F204 WeakPolarHBondContact O-CE1 3.34Å; G188-F204 VanDerWaalsContact C-CZ 3.4Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 HydrophobicContact CB-CE2 4.18Å; A200-F204 WeakPolarHBondContact O-CD2 3.46Å; A200-F204 WeakPolarHBondContact O-CG 3.5Å; A200-F204 PolarHBondContact O-N 2.81Å; I201-F204 PolarHBondContact O-N 3.21Å; F204-K206 VanDerWaalsContact C-N 3.29Å; F204-K206 PolarHBondContact O-N 3.22Å; F204-A207 WeakPolarHBondContact O-CB 3.32Å; F204-A207 PolarHBondContact O-N 2.55Å; F204-A207 VanDerWaalsContact O-N 3.16Å; F204-V208 PolarHBondContact O-N 3.01Å; F204-N220 HydrophobicContact CD1-CB 4.08Å; F204-N220 HydrophobicContact CD2-CB 4.42Å; F204-N220 HydrophobicContact CE1-CB 3.53Å; F204-N220 HydrophobicContact CE2-CB 3.92Å; F204-N220 HydrophobicContact CZ-CB 3.45Å; F204-N220 VanDerWaalsContact CZ-CB 3.45Å; F204-L221 HydrophobicContact CB-CB 3.89Å; F204-L221 HydrophobicContact CB-CD1 3.94Å; F204-L221 HydrophobicContact CB-CG 4.37Å; F204-L221 HydrophobicContact CG-CB 4.46Å; F204-V224 HydrophobicContact CD2-CG2 4.43Å; F204-V224 HydrophobicContact CE2-CG2 3.93Å
205E95.8Very high94.3Very high70 Ų7057.7 Ų57.733%0.32730%0.299SS..Hα-helixtrans-60.8-40.2173.9-74.5-170.3131.900112.1I201 H202 V208 T209 L221 R233I201-E205 HydrophobicContact CG2-CG 4.35Å; I201-E205 WeakPolarHBondContact O-CG 3.34Å; I201-E205 PolarHBondContact O-N 3.31Å; H202-E205 PolarHBondContact O-N 3.48Å; E205-V208 VanDerWaalsContact O-CG2 3.29Å; E205-V208 WeakPolarHBondContact O-CG2 3.35Å; E205-T209 WeakPolarHBondContact O-CB 3.19Å; E205-T209 PolarHBondContact O-N 2.76Å; E205-T209 PolarHBondContact O-OG1 3.02Å; E205-L221 HydrophobicContact CG-CD1 4Å; E205-L221 HydrophobicContact CG-CD2 4.08Å; E205-R233 IonicContact OE1-CZ 3.09Å; E205-R233 IonicContact OE1-NE 3.91Å; E205-R233 IonicContact OE1-NH2 3.72Å; E205-R233 PolarHBondContact OE1-NH2 2.88Å; E205-R233 IonicContact OE2-NH2 3.91Å; E205-R233 PolarHBondContact OE2-NH2 3.01Å
206K95.7Very high94.6Very high87 Ų8759.8 Ų59.838%0.37830%0.298SS..Hα-helixtrans-63.7-42.6174.5-167.362.5174.8-179.60111.5W184 H202 H203 F204 T209 L210W184-K206 HydrophobicContact CD2-CB 4.2Å; W184-K206 HydrophobicContact CD2-CG 3.7Å; W184-K206 HydrophobicContact CE3-CB 3.97Å; W184-K206 HydrophobicContact CE3-CG 3.8Å; W184-K206 HydrophobicContact CG-CG 4.21Å; W184-K206 HydrophobicContact CH2-CG 4.29Å; W184-K206 HydrophobicContact CZ2-CG 4.16Å; W184-K206 HydrophobicContact CZ3-CB 4.46Å; W184-K206 HydrophobicContact CZ3-CG 4.11Å; H202-K206 PolarHBondContact O-N 2.92Å; H203-K206 PolarHBondContact O-N 2.61Å; F204-K206 VanDerWaalsContact C-N 3.29Å; F204-K206 PolarHBondContact O-N 3.22Å; K206-T209 PolarHBondContact O-N 3.4Å; K206-L210 HydrophobicContact CG-CD1 4.27Å; K206-L210 WeakPolarHBondContact O-CG 3.42Å; K206-L210 PolarHBondContact O-N 3.47Å; K206-L210 VanDerWaalsContact O-N 3.07Å
207A95.7Very high94.7Very high0 Ų054.8 Ų54.80%027%0.274CS..Hα-helixtrans-60.4-48.3177.800000112.2W184 H203 F204 T209 L210 D211 F214 A217W184-A207 HydrophobicContact CB-CB 3.94Å; H203-A207 PolarHBondContact O-N 2.8Å; F204-A207 WeakPolarHBondContact O-CB 3.32Å; F204-A207 PolarHBondContact O-N 2.55Å; F204-A207 VanDerWaalsContact O-N 3.16Å; A207-T209 VanDerWaalsContact C-N 3.29Å; A207-T209 PolarHBondContact O-N 3Å; A207-L210 PolarHBondContact O-N 3.38Å; A207-D211 PolarHBondContact O-N 3.04Å; A207-F214 HydrophobicContact CB-CD1 4.36Å; A207-A217 HydrophobicContact CB-CB 4.11Å
208V95.6Very high95Very high13 Ų1353.7 Ų53.78%0.07927%0.267CS..Hα-helixtrans-72.1-22.7179.7-59.40000113.5F204 E205 D211 P212 A217 Y218 L221F204-V208 PolarHBondContact O-N 3.01Å; E205-V208 VanDerWaalsContact O-CG2 3.29Å; E205-V208 WeakPolarHBondContact O-CG2 3.35Å; V208-D211 CarbonylContact O-C 3.14Å; V208-D211 VanDerWaalsContact O-C 3.32Å; V208-P212 WeakPolarHBondContact O-CA 3.4Å; V208-A217 HydrophobicContact CG1-CB 3.61Å; V208-Y218 HydrophobicContact CB-CD1 4.3Å; V208-Y218 HydrophobicContact CB-CD2 4.43Å; V208-Y218 HydrophobicContact CB-CE1 3.74Å; V208-Y218 HydrophobicContact CB-CE2 3.91Å; V208-Y218 HydrophobicContact CG1-CD1 3.77Å; V208-Y218 HydrophobicContact CG1-CD2 3.82Å; V208-Y218 HydrophobicContact CG1-CE1 3.74Å; V208-Y218 HydrophobicContact CG1-CE2 3.82Å; V208-Y218 HydrophobicContact CG1-CG 3.8Å; V208-Y218 HydrophobicContact CG2-CE1 3.94Å; V208-L221 HydrophobicContact CG2-CD2 4.4Å
209T95.5Very high95.2Very high102 Ų10246.1 Ų46.163%0.62624%0.239SC*.Hα-helixtrans-71.8-38.2171.8-57.90000111.1E205 K206 A207E205-T209 WeakPolarHBondContact O-CB 3.19Å; E205-T209 PolarHBondContact O-N 2.76Å; E205-T209 PolarHBondContact O-OG1 3.02Å; K206-T209 PolarHBondContact O-N 3.4Å; A207-T209 VanDerWaalsContact C-N 3.29Å; A207-T209 PolarHBondContact O-N 3Å
210L94.6Very high95.2Very high49 Ų4944.9 Ų44.926%0.25723%0.233SC..Hα-helixtrans-76.1-37.9178.9-70.5172.5000112.2N179 A181 W184 K206 A207N179-L210 HydrophobicContact CB-CD2 4.19Å; A181-L210 HydrophobicContact CB-CB 3.85Å; W184-L210 HydrophobicContact CG-CD1 4.19Å; K206-L210 HydrophobicContact CG-CD1 4.27Å; K206-L210 WeakPolarHBondContact O-CG 3.42Å; K206-L210 PolarHBondContact O-N 3.47Å; K206-L210 VanDerWaalsContact O-N 3.07Å; A207-L210 PolarHBondContact O-N 3.38Å
211D94.2Very high95.3Very high60 Ų6045.3 Ų45.332%0.32124%0.235SC..  trans-129.595.7173.1-178.95000110.9A181 A207 V208 N213 F214A181-D211 HydrophobicContact CB-CB 3.67Å; A207-D211 PolarHBondContact O-N 3.04Å; V208-D211 CarbonylContact O-C 3.14Å; V208-D211 VanDerWaalsContact O-C 3.32Å; D211-N213 PolarHBondContact O-N 2.81Å; D211-N213 VanDerWaalsContact O-N 3.07Å; D211-N213 PolarHBondContact OD1-N 2.99Å; D211-F214 HydrophobicContact CB-CB 3.99Å; D211-F214 VanDerWaalsContact O-CB 3.3Å; D211-F214 WeakPolarHBondContact O-CB 3.44Å; D211-F214 PolarHBondContact O-N 3.4Å; D211-F214 VanDerWaalsContact O-N 3.09Å
212P93.9Very high95.3Very high63 Ų6345.1 Ų45.141%0.40923%0.234SC..THydrogen-bonded Turntrans-65.3-6.2178.7-24.535.5000115.8V208 R240V208-P212 WeakPolarHBondContact O-CA 3.4Å; P212-R240 PolarHBondContact O-NH2 2.99Å; P212-R240 VanDerWaalsContact O-NH2 3.13Å
213N94.4Very high95.3Very high111 Ų11141.8 Ų41.859%0.59422%0.22SC*.THydrogen-bonded Turntrans-107.19.8176.7-63.4-34.5000112.4D211 L215 L244D211-N213 PolarHBondContact O-N 2.81Å; D211-N213 VanDerWaalsContact O-N 3.07Å; D211-N213 PolarHBondContact OD1-N 2.99Å; N213-L215 PolarHBondContact O-N 2.81Å; N213-L244 HydrophobicContact CB-CD2 4.19Å
214F94.2Very high95.3Very high28 Ų2841 Ų4112%0.12322%0.216CC..  trans-79.187.1-177.2-161.9176.5000112.3A181 V182 A207 D211 D216 A217 Y218A181-F214 HydrophobicContact CB-CD1 4.12Å; A181-F214 HydrophobicContact CB-CE1 4.42Å; V182-F214 HydrophobicContact CG2-CE1 4.31Å; V182-F214 HydrophobicContact CG2-CZ 4.19Å; A207-F214 HydrophobicContact CB-CD1 4.36Å; D211-F214 HydrophobicContact CB-CB 3.99Å; D211-F214 VanDerWaalsContact O-CB 3.3Å; D211-F214 WeakPolarHBondContact O-CB 3.44Å; D211-F214 PolarHBondContact O-N 3.4Å; D211-F214 VanDerWaalsContact O-N 3.09Å; F214-D216 HydrophobicContact CD2-CB 4.42Å; F214-D216 HydrophobicContact CE2-CB 4.05Å; F214-D216 PolarHBondContact O-N 3.06Å; F214-A217 HydrophobicContact CB-CB 4.08Å; F214-A217 HydrophobicContact CD1-CB 3.65Å; F214-A217 HydrophobicContact CD2-CB 4.26Å; F214-A217 HydrophobicContact CE1-CB 4.14Å; F214-A217 HydrophobicContact CG-CB 3.72Å; F214-A217 PolarHBondContact O-N 3.13Å; F214-Y218 WeakPolarHBondContact O-CD2 3.36Å; F214-Y218 PolarHBondContact O-N 3.33Å
215L93.6Very high95.2Very high44 Ų4441 Ų4123%0.2322%0.216CC..Hα-helixtrans-50.7-54.3-177.1176.762.7000113.4N213 A217 Y218 I219 A241 L244N213-L215 PolarHBondContact O-N 2.81Å; L215-A217 VanDerWaalsContact C-N 3.26Å; L215-A217 PolarHBondContact O-N 2.85Å; L215-Y218 PolarHBondContact O-N 3.17Å; L215-Y218 VanDerWaalsContact O-N 3.1Å; L215-I219 HydrophobicContact CD1-CD1 4.01Å; L215-I219 HydrophobicContact CD1-CG1 4.28Å; L215-I219 HydrophobicContact CG-CD1 3.99Å; L215-I219 WeakPolarHBondContact O-CG1 3.34Å; L215-I219 PolarHBondContact O-N 2.88Å; L215-I219 VanDerWaalsContact O-N 3.08Å; L215-A241 HydrophobicContact CD1-CB 3.84Å; L215-A241 VanDerWaalsContact CD1-O 3.26Å; L215-A241 WeakPolarHBondContact CD1-O 3.39Å; L215-L244 HydrophobicContact CB-CD1 4.4Å; L215-L244 HydrophobicContact CD1-CB 4.13Å
216D92.8Very high95.1Very high95 Ų9540.2 Ų40.251%0.50821%0.212SC..Hα-helixtrans-62.1-34.2-175.3-64.9-29.3000112.6F214 I219 N220F214-D216 HydrophobicContact CD2-CB 4.42Å; F214-D216 HydrophobicContact CE2-CB 4.05Å; F214-D216 PolarHBondContact O-N 3.06Å; D216-I219 PolarHBondContact O-N 3.21Å; D216-N220 WeakPolarHBondContact O-CB 3.49Å; D216-N220 PolarHBondContact O-N 2.58Å; D216-N220 PolarHBondContact O-ND2 3.07Å; D216-N220 VanDerWaalsContact O-ND2 3.14Å
217A94.6Very high94.9Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-66.6-39.317700000111.6A207 V208 F214 L215 L221A207-A217 HydrophobicContact CB-CB 4.11Å; V208-A217 HydrophobicContact CG1-CB 3.61Å; F214-A217 HydrophobicContact CB-CB 4.08Å; F214-A217 HydrophobicContact CD1-CB 3.65Å; F214-A217 HydrophobicContact CD2-CB 4.26Å; F214-A217 HydrophobicContact CE1-CB 4.14Å; F214-A217 HydrophobicContact CG-CB 3.72Å; F214-A217 PolarHBondContact O-N 3.13Å; L215-A217 VanDerWaalsContact C-N 3.26Å; L215-A217 PolarHBondContact O-N 2.85Å; A217-L221 WeakPolarHBondContact O-CB 3.37Å; A217-L221 PolarHBondContact O-N 3.36Å
218Y97.5Very high94.7Very high31 Ų3142.9 Ų42.912%0.12223%0.231CC..Hα-helixtrans-67.1-39.8174.1-79.1-67.2000112.8V208 F214 L215 L221 G222 A237 R240 L244V208-Y218 HydrophobicContact CB-CD1 4.3Å; V208-Y218 HydrophobicContact CB-CD2 4.43Å; V208-Y218 HydrophobicContact CB-CE1 3.74Å; V208-Y218 HydrophobicContact CB-CE2 3.91Å; V208-Y218 HydrophobicContact CG1-CD1 3.77Å; V208-Y218 HydrophobicContact CG1-CD2 3.82Å; V208-Y218 HydrophobicContact CG1-CE1 3.74Å; V208-Y218 HydrophobicContact CG1-CE2 3.82Å; V208-Y218 HydrophobicContact CG1-CG 3.8Å; V208-Y218 HydrophobicContact CG2-CE1 3.94Å; F214-Y218 WeakPolarHBondContact O-CD2 3.36Å; F214-Y218 PolarHBondContact O-N 3.33Å; L215-Y218 PolarHBondContact O-N 3.17Å; L215-Y218 VanDerWaalsContact O-N 3.1Å; Y218-L221 PolarHBondContact O-N 2.88Å; Y218-G222 PolarHBondContact O-N 3.45Å; Y218-A237 HydrophobicContact CD1-CB 4.47Å; Y218-R240 HydrophobicContact CD1-CB 3.92Å; Y218-R240 HydrophobicContact CD1-CG 3.86Å; Y218-R240 HydrophobicContact CD2-CG 3.92Å; Y218-R240 HydrophobicContact CE1-CB 3.9Å; Y218-R240 HydrophobicContact CE1-CG 3.46Å; Y218-R240 VanDerWaalsContact CE1-CG 3.46Å; Y218-R240 HydrophobicContact CE2-CG 3.51Å; Y218-R240 HydrophobicContact CG-CB 4.26Å; Y218-R240 HydrophobicContact CG-CG 4.07Å; Y218-L244 HydrophobicContact CD2-CD1 3.88Å; Y218-L244 HydrophobicContact CE2-CD1 4.16Å
219I96.3Very high94.5Very high17 Ų1751 Ų519%0.08726%0.26CS..Hα-helixtrans-62.5-49.6177.1-63.9176.5000110.1L215 D216 L221 G222 N223 A241 V251L215-I219 HydrophobicContact CD1-CD1 4.01Å; L215-I219 HydrophobicContact CD1-CG1 4.28Å; L215-I219 HydrophobicContact CG-CD1 3.99Å; L215-I219 WeakPolarHBondContact O-CG1 3.34Å; L215-I219 PolarHBondContact O-N 2.88Å; L215-I219 VanDerWaalsContact O-N 3.08Å; D216-I219 PolarHBondContact O-N 3.21Å; I219-L221 PolarHBondContact O-N 3.26Å; I219-G222 PolarHBondContact O-N 3.1Å; I219-N223 VanDerWaalsContact O-CG 3.25Å; I219-N223 PolarHBondContact O-N 3.4Å; I219-N223 PolarHBondContact O-ND2 3.35Å; I219-A241 HydrophobicContact CG1-CB 3.85Å; I219-V251 HydrophobicContact CD1-CG2 3.62Å; I219-V251 HydrophobicContact CG1-CG2 3.65Å; I219-V251 HydrophobicContact CG2-CG2 4.3Å
220N95.6Very high94.5Very high48 Ų4847.5 Ų47.526%0.25724%0.238SC..Hα-helixtrans-65.9-39.1179.5-69.9-34.6000112.1F204 D216 G222 N223 V224F204-N220 HydrophobicContact CD1-CB 4.08Å; F204-N220 HydrophobicContact CD2-CB 4.42Å; F204-N220 HydrophobicContact CE1-CB 3.53Å; F204-N220 HydrophobicContact CE2-CB 3.92Å; F204-N220 HydrophobicContact CZ-CB 3.45Å; F204-N220 VanDerWaalsContact CZ-CB 3.45Å; D216-N220 WeakPolarHBondContact O-CB 3.49Å; D216-N220 PolarHBondContact O-N 2.58Å; D216-N220 PolarHBondContact O-ND2 3.07Å; D216-N220 VanDerWaalsContact O-ND2 3.14Å; N220-G222 PolarHBondContact O-N 3.42Å; N220-N223 PolarHBondContact O-N 2.98Å; N220-V224 WeakPolarHBondContact O-CG2 3.45Å; N220-V224 PolarHBondContact O-N 2.81Å
221L97.2Very high94.5Very high9 Ų947 Ų475%0.04723%0.233CC..Hα-helixtrans-57.7-48.3172.8-179.256.3000111.2I201 F204 E205 V208 A217 Y218 I219 N223 V224 L225 A237I201-L221 HydrophobicContact CG2-CD1 4.07Å; F204-L221 HydrophobicContact CB-CB 3.89Å; F204-L221 HydrophobicContact CB-CD1 3.94Å; F204-L221 HydrophobicContact CB-CG 4.37Å; F204-L221 HydrophobicContact CG-CB 4.46Å; E205-L221 HydrophobicContact CG-CD1 4Å; E205-L221 HydrophobicContact CG-CD2 4.08Å; V208-L221 HydrophobicContact CG2-CD2 4.4Å; A217-L221 WeakPolarHBondContact O-CB 3.37Å; A217-L221 PolarHBondContact O-N 3.36Å; Y218-L221 PolarHBondContact O-N 2.88Å; I219-L221 PolarHBondContact O-N 3.26Å; L221-N223 VanDerWaalsContact C-N 3.33Å; L221-N223 PolarHBondContact O-N 3.11Å; L221-V224 PolarHBondContact O-N 3.14Å; L221-L225 HydrophobicContact CD1-CD1 3.68Å; L221-L225 HydrophobicContact CD1-CG 4Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.66Å; L221-L225 HydrophobicContact CG-CG 4.4Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 WeakPolarHBondContact O-CD1 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.14Å; L221-L225 PolarHBondContact O-N 3.39Å; L221-A237 HydrophobicContact CB-CB 4.32Å; L221-A237 HydrophobicContact CD2-CB 4.18Å; L221-A237 HydrophobicContact CG-CB 4.08Å
222G96.1Very high94.4Very high0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-60-40.9177.100000112.8Y218 I219 N220 L225 K226 Y238Y218-G222 PolarHBondContact O-N 3.45Å; I219-G222 PolarHBondContact O-N 3.1Å; N220-G222 PolarHBondContact O-N 3.42Å; G222-L225 PolarHBondContact O-N 3.12Å; G222-K226 WeakPolarHBondContact O-CB 3.22Å; G222-K226 PolarHBondContact O-N 3.34Å; G222-Y238 PolarHBondContact O-OH 3.16Å; G222-Y238 VanDerWaalsContact O-OH 3.04Å
223N95Very high94.4Very high33 Ų3350 Ų5018%0.17624%0.24CC..Hα-helixtrans-63.3-49.6178.8-68.9-19.3000111.6I219 N220 L221 L225 K226 E227 Y238 N254I219-N223 VanDerWaalsContact O-CG 3.25Å; I219-N223 PolarHBondContact O-N 3.4Å; I219-N223 PolarHBondContact O-ND2 3.35Å; N220-N223 PolarHBondContact O-N 2.98Å; L221-N223 VanDerWaalsContact C-N 3.33Å; L221-N223 PolarHBondContact O-N 3.11Å; N223-L225 PolarHBondContact O-N 3.34Å; N223-K226 WeakPolarHBondContact O-CB 3.47Å; N223-K226 PolarHBondContact O-N 2.86Å; N223-E227 WeakPolarHBondContact O-CG 3.19Å; N223-E227 PolarHBondContact O-N 3.45Å; N223-Y238 VanDerWaalsContact CA-OH 3.24Å; N223-Y238 WeakPolarHBondContact CA-OH 3.49Å; N223-Y238 PolarHBondContact N-OH 2.75Å; N223-Y238 VanDerWaalsContact N-OH 3.12Å; N223-Y238 PolarHBondContact OD1-OH 3.47Å; N223-N254 PolarHBondContact OD1-ND2 3.01Å
224V95.4Very high94.5Very high0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-67.1-37.8179.9-179.80000111.4N192 I197 A200 I201 F204 N220 L221 K226 E227 A228N192-V224 HydrophobicContact CB-CG2 4.22Å; N192-V224 VanDerWaalsContact CG-CG2 3.5Å; N192-V224 WeakPolarHBondContact OD1-CG2 3.36Å; I197-V224 HydrophobicContact CB-CG1 4.43Å; I197-V224 HydrophobicContact CG2-CG1 3.75Å; A200-V224 HydrophobicContact CB-CG1 4.17Å; A200-V224 HydrophobicContact CB-CG2 4.46Å; I201-V224 HydrophobicContact CD1-CG1 4.19Å; I201-V224 HydrophobicContact CG1-CB 4.36Å; I201-V224 HydrophobicContact CG1-CG1 3.64Å; F204-V224 HydrophobicContact CD2-CG2 4.43Å; F204-V224 HydrophobicContact CE2-CG2 3.93Å; N220-V224 WeakPolarHBondContact O-CG2 3.45Å; N220-V224 PolarHBondContact O-N 2.81Å; L221-V224 PolarHBondContact O-N 3.14Å; V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.45Å; V224-E227 PolarHBondContact O-N 2.95Å; V224-A228 WeakPolarHBondContact O-CB 3.45Å; V224-A228 PolarHBondContact O-N 2.83Å
225L96.1Very high94.6Very high1 Ų144.2 Ų44.21%0.00521%0.212CC..Hα-helixtrans-65.3-37.2174.9-72.5167.2000112.2I201 L221 G222 N223 A228 R229 I230 R233 A234 A237I201-L225 HydrophobicContact CD1-CD2 3.81Å; I201-L225 HydrophobicContact CG1-CD2 4.05Å; I201-L225 HydrophobicContact CG1-CG 4.38Å; I201-L225 HydrophobicContact CG2-CD2 4.1Å; L221-L225 HydrophobicContact CD1-CD1 3.68Å; L221-L225 HydrophobicContact CD1-CG 4Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.66Å; L221-L225 HydrophobicContact CG-CG 4.4Å; L221-L225 WeakPolarHBondContact O-CB 3.28Å; L221-L225 WeakPolarHBondContact O-CD1 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.14Å; L221-L225 PolarHBondContact O-N 3.39Å; G222-L225 PolarHBondContact O-N 3.12Å; N223-L225 PolarHBondContact O-N 3.34Å; L225-A228 PolarHBondContact O-N 2.82Å; L225-R229 PolarHBondContact O-N 3.4Å; L225-I230 HydrophobicContact CD2-CB 4.03Å; L225-I230 HydrophobicContact CD2-CD1 4.14Å; L225-I230 HydrophobicContact CD2-CG2 4.23Å; L225-I230 PolarHBondContact O-N 2.91Å; L225-R233 HydrophobicContact CD1-CB 3.74Å; L225-R233 HydrophobicContact CD2-CB 4.09Å; L225-R233 HydrophobicContact CG-CB 4.49Å; L225-A234 HydrophobicContact CB-CB 3.73Å; L225-A237 HydrophobicContact CD1-CB 4.44Å
226K93.9Very high94.7Very high54 Ų5445 Ų4524%0.23522%0.224CC..Hα-helixtrans-61.3-47.8172.5178.2-174.272.6170.20110.7G222 N223 V224 A228 R229 N254 C257 V258G222-K226 WeakPolarHBondContact O-CB 3.22Å; G222-K226 PolarHBondContact O-N 3.34Å; N223-K226 WeakPolarHBondContact O-CB 3.47Å; N223-K226 PolarHBondContact O-N 2.86Å; V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.45Å; K226-A228 VanDerWaalsContact C-N 3.29Å; K226-A228 PolarHBondContact O-N 2.61Å; K226-R229 PolarHBondContact O-N 3Å; K226-N254 PolarHBondContact NZ-OD1 3.34Å; K226-C257 HydrophobicContact CD-CB 4.39Å; K226-V258 HydrophobicContact CB-CG2 4.01Å; K226-V258 HydrophobicContact CD-CG2 4Å; K226-V258 HydrophobicContact CG-CG2 3.78Å
227E90.9Very high94.9Very high111 Ų11140.7 Ų40.752%0.51920%0.202SC..Hα-helixtrans-60.6-38.5177-72.3173.2-166.400112.2N223 V224 R229N223-E227 WeakPolarHBondContact O-CG 3.19Å; N223-E227 PolarHBondContact O-N 3.45Å; V224-E227 PolarHBondContact O-N 2.95Å; E227-R229 PolarHBondContact O-N 3.39Å
228A92Very high95Very high32 Ų3240.7 Ų40.726%0.26420%0.202SC..THydrogen-bonded Turntrans-73.7-3174.800000114.5I197 I201 V224 L225 K226 I230I197-A228 HydrophobicContact CG2-CB 3.74Å; I201-A228 HydrophobicContact CD1-CB 4.31Å; V224-A228 WeakPolarHBondContact O-CB 3.45Å; V224-A228 PolarHBondContact O-N 2.83Å; L225-A228 PolarHBondContact O-N 2.82Å; K226-A228 VanDerWaalsContact C-N 3.29Å; K226-A228 PolarHBondContact O-N 2.61Å; A228-I230 VanDerWaalsContact C-N 3.27Å; A228-I230 HydrophobicContact CB-CD1 3.89Å; A228-I230 HydrophobicContact CB-CG1 3.9Å; A228-I230 PolarHBondContact O-N 3.18Å
229R91.1Very high95Very high182 Ų18243.3 Ų43.369%0.68722%0.218SC*.THydrogen-bonded Turntrans58.131.1-172.9-60.2-174.1166.9-152.6-8.9114.6L225 K226 E227 F231L225-R229 PolarHBondContact O-N 3.4Å; K226-R229 PolarHBondContact O-N 3Å; E227-R229 PolarHBondContact O-N 3.39Å; R229-F231 HydrophobicContact CB-CE1 4.26Å; R229-F231 HydrophobicContact CB-CE2 4.34Å; R229-F231 HydrophobicContact CB-CZ 3.92Å; R229-F231 HydrophobicContact CG-CE1 4.42Å; R229-F231 HydrophobicContact CG-CZ 4.02Å; R229-F231 PolarHBondContact O-N 3.3Å
230I94.4Very high95Very high30 Ų3047.1 Ų47.115%0.15423%0.231CC..  trans-9972.2176.3-50174.3000108.7W198 I201 L225 A228 D232 R233 A234W198-I230 HydrophobicContact CH2-CD1 3.47Å; W198-I230 VanDerWaalsContact CH2-CD1 3.47Å; W198-I230 HydrophobicContact CZ2-CD1 4.33Å; W198-I230 HydrophobicContact CZ3-CD1 3.72Å; I201-I230 HydrophobicContact CD1-CD1 4.31Å; L225-I230 HydrophobicContact CD2-CB 4.03Å; L225-I230 HydrophobicContact CD2-CD1 4.14Å; L225-I230 HydrophobicContact CD2-CG2 4.23Å; L225-I230 PolarHBondContact O-N 2.91Å; A228-I230 VanDerWaalsContact C-N 3.27Å; A228-I230 HydrophobicContact CB-CD1 3.89Å; A228-I230 HydrophobicContact CB-CG1 3.9Å; A228-I230 PolarHBondContact O-N 3.18Å; I230-D232 WeakPolarHBondContact CG2-OD1 3.39Å; I230-R233 HydrophobicContact CG2-CB 4.09Å; I230-R233 HydrophobicContact CG2-CG 4.24Å; I230-A234 PolarHBondContact O-N 3.16Å; I230-A234 VanDerWaalsContact O-N 3.1Å
231F94.5Very high95Very high37 Ų3744.9 Ų44.916%0.16222%0.219CC..Hα-helixtrans-69.1-37.2-163.2-61-46.2000114.8R229 R233 A234 V235 V258 E261 Q262R229-F231 HydrophobicContact CB-CE1 4.26Å; R229-F231 HydrophobicContact CB-CE2 4.34Å; R229-F231 HydrophobicContact CB-CZ 3.92Å; R229-F231 HydrophobicContact CG-CE1 4.42Å; R229-F231 HydrophobicContact CG-CZ 4.02Å; R229-F231 PolarHBondContact O-N 3.3Å; F231-R233 PolarHBondContact O-N 3.33Å; F231-A234 PolarHBondContact O-N 3.36Å; F231-V235 VanDerWaalsContact O-CG2 3.32Å; F231-V235 WeakPolarHBondContact O-CG2 3.36Å; F231-V235 PolarHBondContact O-N 3.21Å; F231-V258 HydrophobicContact CB-CG1 3.64Å; F231-V258 HydrophobicContact CD1-CG1 3.75Å; F231-V258 HydrophobicContact CD1-CG2 4.47Å; F231-V258 HydrophobicContact CG-CG1 4.01Å; F231-E261 HydrophobicContact CE1-CB 3.89Å; F231-E261 HydrophobicContact CE1-CG 4.34Å; F231-E261 HydrophobicContact CE2-CB 3.99Å; F231-E261 HydrophobicContact CZ-CB 3.54Å; F231-E261 HydrophobicContact CZ-CG 4.16Å; F231-Q262 HydrophobicContact CB-CG 3.7Å; F231-Q262 HydrophobicContact CD2-CG 3.87Å; F231-Q262 HydrophobicContact CG-CG 3.98Å
232D92.8Very high94.9Very high109 Ų10945.3 Ų45.358%0.58322%0.221SC*.Hα-helixtrans-58.1-46.5178.361.8-36.4000112.1I230 A236I230-D232 WeakPolarHBondContact CG2-OD1 3.39Å; D232-A236 PolarHBondContact O-N 3.4Å
233R95.3Very high94.8Very high77 Ų7748.6 Ų48.629%0.29124%0.244SC..Hα-helixtrans-73.1-34.9177.2-68.6171.960.3-157.22.1111.8E205 L225 I230 F231 V235 A236 A237E205-R233 IonicContact OE1-CZ 3.09Å; E205-R233 IonicContact OE1-NE 3.91Å; E205-R233 IonicContact OE1-NH2 3.72Å; E205-R233 PolarHBondContact OE1-NH2 2.88Å; E205-R233 IonicContact OE2-NH2 3.91Å; E205-R233 PolarHBondContact OE2-NH2 3.01Å; L225-R233 HydrophobicContact CD1-CB 3.74Å; L225-R233 HydrophobicContact CD2-CB 4.09Å; L225-R233 HydrophobicContact CG-CB 4.49Å; I230-R233 HydrophobicContact CG2-CB 4.09Å; I230-R233 HydrophobicContact CG2-CG 4.24Å; F231-R233 PolarHBondContact O-N 3.33Å; R233-V235 VanDerWaalsContact C-N 3.35Å; R233-A236 PolarHBondContact O-N 3.37Å; R233-A237 PolarHBondContact O-N 3.25Å
234A96.3Very high94.8Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-60.6-45.317500000111.2L225 I230 F231 A236 A237 Y238 V258L225-A234 HydrophobicContact CB-CB 3.73Å; I230-A234 PolarHBondContact O-N 3.16Å; I230-A234 VanDerWaalsContact O-N 3.1Å; F231-A234 PolarHBondContact O-N 3.36Å; A234-A236 PolarHBondContact O-N 3.02Å; A234-A237 PolarHBondContact O-N 2.66Å; A234-Y238 HydrophobicContact CB-CE2 4.29Å; A234-Y238 WeakPolarHBondContact O-CD2 3.47Å; A234-Y238 PolarHBondContact O-N 2.69Å; A234-V258 HydrophobicContact CB-CG1 4.49Å; A234-V258 HydrophobicContact CB-CG2 4.18Å
235V96.3Very high94.7Very high19 Ų1951.3 Ų51.312%0.11526%0.261CS..Hα-helixtrans-58.5-47.4175.2170.40000110.7F231 R233 A237 Y238 L239 L255 V258 Y259F231-V235 VanDerWaalsContact O-CG2 3.32Å; F231-V235 WeakPolarHBondContact O-CG2 3.36Å; F231-V235 PolarHBondContact O-N 3.21Å; R233-V235 VanDerWaalsContact C-N 3.35Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.47Å; V235-Y238 PolarHBondContact O-N 3.46Å; V235-L239 HydrophobicContact CG1-CD1 3.71Å; V235-L239 HydrophobicContact CG1-CG 4.14Å; V235-L239 WeakPolarHBondContact O-CB 3.49Å; V235-L239 VanDerWaalsContact O-CG 3.32Å; V235-L239 WeakPolarHBondContact O-CG 3.35Å; V235-L239 PolarHBondContact O-N 3.37Å; V235-L255 HydrophobicContact CB-CD1 4.23Å; V235-L255 HydrophobicContact CG1-CD1 4.13Å; V235-L255 HydrophobicContact CG2-CD1 3.93Å; V235-V258 HydrophobicContact CG2-CB 4.43Å; V235-V258 HydrophobicContact CG2-CG1 3.65Å; V235-Y259 HydrophobicContact CG1-CE1 3.97Å; V235-Y259 HydrophobicContact CG2-CD1 4.18Å; V235-Y259 HydrophobicContact CG2-CE1 3.72Å
236A95.7Very high94.5Very high60 Ų6055.1 Ų55.150%0.49629%0.286SS..Hα-helixtrans-59.6-42.8178.400000112.3D232 R233 A234 R240D232-A236 PolarHBondContact O-N 3.4Å; R233-A236 PolarHBondContact O-N 3.37Å; A234-A236 PolarHBondContact O-N 3.02Å; A236-R240 WeakPolarHBondContact O-CB 3.32Å; A236-R240 PolarHBondContact O-N 3.05Å
237A96.5Very high94.4Very high5 Ų557.8 Ų57.84%0.04130%0.303CS..Hα-helixtrans-63.9-46.6177.400000112Y218 L221 L225 R233 A234 V235 R240 A241Y218-A237 HydrophobicContact CD1-CB 4.47Å; L221-A237 HydrophobicContact CB-CB 4.32Å; L221-A237 HydrophobicContact CD2-CB 4.18Å; L221-A237 HydrophobicContact CG-CB 4.08Å; L225-A237 HydrophobicContact CD1-CB 4.44Å; R233-A237 PolarHBondContact O-N 3.25Å; A234-A237 PolarHBondContact O-N 2.66Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.47Å; A237-R240 PolarHBondContact O-N 3.42Å; A237-A241 PolarHBondContact O-N 3.35Å
238Y97.2Very high94.5Very high0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-67.5-41.4178.3-67.8-48.4000113.2G222 N223 A234 V235 R240 A241 L242 V251 N254 L255 V258G222-Y238 PolarHBondContact O-OH 3.16Å; G222-Y238 VanDerWaalsContact O-OH 3.04Å; N223-Y238 VanDerWaalsContact CA-OH 3.24Å; N223-Y238 WeakPolarHBondContact CA-OH 3.49Å; N223-Y238 PolarHBondContact N-OH 2.75Å; N223-Y238 VanDerWaalsContact N-OH 3.12Å; N223-Y238 PolarHBondContact OD1-OH 3.47Å; A234-Y238 HydrophobicContact CB-CE2 4.29Å; A234-Y238 WeakPolarHBondContact O-CD2 3.47Å; A234-Y238 PolarHBondContact O-N 2.69Å; V235-Y238 PolarHBondContact O-N 3.46Å; Y238-R240 PolarHBondContact O-N 3.12Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.82Å; Y238-L242 WeakPolarHBondContact O-CG 3.47Å; Y238-L242 PolarHBondContact O-N 2.77Å; Y238-V251 HydrophobicContact CD1-CG1 3.84Å; Y238-V251 HydrophobicContact CG-CG1 4.26Å; Y238-N254 HydrophobicContact CE1-CB 3.96Å; Y238-N254 HydrophobicContact CE2-CB 4.19Å; Y238-L255 HydrophobicContact CD2-CB 4.17Å; Y238-L255 HydrophobicContact CD2-CD1 4.15Å; Y238-L255 HydrophobicContact CG-CB 4.37Å; Y238-V258 HydrophobicContact CE2-CG2 3.91Å
239L96.1Very high94.6Very high86 Ų8654 Ų5445%0.4528%0.281SS..Hα-helixtrans-61.9-36.8175.6-72.4177.1000111.2V235 L242 S243 L255V235-L239 HydrophobicContact CG1-CD1 3.71Å; V235-L239 HydrophobicContact CG1-CG 4.14Å; V235-L239 WeakPolarHBondContact O-CB 3.49Å; V235-L239 VanDerWaalsContact O-CG 3.32Å; V235-L239 WeakPolarHBondContact O-CG 3.35Å; V235-L239 PolarHBondContact O-N 3.37Å; L239-L242 PolarHBondContact O-N 2.76Å; L239-S243 PolarHBondContact O-N 3.36Å; L239-L255 HydrophobicContact CD2-CD2 3.93Å
240R96.1Very high94.7Very high96 Ų9648.2 Ų48.236%0.36227%0.265SS..Hα-helixtrans-67.5-42.7174.1-171.359.2-177.4171.15.8111.7P212 Y218 A236 A237 Y238 L242 S243 L244P212-R240 PolarHBondContact O-NH2 2.99Å; P212-R240 VanDerWaalsContact O-NH2 3.13Å; Y218-R240 HydrophobicContact CD1-CB 3.92Å; Y218-R240 HydrophobicContact CD1-CG 3.86Å; Y218-R240 HydrophobicContact CD2-CG 3.92Å; Y218-R240 HydrophobicContact CE1-CB 3.9Å; Y218-R240 HydrophobicContact CE1-CG 3.46Å; Y218-R240 VanDerWaalsContact CE1-CG 3.46Å; Y218-R240 HydrophobicContact CE2-CG 3.51Å; Y218-R240 HydrophobicContact CG-CB 4.26Å; Y218-R240 HydrophobicContact CG-CG 4.07Å; A236-R240 WeakPolarHBondContact O-CB 3.32Å; A236-R240 PolarHBondContact O-N 3.05Å; A237-R240 PolarHBondContact O-N 3.42Å; Y238-R240 PolarHBondContact O-N 3.12Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.31Å; R240-S243 WeakPolarHBondContact O-CB 3.32Å; R240-S243 PolarHBondContact O-N 2.99Å; R240-S243 VanDerWaalsContact O-N 3.15Å; R240-S243 PolarHBondContact O-OG 3.03Å; R240-L244 PolarHBondContact O-N 2.89Å
241A95.9Very high94.8Very high1 Ų146.8 Ų46.81%0.00826%0.258CS..Hα-helixtrans-57.4-43.2171.100000112.1L215 I219 A237 Y238 S243 L244 S245 V251L215-A241 HydrophobicContact CD1-CB 3.84Å; L215-A241 VanDerWaalsContact CD1-O 3.26Å; L215-A241 WeakPolarHBondContact CD1-O 3.39Å; I219-A241 HydrophobicContact CG1-CB 3.85Å; A237-A241 PolarHBondContact O-N 3.35Å; Y238-A241 WeakPolarHBondContact O-CB 3.43Å; Y238-A241 PolarHBondContact O-N 2.82Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.43Å; A241-L244 WeakPolarHBondContact O-CB 3.49Å; A241-L244 PolarHBondContact O-N 3.05Å; A241-L244 VanDerWaalsContact O-N 3.14Å; A241-S245 PolarHBondContact O-N 3.38Å; A241-V251 HydrophobicContact CB-CG1 4.26Å
242L94.9Very high94.8Very high19 Ų1946.1 Ų46.110%0.09926%0.256CS..Hα-helixtrans-68.7-28.3176.9-69.3174.5000113Y238 L239 R240 L244 S245 P246 H248 V251 H252 L255Y238-L242 WeakPolarHBondContact O-CG 3.47Å; Y238-L242 PolarHBondContact O-N 2.77Å; L239-L242 PolarHBondContact O-N 2.76Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.31Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.91Å; L242-S245 CarbonylContact O-C 3.32Å; L242-S245 VanDerWaalsContact O-C 3.24Å; L242-P246 WeakPolarHBondContact O-CA 3.34Å; L242-P246 WeakPolarHBondContact O-CD 3.34Å; L242-P246 WeakPolarHBondContact O-CG 3.38Å; L242-H248 HydrophobicContact CD2-CB 4.39Å; L242-V251 HydrophobicContact CD1-CG1 4.26Å; L242-V251 HydrophobicContact CD2-CB 3.98Å; L242-V251 HydrophobicContact CD2-CG1 3.77Å; L242-V251 HydrophobicContact CG-CB 4.45Å; L242-V251 HydrophobicContact CG-CG1 3.69Å; L242-H252 WeakPolarHBondContact CD2-NE2 3.38Å; L242-L255 HydrophobicContact CD1-CD2 3.85Å
243S95.2Very high94.9Very high68 Ų6841.2 Ų41.248%0.47623%0.23SC..Hα-helixtrans-67-29.6171.877.80000112.5L239 R240 A241L239-S243 PolarHBondContact O-N 3.36Å; R240-S243 WeakPolarHBondContact O-CB 3.32Å; R240-S243 PolarHBondContact O-N 2.99Å; R240-S243 VanDerWaalsContact O-N 3.15Å; R240-S243 PolarHBondContact O-OG 3.03Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.43Å
244L94.3Very high94.9Very high55 Ų5538.9 Ų38.929%0.28822%0.224SC..Hα-helixtrans-84.1-38176.6-62.7171.4000111.7N213 L215 Y218 R240 A241 L242N213-L244 HydrophobicContact CB-CD2 4.19Å; L215-L244 HydrophobicContact CB-CD1 4.4Å; L215-L244 HydrophobicContact CD1-CB 4.13Å; Y218-L244 HydrophobicContact CD2-CD1 3.88Å; Y218-L244 HydrophobicContact CE2-CD1 4.16Å; R240-L244 PolarHBondContact O-N 2.89Å; A241-L244 WeakPolarHBondContact O-CB 3.49Å; A241-L244 PolarHBondContact O-N 3.05Å; A241-L244 VanDerWaalsContact O-N 3.14Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.91Å
245S93.4Very high94.9Very high36 Ų3639 Ų3925%0.25223%0.225SC..  trans-136.389.1176.2178.60000111.3A241 L242 N247A241-S245 PolarHBondContact O-N 3.38Å; L242-S245 CarbonylContact O-C 3.32Å; L242-S245 VanDerWaalsContact O-C 3.24Å; S245-N247 PolarHBondContact O-N 3.31Å; S245-N247 VanDerWaalsContact O-N 3.17Å
246P91.8Very high94.9Very high81 Ų8138.1 Ų38.153%0.52622%0.219SC..THydrogen-bonded Turntrans-60.6-28.7-173.7-27.635.4000115.4L242 H252L242-P246 WeakPolarHBondContact O-CA 3.34Å; L242-P246 WeakPolarHBondContact O-CD 3.34Å; L242-P246 WeakPolarHBondContact O-CG 3.38Å; P246-H252 PolarHBondContact O-NE2 3.17Å; P246-H252 VanDerWaalsContact O-NE2 3.08Å
247N92.2Very high94.9Very high109 Ų10936.4 Ų36.458%0.58320%0.203SC*.THydrogen-bonded Turntrans-103.342.3-172.1-68-23.9000112.6S245 R274 L278S245-N247 PolarHBondContact O-N 3.31Å; S245-N247 VanDerWaalsContact O-N 3.17Å; N247-R274 PolarHBondContact OD1-NH2 3.33Å; N247-L278 HydrophobicContact CB-CD2 3.77Å
248H92.9Very high94.8Very high57 Ų5736.2 Ų36.226%0.26420%0.201SC..  trans-102.297-179.4-160-44.6000112.4L242 V250 V251 H252L242-H248 HydrophobicContact CD2-CB 4.39Å; H248-V250 PolarHBondContact O-N 3.02Å; H248-V251 HydrophobicContact CB-CB 4.17Å; H248-V251 HydrophobicContact CB-CG2 4.06Å; H248-V251 PolarHBondContact O-N 3.01Å; H248-V251 VanDerWaalsContact O-N 3.16Å; H248-H252 PolarHBondContact O-CD2 3.34Å; H248-H252 PolarHBondContact O-N 2.9Å
249A93.8Very high94.8Very high8 Ų837.3 Ų37.37%0.06621%0.206CC..Hα-helixtrans-55.3-47.3-173.800000114.1V251 H252 G253 A275 L278 Q279A249-V251 VanDerWaalsContact C-N 3.3Å; A249-V251 PolarHBondContact O-N 3.04Å; A249-H252 PolarHBondContact O-N 2.97Å; A249-G253 PolarHBondContact O-N 2.85Å; A249-A275 WeakPolarHBondContact O-CB 3.35Å; A249-L278 HydrophobicContact CB-CB 3.81Å; A249-Q279 HydrophobicContact CB-CB 3.54Å
250V93.6Very high94.7Very high59 Ų5936.4 Ų36.436%0.35820%0.197SC..Hα-helixtrans-61-37.1-180-179.40000112.5H248 G253 N254H248-V250 PolarHBondContact O-N 3.02Å; V250-G253 PolarHBondContact O-N 3.22Å; V250-N254 WeakPolarHBondContact O-CB 3.28Å; V250-N254 PolarHBondContact O-N 3.29Å
251V95.1Very high94.5Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-70.1-42178.4178.30000110.7I219 Y238 A241 L242 H248 A249 G253 N254 L255I219-V251 HydrophobicContact CD1-CG2 3.62Å; I219-V251 HydrophobicContact CG1-CG2 3.65Å; I219-V251 HydrophobicContact CG2-CG2 4.3Å; Y238-V251 HydrophobicContact CD1-CG1 3.84Å; Y238-V251 HydrophobicContact CG-CG1 4.26Å; A241-V251 HydrophobicContact CB-CG1 4.26Å; L242-V251 HydrophobicContact CD1-CG1 4.26Å; L242-V251 HydrophobicContact CD2-CB 3.98Å; L242-V251 HydrophobicContact CD2-CG1 3.77Å; L242-V251 HydrophobicContact CG-CB 4.45Å; L242-V251 HydrophobicContact CG-CG1 3.69Å; H248-V251 HydrophobicContact CB-CB 4.17Å; H248-V251 HydrophobicContact CB-CG2 4.06Å; H248-V251 PolarHBondContact O-N 3.01Å; H248-V251 VanDerWaalsContact O-N 3.16Å; A249-V251 VanDerWaalsContact C-N 3.3Å; A249-V251 PolarHBondContact O-N 3.04Å; V251-G253 VanDerWaalsContact C-N 3.33Å; V251-G253 PolarHBondContact O-N 3.04Å; V251-N254 PolarHBondContact O-N 3.4Å; V251-L255 VanDerWaalsContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CB 3.3Å; V251-L255 PolarHBondContact O-N 2.75Å
252H96.4Very high94.4Very high24 Ų2440.5 Ų40.511%0.11122%0.22CC..Hα-helixtrans-58.3-45.6170.7-77.9-75.1000111.1L242 P246 H248 A249 N254 L255 A256 T271 A275 L278L242-H252 WeakPolarHBondContact CD2-NE2 3.38Å; P246-H252 PolarHBondContact O-NE2 3.17Å; P246-H252 VanDerWaalsContact O-NE2 3.08Å; H248-H252 PolarHBondContact O-CD2 3.34Å; H248-H252 PolarHBondContact O-N 2.9Å; A249-H252 PolarHBondContact O-N 2.97Å; H252-N254 PolarHBondContact O-N 3.35Å; H252-L255 PolarHBondContact O-N 2.73Å; H252-A256 WeakPolarHBondContact O-CB 3.34Å; H252-A256 PolarHBondContact O-N 2.95Å; H252-T271 HydrophobicContact CB-CG2 4.22Å; H252-T271 VanDerWaalsContact O-CG2 3.25Å; H252-T271 WeakPolarHBondContact O-CG2 3.46Å; H252-A275 HydrophobicContact CB-CB 3.77Å; H252-L278 WeakPolarHBondContact CD2-CD1 3.35Å
253G94.6Very high94.2Very high5 Ų541.9 Ų41.95%0.05224%0.239CC..Hα-helixtrans-59.4-47176.900000113A249 V250 V251 A256 C257A249-G253 PolarHBondContact O-N 2.85Å; V250-G253 PolarHBondContact O-N 3.22Å; V251-G253 VanDerWaalsContact C-N 3.33Å; V251-G253 PolarHBondContact O-N 3.04Å; G253-A256 WeakPolarHBondContact O-CB 3.3Å; G253-A256 PolarHBondContact O-N 3.35Å; G253-C257 PolarHBondContact O-N 2.78Å; G253-C257 PolarHBondContact O-SG 3.37Å
254N95Very high94.2Very high28 Ų2842.6 Ų42.615%0.1524%0.237CC..Hα-helixtrans-66.5-37.9177.7-81.7-27.7000113.1N223 K226 Y238 V250 V251 H252 C257 V258N223-N254 PolarHBondContact OD1-ND2 3.01Å; K226-N254 PolarHBondContact NZ-OD1 3.34Å; Y238-N254 HydrophobicContact CE1-CB 3.96Å; Y238-N254 HydrophobicContact CE2-CB 4.19Å; V250-N254 WeakPolarHBondContact O-CB 3.28Å; V250-N254 PolarHBondContact O-N 3.29Å; V251-N254 PolarHBondContact O-N 3.4Å; H252-N254 PolarHBondContact O-N 3.35Å; N254-C257 WeakPolarHBondContact O-CB 3.27Å; N254-C257 PolarHBondContact O-N 2.77Å; N254-V258 PolarHBondContact O-N 2.9Å
255L96.5Very high94.2Very high4 Ų441.3 Ų41.32%0.02123%0.23CC..Hα-helixtrans-64-42.4174.3177.560.1000111.1V235 Y238 L239 L242 V251 H252 C257 V258 Y259 T271V235-L255 HydrophobicContact CB-CD1 4.23Å; V235-L255 HydrophobicContact CG1-CD1 4.13Å; V235-L255 HydrophobicContact CG2-CD1 3.93Å; Y238-L255 HydrophobicContact CD2-CB 4.17Å; Y238-L255 HydrophobicContact CD2-CD1 4.15Å; Y238-L255 HydrophobicContact CG-CB 4.37Å; L239-L255 HydrophobicContact CD2-CD2 3.93Å; L242-L255 HydrophobicContact CD1-CD2 3.85Å; V251-L255 VanDerWaalsContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CB 3.3Å; V251-L255 PolarHBondContact O-N 2.75Å; H252-L255 PolarHBondContact O-N 2.73Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.71Å; L255-V258 WeakPolarHBondContact O-CB 3.28Å; L255-V258 PolarHBondContact O-N 3.43Å; L255-V258 VanDerWaalsContact O-N 3.09Å; L255-Y259 HydrophobicContact CD1-CD2 4.35Å; L255-Y259 HydrophobicContact CD1-CE1 4.12Å; L255-Y259 HydrophobicContact CD1-CE2 3.77Å; L255-Y259 HydrophobicContact CD2-CE2 3.87Å; L255-Y259 HydrophobicContact CG-CD2 4.04Å; L255-Y259 HydrophobicContact CG-CE2 3.5Å; L255-Y259 PolarHBondContact O-N 3.28Å; L255-T271 HydrophobicContact CB-CG2 4.34Å; L255-T271 HydrophobicContact CD2-CG2 4.26Å; L255-T271 HydrophobicContact CG-CG2 4.28Å
256A96.1Very high94.2Very high0 Ų043.9 Ų43.90%024%0.241CC..Hα-helixtrans-61.3-38.6175.200000112.1H252 G253 V258 Y259 Y260 T271 Y272H252-A256 WeakPolarHBondContact O-CB 3.34Å; H252-A256 PolarHBondContact O-N 2.95Å; G253-A256 WeakPolarHBondContact O-CB 3.3Å; G253-A256 PolarHBondContact O-N 3.35Å; A256-V258 VanDerWaalsContact C-N 3.31Å; A256-V258 PolarHBondContact O-N 3.25Å; A256-Y259 PolarHBondContact O-N 2.79Å; A256-Y260 WeakPolarHBondContact O-CB 3.46Å; A256-Y260 PolarHBondContact O-N 2.9Å; A256-T271 HydrophobicContact CB-CG2 3.88Å; A256-Y272 HydrophobicContact CB-CD1 3.39Å; A256-Y272 HydrophobicContact CB-CD2 3.79Å; A256-Y272 HydrophobicContact CB-CE1 3.37Å; A256-Y272 HydrophobicContact CB-CE2 3.78Å; A256-Y272 HydrophobicContact CB-CG 3.58Å
257C94.8Very high94.4Very high24 Ų2443.6 Ų43.616%0.16224%0.235CC..Hα-helixtrans-59.2-41.8171.8-630000111.9K226 G253 N254 L255 Y260 E261 Y272K226-C257 HydrophobicContact CD-CB 4.39Å; G253-C257 PolarHBondContact O-N 2.78Å; G253-C257 PolarHBondContact O-SG 3.37Å; N254-C257 WeakPolarHBondContact O-CB 3.27Å; N254-C257 PolarHBondContact O-N 2.77Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.71Å; C257-Y260 WeakPolarHBondContact O-CB 3.26Å; C257-Y260 PolarHBondContact O-N 3.08Å; C257-E261 WeakPolarHBondContact O-CG 3.4Å; C257-E261 PolarHBondContact O-N 2.74Å; C257-Y272 WeakPolarHBondContact CA-OH 3.44Å; C257-Y272 PolarHBondContact N-OH 3.36Å; C257-Y272 PolarHBondContact SG-OH 3.3Å
258V95.5Very high94.6Very high0 Ų038.4 Ų38.40%021%0.207CC..Hα-helixtrans-66.3-42.3177.5177.50000111.4K226 F231 A234 V235 Y238 N254 L255 A256 Y260 E261 Q262K226-V258 HydrophobicContact CB-CG2 4.01Å; K226-V258 HydrophobicContact CD-CG2 4Å; K226-V258 HydrophobicContact CG-CG2 3.78Å; F231-V258 HydrophobicContact CB-CG1 3.64Å; F231-V258 HydrophobicContact CD1-CG1 3.75Å; F231-V258 HydrophobicContact CD1-CG2 4.47Å; F231-V258 HydrophobicContact CG-CG1 4.01Å; A234-V258 HydrophobicContact CB-CG1 4.49Å; A234-V258 HydrophobicContact CB-CG2 4.18Å; V235-V258 HydrophobicContact CG2-CB 4.43Å; V235-V258 HydrophobicContact CG2-CG1 3.65Å; Y238-V258 HydrophobicContact CE2-CG2 3.91Å; N254-V258 PolarHBondContact O-N 2.9Å; L255-V258 WeakPolarHBondContact O-CB 3.28Å; L255-V258 PolarHBondContact O-N 3.43Å; L255-V258 VanDerWaalsContact O-N 3.09Å; A256-V258 VanDerWaalsContact C-N 3.31Å; A256-V258 PolarHBondContact O-N 3.25Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 3.09Å; V258-E261 PolarHBondContact O-N 3.35Å; V258-Q262 WeakPolarHBondContact O-CG 3.42Å; V258-Q262 PolarHBondContact O-N 2.98Å
259Y96.4Very high94.8Very high23 Ų2335.9 Ų35.99%0.0920%0.195CC..Hα-helixtrans-62.7-38175.2-68.8-35.9000112.6V235 L255 A256 Q262 G263 L264 L267V235-Y259 HydrophobicContact CG1-CE1 3.97Å; V235-Y259 HydrophobicContact CG2-CD1 4.18Å; V235-Y259 HydrophobicContact CG2-CE1 3.72Å; L255-Y259 HydrophobicContact CD1-CD2 4.35Å; L255-Y259 HydrophobicContact CD1-CE1 4.12Å; L255-Y259 HydrophobicContact CD1-CE2 3.77Å; L255-Y259 HydrophobicContact CD2-CE2 3.87Å; L255-Y259 HydrophobicContact CG-CD2 4.04Å; L255-Y259 HydrophobicContact CG-CE2 3.5Å; L255-Y259 PolarHBondContact O-N 3.28Å; A256-Y259 PolarHBondContact O-N 2.79Å; Y259-Q262 PolarHBondContact O-N 3.32Å; Y259-G263 PolarHBondContact O-N 3.07Å; Y259-L264 HydrophobicContact CD1-CD1 4Å; Y259-L264 WeakPolarHBondContact O-CB 3.45Å; Y259-L264 PolarHBondContact O-N 3.43Å; Y259-L267 HydrophobicContact CD1-CD2 3.71Å; Y259-L267 HydrophobicContact CD1-CG 4.4Å; Y259-L267 HydrophobicContact CD2-CB 4.33Å; Y259-L267 HydrophobicContact CD2-CD2 3.73Å; Y259-L267 HydrophobicContact CD2-CG 3.56Å; Y259-L267 HydrophobicContact CE1-CD2 3.53Å; Y259-L267 HydrophobicContact CE1-CG 4.44Å; Y259-L267 HydrophobicContact CE2-CD1 4.35Å; Y259-L267 HydrophobicContact CE2-CD2 3.54Å; Y259-L267 HydrophobicContact CE2-CG 3.59Å; Y259-L267 HydrophobicContact CG-CB 4.45Å; Y259-L267 HydrophobicContact CG-CD2 3.81Å; Y259-L267 HydrophobicContact CG-CG 3.98Å; Y259-L267 VanDerWaalsContact CZ-CD2 3.44Å
260Y94.7Very high94.9Very high68 Ų6840.1 Ų40.127%0.26722%0.216SC..Hα-helixtrans-61.6-49.3174.6-180-102.2000111.6A256 C257 V258 Q262 G263 I265 A292 E295A256-Y260 WeakPolarHBondContact O-CB 3.46Å; A256-Y260 PolarHBondContact O-N 2.9Å; C257-Y260 WeakPolarHBondContact O-CB 3.26Å; C257-Y260 PolarHBondContact O-N 3.08Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 3.09Å; Y260-Q262 PolarHBondContact O-N 2.97Å; Y260-G263 PolarHBondContact O-N 3.12Å; Y260-I265 HydrophobicContact CD2-CD1 3.93Å; Y260-I265 HydrophobicContact CE2-CD1 4.03Å; Y260-A292 HydrophobicContact CD2-CB 3.89Å; Y260-A292 HydrophobicContact CE2-CB 4.15Å; Y260-E295 WeakPolarHBondContact CE2-OE2 3.3Å; Y260-E295 PolarHBondContact OH-OE2 3.49Å
261E92.3Very high95Very high106 Ų10638 Ų3850%0.49520%0.204SC..Hα-helixtrans-63.5-25.8177.6-69.3-78.6174.500113.4F231 C257 V258 G263F231-E261 HydrophobicContact CE1-CB 3.89Å; F231-E261 HydrophobicContact CE1-CG 4.34Å; F231-E261 HydrophobicContact CE2-CB 3.99Å; F231-E261 HydrophobicContact CZ-CB 3.54Å; F231-E261 HydrophobicContact CZ-CG 4.16Å; C257-E261 WeakPolarHBondContact O-CG 3.4Å; C257-E261 PolarHBondContact O-N 2.74Å; V258-E261 PolarHBondContact O-N 3.35Å; E261-G263 VanDerWaalsContact C-N 3.3Å
262Q92.2Very high95.1Very high76 Ų7638.1 Ų38.136%0.35520%0.204SC..THydrogen-bonded Turntrans-81.4-5172.2-72-176.6-38.100113.7F231 V258 Y259 Y260 L264F231-Q262 HydrophobicContact CB-CG 3.7Å; F231-Q262 HydrophobicContact CD2-CG 3.87Å; F231-Q262 HydrophobicContact CG-CG 3.98Å; V258-Q262 WeakPolarHBondContact O-CG 3.42Å; V258-Q262 PolarHBondContact O-N 2.98Å; Y259-Q262 PolarHBondContact O-N 3.32Å; Y260-Q262 PolarHBondContact O-N 2.97Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 HydrophobicContact CB-CD1 4.33Å; Q262-L264 HydrophobicContact CB-CG 4.24Å
263G91.2Very high95.2Very high48 Ų4841.9 Ų41.950%0.49522%0.217SC..THydrogen-bonded Turntrans7811.9-175.700000114.5Y259 Y260 E261 I265Y259-G263 PolarHBondContact O-N 3.07Å; Y260-G263 PolarHBondContact O-N 3.12Å; E261-G263 VanDerWaalsContact C-N 3.3Å; G263-I265 PolarHBondContact O-N 2.96Å
264L94.5Very high95.2Very high83 Ų8346.2 Ų46.244%0.43523%0.232SC..  trans-84.565.2177.3-60.9174.4000110.3Y259 Q262 D266 L267 A268Y259-L264 HydrophobicContact CD1-CD1 4Å; Y259-L264 WeakPolarHBondContact O-CB 3.45Å; Y259-L264 PolarHBondContact O-N 3.43Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 HydrophobicContact CB-CD1 4.33Å; Q262-L264 HydrophobicContact CB-CG 4.24Å; L264-D266 PolarHBondContact O-N 3.47Å; L264-L267 HydrophobicContact CB-CB 4.26Å; L264-L267 HydrophobicContact CD1-CD2 4.36Å; L264-L267 PolarHBondContact O-N 3.28Å; L264-A268 PolarHBondContact O-N 2.91Å
265I94.3Very high95.2Very high29 Ų2944.9 Ų44.915%0.14923%0.225CC..Hα-helixtrans-59-45.5-166.7-53.8-55.6000113.3Y260 G263 L267 A268 I269 A292 E295 K296Y260-I265 HydrophobicContact CD2-CD1 3.93Å; Y260-I265 HydrophobicContact CE2-CD1 4.03Å; G263-I265 PolarHBondContact O-N 2.96Å; I265-L267 PolarHBondContact O-N 3.24Å; I265-A268 WeakPolarHBondContact O-CB 3.38Å; I265-A268 PolarHBondContact O-N 3.36Å; I265-I269 HydrophobicContact CG2-CD1 3.93Å; I265-I269 WeakPolarHBondContact O-CG1 3.23Å; I265-I269 PolarHBondContact O-N 2.83Å; I265-A292 HydrophobicContact CG2-CB 4.46Å; I265-A292 WeakPolarHBondContact CG2-O 3.49Å; I265-E295 HydrophobicContact CD1-CG 4.32Å; I265-K296 HydrophobicContact CG2-CB 4.12Å
266D94.9Very high95.2Very high89 Ų8945.6 Ų45.648%0.47623%0.229SC..Hα-helixtrans-63.3-42.7-180-71.3-43.5000112L264 A268 I269 D270 K296L264-D266 PolarHBondContact O-N 3.47Å; D266-A268 VanDerWaalsContact C-N 3.34Å; D266-A268 PolarHBondContact O-N 2.82Å; D266-I269 PolarHBondContact O-N 2.85Å; D266-D270 PolarHBondContact O-N 3.12Å; D266-K296 WeakPolarHBondContact OD1-CE 3.36Å; D266-K296 IonicContact OD1-NZ 2.69Å; D266-K296 PolarHBondContact OD1-NZ 3.09Å
267L95Very high95.2Very high76 Ų7651.8 Ų51.840%0.39826%0.258SS..Hα-helixtrans-67.2-37.7178.8-170.262.7000111.4Y259 L264 I265 T271Y259-L267 HydrophobicContact CD1-CD2 3.71Å; Y259-L267 HydrophobicContact CD1-CG 4.4Å; Y259-L267 HydrophobicContact CD2-CB 4.33Å; Y259-L267 HydrophobicContact CD2-CD2 3.73Å; Y259-L267 HydrophobicContact CD2-CG 3.56Å; Y259-L267 HydrophobicContact CE1-CD2 3.53Å; Y259-L267 HydrophobicContact CE1-CG 4.44Å; Y259-L267 HydrophobicContact CE2-CD1 4.35Å; Y259-L267 HydrophobicContact CE2-CD2 3.54Å; Y259-L267 HydrophobicContact CE2-CG 3.59Å; Y259-L267 HydrophobicContact CG-CB 4.45Å; Y259-L267 HydrophobicContact CG-CD2 3.81Å; Y259-L267 HydrophobicContact CG-CG 3.98Å; Y259-L267 VanDerWaalsContact CZ-CD2 3.44Å; L264-L267 HydrophobicContact CB-CB 4.26Å; L264-L267 HydrophobicContact CD1-CD2 4.36Å; L264-L267 PolarHBondContact O-N 3.28Å; I265-L267 PolarHBondContact O-N 3.24Å; L267-T271 VanDerWaalsContact O-CB 3.3Å; L267-T271 WeakPolarHBondContact O-CB 3.08Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 2.98Å
268A96.4Very high95.2Very high0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-61.2-47.2173.100000111.2L264 I265 D266 D270 T271 Y272L264-A268 PolarHBondContact O-N 2.91Å; I265-A268 WeakPolarHBondContact O-CB 3.38Å; I265-A268 PolarHBondContact O-N 3.36Å; D266-A268 VanDerWaalsContact C-N 3.34Å; D266-A268 PolarHBondContact O-N 2.82Å; A268-D270 PolarHBondContact O-N 2.72Å; A268-T271 PolarHBondContact O-N 3.34Å; A268-Y272 HydrophobicContact CB-CD2 4.45Å; A268-Y272 HydrophobicContact CB-CE2 4.17Å; A268-Y272 WeakPolarHBondContact O-CD2 3.31Å; A268-Y272 PolarHBondContact O-N 3.11Å
269I97.1Very high95.1Very high3 Ų356.8 Ų56.82%0.01528%0.28CS..Hα-helixtrans-57.9-50.5178.5-72.5165.9000111.3I265 D266 T271 Y272 R273 L289 A292 L293 K296I265-I269 HydrophobicContact CG2-CD1 3.93Å; I265-I269 WeakPolarHBondContact O-CG1 3.23Å; I265-I269 PolarHBondContact O-N 2.83Å; D266-I269 PolarHBondContact O-N 2.85Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.28Å; I269-Y272 PolarHBondContact O-N 2.75Å; I269-R273 WeakPolarHBondContact O-CG 3.3Å; I269-R273 PolarHBondContact O-N 3.32Å; I269-L289 HydrophobicContact CB-CD1 4.2Å; I269-L289 HydrophobicContact CG1-CD1 4.15Å; I269-L289 HydrophobicContact CG2-CD1 3.9Å; I269-A292 HydrophobicContact CD1-CB 4.46Å; I269-A292 HydrophobicContact CG1-CB 3.79Å; I269-L293 HydrophobicContact CD1-CD2 4.03Å; I269-L293 HydrophobicContact CG1-CD2 4.42Å; I269-L293 HydrophobicContact CG2-CD2 4.43Å; I269-K296 HydrophobicContact CD1-CB 4.25Å; I269-K296 HydrophobicContact CD1-CD 3.55Å
270D96.5Very high95Very high97 Ų9759.6 Ų59.652%0.51930%0.301SS..Hα-helixtrans-63.2-39.4-179.3-72.1-18.5000111.5D266 A268 R273 R274D266-D270 PolarHBondContact O-N 3.12Å; A268-D270 PolarHBondContact O-N 2.72Å; D270-R273 PolarHBondContact O-N 2.96Å; D270-R274 PolarHBondContact O-N 2.88Å
271T96.3Very high94.9Very high14 Ų1462.1 Ų62.19%0.08632%0.315CS..Hα-helixtrans-70.7-38.2179.3-49.60000111.8H252 L255 A256 L267 A268 I269 R274 A275H252-T271 HydrophobicContact CB-CG2 4.22Å; H252-T271 VanDerWaalsContact O-CG2 3.25Å; H252-T271 WeakPolarHBondContact O-CG2 3.46Å; L255-T271 HydrophobicContact CB-CG2 4.34Å; L255-T271 HydrophobicContact CD2-CG2 4.26Å; L255-T271 HydrophobicContact CG-CG2 4.28Å; A256-T271 HydrophobicContact CB-CG2 3.88Å; L267-T271 VanDerWaalsContact O-CB 3.3Å; L267-T271 WeakPolarHBondContact O-CB 3.08Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 2.98Å; A268-T271 PolarHBondContact O-N 3.34Å; I269-T271 VanDerWaalsContact C-N 3.3Å; I269-T271 PolarHBondContact O-N 3.28Å; T271-R274 WeakPolarHBondContact O-CB 3.37Å; T271-R274 PolarHBondContact O-N 3.36Å; T271-A275 PolarHBondContact O-N 2.69Å
272Y97.3Very high95Very high3 Ų358.7 Ų58.71%0.01230%0.298CS..Hα-helixtrans-63.9-43.3172.1-76.3-55.7000112A256 C257 A268 I269 R274 A275 I276 N288 L289 A292A256-Y272 HydrophobicContact CB-CD1 3.39Å; A256-Y272 HydrophobicContact CB-CD2 3.79Å; A256-Y272 HydrophobicContact CB-CE1 3.37Å; A256-Y272 HydrophobicContact CB-CE2 3.78Å; A256-Y272 HydrophobicContact CB-CG 3.58Å; C257-Y272 WeakPolarHBondContact CA-OH 3.44Å; C257-Y272 PolarHBondContact N-OH 3.36Å; C257-Y272 PolarHBondContact SG-OH 3.3Å; A268-Y272 HydrophobicContact CB-CD2 4.45Å; A268-Y272 HydrophobicContact CB-CE2 4.17Å; A268-Y272 WeakPolarHBondContact O-CD2 3.31Å; A268-Y272 PolarHBondContact O-N 3.11Å; I269-Y272 PolarHBondContact O-N 2.75Å; Y272-R274 PolarHBondContact O-N 3.21Å; Y272-A275 WeakPolarHBondContact O-CB 3.37Å; Y272-A275 PolarHBondContact O-N 2.95Å; Y272-A275 VanDerWaalsContact O-N 3.1Å; Y272-I276 WeakPolarHBondContact O-CG1 3.37Å; Y272-I276 PolarHBondContact O-N 3.04Å; Y272-N288 HydrophobicContact CD1-CB 4.3Å; Y272-N288 HydrophobicContact CE1-CB 3.54Å; Y272-N288 HydrophobicContact CE2-CB 4.11Å; Y272-N288 VanDerWaalsContact CZ-CB 3.44Å; Y272-N288 WeakPolarHBondContact OH-CB 3.21Å; Y272-L289 HydrophobicContact CD2-CB 4.35Å; Y272-L289 HydrophobicContact CG-CB 4.23Å; Y272-A292 HydrophobicContact CE2-CB 4.46Å
273R96.7Very high95Very high103 Ų10356 Ų5639%0.38929%0.288SS..Hα-helixtrans-58-41.6174.9-75.9175.5173.7169.2-3.3110.8I269 D270 A275 I276 E277 L289 E301I269-R273 WeakPolarHBondContact O-CG 3.3Å; I269-R273 PolarHBondContact O-N 3.32Å; D270-R273 PolarHBondContact O-N 2.96Å; R273-A275 PolarHBondContact O-N 2.69Å; R273-I276 PolarHBondContact O-N 3.22Å; R273-E277 WeakPolarHBondContact O-CG 3.44Å; R273-E277 PolarHBondContact O-N 3.28Å; R273-L289 HydrophobicContact CG-CD1 4.44Å; R273-L289 HydrophobicContact CG-CD2 4.14Å; R273-E301 IonicContact NH2-OE2 3.96Å; R273-E301 PolarHBondContact NH2-OE2 3.37Å
274R95.9Very high95.1Very high97 Ų9757.5 Ų57.537%0.36628%0.284SS..Hα-helixtrans-62.8-40.9174.9-17357.4-178.9169.43.1112.9N247 D270 T271 Y272 I276 E277 L278N247-R274 PolarHBondContact OD1-NH2 3.33Å; D270-R274 PolarHBondContact O-N 2.88Å; T271-R274 WeakPolarHBondContact O-CB 3.37Å; T271-R274 PolarHBondContact O-N 3.36Å; Y272-R274 PolarHBondContact O-N 3.21Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 3.35Å; R274-E277 IonicContact CZ-OE2 3.1Å; R274-E277 IonicContact NH1-OE2 2.68Å; R274-E277 PolarHBondContact NH1-OE2 3.38Å; R274-E277 PolarHBondContact O-N 2.89Å; R274-L278 HydrophobicContact CG-CD1 4.35Å; R274-L278 VanDerWaalsContact O-CG 3.27Å; R274-L278 WeakPolarHBondContact O-CG 3.41Å; R274-L278 PolarHBondContact O-N 3.24Å; R274-L278 VanDerWaalsContact O-N 3.16Å
275A95.6Very high95.1Very high0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-60.2-42.3174.700000111.9A249 H252 T271 Y272 R273 L278 Q279A249-A275 WeakPolarHBondContact O-CB 3.35Å; H252-A275 HydrophobicContact CB-CB 3.77Å; T271-A275 PolarHBondContact O-N 2.69Å; Y272-A275 WeakPolarHBondContact O-CB 3.37Å; Y272-A275 PolarHBondContact O-N 2.95Å; Y272-A275 VanDerWaalsContact O-N 3.1Å; R273-A275 PolarHBondContact O-N 2.69Å; A275-L278 PolarHBondContact O-N 3.07Å; A275-Q279 PolarHBondContact O-N 3.45Å
276I96.1Very high95.2Very high18 Ų1854.2 Ų54.29%0.09227%0.265CS..Hα-helixtrans-70-40.1179.7-68.5163.3000111.8Y272 R273 R274 L278 Q279 P280 A285 Y286 L289Y272-I276 WeakPolarHBondContact O-CG1 3.37Å; Y272-I276 PolarHBondContact O-N 3.04Å; R273-I276 PolarHBondContact O-N 3.22Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 3.35Å; I276-L278 VanDerWaalsContact C-N 3.26Å; I276-L278 PolarHBondContact O-N 2.9Å; I276-Q279 CarbonylContact O-C 3.24Å; I276-Q279 PolarHBondContact O-N 2.98Å; I276-P280 WeakPolarHBondContact O-CA 3.39Å; I276-P280 VanDerWaalsContact O-N 3.09Å; I276-A285 HydrophobicContact CD1-CB 4.32Å; I276-A285 HydrophobicContact CG1-CB 3.83Å; I276-Y286 HydrophobicContact CD1-CD1 3.89Å; I276-Y286 HydrophobicContact CD1-CD2 4.36Å; I276-Y286 HydrophobicContact CD1-CE1 4.01Å; I276-Y286 HydrophobicContact CD1-CE2 4.46Å; I276-Y286 HydrophobicContact CD1-CG 4.08Å; I276-Y286 HydrophobicContact CG1-CD2 4.38Å; I276-Y286 HydrophobicContact CG1-CE2 4.26Å; I276-Y286 HydrophobicContact CG2-CE1 3.92Å; I276-Y286 HydrophobicContact CG2-CE2 3.83Å; I276-Y286 WeakPolarHBondContact CG2-OH 3.42Å; I276-L289 HydrophobicContact CD1-CB 4.44Å; I276-L289 HydrophobicContact CD1-CD2 3.67Å
277E95.7Very high95.2Very high130 Ų13050 Ų5061%0.60724%0.243SC*.Hα-helixtrans-58.4-40.7173.5-78.1178-179.100111.8R273 R274R273-E277 WeakPolarHBondContact O-CG 3.44Å; R273-E277 PolarHBondContact O-N 3.28Å; R274-E277 IonicContact CZ-OE2 3.1Å; R274-E277 IonicContact NH1-OE2 2.68Å; R274-E277 PolarHBondContact NH1-OE2 3.38Å; R274-E277 PolarHBondContact O-N 2.89Å
278L94.5Very high95.3Very high48 Ų4848.8 Ų48.825%0.25124%0.236SC..Hα-helixtrans-72.6-37.5178.7-68.8171.5000112.1N247 A249 H252 R274 A275 I276N247-L278 HydrophobicContact CB-CD2 3.77Å; A249-L278 HydrophobicContact CB-CB 3.81Å; H252-L278 WeakPolarHBondContact CD2-CD1 3.35Å; R274-L278 HydrophobicContact CG-CD1 4.35Å; R274-L278 VanDerWaalsContact O-CG 3.27Å; R274-L278 WeakPolarHBondContact O-CG 3.41Å; R274-L278 PolarHBondContact O-N 3.24Å; R274-L278 VanDerWaalsContact O-N 3.16Å; A275-L278 PolarHBondContact O-N 3.07Å; I276-L278 VanDerWaalsContact C-N 3.26Å; I276-L278 PolarHBondContact O-N 2.9Å
279Q94.6Very high95.3Very high82 Ų8249.1 Ų49.138%0.38324%0.238SC..  trans-139.495.1177.9-174.1175.4-10.200111A249 A275 I276 H281 F282A249-Q279 HydrophobicContact CB-CB 3.54Å; A275-Q279 PolarHBondContact O-N 3.45Å; I276-Q279 CarbonylContact O-C 3.24Å; I276-Q279 PolarHBondContact O-N 2.98Å; Q279-H281 PolarHBondContact NE2-O 3.3Å; Q279-H281 PolarHBondContact O-N 3.43Å; Q279-F282 HydrophobicContact CG-CB 4.39Å; Q279-F282 WeakPolarHBondContact O-CB 3.32Å
280P93.6Very high95.2Very high81 Ų8149 Ų4953%0.52624%0.237SC..SBendtrans-66.1-21.6-179.4-25.935.4000114.4I276 F282 Y286 L312I276-P280 WeakPolarHBondContact O-CA 3.39Å; I276-P280 VanDerWaalsContact O-N 3.09Å; P280-F282 VanDerWaalsContact C-N 3.34Å; P280-F282 PolarHBondContact O-N 3.16Å; P280-Y286 WeakPolarHBondContact O-CE2 3.46Å; P280-L312 WeakPolarHBondContact O-CD1 3.48Å
281H93.5Very high95.1Very high122 Ų12246.1 Ų46.157%0.56522%0.222SC*.  trans-93.464.2176.9-156.973.7000110.5Q279 L312Q279-H281 PolarHBondContact NE2-O 3.3Å; Q279-H281 PolarHBondContact O-N 3.43Å; H281-L312 WeakPolarHBondContact ND1-CD2 3.31Å
282F92.7Very high95.1Very high33 Ų3345.5 Ų45.515%0.14522%0.218CC..  trans-136.180.1-177-163.2178.9000112Q279 P280 D284 A285 Y286Q279-F282 HydrophobicContact CG-CB 4.39Å; Q279-F282 WeakPolarHBondContact O-CB 3.32Å; P280-F282 VanDerWaalsContact C-N 3.34Å; P280-F282 PolarHBondContact O-N 3.16Å; F282-D284 HydrophobicContact CD2-CB 4.33Å; F282-D284 HydrophobicContact CE2-CB 4.01Å; F282-D284 PolarHBondContact O-N 3.22Å; F282-A285 HydrophobicContact CB-CB 4.14Å; F282-A285 HydrophobicContact CD1-CB 3.61Å; F282-A285 HydrophobicContact CD2-CB 4.17Å; F282-A285 HydrophobicContact CE1-CB 4.02Å; F282-A285 HydrophobicContact CG-CB 3.69Å; F282-A285 HydrophobicContact CZ-CB 4.47Å; F282-A285 PolarHBondContact O-N 3.21Å; F282-Y286 WeakPolarHBondContact O-CD2 3.44Å; F282-Y286 PolarHBondContact O-N 2.76Å
283P93.3Very high95Very high20 Ų2045.5 Ų45.513%0.1322%0.219CC..Hα-helixtrans-55.3-44.2-174.2-23.731.8000114.4A285 Y286 C287 A309 L312 C313P283-A285 VanDerWaalsContact C-N 3.28Å; P283-A285 PolarHBondContact O-N 3.19Å; P283-Y286 WeakPolarHBondContact O-CB 3.47Å; P283-Y286 PolarHBondContact O-N 3.17Å; P283-Y286 VanDerWaalsContact O-N 3.13Å; P283-C287 PolarHBondContact O-N 3.46Å; P283-A309 HydrophobicContact CB-CB 4.48Å; P283-L312 HydrophobicContact CG-CB 3.95Å; P283-C313 HydrophobicContact CB-CB 3.96Å; P283-C313 HydrophobicContact CG-CB 3.6Å
284D92.8Very high94.7Very high79 Ų7943.7 Ų43.742%0.42221%0.213SC..Hα-helixtrans-61.1-37.6-178.8-54.8-3.5000111.7F282 C287 N288 H316F282-D284 HydrophobicContact CD2-CB 4.33Å; F282-D284 HydrophobicContact CE2-CB 4.01Å; F282-D284 PolarHBondContact O-N 3.22Å; D284-C287 PolarHBondContact O-N 3.36Å; D284-N288 WeakPolarHBondContact O-CB 3.49Å; D284-N288 VanDerWaalsContact O-CG 3.27Å; D284-N288 PolarHBondContact O-N 3.31Å; D284-N288 PolarHBondContact O-ND2 2.99Å; D284-H316 IonicContact OD1-CD2 3.87Å; D284-H316 PolarHBondContact OD1-CD2 3.12Å; D284-H316 IonicContact OD1-NE2 3.09Å; D284-H316 PolarHBondContact OD1-NE2 3.11Å; D284-H316 VanDerWaalsContact OD1-NE2 3.08Å
285A94.2Very high94.4Very high2 Ų244.5 Ų44.52%0.01722%0.221CC..Hα-helixtrans-66.3-39.917700000111.7I276 F282 P283 L289I276-A285 HydrophobicContact CD1-CB 4.32Å; I276-A285 HydrophobicContact CG1-CB 3.83Å; F282-A285 HydrophobicContact CB-CB 4.14Å; F282-A285 HydrophobicContact CD1-CB 3.61Å; F282-A285 HydrophobicContact CD2-CB 4.17Å; F282-A285 HydrophobicContact CE1-CB 4.02Å; F282-A285 HydrophobicContact CG-CB 3.69Å; F282-A285 HydrophobicContact CZ-CB 4.47Å; F282-A285 PolarHBondContact O-N 3.21Å; P283-A285 VanDerWaalsContact C-N 3.28Å; P283-A285 PolarHBondContact O-N 3.19Å; A285-L289 WeakPolarHBondContact O-CB 3.45Å; A285-L289 PolarHBondContact O-N 3.46Å
286Y96.9Very high94.2Very high41 Ų4149.9 Ų49.916%0.16125%0.245CC..Hα-helixtrans-64.9-42172.2-79.1-78000112I276 P280 F282 P283 A290 C305 T308 L312I276-Y286 HydrophobicContact CD1-CD1 3.89Å; I276-Y286 HydrophobicContact CD1-CD2 4.36Å; I276-Y286 HydrophobicContact CD1-CE1 4.01Å; I276-Y286 HydrophobicContact CD1-CE2 4.46Å; I276-Y286 HydrophobicContact CD1-CG 4.08Å; I276-Y286 HydrophobicContact CG1-CD2 4.38Å; I276-Y286 HydrophobicContact CG1-CE2 4.26Å; I276-Y286 HydrophobicContact CG2-CE1 3.92Å; I276-Y286 HydrophobicContact CG2-CE2 3.83Å; I276-Y286 WeakPolarHBondContact CG2-OH 3.42Å; P280-Y286 WeakPolarHBondContact O-CE2 3.46Å; F282-Y286 WeakPolarHBondContact O-CD2 3.44Å; F282-Y286 PolarHBondContact O-N 2.76Å; P283-Y286 WeakPolarHBondContact O-CB 3.47Å; P283-Y286 PolarHBondContact O-N 3.17Å; P283-Y286 VanDerWaalsContact O-N 3.13Å; Y286-A290 WeakPolarHBondContact O-CB 3.48Å; Y286-A290 PolarHBondContact O-N 3.31Å; Y286-C305 HydrophobicContact CD1-CB 4.47Å; Y286-T308 HydrophobicContact CD1-CG2 3.92Å; Y286-T308 HydrophobicContact CD2-CG2 4.27Å; Y286-T308 HydrophobicContact CE1-CG2 3.59Å; Y286-T308 HydrophobicContact CE2-CG2 3.97Å; Y286-T308 HydrophobicContact CG-CG2 4.24Å; Y286-L312 HydrophobicContact CD2-CD1 3.66Å; Y286-L312 HydrophobicContact CE2-CD1 3.55Å
287C95.7Very high93.9Very high2 Ų251.5 Ų51.51%0.01427%0.266CS..Hα-helixtrans-62.3-45.6177.4-171.40000111.8P283 D284 A290 N291 S319P283-C287 PolarHBondContact O-N 3.46Å; D284-C287 PolarHBondContact O-N 3.36Å; C287-A290 WeakPolarHBondContact O-CB 3.49Å; C287-A290 PolarHBondContact O-N 3.09Å; C287-N291 PolarHBondContact O-N 3.07Å; C287-S319 VanDerWaalsContact CB-OG 3.27Å; C287-S319 WeakPolarHBondContact CB-OG 3.39Å; C287-S319 PolarHBondContact SG-OG 3.02Å
288N95.2Very high93.8Very high49 Ų4947.2 Ų47.226%0.26225%0.25SS..Hα-helixtrans-73.1-34.7-179.5-68.1-27.5000112.6Y272 D284 A290 N291 A292Y272-N288 HydrophobicContact CD1-CB 4.3Å; Y272-N288 HydrophobicContact CE1-CB 3.54Å; Y272-N288 HydrophobicContact CE2-CB 4.11Å; Y272-N288 VanDerWaalsContact CZ-CB 3.44Å; Y272-N288 WeakPolarHBondContact OH-CB 3.21Å; D284-N288 WeakPolarHBondContact O-CB 3.49Å; D284-N288 VanDerWaalsContact O-CG 3.27Å; D284-N288 PolarHBondContact O-N 3.31Å; D284-N288 PolarHBondContact O-ND2 2.99Å; N288-A290 VanDerWaalsContact C-N 3.29Å; N288-A290 PolarHBondContact O-N 2.88Å; N288-N291 WeakPolarHBondContact O-CB 3.44Å; N288-N291 PolarHBondContact O-N 3.34Å; N288-A292 PolarHBondContact O-N 2.88Å; N288-A292 VanDerWaalsContact O-N 3.08Å
289L97Very high93.7Very high7 Ų747.4 Ų47.44%0.03725%0.253CS..Hα-helixtrans-59.1-43.4168.2175.758.5000110.9I269 Y272 R273 I276 A285 N291 A292 L293I269-L289 HydrophobicContact CB-CD1 4.2Å; I269-L289 HydrophobicContact CG1-CD1 4.15Å; I269-L289 HydrophobicContact CG2-CD1 3.9Å; Y272-L289 HydrophobicContact CD2-CB 4.35Å; Y272-L289 HydrophobicContact CG-CB 4.23Å; R273-L289 HydrophobicContact CG-CD1 4.44Å; R273-L289 HydrophobicContact CG-CD2 4.14Å; I276-L289 HydrophobicContact CD1-CB 4.44Å; I276-L289 HydrophobicContact CD1-CD2 3.67Å; A285-L289 WeakPolarHBondContact O-CB 3.45Å; A285-L289 PolarHBondContact O-N 3.46Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3Å; L289-A292 PolarHBondContact O-N 2.64Å; L289-L293 HydrophobicContact CD1-CD1 3.98Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CD2-CD1 4.44Å; L289-L293 HydrophobicContact CG-CD1 3.78Å; L289-L293 HydrophobicContact CG-CG 4.29Å; L289-L293 WeakPolarHBondContact O-CB 3.18Å; L289-L293 VanDerWaalsContact O-CG 3.3Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 2.97Å
290A95.9Very high93.7Very high0 Ų046.9 Ų46.90%026%0.263CS..Hα-helixtrans-63.1-39.3177.600000112.4Y286 C287 N288 L293 K294 A302 C305 Y306Y286-A290 WeakPolarHBondContact O-CB 3.48Å; Y286-A290 PolarHBondContact O-N 3.31Å; C287-A290 WeakPolarHBondContact O-CB 3.49Å; C287-A290 PolarHBondContact O-N 3.09Å; N288-A290 VanDerWaalsContact C-N 3.29Å; N288-A290 PolarHBondContact O-N 2.88Å; A290-L293 PolarHBondContact O-N 2.85Å; A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 3.1Å; A290-A302 HydrophobicContact CB-CB 4.24Å; A290-A302 WeakPolarHBondContact CB-O 3.47Å; A290-A302 WeakPolarHBondContact O-CB 3.38Å; A290-C305 HydrophobicContact CB-CB 3.67Å; A290-Y306 HydrophobicContact CB-CD1 3.74Å; A290-Y306 HydrophobicContact CB-CD2 3.81Å; A290-Y306 HydrophobicContact CB-CE1 3.47Å; A290-Y306 VanDerWaalsContact CB-CE1 3.47Å; A290-Y306 HydrophobicContact CB-CE2 3.53Å; A290-Y306 HydrophobicContact CB-CG 3.89Å
291N94.3Very high93.7Very high38 Ų3847.4 Ų47.420%0.20326%0.259CS..Hα-helixtrans-58.2-49.5172.7-68.4-28.1000111C287 N288 L289 L293 K294 E295 Y306 N322C287-N291 PolarHBondContact O-N 3.07Å; N288-N291 WeakPolarHBondContact O-CB 3.44Å; N288-N291 PolarHBondContact O-N 3.34Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3Å; N291-L293 PolarHBondContact O-N 3.48Å; N291-K294 PolarHBondContact O-N 2.89Å; N291-E295 PolarHBondContact O-N 2.8Å; N291-Y306 PolarHBondContact OD1-OH 3.42Å; N291-N322 PolarHBondContact OD1-ND2 3.16Å
292A95.1Very high93.8Very high0 Ų041.6 Ų41.60%023%0.232CC..Hα-helixtrans-64.5-40.3178.800000112.9Y260 I265 I269 Y272 N288 L289 E295 K296Y260-A292 HydrophobicContact CD2-CB 3.89Å; Y260-A292 HydrophobicContact CE2-CB 4.15Å; I265-A292 HydrophobicContact CG2-CB 4.46Å; I265-A292 WeakPolarHBondContact CG2-O 3.49Å; I269-A292 HydrophobicContact CD1-CB 4.46Å; I269-A292 HydrophobicContact CG1-CB 3.79Å; Y272-A292 HydrophobicContact CE2-CB 4.46Å; N288-A292 PolarHBondContact O-N 2.88Å; N288-A292 VanDerWaalsContact O-N 3.08Å; L289-A292 PolarHBondContact O-N 2.64Å; A292-E295 PolarHBondContact O-N 3.21Å; A292-K296 PolarHBondContact O-N 2.8Å
293L95.2Very high94Very high4 Ų441.8 Ų41.82%0.02123%0.233CC..Hα-helixtrans-64.8-39.3175.4-74.4168.4000112.1I269 L289 A290 N291 E295 K296 G297 S298 E301 A302I269-L293 HydrophobicContact CD1-CD2 4.03Å; I269-L293 HydrophobicContact CG1-CD2 4.42Å; I269-L293 HydrophobicContact CG2-CD2 4.43Å; L289-L293 HydrophobicContact CD1-CD1 3.98Å; L289-L293 HydrophobicContact CD1-CG 4.01Å; L289-L293 HydrophobicContact CD2-CD1 4.44Å; L289-L293 HydrophobicContact CG-CD1 3.78Å; L289-L293 HydrophobicContact CG-CG 4.29Å; L289-L293 WeakPolarHBondContact O-CB 3.18Å; L289-L293 VanDerWaalsContact O-CG 3.3Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 2.97Å; A290-L293 PolarHBondContact O-N 2.85Å; N291-L293 PolarHBondContact O-N 3.48Å; L293-E295 VanDerWaalsContact C-N 3.35Å; L293-K296 PolarHBondContact O-N 3.08Å; L293-G297 PolarHBondContact O-N 3.45Å; L293-G297 VanDerWaalsContact O-N 3.13Å; L293-S298 PolarHBondContact O-N 2.78Å; L293-E301 HydrophobicContact CD1-CB 3.92Å; L293-E301 HydrophobicContact CD2-CB 4.46Å; L293-A302 HydrophobicContact CB-CB 3.98Å
294K91.3Very high94.1Very high64 Ų6445.7 Ų45.728%0.27825%0.253SS..Hα-helixtrans-61-45.7174.7-175-171.7175.7-176.70110.5A290 N291 K296 G297 A302 I326 E329A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 3.1Å; N291-K294 PolarHBondContact O-N 2.89Å; K294-K296 VanDerWaalsContact C-N 3.29Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-G297 WeakPolarHBondContact O-CA 3.21Å; K294-G297 PolarHBondContact O-N 3.47Å; K294-A302 HydrophobicContact CB-CB 4.28Å; K294-I326 HydrophobicContact CD-CD1 4.38Å; K294-I326 HydrophobicContact CD-CG1 4.24Å; K294-E329 WeakPolarHBondContact CE-OE2 3.27Å; K294-E329 IonicContact NZ-OE1 3.14Å; K294-E329 PolarHBondContact NZ-OE1 3.38Å; K294-E329 IonicContact NZ-OE2 2.78Å; K294-E329 PolarHBondContact NZ-OE2 2.98Å
295E89.8Confident94.2Very high115 Ų11542.7 Ų42.754%0.53724%0.238SC..Hα-helixtrans-64.9-33.6179-167.3162.6171.200112.6Y260 I265 N291 A292 L293 G297Y260-E295 WeakPolarHBondContact CE2-OE2 3.3Å; Y260-E295 PolarHBondContact OH-OE2 3.49Å; I265-E295 HydrophobicContact CD1-CG 4.32Å; N291-E295 PolarHBondContact O-N 2.8Å; A292-E295 PolarHBondContact O-N 3.21Å; L293-E295 VanDerWaalsContact C-N 3.35Å; E295-G297 PolarHBondContact O-N 2.88Å
296K91.8Very high94.4Very high112 Ų11242.7 Ų42.749%0.48724%0.238SC..THydrogen-bonded Turntrans-70.8-12.2169.7-171.4169.3176.3170.70113.8I265 D266 I269 A292 L293 K294I265-K296 HydrophobicContact CG2-CB 4.12Å; D266-K296 WeakPolarHBondContact OD1-CE 3.36Å; D266-K296 IonicContact OD1-NZ 2.69Å; D266-K296 PolarHBondContact OD1-NZ 3.09Å; I269-K296 HydrophobicContact CD1-CB 4.25Å; I269-K296 HydrophobicContact CD1-CD 3.55Å; A292-K296 PolarHBondContact O-N 2.8Å; L293-K296 PolarHBondContact O-N 3.08Å; K294-K296 VanDerWaalsContact C-N 3.29Å; K294-K296 PolarHBondContact O-N 2.87Å
297G89.2Confident94.3Very high53 Ų5343.5 Ų43.555%0.54624%0.244SC..THydrogen-bonded Turntrans88.66-177.600000115.1L293 K294 E295 V299L293-G297 PolarHBondContact O-N 3.45Å; L293-G297 VanDerWaalsContact O-N 3.13Å; K294-G297 WeakPolarHBondContact O-CA 3.21Å; K294-G297 PolarHBondContact O-N 3.47Å; E295-G297 PolarHBondContact O-N 2.88Å; G297-V299 VanDerWaalsContact C-N 3.29Å; G297-V299 PolarHBondContact O-N 3.35Å
298S93.4Very high94.3Very high39 Ų3944.5 Ų44.527%0.27325%0.251SS..  trans-85.565178.7-58.90000111.3L293 A300 E301 A302L293-S298 PolarHBondContact O-N 2.78Å; S298-A300 PolarHBondContact O-N 3.03Å; S298-E301 PolarHBondContact O-N 3.17Å; S298-A302 PolarHBondContact O-N 3.13Å
299V92.5Very high94.3Very high52 Ų5242.2 Ų42.232%0.31524%0.238SC..Hα-helixtrans-62.6-38.2-169.8-176.40000113G297 A302 E303 I326G297-V299 VanDerWaalsContact C-N 3.29Å; G297-V299 PolarHBondContact O-N 3.35Å; V299-A302 PolarHBondContact O-N 3.04Å; V299-E303 PolarHBondContact O-N 2.97Å; V299-I326 HydrophobicContact CG1-CD1 4.26Å; V299-I326 HydrophobicContact CG1-CG2 3.7Å
300A93.5Very high94.2Very high71 Ų7143 Ų4359%0.58724%0.243SC*.Hα-helixtrans-64.8-46.2179.300000112S298 A302 E303 D304S298-A300 PolarHBondContact O-N 3.03Å; A300-A302 VanDerWaalsContact C-N 3.32Å; A300-A302 PolarHBondContact O-N 3.23Å; A300-E303 WeakPolarHBondContact O-CB 3.22Å; A300-E303 PolarHBondContact O-N 2.99Å; A300-D304 PolarHBondContact O-N 3.19Å; A300-D304 VanDerWaalsContact O-N 3.08Å
301E95.1Very high94.1Very high93 Ų9352 Ų5244%0.43528%0.276SS..Hα-helixtrans-65.6-36.4176.4-68.5-174.9-149.900111.8R273 L293 S298 E303 D304 C305R273-E301 IonicContact NH2-OE2 3.96Å; R273-E301 PolarHBondContact NH2-OE2 3.37Å; L293-E301 HydrophobicContact CD1-CB 3.92Å; L293-E301 HydrophobicContact CD2-CB 4.46Å; S298-E301 PolarHBondContact O-N 3.17Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.5Å; E301-D304 PolarHBondContact O-N 2.88Å; E301-C305 WeakPolarHBondContact O-CB 3.28Å; E301-C305 PolarHBondContact O-N 2.96Å; E301-C305 PolarHBondContact O-SG 3.43Å
302A95.9Very high94.2Very high0 Ų052.5 Ų52.50%028%0.279CS..Hα-helixtrans-61.1-42.6173.900000111.2A290 L293 K294 S298 V299 A300 C305 Y306 I326A290-A302 HydrophobicContact CB-CB 4.24Å; A290-A302 WeakPolarHBondContact CB-O 3.47Å; A290-A302 WeakPolarHBondContact O-CB 3.38Å; L293-A302 HydrophobicContact CB-CB 3.98Å; K294-A302 HydrophobicContact CB-CB 4.28Å; S298-A302 PolarHBondContact O-N 3.13Å; V299-A302 PolarHBondContact O-N 3.04Å; A300-A302 VanDerWaalsContact C-N 3.32Å; A300-A302 PolarHBondContact O-N 3.23Å; A302-C305 PolarHBondContact O-N 2.63Å; A302-Y306 HydrophobicContact CB-CE2 4.41Å; A302-Y306 WeakPolarHBondContact O-CD2 3.23Å; A302-Y306 PolarHBondContact O-N 3.38Å; A302-I326 HydrophobicContact CB-CD1 4.15Å
303E95.2Very high94.1Very high36 Ų3654.2 Ų54.217%0.16829%0.291CS..Hα-helixtrans-60.7-46176.5-157.8-174.9138.600112V299 A300 E301 C305 Y306 N307 L323 K327 Q330V299-E303 PolarHBondContact O-N 2.97Å; A300-E303 WeakPolarHBondContact O-CB 3.22Å; A300-E303 PolarHBondContact O-N 2.99Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.5Å; E303-C305 VanDerWaalsContact C-N 3.29Å; E303-C305 PolarHBondContact O-N 2.84Å; E303-Y306 PolarHBondContact O-N 2.84Å; E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 PolarHBondContact O-N 2.85Å; E303-N307 PolarHBondContact O-ND2 2.94Å; E303-N307 VanDerWaalsContact O-ND2 3.16Å; E303-L323 HydrophobicContact CG-CD1 3.5Å; E303-L323 VanDerWaalsContact CG-CD1 3.5Å; E303-K327 WeakPolarHBondContact OE1-CE 3.39Å; E303-K327 IonicContact OE1-NZ 3Å; E303-K327 PolarHBondContact OE1-NZ 3.37Å; E303-K327 IonicContact OE2-NZ 2.76Å; E303-K327 PolarHBondContact OE2-NZ 3.01Å; E303-Q330 PolarHBondContact OE2-NE2 3.49Å
304D95.8Very high93.9Very high103 Ų10357.5 Ų57.555%0.55131%0.312SS*.Hα-helixtrans-61.6-37.8176.5-74.6-24.1000112.2A300 E301 T308A300-D304 PolarHBondContact O-N 3.19Å; A300-D304 VanDerWaalsContact O-N 3.08Å; E301-D304 PolarHBondContact O-N 2.88Å; D304-T308 WeakPolarHBondContact O-CB 3.37Å; D304-T308 PolarHBondContact O-N 3.38Å; D304-T308 PolarHBondContact O-OG1 2.82Å
305C96.2Very high93.9Very high16 Ų1658.8 Ų58.811%0.10833%0.326CS..Hα-helixtrans-65.8-45.9175.3-70.40000111.5Y286 A290 E301 A302 E303 N307 T308 A309Y286-C305 HydrophobicContact CD1-CB 4.47Å; A290-C305 HydrophobicContact CB-CB 3.67Å; E301-C305 WeakPolarHBondContact O-CB 3.28Å; E301-C305 PolarHBondContact O-N 2.96Å; E301-C305 PolarHBondContact O-SG 3.43Å; A302-C305 PolarHBondContact O-N 2.63Å; E303-C305 VanDerWaalsContact C-N 3.29Å; E303-C305 PolarHBondContact O-N 2.84Å; C305-N307 PolarHBondContact O-N 2.79Å; C305-T308 PolarHBondContact O-N 2.83Å; C305-A309 PolarHBondContact O-N 3.44Å
306Y96.4Very high94.1Very high2 Ų254.5 Ų54.51%0.00831%0.306CS..Hα-helixtrans-61.1-45.1174.2-70.1-55.9000112.3A290 N291 A302 E303 T308 A309 L310 N322 L323 I326A290-Y306 HydrophobicContact CB-CD1 3.74Å; A290-Y306 HydrophobicContact CB-CD2 3.81Å; A290-Y306 HydrophobicContact CB-CE1 3.47Å; A290-Y306 VanDerWaalsContact CB-CE1 3.47Å; A290-Y306 HydrophobicContact CB-CE2 3.53Å; A290-Y306 HydrophobicContact CB-CG 3.89Å; N291-Y306 PolarHBondContact OD1-OH 3.42Å; A302-Y306 HydrophobicContact CB-CE2 4.41Å; A302-Y306 WeakPolarHBondContact O-CD2 3.23Å; A302-Y306 PolarHBondContact O-N 3.38Å; E303-Y306 PolarHBondContact O-N 2.84Å; Y306-T308 PolarHBondContact O-N 2.88Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 2.75Å; Y306-L310 VanDerWaalsContact O-CG 3.3Å; Y306-L310 WeakPolarHBondContact O-CG 3.33Å; Y306-L310 PolarHBondContact O-N 2.71Å; Y306-N322 HydrophobicContact CD1-CB 4.47Å; Y306-N322 HydrophobicContact CE1-CB 3.61Å; Y306-N322 HydrophobicContact CE2-CB 4.25Å; Y306-N322 VanDerWaalsContact CZ-CB 3.49Å; Y306-N322 WeakPolarHBondContact OH-CB 3.27Å; Y306-L323 HydrophobicContact CD2-CB 4.34Å; Y306-L323 HydrophobicContact CD2-CD1 4.37Å; Y306-L323 HydrophobicContact CG-CB 4.24Å; Y306-I326 HydrophobicContact CD2-CD1 4.08Å; Y306-I326 HydrophobicContact CE2-CD1 3.64Å
307N95.2Very high94.1Very high57 Ų5749.8 Ų49.831%0.30529%0.288SS..Hα-helixtrans-61-34.6176.7-75.4-38.9000111.6E303 C305 R311E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 PolarHBondContact O-N 2.85Å; E303-N307 PolarHBondContact O-ND2 2.94Å; E303-N307 VanDerWaalsContact O-ND2 3.16Å; C305-N307 PolarHBondContact O-N 2.79Å; N307-R311 WeakPolarHBondContact O-CG 3.4Å; N307-R311 PolarHBondContact O-N 2.99Å
308T95.9Very high94.4Very high24 Ų2451.2 Ų51.215%0.14728%0.283CS..Hα-helixtrans-70.2-45.2174.6-56.60000111.6Y286 D304 C305 Y306 L310 R311 L312Y286-T308 HydrophobicContact CD1-CG2 3.92Å; Y286-T308 HydrophobicContact CD2-CG2 4.27Å; Y286-T308 HydrophobicContact CE1-CG2 3.59Å; Y286-T308 HydrophobicContact CE2-CG2 3.97Å; Y286-T308 HydrophobicContact CG-CG2 4.24Å; D304-T308 WeakPolarHBondContact O-CB 3.37Å; D304-T308 PolarHBondContact O-N 3.38Å; D304-T308 PolarHBondContact O-OG1 2.82Å; C305-T308 PolarHBondContact O-N 2.83Å; Y306-T308 PolarHBondContact O-N 2.88Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.86Å; T308-R311 PolarHBondContact O-N 2.98Å; T308-R311 VanDerWaalsContact O-N 3.14Å; T308-R311 PolarHBondContact OG1-NH2 3.35Å; T308-L312 HydrophobicContact CG2-CD1 4.31Å; T308-L312 WeakPolarHBondContact O-CG 3.33Å; T308-L312 PolarHBondContact O-N 3.14Å
309A95.4Very high94.4Very high0 Ų049.3 Ų49.30%027%0.27CS..Hα-helixtrans-54.6-43.9172.800000111.6P283 C305 Y306 L312 C313 S319P283-A309 HydrophobicContact CB-CB 4.48Å; C305-A309 PolarHBondContact O-N 3.44Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 2.75Å; A309-L312 PolarHBondContact O-N 2.79Å; A309-C313 PolarHBondContact O-N 3.43Å; A309-S319 WeakPolarHBondContact CB-OG 3.28Å
310L94.1Very high94.6Very high25 Ų2547 Ų4713%0.13126%0.256CS..Hα-helixtrans-73.3-26.6179.3-65.2174.4000114.1Y306 T308 C313 P314 H316 L320 L323Y306-L310 VanDerWaalsContact O-CG 3.3Å; Y306-L310 WeakPolarHBondContact O-CG 3.33Å; Y306-L310 PolarHBondContact O-N 2.71Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.86Å; L310-C313 CarbonylContact O-C 3.58Å; L310-P314 VanDerWaalsContact O-CA 3.25Å; L310-P314 WeakPolarHBondContact O-CA 3.44Å; L310-P314 WeakPolarHBondContact O-CG 3.36Å; L310-H316 HydrophobicContact CD2-CB 4.41Å; L310-L320 HydrophobicContact CD1-CD2 3.79Å; L310-L320 HydrophobicContact CD1-CG 4.42Å; L310-L320 HydrophobicContact CD2-CD2 3.72Å; L310-L320 HydrophobicContact CD2-CG 3.62Å; L310-L320 HydrophobicContact CG-CD2 4.41Å; L310-L323 HydrophobicContact CD1-CD2 3.77Å
311R95.7Very high94.7Very high187 Ų18744 Ų4471%0.70623%0.229SC*.Hα-helixtrans-69.2-37.2169.4-80.8-176-66.2-171.61111.7N307 T308N307-R311 WeakPolarHBondContact O-CG 3.4Å; N307-R311 PolarHBondContact O-N 2.99Å; T308-R311 PolarHBondContact O-N 2.98Å; T308-R311 VanDerWaalsContact O-N 3.14Å; T308-R311 PolarHBondContact OG1-NH2 3.35Å
312L94.6Very high94.7Very high49 Ų4941 Ų4126%0.25722%0.216SC..Hα-helixtrans-76-42.8178.6-61.6170.2000111.5P280 H281 P283 Y286 T308 A309P280-L312 WeakPolarHBondContact O-CD1 3.48Å; H281-L312 WeakPolarHBondContact ND1-CD2 3.31Å; P283-L312 HydrophobicContact CG-CB 3.95Å; Y286-L312 HydrophobicContact CD2-CD1 3.66Å; Y286-L312 HydrophobicContact CE2-CD1 3.55Å; T308-L312 HydrophobicContact CG2-CD1 4.31Å; T308-L312 WeakPolarHBondContact O-CG 3.33Å; T308-L312 PolarHBondContact O-N 3.14Å; A309-L312 PolarHBondContact O-N 2.79Å
313C93.7Very high94.7Very high36 Ų3641.2 Ų41.224%0.24322%0.218CC..  trans-13894178.8-175.10000110.2P283 A309 L310 T315 H316P283-C313 HydrophobicContact CB-CB 3.96Å; P283-C313 HydrophobicContact CG-CB 3.6Å; A309-C313 PolarHBondContact O-N 3.43Å; L310-C313 CarbonylContact O-C 3.58Å; C313-T315 PolarHBondContact O-N 2.92Å; C313-T315 PolarHBondContact SG-OG1 3.18Å; C313-T315 VanDerWaalsContact SG-OG1 3.39Å; C313-H316 HydrophobicContact CB-CB 4.21Å; C313-H316 WeakPolarHBondContact O-CB 3.12Å; C313-H316 PolarHBondContact O-N 2.88Å; C313-H316 VanDerWaalsContact O-N 3.08Å
314P92Very high94.7Very high74 Ų7439.5 Ų39.548%0.48121%0.21SC..THydrogen-bonded Turntrans-61.7-16.4-179.8-25.634.8000114.9L310L310-P314 VanDerWaalsContact O-CA 3.25Å; L310-P314 WeakPolarHBondContact O-CA 3.44Å; L310-P314 WeakPolarHBondContact O-CG 3.36Å
315T91.4Very high94.6Very high91 Ų9135.7 Ų35.756%0.55819%0.189SC*.THydrogen-bonded Turntrans-98.919.4178.656.90000112.5C313 A317 V346C313-T315 PolarHBondContact O-N 2.92Å; C313-T315 PolarHBondContact SG-OG1 3.18Å; C313-T315 VanDerWaalsContact SG-OG1 3.39Å; T315-A317 PolarHBondContact O-N 3.02Å; T315-V346 HydrophobicContact CG2-CG2 4.45Å; T315-V346 WeakPolarHBondContact O-CG1 3.48Å
316H92.5Very high94.4Very high24 Ų2435 Ų3511%0.11118%0.184CC..  trans-82.693.6176.6-166.8-98.6000110.9D284 L310 C313 D318 S319 L320D284-H316 IonicContact OD1-CD2 3.87Å; D284-H316 PolarHBondContact OD1-CD2 3.12Å; D284-H316 IonicContact OD1-NE2 3.09Å; D284-H316 PolarHBondContact OD1-NE2 3.11Å; D284-H316 VanDerWaalsContact OD1-NE2 3.08Å; L310-H316 HydrophobicContact CD2-CB 4.41Å; C313-H316 HydrophobicContact CB-CB 4.21Å; C313-H316 WeakPolarHBondContact O-CB 3.12Å; C313-H316 PolarHBondContact O-N 2.88Å; C313-H316 VanDerWaalsContact O-N 3.08Å; H316-D318 PolarHBondContact O-N 2.68Å; H316-S319 PolarHBondContact CE1-OG 3.07Å; H316-S319 WeakPolarHBondContact ND1-CB 3.23Å; H316-S319 PolarHBondContact ND1-N 3.31Å; H316-S319 PolarHBondContact ND1-OG 3.2Å; H316-S319 PolarHBondContact O-N 2.89Å; H316-L320 PolarHBondContact O-N 3.11Å
317A93.2Very high94.3Very high14 Ų1436.2 Ų36.212%0.11619%0.19CC..Hα-helixtrans-60.2-41.1-170.400000113.9T315 S319 L320 N321 V346 F347 F350T315-A317 PolarHBondContact O-N 3.02Å; A317-S319 VanDerWaalsContact C-N 3.34Å; A317-S319 PolarHBondContact O-N 2.53Å; A317-L320 WeakPolarHBondContact O-CB 3.4Å; A317-L320 PolarHBondContact O-N 2.75Å; A317-N321 PolarHBondContact O-N 3.06Å; A317-V346 HydrophobicContact CB-CG1 4.12Å; A317-F347 HydrophobicContact CB-CB 3.91Å; A317-F350 HydrophobicContact CB-CD1 4.23Å; A317-F350 HydrophobicContact CB-CE1 4.31Å
318D94Very high94Very high82 Ų8237.2 Ų37.244%0.43919%0.189SC..Hα-helixtrans-62.6-40.9179.9-72.4-26.3000112H316 N321 N322 F350H316-D318 PolarHBondContact O-N 2.68Å; D318-N321 PolarHBondContact O-N 3Å; D318-N322 WeakPolarHBondContact O-CB 3.26Å; D318-N322 VanDerWaalsContact O-CG 3.26Å; D318-N322 PolarHBondContact O-N 2.96Å; D318-F350 WeakPolarHBondContact OD1-CZ 3.26Å
319S95Very high93.6Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-66.6-37.7175.5-65.80000112.2C287 A309 H316 A317 L323C287-S319 VanDerWaalsContact CB-OG 3.27Å; C287-S319 WeakPolarHBondContact CB-OG 3.39Å; C287-S319 PolarHBondContact SG-OG 3.02Å; A309-S319 WeakPolarHBondContact CB-OG 3.28Å; H316-S319 PolarHBondContact CE1-OG 3.07Å; H316-S319 WeakPolarHBondContact ND1-CB 3.23Å; H316-S319 PolarHBondContact ND1-N 3.31Å; H316-S319 PolarHBondContact ND1-OG 3.2Å; H316-S319 PolarHBondContact O-N 2.89Å; A317-S319 VanDerWaalsContact C-N 3.34Å; A317-S319 PolarHBondContact O-N 2.53Å; S319-L323 WeakPolarHBondContact O-CB 3.49Å; S319-L323 PolarHBondContact O-N 3.2Å
320L96.5Very high93.2Very high4 Ų445 Ų452%0.02122%0.224CC..Hα-helixtrans-61.9-48.5174.7-71.6168.8000111.1L310 H316 A317 A324 L339 K342 A343 V346L310-L320 HydrophobicContact CD1-CD2 3.79Å; L310-L320 HydrophobicContact CD1-CG 4.42Å; L310-L320 HydrophobicContact CD2-CD2 3.72Å; L310-L320 HydrophobicContact CD2-CG 3.62Å; L310-L320 HydrophobicContact CG-CD2 4.41Å; H316-L320 PolarHBondContact O-N 3.11Å; A317-L320 WeakPolarHBondContact O-CB 3.4Å; A317-L320 PolarHBondContact O-N 2.75Å; L320-A324 VanDerWaalsContact O-CB 3.32Å; L320-A324 WeakPolarHBondContact O-CB 3.41Å; L320-A324 PolarHBondContact O-N 3.07Å; L320-L339 HydrophobicContact CD2-CD2 3.96Å; L320-K342 HydrophobicContact CD1-CB 4.33Å; L320-K342 HydrophobicContact CD1-CD 4.47Å; L320-K342 HydrophobicContact CD1-CG 3.99Å; L320-K342 HydrophobicContact CD2-CD 4.15Å; L320-K342 HydrophobicContact CD2-CG 4.41Å; L320-A343 HydrophobicContact CB-CB 3.69Å; L320-A343 HydrophobicContact CD1-CB 4.39Å; L320-V346 HydrophobicContact CD1-CG2 4.18Å
321N95.1Very high92.6Very high6 Ų646.1 Ų46.13%0.03224%0.241CC..Hα-helixtrans-64.8-44.5179.8174.377.4000112.3A317 D318 A324 N325 Y340 A343 F350 A353 N356A317-N321 PolarHBondContact O-N 3.06Å; D318-N321 PolarHBondContact O-N 3Å; N321-A324 WeakPolarHBondContact O-CB 3.49Å; N321-A324 PolarHBondContact O-N 3.23Å; N321-N325 VanDerWaalsContact O-CG 3.31Å; N321-N325 PolarHBondContact O-N 2.63Å; N321-Y340 WeakPolarHBondContact OD1-CE1 3.12Å; N321-A343 HydrophobicContact CB-CB 4.46Å; N321-F350 HydrophobicContact CB-CD1 4.39Å; N321-F350 HydrophobicContact CB-CE1 3.57Å; N321-F350 HydrophobicContact CB-CZ 4.02Å; N321-A353 HydrophobicContact CB-CB 4.45Å; N321-A353 WeakPolarHBondContact OD1-CA 3.23Å; N321-N356 PolarHBondContact OD1-ND2 3.36Å
322N94.8Very high92.2Very high31 Ų3140.7 Ų40.717%0.16623%0.226CC..Hα-helixtrans-73.3-34.6-177.2-66.7-8.2000112.2N291 Y306 D318 A324 N325 I326N291-N322 PolarHBondContact OD1-ND2 3.16Å; Y306-N322 HydrophobicContact CD1-CB 4.47Å; Y306-N322 HydrophobicContact CE1-CB 3.61Å; Y306-N322 HydrophobicContact CE2-CB 4.25Å; Y306-N322 VanDerWaalsContact CZ-CB 3.49Å; Y306-N322 WeakPolarHBondContact OH-CB 3.27Å; D318-N322 WeakPolarHBondContact O-CB 3.26Å; D318-N322 VanDerWaalsContact O-CG 3.26Å; D318-N322 PolarHBondContact O-N 2.96Å; N322-A324 VanDerWaalsContact C-N 3.34Å; N322-N325 WeakPolarHBondContact O-CB 3.18Å; N322-N325 PolarHBondContact O-N 3.23Å; N322-I326 PolarHBondContact O-N 2.81Å; N322-I326 VanDerWaalsContact O-N 3.15Å
323L96Very high91.9Very high5 Ų539.6 Ų39.63%0.02622%0.22CC..Hα-helixtrans-63.6-41.2169.5-178.360.5000111.2E303 Y306 L310 S319 N325 I326 K327 L339E303-L323 HydrophobicContact CG-CD1 3.5Å; E303-L323 VanDerWaalsContact CG-CD1 3.5Å; Y306-L323 HydrophobicContact CD2-CB 4.34Å; Y306-L323 HydrophobicContact CD2-CD1 4.37Å; Y306-L323 HydrophobicContact CG-CB 4.24Å; L310-L323 HydrophobicContact CD1-CD2 3.77Å; S319-L323 WeakPolarHBondContact O-CB 3.49Å; S319-L323 PolarHBondContact O-N 3.2Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 2.71Å; L323-I326 PolarHBondContact O-N 3.01Å; L323-K327 WeakPolarHBondContact O-CG 3.32Å; L323-K327 PolarHBondContact O-N 3.25Å; L323-L339 HydrophobicContact CB-CD1 4.38Å; L323-L339 HydrophobicContact CD2-CD1 3.99Å; L323-L339 HydrophobicContact CD2-CD2 4.28Å; L323-L339 HydrophobicContact CG-CD1 3.8Å
324A95.2Very high91.6Very high0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-59.9-40.4174.600000112L320 N321 N322 I326 K327 R328 A336 L339 Y340L320-A324 VanDerWaalsContact O-CB 3.32Å; L320-A324 WeakPolarHBondContact O-CB 3.41Å; L320-A324 PolarHBondContact O-N 3.07Å; N321-A324 WeakPolarHBondContact O-CB 3.49Å; N321-A324 PolarHBondContact O-N 3.23Å; N322-A324 VanDerWaalsContact C-N 3.34Å; A324-I326 VanDerWaalsContact C-N 3.34Å; A324-I326 PolarHBondContact O-N 2.96Å; A324-K327 PolarHBondContact O-N 2.82Å; A324-R328 WeakPolarHBondContact O-CB 3.26Å; A324-R328 PolarHBondContact O-N 3.28Å; A324-A336 WeakPolarHBondContact O-CB 3.01Å; A324-L339 HydrophobicContact CB-CB 3.61Å; A324-L339 HydrophobicContact CB-CD1 4.37Å; A324-Y340 HydrophobicContact CB-CD1 3.5Å; A324-Y340 VanDerWaalsContact CB-CD1 3.5Å; A324-Y340 HydrophobicContact CB-CD2 3.96Å; A324-Y340 HydrophobicContact CB-CE1 3.34Å; A324-Y340 HydrophobicContact CB-CE2 3.82Å; A324-Y340 HydrophobicContact CB-CG 3.79Å
325N93.7Very high91.6Very high23 Ų2343.4 Ų43.412%0.12323%0.228CC..Hα-helixtrans-59.1-44.1174.2-66.9-22.8000111.8N321 N322 L323 R328 E329 Y340 N356N321-N325 VanDerWaalsContact O-CG 3.31Å; N321-N325 PolarHBondContact O-N 2.63Å; N322-N325 WeakPolarHBondContact O-CB 3.18Å; N322-N325 PolarHBondContact O-N 3.23Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 2.71Å; N325-R328 WeakPolarHBondContact O-CB 3.36Å; N325-R328 PolarHBondContact O-N 2.73Å; N325-E329 WeakPolarHBondContact O-CG 3.4Å; N325-E329 PolarHBondContact O-N 3.46Å; N325-Y340 WeakPolarHBondContact CA-OH 3.41Å; N325-Y340 PolarHBondContact N-OH 3.28Å; N325-Y340 WeakPolarHBondContact OD1-CE1 3.36Å; N325-Y340 PolarHBondContact OD1-OH 3.11Å; N325-N356 PolarHBondContact OD1-ND2 3.02Å
326I92.7Very high91.7Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-64.1-45.4175.4-71.2-178000110.8K294 V299 A302 Y306 N322 L323 A324 R328 E329 Q330K294-I326 HydrophobicContact CD-CD1 4.38Å; K294-I326 HydrophobicContact CD-CG1 4.24Å; V299-I326 HydrophobicContact CG1-CD1 4.26Å; V299-I326 HydrophobicContact CG1-CG2 3.7Å; A302-I326 HydrophobicContact CB-CD1 4.15Å; Y306-I326 HydrophobicContact CD2-CD1 4.08Å; Y306-I326 HydrophobicContact CE2-CD1 3.64Å; N322-I326 PolarHBondContact O-N 2.81Å; N322-I326 VanDerWaalsContact O-N 3.15Å; L323-I326 PolarHBondContact O-N 3.01Å; A324-I326 VanDerWaalsContact C-N 3.34Å; A324-I326 PolarHBondContact O-N 2.96Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.99Å; I326-E329 PolarHBondContact O-N 3.05Å; I326-E329 VanDerWaalsContact O-N 3.12Å; I326-Q330 HydrophobicContact CG2-CG 4.24Å; I326-Q330 VanDerWaalsContact O-CG 3.32Å; I326-Q330 WeakPolarHBondContact O-CG 3.23Å; I326-Q330 PolarHBondContact O-N 2.59Å
327K93.2Very high91.7Very high28 Ų2838.5 Ų38.512%0.12220%0.2CC..Hα-helixtrans-61.1-37.5178.6-69.8-69.5166.3-155.90112.1E303 L323 A324 Q330 G331 N332 E335 A336 L339E303-K327 WeakPolarHBondContact OE1-CE 3.39Å; E303-K327 IonicContact OE1-NZ 3Å; E303-K327 PolarHBondContact OE1-NZ 3.37Å; E303-K327 IonicContact OE2-NZ 2.76Å; E303-K327 PolarHBondContact OE2-NZ 3.01Å; L323-K327 WeakPolarHBondContact O-CG 3.32Å; L323-K327 PolarHBondContact O-N 3.25Å; A324-K327 PolarHBondContact O-N 2.82Å; K327-Q330 VanDerWaalsContact NZ-OE1 3.09Å; K327-Q330 PolarHBondContact O-N 3.5Å; K327-G331 PolarHBondContact O-N 2.72Å; K327-N332 HydrophobicContact CB-CB 4.36Å; K327-N332 HydrophobicContact CD-CB 4.23Å; K327-N332 WeakPolarHBondContact O-CA 3.46Å; K327-N332 PolarHBondContact O-N 3.01Å; K327-E335 HydrophobicContact CD-CG 4.11Å; K327-E335 HydrophobicContact CG-CG 4.15Å; K327-A336 HydrophobicContact CB-CB 4.02Å; K327-L339 HydrophobicContact CG-CD1 3.92Å
328R89.6Confident91.8Very high78 Ų7845.4 Ų45.429%0.29422%0.223SC..Hα-helixtrans-62.9-48.1172.3-173.2-170.972.8147.2-0.2111.6A324 N325 I326 Q330 G331 A336 V360A324-R328 WeakPolarHBondContact O-CB 3.26Å; A324-R328 PolarHBondContact O-N 3.28Å; N325-R328 WeakPolarHBondContact O-CB 3.36Å; N325-R328 PolarHBondContact O-N 2.73Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.99Å; R328-Q330 PolarHBondContact O-N 2.88Å; R328-G331 PolarHBondContact O-N 2.92Å; R328-A336 HydrophobicContact CB-CB 4.02Å; R328-V360 VanDerWaalsContact CD-CG2 3.5Å; R328-V360 HydrophobicContact CG-CG2 3.96Å
329E86.1Confident91.9Very high110 Ų11042.2 Ų42.251%0.51421%0.206SC..Hα-helixtrans-62-31.9177.5-72.8166-163.200112.3K294 N325 I326 G331K294-E329 WeakPolarHBondContact CE-OE2 3.27Å; K294-E329 IonicContact NZ-OE1 3.14Å; K294-E329 PolarHBondContact NZ-OE1 3.38Å; K294-E329 IonicContact NZ-OE2 2.78Å; K294-E329 PolarHBondContact NZ-OE2 2.98Å; N325-E329 WeakPolarHBondContact O-CG 3.4Å; N325-E329 PolarHBondContact O-N 3.46Å; I326-E329 PolarHBondContact O-N 3.05Å; I326-E329 VanDerWaalsContact O-N 3.12Å; E329-G331 VanDerWaalsContact C-N 3.27Å; E329-G331 PolarHBondContact O-N 3.28Å
330Q87.1Confident92Very high79 Ų7942.2 Ų42.237%0.36921%0.206SC..THydrogen-bonded Turntrans-76.4-6.8173.3-69.3172.3-5.500113.8E303 I326 K327 R328 N332E303-Q330 PolarHBondContact OE2-NE2 3.49Å; I326-Q330 HydrophobicContact CG2-CG 4.24Å; I326-Q330 VanDerWaalsContact O-CG 3.32Å; I326-Q330 WeakPolarHBondContact O-CG 3.23Å; I326-Q330 PolarHBondContact O-N 2.59Å; K327-Q330 VanDerWaalsContact NZ-OE1 3.09Å; K327-Q330 PolarHBondContact O-N 3.5Å; R328-Q330 PolarHBondContact O-N 2.88Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact OE1-ND2 3.34Å
331G81.7Confident92Very high47 Ų4747.6 Ų47.649%0.48523%0.226SC..THydrogen-bonded Turntrans81.35.5-176.300000115.1K327 R328 E329 I333K327-G331 PolarHBondContact O-N 2.72Å; R328-G331 PolarHBondContact O-N 2.92Å; E329-G331 VanDerWaalsContact C-N 3.27Å; E329-G331 PolarHBondContact O-N 3.28Å; G331-I333 VanDerWaalsContact C-N 3.27Å; G331-I333 WeakPolarHBondContact O-CG1 3.33Å; G331-I333 PolarHBondContact O-N 3.27Å
332N88.8Confident92Very high73 Ų7352 Ų5239%0.3925%0.245SC..  trans-82.969.9176.8-64.9-40.5000110.2K327 Q330 E335 A336K327-N332 HydrophobicContact CB-CB 4.36Å; K327-N332 HydrophobicContact CD-CB 4.23Å; K327-N332 WeakPolarHBondContact O-CA 3.46Å; K327-N332 PolarHBondContact O-N 3.01Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact OE1-ND2 3.34Å; N332-E335 HydrophobicContact CB-CB 4.31Å; N332-E335 PolarHBondContact O-N 3.04Å; N332-A336 PolarHBondContact O-N 3.44Å
333I86.7Confident92.1Very high27 Ų2750.6 Ų50.614%0.13824%0.237CC..Hα-helixtrans-66-43.6-166.2-53.1-52.1000112.6G331 E335 A336 V337 V360 Q364G331-I333 VanDerWaalsContact C-N 3.27Å; G331-I333 WeakPolarHBondContact O-CG1 3.33Å; G331-I333 PolarHBondContact O-N 3.27Å; I333-E335 VanDerWaalsContact C-N 3.29Å; I333-E335 PolarHBondContact O-N 3.2Å; I333-A336 PolarHBondContact O-N 3.31Å; I333-V337 WeakPolarHBondContact O-CG2 2.91Å; I333-V337 PolarHBondContact O-N 2.9Å; I333-V360 HydrophobicContact CG2-CG1 3.38Å; I333-Q364 HydrophobicContact CG2-CG 4.41Å
334E87.7Confident92.1Very high134 Ų13451.1 Ų51.163%0.62624%0.24SC*.Hα-helixtrans-62.9-40.5-178.6-62.969.6-148.900111.1V337 R338E334-V337 PolarHBondContact O-N 3.41Å; E334-R338 PolarHBondContact O-N 2.71Å
335E92.1Very high92.1Very high55 Ų5558.6 Ų58.626%0.25727%0.274SS..Hα-helixtrans-67.1-43.5177.9-173.354.8-148.300111.3K327 N332 I333 V337 R338 L339K327-E335 HydrophobicContact CD-CG 4.11Å; K327-E335 HydrophobicContact CG-CG 4.15Å; N332-E335 HydrophobicContact CB-CB 4.31Å; N332-E335 PolarHBondContact O-N 3.04Å; I333-E335 VanDerWaalsContact C-N 3.29Å; I333-E335 PolarHBondContact O-N 3.2Å; E335-V337 PolarHBondContact O-N 2.86Å; E335-R338 PolarHBondContact O-N 2.78Å; E335-R338 IonicContact OE1-CZ 3.81Å; E335-R338 VanDerWaalsContact OE1-CZ 3.3Å; E335-R338 IonicContact OE1-NE 3.3Å; E335-R338 PolarHBondContact OE1-NE 2.95Å; E335-R338 IonicContact OE1-NH2 3.64Å; E335-R338 PolarHBondContact OE1-NH2 3.19Å; E335-R338 IonicContact OE2-CZ 3.36Å; E335-R338 IonicContact OE2-NE 2.79Å; E335-R338 PolarHBondContact OE2-NE 3.23Å; E335-R338 IonicContact OE2-NH1 3.82Å; E335-R338 IonicContact OE2-NH2 3.14Å; E335-R338 PolarHBondContact OE2-NH2 3.22Å; E335-L339 HydrophobicContact CG-CD1 4.23Å; E335-L339 WeakPolarHBondContact O-CG 3.37Å; E335-L339 PolarHBondContact O-N 3.35Å
336A93.6Very high92.2Very high0 Ų060 Ų600%028%0.284CS..Hα-helixtrans-58.4-46.6175.100000111.6A324 K327 R328 N332 I333 R338 L339 Y340A324-A336 WeakPolarHBondContact O-CB 3.01Å; K327-A336 HydrophobicContact CB-CB 4.02Å; R328-A336 HydrophobicContact CB-CB 4.02Å; N332-A336 PolarHBondContact O-N 3.44Å; I333-A336 PolarHBondContact O-N 3.31Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 3.08Å; A336-L339 PolarHBondContact O-N 3.03Å; A336-Y340 HydrophobicContact CB-CE2 4.13Å; A336-Y340 WeakPolarHBondContact O-CD2 3.33Å; A336-Y340 PolarHBondContact O-N 3.14Å
337V93.4Very high92.3Very high12 Ų1264.6 Ų64.67%0.07330%0.304CS..Hα-helixtrans-59.1-43.3177171.60000111.5I333 E334 E335 Y340 R341 L357 V360I333-V337 WeakPolarHBondContact O-CG2 2.91Å; I333-V337 PolarHBondContact O-N 2.9Å; E334-V337 PolarHBondContact O-N 3.41Å; E335-V337 PolarHBondContact O-N 2.86Å; V337-Y340 PolarHBondContact O-N 3.25Å; V337-R341 WeakPolarHBondContact O-CB 3.21Å; V337-R341 WeakPolarHBondContact O-CG 3.39Å; V337-R341 PolarHBondContact O-N 2.9Å; V337-L357 HydrophobicContact CG1-CD1 4Å; V337-L357 HydrophobicContact CG2-CD1 4.43Å; V337-V360 HydrophobicContact CG2-CB 4.27Å; V337-V360 HydrophobicContact CG2-CG1 3.44Å; V337-V360 VanDerWaalsContact CG2-CG1 3.44Å
338R95.2Very high92.3Very high160 Ų16067 Ų6760%0.60432%0.322SS*.Hα-helixtrans-61.3-44.5177.6-174177.870.4171.27.8111.6E334 E335 A336 R341 K342E334-R338 PolarHBondContact O-N 2.71Å; E335-R338 PolarHBondContact O-N 2.78Å; E335-R338 IonicContact OE1-CZ 3.81Å; E335-R338 VanDerWaalsContact OE1-CZ 3.3Å; E335-R338 IonicContact OE1-NE 3.3Å; E335-R338 PolarHBondContact OE1-NE 2.95Å; E335-R338 IonicContact OE1-NH2 3.64Å; E335-R338 PolarHBondContact OE1-NH2 3.19Å; E335-R338 IonicContact OE2-CZ 3.36Å; E335-R338 IonicContact OE2-NE 2.79Å; E335-R338 PolarHBondContact OE2-NE 3.23Å; E335-R338 IonicContact OE2-NH1 3.82Å; E335-R338 IonicContact OE2-NH2 3.14Å; E335-R338 PolarHBondContact OE2-NH2 3.22Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 3.08Å; R338-R341 PolarHBondContact O-N 3.09Å; R338-K342 WeakPolarHBondContact O-CB 3.19Å; R338-K342 PolarHBondContact O-N 3.09Å
339L96.1Very high92.6Very high15 Ų1567.3 Ų67.38%0.07933%0.327CS..Hα-helixtrans-66.8-42.5178.9-70.7169.7000112.3L320 L323 A324 K327 E335 A336 R341 K342 A343L320-L339 HydrophobicContact CD2-CD2 3.96Å; L323-L339 HydrophobicContact CB-CD1 4.38Å; L323-L339 HydrophobicContact CD2-CD1 3.99Å; L323-L339 HydrophobicContact CD2-CD2 4.28Å; L323-L339 HydrophobicContact CG-CD1 3.8Å; A324-L339 HydrophobicContact CB-CB 3.61Å; A324-L339 HydrophobicContact CB-CD1 4.37Å; K327-L339 HydrophobicContact CG-CD1 3.92Å; E335-L339 HydrophobicContact CG-CD1 4.23Å; E335-L339 WeakPolarHBondContact O-CG 3.37Å; E335-L339 PolarHBondContact O-N 3.35Å; A336-L339 PolarHBondContact O-N 3.03Å; L339-R341 PolarHBondContact O-N 2.99Å; L339-K342 PolarHBondContact O-N 3.48Å; L339-A343 PolarHBondContact O-N 3.14Å
340Y97Very high93Very high0 Ų063.3 Ų63.30%031%0.308CS..Hα-helixtrans-61.7-43.8174.4-69.6-55.6000112.2N321 A324 N325 A336 V337 K342 A343 L344 N356 L357 V360N321-Y340 WeakPolarHBondContact OD1-CE1 3.12Å; A324-Y340 HydrophobicContact CB-CD1 3.5Å; A324-Y340 VanDerWaalsContact CB-CD1 3.5Å; A324-Y340 HydrophobicContact CB-CD2 3.96Å; A324-Y340 HydrophobicContact CB-CE1 3.34Å; A324-Y340 HydrophobicContact CB-CE2 3.82Å; A324-Y340 HydrophobicContact CB-CG 3.79Å; N325-Y340 WeakPolarHBondContact CA-OH 3.41Å; N325-Y340 PolarHBondContact N-OH 3.28Å; N325-Y340 WeakPolarHBondContact OD1-CE1 3.36Å; N325-Y340 PolarHBondContact OD1-OH 3.11Å; A336-Y340 HydrophobicContact CB-CE2 4.13Å; A336-Y340 WeakPolarHBondContact O-CD2 3.33Å; A336-Y340 PolarHBondContact O-N 3.14Å; V337-Y340 PolarHBondContact O-N 3.25Å; Y340-K342 VanDerWaalsContact C-N 3.3Å; Y340-K342 PolarHBondContact O-N 2.99Å; Y340-A343 WeakPolarHBondContact O-CB 3.39Å; Y340-A343 PolarHBondContact O-N 3.38Å; Y340-L344 WeakPolarHBondContact O-CG 3.32Å; Y340-L344 PolarHBondContact O-N 3.19Å; Y340-N356 HydrophobicContact CD1-CB 4.09Å; Y340-N356 HydrophobicContact CE1-CB 3.44Å; Y340-N356 VanDerWaalsContact CE1-CB 3.44Å; Y340-N356 HydrophobicContact CE2-CB 4.3Å; Y340-L357 HydrophobicContact CG-CB 4.35Å; Y340-V360 HydrophobicContact CE2-CG2 4.04Å
341R96.2Very high93.4Very high117 Ų11760.1 Ų60.144%0.44230%0.296SS..Hα-helixtrans-61.6-40.9176.8-75.8-180173.9179.5-3.7111.5V337 R338 L339 L344 E345 L357 E369V337-R341 WeakPolarHBondContact O-CB 3.21Å; V337-R341 WeakPolarHBondContact O-CG 3.39Å; V337-R341 PolarHBondContact O-N 2.9Å; R338-R341 PolarHBondContact O-N 3.09Å; L339-R341 PolarHBondContact O-N 2.99Å; R341-L344 PolarHBondContact O-N 2.8Å; R341-E345 PolarHBondContact O-N 3.34Å; R341-L357 HydrophobicContact CG-CD1 4.49Å; R341-L357 HydrophobicContact CG-CD2 4.08Å; R341-E369 IonicContact CZ-OE1 3.58Å; R341-E369 IonicContact NH2-OE1 2.78Å; R341-E369 PolarHBondContact NH2-OE1 3.33Å
342K95.5Very high94Very high99 Ų9959.5 Ų59.543%0.4329%0.286SS..Hα-helixtrans-65.6-38.4174.9-165.5172.8-178.5179.80112.2L320 R338 L339 Y340 L344 E345 V346L320-K342 HydrophobicContact CD1-CB 4.33Å; L320-K342 HydrophobicContact CD1-CD 4.47Å; L320-K342 HydrophobicContact CD1-CG 3.99Å; L320-K342 HydrophobicContact CD2-CD 4.15Å; L320-K342 HydrophobicContact CD2-CG 4.41Å; R338-K342 WeakPolarHBondContact O-CB 3.19Å; R338-K342 PolarHBondContact O-N 3.09Å; L339-K342 PolarHBondContact O-N 3.48Å; Y340-K342 VanDerWaalsContact C-N 3.3Å; Y340-K342 PolarHBondContact O-N 2.99Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.49Å; K342-E345 PolarHBondContact O-N 3.09Å; K342-V346 VanDerWaalsContact O-CG2 3.31Å; K342-V346 WeakPolarHBondContact O-CG2 3.43Å; K342-V346 PolarHBondContact O-N 2.95Å; K342-V346 VanDerWaalsContact O-N 3.11Å
343A96.1Very high94.3Very high0 Ų056 Ų560%027%0.267CS..Hα-helixtrans-60.5-42.1174.400000111.5L320 N321 L339 Y340 V346 F347 A353L320-A343 HydrophobicContact CB-CB 3.69Å; L320-A343 HydrophobicContact CD1-CB 4.39Å; N321-A343 HydrophobicContact CB-CB 4.46Å; L339-A343 PolarHBondContact O-N 3.14Å; Y340-A343 WeakPolarHBondContact O-CB 3.39Å; Y340-A343 PolarHBondContact O-N 3.38Å; A343-V346 PolarHBondContact O-N 3.26Å; A343-F347 PolarHBondContact O-N 3.33Å; A343-A353 HydrophobicContact CB-CB 4.46Å
344L96.3Very high94.9Very high16 Ų1655.5 Ų55.58%0.08426%0.264CS..Hα-helixtrans-74.6-27.7178.5-69171.1000113.7Y340 R341 K342 V346 F347 P348 F350 A353 H354 L357Y340-L344 WeakPolarHBondContact O-CG 3.32Å; Y340-L344 PolarHBondContact O-N 3.19Å; R341-L344 PolarHBondContact O-N 2.8Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.49Å; L344-V346 VanDerWaalsContact C-N 3.33Å; L344-F347 CarbonylContact O-C 3.56Å; L344-P348 VanDerWaalsContact O-CA 3.28Å; L344-P348 WeakPolarHBondContact O-CA 3.46Å; L344-P348 WeakPolarHBondContact O-CG 3.38Å; L344-F350 HydrophobicContact CD2-CB 4.15Å; L344-A353 HydrophobicContact CD2-CB 3.77Å; L344-A353 HydrophobicContact CG-CB 3.99Å; L344-H354 WeakPolarHBondContact CD1-ND1 3.36Å; L344-H354 HydrophobicContact CD2-CB 4.49Å; L344-L357 HydrophobicContact CD1-CD2 3.68Å
345E95.5Very high95.3Very high157 Ų15749.3 Ų49.373%0.73424%0.235SC*.Hα-helixtrans-66.2-39.7170.4-175.5-179.9-173.100111R341 K342R341-E345 PolarHBondContact O-N 3.34Å; K342-E345 PolarHBondContact O-N 3.09Å
346V94.9Very high95.4Very high53 Ų5348.2 Ų48.232%0.32123%0.232SC..Hα-helixtrans-73.2-45.4177.91700000111.7T315 A317 L320 K342 A343 L344T315-V346 HydrophobicContact CG2-CG2 4.45Å; T315-V346 WeakPolarHBondContact O-CG1 3.48Å; A317-V346 HydrophobicContact CB-CG1 4.12Å; L320-V346 HydrophobicContact CD1-CG2 4.18Å; K342-V346 VanDerWaalsContact O-CG2 3.31Å; K342-V346 WeakPolarHBondContact O-CG2 3.43Å; K342-V346 PolarHBondContact O-N 2.95Å; K342-V346 VanDerWaalsContact O-N 3.11Å; A343-V346 PolarHBondContact O-N 3.26Å; L344-V346 VanDerWaalsContact C-N 3.33Å
347F94.9Very high95.6Very high97 Ų9748.2 Ų48.243%0.42523%0.232SC..  trans-134.691.7179.9-176.6-136.3000110.8A317 A343 L344 E349 F350A317-F347 HydrophobicContact CB-CB 3.91Å; A343-F347 PolarHBondContact O-N 3.33Å; L344-F347 CarbonylContact O-C 3.56Å; F347-E349 VanDerWaalsContact C-N 3.27Å; F347-E349 HydrophobicContact CD2-CB 4.48Å; F347-E349 HydrophobicContact CE2-CB 3.74Å; F347-E349 HydrophobicContact CZ-CB 3.78Å; F347-E349 PolarHBondContact O-N 3.13Å; F347-F350 HydrophobicContact CD1-CB 3.53Å; F347-F350 HydrophobicContact CD1-CD1 4.25Å; F347-F350 AromaticContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CE1-CB 4.03Å; F347-F350 HydrophobicContact CE1-CG 4.38Å; F347-F350 HydrophobicContact CG-CB 4.29Å; F347-F350 WeakPolarHBondContact O-CB 3.31Å; F347-F350 PolarHBondContact O-N 3.48Å
348P95.1Very high95.7Very high77 Ų7747.7 Ų47.750%0.523%0.228SC..THydrogen-bonded Turntrans-61.3-30.4-178.3-27.735.9000114.5L344 F350 H354L344-P348 VanDerWaalsContact O-CA 3.28Å; L344-P348 WeakPolarHBondContact O-CA 3.46Å; L344-P348 WeakPolarHBondContact O-CG 3.38Å; P348-F350 PolarHBondContact O-N 3.08Å; P348-F350 VanDerWaalsContact O-N 3.11Å; P348-H354 PolarHBondContact O-NE2 2.92Å; P348-H354 VanDerWaalsContact O-NE2 3.11Å
349E94.8Very high95.6Very high85 Ų8541.5 Ų41.540%0.39721%0.209SC..THydrogen-bonded Turntrans-83.125.6179.9-60.1-73.5115.600112.6F347 A351 R379 I380F347-E349 VanDerWaalsContact C-N 3.27Å; F347-E349 HydrophobicContact CD2-CB 4.48Å; F347-E349 HydrophobicContact CE2-CB 3.74Å; F347-E349 HydrophobicContact CZ-CB 3.78Å; F347-E349 PolarHBondContact O-N 3.13Å; E349-A351 PolarHBondContact O-N 2.83Å; E349-R379 IonicContact OE1-CZ 2.66Å; E349-R379 IonicContact OE1-NH1 3.4Å; E349-R379 IonicContact OE1-NH2 2.69Å; E349-R379 PolarHBondContact OE1-NH2 3.02Å; E349-R379 IonicContact OE2-NH1 3.04Å; E349-R379 IonicContact OE2-NH2 3.42Å; E349-I380 HydrophobicContact CB-CG2 4.28Å; E349-I380 WeakPolarHBondContact O-CG2 3.46Å
350F95.3Very high95.3Very high26 Ų2640.8 Ų40.811%0.11421%0.206CC..  trans-89.384.3179.8-158.5174.4000112.3A317 D318 N321 L344 F347 P348 A352 A353 H354A317-F350 HydrophobicContact CB-CD1 4.23Å; A317-F350 HydrophobicContact CB-CE1 4.31Å; D318-F350 WeakPolarHBondContact OD1-CZ 3.26Å; N321-F350 HydrophobicContact CB-CD1 4.39Å; N321-F350 HydrophobicContact CB-CE1 3.57Å; N321-F350 HydrophobicContact CB-CZ 4.02Å; L344-F350 HydrophobicContact CD2-CB 4.15Å; F347-F350 HydrophobicContact CD1-CB 3.53Å; F347-F350 HydrophobicContact CD1-CD1 4.25Å; F347-F350 AromaticContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CD1-CG 3.91Å; F347-F350 HydrophobicContact CE1-CB 4.03Å; F347-F350 HydrophobicContact CE1-CG 4.38Å; F347-F350 HydrophobicContact CG-CB 4.29Å; F347-F350 WeakPolarHBondContact O-CB 3.31Å; F347-F350 PolarHBondContact O-N 3.48Å; P348-F350 PolarHBondContact O-N 3.08Å; P348-F350 VanDerWaalsContact O-N 3.11Å; F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 HydrophobicContact CD2-CB 4.15Å; F350-A352 HydrophobicContact CE2-CB 3.83Å; F350-A352 PolarHBondContact O-N 3.3Å; F350-A353 HydrophobicContact CB-CB 4Å; F350-A353 HydrophobicContact CD1-CB 3.71Å; F350-A353 HydrophobicContact CD2-CB 4.44Å; F350-A353 HydrophobicContact CE1-CB 4.33Å; F350-A353 HydrophobicContact CG-CB 3.78Å; F350-A353 PolarHBondContact O-N 2.91Å; F350-A353 VanDerWaalsContact O-N 3.09Å; F350-H354 PolarHBondContact O-N 2.75Å; F350-H354 VanDerWaalsContact O-N 3.08Å
351A95.2Very high94.9Very high13 Ų1340.8 Ų40.811%0.10721%0.206CC..Hα-helixtrans-53.9-40-176.200000114.4E349 H354 S355 A377 I380 F384E349-A351 PolarHBondContact O-N 2.83Å; A351-H354 PolarHBondContact O-N 2.78Å; A351-S355 PolarHBondContact O-N 2.97Å; A351-A377 HydrophobicContact CB-CB 4.41Å; A351-A377 WeakPolarHBondContact O-CB 3.22Å; A351-I380 HydrophobicContact CB-CB 4.21Å; A351-I380 HydrophobicContact CB-CG2 4.01Å; A351-F384 HydrophobicContact CB-CD1 4.4Å
352A94.1Very high94.5Very high34 Ų3436.9 Ų36.928%0.28119%0.192SC..Hα-helixtrans-64.8-43.4178.300000112.1F350 H354 S355 N356F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 HydrophobicContact CD2-CB 4.15Å; F350-A352 HydrophobicContact CE2-CB 3.83Å; F350-A352 PolarHBondContact O-N 3.3Å; A352-H354 VanDerWaalsContact C-N 3.34Å; A352-H354 PolarHBondContact O-N 3.49Å; A352-S355 PolarHBondContact O-N 3.36Å; A352-N356 WeakPolarHBondContact O-CB 3.31Å; A352-N356 PolarHBondContact O-N 3.22Å; A352-N356 PolarHBondContact O-ND2 3.43Å; A352-N356 VanDerWaalsContact O-ND2 3.17Å
353A95.5Very high93.9Very high0 Ų038.5 Ų38.50%020%0.201CC..Hα-helixtrans-64.8-38.5177.300000111.9N321 A343 L344 F350 N356 L357N321-A353 HydrophobicContact CB-CB 4.45Å; N321-A353 WeakPolarHBondContact OD1-CA 3.23Å; A343-A353 HydrophobicContact CB-CB 4.46Å; L344-A353 HydrophobicContact CD2-CB 3.77Å; L344-A353 HydrophobicContact CG-CB 3.99Å; F350-A353 HydrophobicContact CB-CB 4Å; F350-A353 HydrophobicContact CD1-CB 3.71Å; F350-A353 HydrophobicContact CD2-CB 4.44Å; F350-A353 HydrophobicContact CE1-CB 4.33Å; F350-A353 HydrophobicContact CG-CB 3.78Å; F350-A353 PolarHBondContact O-N 2.91Å; F350-A353 VanDerWaalsContact O-N 3.09Å; A353-N356 PolarHBondContact O-N 3.03Å; A353-L357 VanDerWaalsContact O-CB 3.26Å; A353-L357 WeakPolarHBondContact O-CB 3.5Å; A353-L357 PolarHBondContact O-N 3.11Å
354H97.8Very high93.1Very high16 Ų1640.9 Ų40.97%0.07421%0.213CC..Hα-helixtrans-60-48.2171.9-85.6-53.8000112.4L344 P348 F350 A351 A352 L357 A358 H373 A377L344-H354 WeakPolarHBondContact CD1-ND1 3.36Å; L344-H354 HydrophobicContact CD2-CB 4.49Å; P348-H354 PolarHBondContact O-NE2 2.92Å; P348-H354 VanDerWaalsContact O-NE2 3.11Å; F350-H354 PolarHBondContact O-N 2.75Å; F350-H354 VanDerWaalsContact O-N 3.08Å; A351-H354 PolarHBondContact O-N 2.78Å; A352-H354 VanDerWaalsContact C-N 3.34Å; A352-H354 PolarHBondContact O-N 3.49Å; H354-L357 PolarHBondContact O-N 3.27Å; H354-A358 VanDerWaalsContact O-CB 3.32Å; H354-A358 WeakPolarHBondContact O-CB 3.29Å; H354-A358 PolarHBondContact O-N 2.86Å; H354-H373 AromaticContact CE1-ND1 3.5Å; H354-H373 PolarHBondContact CE1-ND1 3.3Å; H354-H373 AromaticContact ND1-CE1 3.79Å; H354-H373 AromaticContact ND1-CG 3.9Å; H354-H373 AromaticContact ND1-ND1 2.96Å; H354-H373 PolarHBondContact ND1-ND1 2.89Å; H354-A377 HydrophobicContact CB-CB 3.83Å
355S96.6Very high92.3Very high3 Ų342.4 Ų42.42%0.02123%0.232CC..Hα-helixtrans-63.7-42.1179-173.70000112.4A351 A352 A358 S359A351-S355 PolarHBondContact O-N 2.97Å; A352-S355 PolarHBondContact O-N 3.36Å; S355-A358 PolarHBondContact O-N 3.1Å; S355-S359 PolarHBondContact O-N 2.57Å
356N95Very high91.9Very high33 Ų3339.2 Ų39.218%0.17622%0.216CC..Hα-helixtrans-66.5-44.1178-69.9-28.8000111.9N321 N325 Y340 A352 A353 A358 S359 V360N321-N356 PolarHBondContact OD1-ND2 3.36Å; N325-N356 PolarHBondContact OD1-ND2 3.02Å; Y340-N356 HydrophobicContact CD1-CB 4.09Å; Y340-N356 HydrophobicContact CE1-CB 3.44Å; Y340-N356 VanDerWaalsContact CE1-CB 3.44Å; Y340-N356 HydrophobicContact CE2-CB 4.3Å; A352-N356 WeakPolarHBondContact O-CB 3.31Å; A352-N356 PolarHBondContact O-N 3.22Å; A352-N356 PolarHBondContact O-ND2 3.43Å; A352-N356 VanDerWaalsContact O-ND2 3.17Å; A353-N356 PolarHBondContact O-N 3.03Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-A358 PolarHBondContact O-N 3.42Å; N356-S359 WeakPolarHBondContact O-CB 3.46Å; N356-S359 PolarHBondContact O-N 2.89Å; N356-V360 PolarHBondContact O-N 2.6Å; N356-V360 VanDerWaalsContact O-N 3.17Å
357L96.4Very high91.6Very high0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-59.8-46174.2177.257.7000110.9V337 Y340 R341 L344 A353 H354 S359 V360 L361V337-L357 HydrophobicContact CG1-CD1 4Å; V337-L357 HydrophobicContact CG2-CD1 4.43Å; Y340-L357 HydrophobicContact CG-CB 4.35Å; R341-L357 HydrophobicContact CG-CD1 4.49Å; R341-L357 HydrophobicContact CG-CD2 4.08Å; L344-L357 HydrophobicContact CD1-CD2 3.68Å; A353-L357 VanDerWaalsContact O-CB 3.26Å; A353-L357 WeakPolarHBondContact O-CB 3.5Å; A353-L357 PolarHBondContact O-N 3.11Å; H354-L357 PolarHBondContact O-N 3.27Å; L357-S359 VanDerWaalsContact C-N 3.29Å; L357-S359 PolarHBondContact O-N 3.49Å; L357-V360 PolarHBondContact O-N 2.72Å; L357-L361 HydrophobicContact CD1-CD1 4.12Å; L357-L361 HydrophobicContact CD1-CG 4.09Å; L357-L361 HydrophobicContact CG-CD1 3.85Å; L357-L361 HydrophobicContact CG-CG 4.31Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.3Å; L357-L361 PolarHBondContact O-N 2.74Å
358A96Very high91.5Very high0 Ų040.1 Ų40.10%022%0.218CC..Hα-helixtrans-58.7-40.9177.600000112.2H354 S355 N356 V360 L361 Q362 A370 H373 Y374H354-A358 VanDerWaalsContact O-CB 3.32Å; H354-A358 WeakPolarHBondContact O-CB 3.29Å; H354-A358 PolarHBondContact O-N 2.86Å; S355-A358 PolarHBondContact O-N 3.1Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-A358 PolarHBondContact O-N 3.42Å; A358-V360 VanDerWaalsContact C-N 3.34Å; A358-V360 PolarHBondContact O-N 2.83Å; A358-L361 PolarHBondContact O-N 2.67Å; A358-Q362 WeakPolarHBondContact O-CB 3.46Å; A358-Q362 PolarHBondContact O-N 3.31Å; A358-A370 HydrophobicContact CB-CB 4.28Å; A358-A370 WeakPolarHBondContact CB-O 3.27Å; A358-A370 VanDerWaalsContact O-CB 3.32Å; A358-A370 WeakPolarHBondContact O-CB 3.26Å; A358-H373 HydrophobicContact CB-CB 3.82Å; A358-Y374 HydrophobicContact CB-CD1 3.76Å; A358-Y374 HydrophobicContact CB-CD2 3.73Å; A358-Y374 HydrophobicContact CB-CE1 3.52Å; A358-Y374 HydrophobicContact CB-CE2 3.51Å; A358-Y374 HydrophobicContact CB-CG 3.83Å
359S92.4Very high91.5Very high30 Ų3039.3 Ų39.321%0.2121%0.208CC..Hα-helixtrans-61.6-41.5176.8177.20000112.1S355 N356 L357 Q362 Q363 Y374S355-S359 PolarHBondContact O-N 2.57Å; N356-S359 WeakPolarHBondContact O-CB 3.46Å; N356-S359 PolarHBondContact O-N 2.89Å; L357-S359 VanDerWaalsContact C-N 3.29Å; L357-S359 PolarHBondContact O-N 3.49Å; S359-Q362 WeakPolarHBondContact O-CB 3.39Å; S359-Q362 PolarHBondContact O-N 2.85Å; S359-Q363 PolarHBondContact O-N 3.49Å; S359-Q363 VanDerWaalsContact O-N 3.1Å; S359-Y374 WeakPolarHBondContact CA-OH 3.34Å; S359-Y374 PolarHBondContact N-OH 3.22Å
360V89.9Confident91.5Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-70.7-39.1176.8179.30000111.6R328 I333 V337 Y340 N356 L357 A358 Q362 Q363 Q364R328-V360 VanDerWaalsContact CD-CG2 3.5Å; R328-V360 HydrophobicContact CG-CG2 3.96Å; I333-V360 HydrophobicContact CG2-CG1 3.38Å; V337-V360 HydrophobicContact CG2-CB 4.27Å; V337-V360 HydrophobicContact CG2-CG1 3.44Å; V337-V360 VanDerWaalsContact CG2-CG1 3.44Å; Y340-V360 HydrophobicContact CE2-CG2 4.04Å; N356-V360 PolarHBondContact O-N 2.6Å; N356-V360 VanDerWaalsContact O-N 3.17Å; L357-V360 PolarHBondContact O-N 2.72Å; A358-V360 VanDerWaalsContact C-N 3.34Å; A358-V360 PolarHBondContact O-N 2.83Å; V360-Q362 VanDerWaalsContact C-N 3.3Å; V360-Q362 PolarHBondContact O-N 3.32Å; V360-Q363 WeakPolarHBondContact O-CB 3.46Å; V360-Q363 PolarHBondContact O-N 2.86Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.32Å
361L90.1Very high91.6Very high0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-63.1-38.6175-70.7170.2000111.7L357 A358 Q364 G365 K366 E369 A370L357-L361 HydrophobicContact CD1-CD1 4.12Å; L357-L361 HydrophobicContact CD1-CG 4.09Å; L357-L361 HydrophobicContact CG-CD1 3.85Å; L357-L361 HydrophobicContact CG-CG 4.31Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.3Å; L357-L361 PolarHBondContact O-N 2.74Å; A358-L361 PolarHBondContact O-N 2.67Å; L361-Q364 CarbonylContact O-C 3.16Å; L361-Q364 PolarHBondContact O-N 3.37Å; L361-G365 PolarHBondContact O-N 3.32Å; L361-K366 HydrophobicContact CB-CB 4.25Å; L361-K366 HydrophobicContact CD2-CB 4.2Å; L361-K366 HydrophobicContact CD2-CD 3.67Å; L361-K366 PolarHBondContact O-N 3.24Å; L361-E369 HydrophobicContact CD1-CB 4.07Å; L361-E369 HydrophobicContact CD1-CG 3.72Å; L361-A370 HydrophobicContact CB-CB 3.98Å
362Q87.8Confident91.7Very high35 Ų3539.2 Ų39.216%0.16421%0.207CC..Hα-helixtrans-59.8-48.2172.4-171-161.6-800110.6A358 S359 V360 Q364 G365 L367 A370 T394 E397A358-Q362 WeakPolarHBondContact O-CB 3.46Å; A358-Q362 PolarHBondContact O-N 3.31Å; S359-Q362 WeakPolarHBondContact O-CB 3.39Å; S359-Q362 PolarHBondContact O-N 2.85Å; V360-Q362 VanDerWaalsContact C-N 3.3Å; V360-Q362 PolarHBondContact O-N 3.32Å; Q362-Q364 PolarHBondContact O-N 3.41Å; Q362-G365 WeakPolarHBondContact O-CA 3.49Å; Q362-G365 PolarHBondContact O-N 2.83Å; Q362-L367 HydrophobicContact CG-CD2 3.92Å; Q362-A370 HydrophobicContact CB-CB 4.31Å; Q362-T394 HydrophobicContact CG-CG2 4.47Å; Q362-E397 PolarHBondContact NE2-OE2 3.15Å
363Q81.7Confident91.8Very high133 Ų13338.7 Ų38.762%0.62120%0.199SC*.Hα-helixtrans-59.1-32.6176.7-171.3-178.93.300112.6S359 V360 G365S359-Q363 PolarHBondContact O-N 3.49Å; S359-Q363 VanDerWaalsContact O-N 3.1Å; V360-Q363 WeakPolarHBondContact O-CB 3.46Å; V360-Q363 PolarHBondContact O-N 2.86Å; Q363-G365 VanDerWaalsContact C-N 3.26Å; Q363-G365 PolarHBondContact O-N 3.21Å
364Q80.2Confident92Very high51 Ų5138.7 Ų38.724%0.23820%0.199CC..THydrogen-bonded Turntrans-79.7-0.1173.5-68-175.2-1400114I333 V360 L361 Q362 K366I333-Q364 HydrophobicContact CG2-CG 4.41Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.32Å; L361-Q364 CarbonylContact O-C 3.16Å; L361-Q364 PolarHBondContact O-N 3.37Å; Q362-Q364 PolarHBondContact O-N 3.41Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-K366 HydrophobicContact CB-CD 4.49Å; Q364-K366 HydrophobicContact CB-CG 4.47Å; Q364-K366 PolarHBondContact O-N 3.02Å
365G78.7Confident91.9Very high47 Ų4744 Ų4449%0.48522%0.222SC..THydrogen-bonded Turntrans74.610.4-176.700000114.8L361 Q362 Q363 L367L361-G365 PolarHBondContact O-N 3.32Å; Q362-G365 WeakPolarHBondContact O-CA 3.49Å; Q362-G365 PolarHBondContact O-N 2.83Å; Q363-G365 VanDerWaalsContact C-N 3.26Å; Q363-G365 PolarHBondContact O-N 3.21Å; G365-L367 PolarHBondContact O-N 3.45Å
366K86.4Confident92Very high91 Ų9146.9 Ų46.940%0.39624%0.235SC..  trans-84.659.5177.3-66173.8-176.8159.40110.9L361 Q364 Q368 E369 A370L361-K366 HydrophobicContact CB-CB 4.25Å; L361-K366 HydrophobicContact CD2-CB 4.2Å; L361-K366 HydrophobicContact CD2-CD 3.67Å; L361-K366 PolarHBondContact O-N 3.24Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-K366 HydrophobicContact CB-CD 4.49Å; Q364-K366 HydrophobicContact CB-CG 4.47Å; Q364-K366 PolarHBondContact O-N 3.02Å; K366-Q368 PolarHBondContact O-N 2.89Å; K366-E369 HydrophobicContact CB-CB 4.39Å; K366-E369 PolarHBondContact O-N 3.43Å; K366-A370 PolarHBondContact O-N 2.66Å
367L90.3Very high92.1Very high31 Ų3145.3 Ų45.316%0.16223%0.227CC..Hα-helixtrans-60.9-38.8-166.7-51.5-179.8000113.4Q362 G365 A370 L371 T394 E397 M398Q362-L367 HydrophobicContact CG-CD2 3.92Å; G365-L367 PolarHBondContact O-N 3.45Å; L367-A370 WeakPolarHBondContact O-CB 3.23Å; L367-A370 PolarHBondContact O-N 3.05Å; L367-L371 WeakPolarHBondContact O-CG 3.12Å; L367-L371 PolarHBondContact O-N 3.29Å; L367-T394 HydrophobicContact CB-CG2 4.03Å; L367-T394 HydrophobicContact CD2-CG2 4.23Å; L367-E397 HydrophobicContact CD1-CB 4.32Å; L367-E397 HydrophobicContact CD1-CG 3.91Å; L367-E397 HydrophobicContact CD2-CG 4.34Å; L367-M398 HydrophobicContact CB-CG 3.78Å; L367-M398 HydrophobicContact CB-SD 3.64Å; L367-M398 HydrophobicContact CD1-CG 3.53Å; L367-M398 HydrophobicContact CG-CG 4.27Å
368Q92.5Very high92.1Very high137 Ų13746.3 Ų46.364%0.6423%0.232SC*.Hα-helixtrans-67.1-40.6179-67.1-67.2-10.900112.7K366 A370 L371 M372K366-Q368 PolarHBondContact O-N 2.89Å; Q368-A370 VanDerWaalsContact C-N 3.35Å; Q368-L371 PolarHBondContact O-N 3.35Å; Q368-M372 PolarHBondContact O-N 3.28Å
369E93.9Very high92.2Very high61 Ų6152.6 Ų52.629%0.28526%0.255SS..Hα-helixtrans-67.9-39176.7-162.3-176.5167.100110.2R341 L361 K366 M372 H373R341-E369 IonicContact CZ-OE1 3.58Å; R341-E369 IonicContact NH2-OE1 2.78Å; R341-E369 PolarHBondContact NH2-OE1 3.33Å; L361-E369 HydrophobicContact CD1-CB 4.07Å; L361-E369 HydrophobicContact CD1-CG 3.72Å; K366-E369 HydrophobicContact CB-CB 4.39Å; K366-E369 PolarHBondContact O-N 3.43Å; E369-M372 PolarHBondContact O-N 3Å; E369-H373 PolarHBondContact O-CD2 3.07Å; E369-H373 PolarHBondContact O-N 2.91Å
370A96Very high92.4Very high0 Ų053.1 Ų53.10%026%0.255CS..Hα-helixtrans-59.7-46.7173.500000112.1A358 L361 Q362 K366 L367 Q368 M372 H373 Y374 T394A358-A370 HydrophobicContact CB-CB 4.28Å; A358-A370 WeakPolarHBondContact CB-O 3.27Å; A358-A370 VanDerWaalsContact O-CB 3.32Å; A358-A370 WeakPolarHBondContact O-CB 3.26Å; L361-A370 HydrophobicContact CB-CB 3.98Å; Q362-A370 HydrophobicContact CB-CB 4.31Å; K366-A370 PolarHBondContact O-N 2.66Å; L367-A370 WeakPolarHBondContact O-CB 3.23Å; L367-A370 PolarHBondContact O-N 3.05Å; Q368-A370 VanDerWaalsContact C-N 3.35Å; A370-M372 VanDerWaalsContact C-N 3.31Å; A370-M372 PolarHBondContact O-N 3.03Å; A370-H373 PolarHBondContact O-N 3.09Å; A370-Y374 HydrophobicContact CB-CE2 4.37Å; A370-Y374 VanDerWaalsContact O-CD2 3.25Å; A370-Y374 WeakPolarHBondContact O-CD2 3.27Å; A370-Y374 PolarHBondContact O-N 2.96Å; A370-T394 HydrophobicContact CB-CG2 4.31Å
371L96.7Very high92.7Very high10 Ų1054.8 Ų54.85%0.05227%0.267CS..Hα-helixtrans-59.4-40176.8-74.3-176.9000113L367 Q368 H373 Y374 K375 M391 T394 L395 M398L367-L371 WeakPolarHBondContact O-CG 3.12Å; L367-L371 PolarHBondContact O-N 3.29Å; Q368-L371 PolarHBondContact O-N 3.35Å; L371-H373 VanDerWaalsContact C-N 3.35Å; L371-Y374 PolarHBondContact O-N 3.28Å; L371-K375 WeakPolarHBondContact O-CB 3.47Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.25Å; L371-K375 PolarHBondContact O-N 3.49Å; L371-M391 HydrophobicContact CD2-CG 3.7Å; L371-T394 HydrophobicContact CD2-CG2 3.79Å; L371-T394 HydrophobicContact CG-CG2 3.88Å; L371-L395 HydrophobicContact CD1-CD2 3.74Å; L371-L395 HydrophobicContact CD2-CD2 3.69Å; L371-L395 HydrophobicContact CD2-CG 3.81Å; L371-L395 HydrophobicContact CG-CD2 4.38Å; L371-M398 HydrophobicContact CD1-CE 3.7Å; L371-M398 HydrophobicContact CD1-SD 3.42Å; L371-M398 WeakPolarHBondContact CD1-SD 3.49Å; L371-M398 HydrophobicContact CG-SD 4.07Å
372M97Very high93Very high112 Ų11258 Ų5855%0.55229%0.288SS*.Hα-helixtrans-60-47.2177-175.5-172.673.500110.8Q368 E369 A370 K375 E376Q368-M372 PolarHBondContact O-N 3.28Å; E369-M372 PolarHBondContact O-N 3Å; A370-M372 VanDerWaalsContact C-N 3.31Å; A370-M372 PolarHBondContact O-N 3.03Å; M372-K375 PolarHBondContact O-N 3.46Å; M372-E376 PolarHBondContact O-N 3.24Å
373H97.6Very high93.3Very high22 Ų2261.3 Ų61.310%0.10231%0.311CS..Hα-helixtrans-69.2-34.9179.1-76.9-57.8000113.5H354 A358 E369 A370 L371 E376 A377H354-H373 AromaticContact CE1-ND1 3.5Å; H354-H373 PolarHBondContact CE1-ND1 3.3Å; H354-H373 AromaticContact ND1-CE1 3.79Å; H354-H373 AromaticContact ND1-CG 3.9Å; H354-H373 AromaticContact ND1-ND1 2.96Å; H354-H373 PolarHBondContact ND1-ND1 2.89Å; A358-H373 HydrophobicContact CB-CB 3.82Å; E369-H373 PolarHBondContact O-CD2 3.07Å; E369-H373 PolarHBondContact O-N 2.91Å; A370-H373 PolarHBondContact O-N 3.09Å; L371-H373 VanDerWaalsContact C-N 3.35Å; H373-E376 PolarHBondContact O-N 3.37Å; H373-A377 PolarHBondContact O-N 3.32Å
374Y98Very high93.9Very high0 Ų057.3 Ų57.30%029%0.291CS..Hα-helixtrans-63.8-43.6171.8-75.9-51.7000112.4A358 S359 A370 L371 E376 A377 I378 A387 N390 M391 T394A358-Y374 HydrophobicContact CB-CD1 3.76Å; A358-Y374 HydrophobicContact CB-CD2 3.73Å; A358-Y374 HydrophobicContact CB-CE1 3.52Å; A358-Y374 HydrophobicContact CB-CE2 3.51Å; A358-Y374 HydrophobicContact CB-CG 3.83Å; S359-Y374 WeakPolarHBondContact CA-OH 3.34Å; S359-Y374 PolarHBondContact N-OH 3.22Å; A370-Y374 HydrophobicContact CB-CE2 4.37Å; A370-Y374 VanDerWaalsContact O-CD2 3.25Å; A370-Y374 WeakPolarHBondContact O-CD2 3.27Å; A370-Y374 PolarHBondContact O-N 2.96Å; L371-Y374 PolarHBondContact O-N 3.28Å; Y374-E376 PolarHBondContact O-N 3Å; Y374-A377 PolarHBondContact O-N 3.44Å; Y374-I378 WeakPolarHBondContact O-CB 3.11Å; Y374-I378 WeakPolarHBondContact O-CD1 3.5Å; Y374-I378 VanDerWaalsContact O-CG1 3.25Å; Y374-I378 WeakPolarHBondContact O-CG1 3.31Å; Y374-I378 PolarHBondContact O-N 3.5Å; Y374-A387 HydrophobicContact CD1-CB 4.38Å; Y374-N390 HydrophobicContact CE1-CB 3.6Å; Y374-N390 HydrophobicContact CE2-CB 4.27Å; Y374-N390 VanDerWaalsContact CZ-CB 3.47Å; Y374-N390 WeakPolarHBondContact OH-CB 3.22Å; Y374-M391 HydrophobicContact CD2-CB 3.96Å; Y374-M391 HydrophobicContact CD2-CG 4.3Å; Y374-M391 HydrophobicContact CG-CB 3.87Å; Y374-M391 HydrophobicContact CG-CG 4.34Å; Y374-T394 WeakPolarHBondContact CE2-OG1 3.42Å
375K97.4Very high94.6Very high129 Ų12955.2 Ų55.256%0.56128%0.283SS*.Hα-helixtrans-59.9-38.8175.4-73.9173.3-179.7178.10111.5L371 M372 I378 R379 M391L371-K375 WeakPolarHBondContact O-CB 3.47Å; L371-K375 VanDerWaalsContact O-CG 3.31Å; L371-K375 WeakPolarHBondContact O-CG 3.25Å; L371-K375 PolarHBondContact O-N 3.49Å; M372-K375 PolarHBondContact O-N 3.46Å; K375-I378 PolarHBondContact O-N 3.46Å; K375-R379 WeakPolarHBondContact O-CB 3.12Å; K375-R379 PolarHBondContact O-N 3.3Å; K375-M391 HydrophobicContact CG-SD 4.02Å
376E97.4Very high95.3Very high63 Ų6356.4 Ų56.429%0.29428%0.278SS..Hα-helixtrans-68.5-45.1177.4-161.360.2-164.700112.2M372 H373 Y374 I378 R379 I380M372-E376 PolarHBondContact O-N 3.24Å; H373-E376 PolarHBondContact O-N 3.37Å; Y374-E376 PolarHBondContact O-N 3Å; E376-I378 PolarHBondContact O-N 3.33Å; E376-R379 WeakPolarHBondContact O-CB 3.37Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 VanDerWaalsContact O-N 3.1Å; E376-R379 IonicContact OE1-CZ 2.61Å; E376-R379 IonicContact OE1-NE 3.99Å; E376-R379 PolarHBondContact OE1-NE 2.83Å; E376-R379 IonicContact OE1-NH2 3.47Å; E376-R379 PolarHBondContact OE1-NH2 3.32Å; E376-R379 IonicContact OE2-NE 3.46Å; E376-R379 PolarHBondContact OE2-NE 2.93Å; E376-I380 HydrophobicContact CG-CD1 4.15Å; E376-I380 WeakPolarHBondContact O-CD1 3.47Å; E376-I380 VanDerWaalsContact O-CG1 3.28Å; E376-I380 WeakPolarHBondContact O-CG1 3.37Å; E376-I380 PolarHBondContact O-N 3.35Å
377A97.3Very high95.7Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-56-40173.100000112.1A351 H354 H373 Y374 S381 A387A351-A377 HydrophobicContact CB-CB 4.41Å; A351-A377 WeakPolarHBondContact O-CB 3.22Å; H354-A377 HydrophobicContact CB-CB 3.83Å; H373-A377 PolarHBondContact O-N 3.32Å; Y374-A377 PolarHBondContact O-N 3.44Å; A377-S381 PolarHBondContact O-N 3.34Å; A377-A387 HydrophobicContact CB-CB 4.37Å
378I97.2Very high96.1Very high20 Ų2052.3 Ų52.310%0.10326%0.258CS..Hα-helixtrans-72-36.5177.6-69.4163.8000111.8Y374 K375 E376 I380 S381 P382 A387 Y388 M391Y374-I378 WeakPolarHBondContact O-CB 3.11Å; Y374-I378 WeakPolarHBondContact O-CD1 3.5Å; Y374-I378 VanDerWaalsContact O-CG1 3.25Å; Y374-I378 WeakPolarHBondContact O-CG1 3.31Å; Y374-I378 PolarHBondContact O-N 3.5Å; K375-I378 PolarHBondContact O-N 3.46Å; E376-I378 PolarHBondContact O-N 3.33Å; I378-I380 VanDerWaalsContact C-N 3.31Å; I378-S381 CarbonylContact O-C 3.51Å; I378-S381 VanDerWaalsContact O-C 3.26Å; I378-P382 VanDerWaalsContact O-CA 3.27Å; I378-P382 WeakPolarHBondContact O-CA 3.46Å; I378-P382 VanDerWaalsContact O-N 3.12Å; I378-A387 HydrophobicContact CD1-CB 4.45Å; I378-A387 HydrophobicContact CG1-CB 3.95Å; I378-Y388 HydrophobicContact CD1-CD1 3.88Å; I378-Y388 HydrophobicContact CD1-CD2 4.14Å; I378-Y388 HydrophobicContact CD1-CE1 3.9Å; I378-Y388 HydrophobicContact CD1-CE2 4.15Å; I378-Y388 HydrophobicContact CD1-CG 4.02Å; I378-Y388 HydrophobicContact CG1-CD2 4.14Å; I378-Y388 HydrophobicContact CG1-CE2 3.95Å; I378-Y388 HydrophobicContact CG2-CE1 4.19Å; I378-Y388 HydrophobicContact CG2-CE2 3.79Å; I378-Y388 VanDerWaalsContact CG2-CZ 3.47Å; I378-Y388 WeakPolarHBondContact CG2-OH 3.4Å; I378-M391 HydrophobicContact CD1-CE 3.6Å; I378-M391 HydrophobicContact CD1-SD 3.88Å
379R97.6Very high96.3Very high132 Ų13245.9 Ų45.950%0.49823%0.229SC..Hα-helixtrans-61.1-43.9174.9-172.8-167.266.669.1-4.6110.7E349 K375 E376E349-R379 IonicContact OE1-CZ 2.66Å; E349-R379 IonicContact OE1-NH1 3.4Å; E349-R379 IonicContact OE1-NH2 2.69Å; E349-R379 PolarHBondContact OE1-NH2 3.02Å; E349-R379 IonicContact OE2-NH1 3.04Å; E349-R379 IonicContact OE2-NH2 3.42Å; K375-R379 WeakPolarHBondContact O-CB 3.12Å; K375-R379 PolarHBondContact O-N 3.3Å; E376-R379 WeakPolarHBondContact O-CB 3.37Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 VanDerWaalsContact O-N 3.1Å; E376-R379 IonicContact OE1-CZ 2.61Å; E376-R379 IonicContact OE1-NE 3.99Å; E376-R379 PolarHBondContact OE1-NE 2.83Å; E376-R379 IonicContact OE1-NH2 3.47Å; E376-R379 PolarHBondContact OE1-NH2 3.32Å; E376-R379 IonicContact OE2-NE 3.46Å; E376-R379 PolarHBondContact OE2-NE 2.93Å
380I96.7Very high96.3Very high41 Ų4145.2 Ų45.221%0.2123%0.227CC..Hα-helixtrans-71.2-46.9179.4-62.4159.2000110.6E349 A351 E376 I378E349-I380 HydrophobicContact CB-CG2 4.28Å; E349-I380 WeakPolarHBondContact O-CG2 3.46Å; A351-I380 HydrophobicContact CB-CB 4.21Å; A351-I380 HydrophobicContact CB-CG2 4.01Å; E376-I380 HydrophobicContact CG-CD1 4.15Å; E376-I380 WeakPolarHBondContact O-CD1 3.47Å; E376-I380 VanDerWaalsContact O-CG1 3.28Å; E376-I380 WeakPolarHBondContact O-CG1 3.37Å; E376-I380 PolarHBondContact O-N 3.35Å; I378-I380 VanDerWaalsContact C-N 3.31Å
381S95.6Very high96.4Very high36 Ų3646.1 Ų46.125%0.25223%0.232SC..  trans-129.288.5-178.4-171.70000111.6A377 I378 T383 F384A377-S381 PolarHBondContact O-N 3.34Å; I378-S381 CarbonylContact O-C 3.51Å; I378-S381 VanDerWaalsContact O-C 3.26Å; S381-T383 PolarHBondContact O-N 3.39Å; S381-T383 VanDerWaalsContact O-N 3.09Å; S381-F384 WeakPolarHBondContact O-CB 3.2Å; S381-F384 PolarHBondContact O-N 2.88Å; S381-F384 VanDerWaalsContact O-N 3.08Å
382P96.4Very high96.4Very high68 Ų6845.7 Ų45.744%0.44223%0.229SC..THydrogen-bonded Turntrans-65.3-13.6-177-24.735000115.1I378 I414I378-P382 VanDerWaalsContact O-CA 3.27Å; I378-P382 WeakPolarHBondContact O-CA 3.46Å; I378-P382 VanDerWaalsContact O-N 3.12Å; P382-I414 WeakPolarHBondContact O-CD1 3.41Å
383T95.3Very high96.2Very high103 Ų10342.2 Ų42.263%0.63221%0.213SC*.THydrogen-bonded Turntrans-978.717851.70000112.7S381 A385 I414S381-T383 PolarHBondContact O-N 3.39Å; S381-T383 VanDerWaalsContact O-N 3.09Å; T383-A385 PolarHBondContact O-N 3.05Å; T383-I414 VanDerWaalsContact O-CG2 3.23Å; T383-I414 WeakPolarHBondContact O-CG2 3.17Å
384F94Very high96Very high49 Ų4941.1 Ų41.122%0.21521%0.208CC..  trans-8285.5179.4-165.3-170.1000111.9A351 S381 D386 A387A351-F384 HydrophobicContact CB-CD1 4.4Å; S381-F384 WeakPolarHBondContact O-CB 3.2Å; S381-F384 PolarHBondContact O-N 2.88Å; S381-F384 VanDerWaalsContact O-N 3.08Å; F384-D386 VanDerWaalsContact C-N 3.31Å; F384-D386 HydrophobicContact CD2-CB 4.17Å; F384-D386 HydrophobicContact CE2-CB 3.74Å; F384-D386 HydrophobicContact CZ-CB 4.4Å; F384-D386 PolarHBondContact O-N 3.32Å; F384-A387 HydrophobicContact CB-CB 4.26Å; F384-A387 HydrophobicContact CD1-CB 3.74Å; F384-A387 HydrophobicContact CE1-CB 4.28Å; F384-A387 HydrophobicContact CG-CB 3.99Å; F384-A387 WeakPolarHBondContact O-CB 3.33Å; F384-A387 PolarHBondContact O-N 3.15Å
385A95.3Very high95.9Very high8 Ų842 Ų427%0.06621%0.212CC..Hα-helixtrans-58.2-37.4-175.100000114T383 A387 Y388 S389 A411 I414 N415 F418T383-A385 PolarHBondContact O-N 3.05Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 3.2Å; A385-Y388 WeakPolarHBondContact O-CB 3.39Å; A385-Y388 PolarHBondContact O-N 2.88Å; A385-S389 PolarHBondContact O-N 3.17Å; A385-A411 HydrophobicContact CB-CB 4.49Å; A385-I414 HydrophobicContact CB-CB 4.22Å; A385-I414 HydrophobicContact CB-CG2 3.98Å; A385-N415 HydrophobicContact CB-CB 4.12Å; A385-F418 HydrophobicContact CB-CD1 4.2Å
386D92.6Very high95.6Very high71 Ų7139 Ų3938%0.3820%0.199SC..Hα-helixtrans-62.7-37.4179.4-60.2-28.6000112.2F384 Y388 S389 N390 F418F384-D386 VanDerWaalsContact C-N 3.31Å; F384-D386 HydrophobicContact CD2-CB 4.17Å; F384-D386 HydrophobicContact CE2-CB 3.74Å; F384-D386 HydrophobicContact CZ-CB 4.4Å; F384-D386 PolarHBondContact O-N 3.32Å; D386-Y388 VanDerWaalsContact C-N 3.34Å; D386-Y388 PolarHBondContact O-N 2.87Å; D386-S389 PolarHBondContact O-N 3.21Å; D386-N390 WeakPolarHBondContact O-CB 3.42Å; D386-N390 VanDerWaalsContact O-CG 3.32Å; D386-N390 PolarHBondContact O-N 3.29Å; D386-N390 PolarHBondContact O-ND2 3.29Å; D386-F418 VanDerWaalsContact OD1-CE1 3.26Å; D386-F418 WeakPolarHBondContact OD1-CE1 3.4Å; D386-F418 WeakPolarHBondContact OD1-CZ 3.31Å
387A95.5Very high95.1Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-63.1-41.1176.400000111.3Y374 A377 I378 F384 A385 M391Y374-A387 HydrophobicContact CD1-CB 4.38Å; A377-A387 HydrophobicContact CB-CB 4.37Å; I378-A387 HydrophobicContact CD1-CB 4.45Å; I378-A387 HydrophobicContact CG1-CB 3.95Å; F384-A387 HydrophobicContact CB-CB 4.26Å; F384-A387 HydrophobicContact CD1-CB 3.74Å; F384-A387 HydrophobicContact CE1-CB 4.28Å; F384-A387 HydrophobicContact CG-CB 3.99Å; F384-A387 WeakPolarHBondContact O-CB 3.33Å; F384-A387 PolarHBondContact O-N 3.15Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 3.2Å; A387-M391 WeakPolarHBondContact O-CB 3.48Å; A387-M391 PolarHBondContact O-N 2.97Å
388Y97.8Very high94.7Very high37 Ų3743.1 Ų43.115%0.14522%0.219CC..Hα-helixtrans-63.6-46.4173.1-80-81.1000112I378 A385 D386 N390 M391 G392 C407 R410 I414I378-Y388 HydrophobicContact CD1-CD1 3.88Å; I378-Y388 HydrophobicContact CD1-CD2 4.14Å; I378-Y388 HydrophobicContact CD1-CE1 3.9Å; I378-Y388 HydrophobicContact CD1-CE2 4.15Å; I378-Y388 HydrophobicContact CD1-CG 4.02Å; I378-Y388 HydrophobicContact CG1-CD2 4.14Å; I378-Y388 HydrophobicContact CG1-CE2 3.95Å; I378-Y388 HydrophobicContact CG2-CE1 4.19Å; I378-Y388 HydrophobicContact CG2-CE2 3.79Å; I378-Y388 VanDerWaalsContact CG2-CZ 3.47Å; I378-Y388 WeakPolarHBondContact CG2-OH 3.4Å; A385-Y388 WeakPolarHBondContact O-CB 3.39Å; A385-Y388 PolarHBondContact O-N 2.88Å; D386-Y388 VanDerWaalsContact C-N 3.34Å; D386-Y388 PolarHBondContact O-N 2.87Å; Y388-N390 PolarHBondContact O-N 2.84Å; Y388-M391 HydrophobicContact CD1-CE 4.2Å; Y388-M391 HydrophobicContact CE1-CE 4.49Å; Y388-M391 PolarHBondContact O-N 3.16Å; Y388-G392 PolarHBondContact O-N 3.23Å; Y388-C407 WeakPolarHBondContact O-CB 3.48Å; Y388-R410 HydrophobicContact CD1-CB 3.95Å; Y388-R410 HydrophobicContact CD1-CG 3.81Å; Y388-R410 HydrophobicContact CD2-CG 4.18Å; Y388-R410 HydrophobicContact CE1-CB 4.04Å; Y388-R410 HydrophobicContact CE1-CG 3.51Å; Y388-R410 HydrophobicContact CE2-CG 3.91Å; Y388-R410 HydrophobicContact CG-CB 4.36Å; Y388-R410 HydrophobicContact CG-CG 4.12Å; Y388-I414 HydrophobicContact CD2-CD1 3.76Å; Y388-I414 HydrophobicContact CE2-CD1 3.68Å
389S96.2Very high94.3Very high2 Ų248.6 Ų48.61%0.01424%0.244CC..Hα-helixtrans-60.5-46.7179.6-172.10000111.8A385 D386 G392 N393 Y408 N424A385-S389 PolarHBondContact O-N 3.17Å; D386-S389 PolarHBondContact O-N 3.21Å; S389-G392 WeakPolarHBondContact O-CA 3.45Å; S389-G392 PolarHBondContact O-N 3.13Å; S389-N393 PolarHBondContact O-N 3.11Å; S389-N393 PolarHBondContact O-OD1 3.38Å; S389-Y408 WeakPolarHBondContact O-CE1 3.49Å; S389-N424 PolarHBondContact OG-ND2 3.3Å
390N94.7Very high94Very high47 Ų4745.6 Ų45.625%0.25124%0.238SC..Hα-helixtrans-69.7-35.8179.4-65.8-26000112.7Y374 D386 Y388 G392 N393 T394Y374-N390 HydrophobicContact CE1-CB 3.6Å; Y374-N390 HydrophobicContact CE2-CB 4.27Å; Y374-N390 VanDerWaalsContact CZ-CB 3.47Å; Y374-N390 WeakPolarHBondContact OH-CB 3.22Å; D386-N390 WeakPolarHBondContact O-CB 3.42Å; D386-N390 VanDerWaalsContact O-CG 3.32Å; D386-N390 PolarHBondContact O-N 3.29Å; D386-N390 PolarHBondContact O-ND2 3.29Å; Y388-N390 PolarHBondContact O-N 2.84Å; N390-G392 VanDerWaalsContact C-N 3.3Å; N390-G392 PolarHBondContact O-N 3.26Å; N390-N393 WeakPolarHBondContact O-CB 3.22Å; N390-N393 PolarHBondContact O-N 2.95Å; N390-T394 PolarHBondContact O-N 3.28Å; N390-T394 PolarHBondContact O-OG1 3.33Å
391M97.4Very high93.9Very high19 Ų1946.5 Ų46.59%0.09425%0.246CC..Hα-helixtrans-60.5-42.4169.9-170.5168.972.700111L371 Y374 K375 I378 A387 Y388 N393 T394 L395 C407L371-M391 HydrophobicContact CD2-CG 3.7Å; Y374-M391 HydrophobicContact CD2-CB 3.96Å; Y374-M391 HydrophobicContact CD2-CG 4.3Å; Y374-M391 HydrophobicContact CG-CB 3.87Å; Y374-M391 HydrophobicContact CG-CG 4.34Å; K375-M391 HydrophobicContact CG-SD 4.02Å; I378-M391 HydrophobicContact CD1-CE 3.6Å; I378-M391 HydrophobicContact CD1-SD 3.88Å; A387-M391 WeakPolarHBondContact O-CB 3.48Å; A387-M391 PolarHBondContact O-N 2.97Å; Y388-M391 HydrophobicContact CD1-CE 4.2Å; Y388-M391 HydrophobicContact CE1-CE 4.49Å; Y388-M391 PolarHBondContact O-N 3.16Å; M391-N393 VanDerWaalsContact C-N 3.31Å; M391-N393 PolarHBondContact O-N 3.16Å; M391-T394 WeakPolarHBondContact O-CB 3.34Å; M391-T394 PolarHBondContact O-N 2.87Å; M391-L395 HydrophobicContact CG-CD1 4.28Å; M391-L395 WeakPolarHBondContact O-CG 3.35Å; M391-L395 PolarHBondContact O-N 2.88Å; M391-C407 WeakPolarHBondContact CE-SG 3.41Å
392G96.4Very high93.8Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-58.5-40.8174.400000112.7Y388 S389 N390 T394 L395 K396 A404 Y408Y388-G392 PolarHBondContact O-N 3.23Å; S389-G392 WeakPolarHBondContact O-CA 3.45Å; S389-G392 PolarHBondContact O-N 3.13Å; N390-G392 VanDerWaalsContact C-N 3.3Å; N390-G392 PolarHBondContact O-N 3.26Å; G392-T394 PolarHBondContact O-N 3.23Å; G392-L395 PolarHBondContact O-N 2.94Å; G392-K396 WeakPolarHBondContact O-CB 3.39Å; G392-K396 PolarHBondContact O-N 2.85Å; G392-A404 WeakPolarHBondContact O-CB 3.38Å; G392-Y408 PolarHBondContact O-OH 2.97Å
393N93.6Very high93.7Very high39 Ų3948.7 Ų48.721%0.20925%0.248CC..Hα-helixtrans-63.3-41.7175.6-63.4-20.8000112S389 N390 M391 K396 E397 Y408 N424S389-N393 PolarHBondContact O-N 3.11Å; S389-N393 PolarHBondContact O-OD1 3.38Å; N390-N393 WeakPolarHBondContact O-CB 3.22Å; N390-N393 PolarHBondContact O-N 2.95Å; M391-N393 VanDerWaalsContact C-N 3.31Å; M391-N393 PolarHBondContact O-N 3.16Å; N393-K396 PolarHBondContact O-N 3.1Å; N393-E397 PolarHBondContact O-N 3.21Å; N393-Y408 WeakPolarHBondContact CA-OH 3.24Å; N393-Y408 PolarHBondContact N-OH 3.28Å; N393-Y408 WeakPolarHBondContact OD1-CE1 3.23Å; N393-Y408 PolarHBondContact OD1-OH 3.29Å; N393-N424 PolarHBondContact OD1-ND2 3.17Å
394T94.4Very high93.8Very high0 Ų043.8 Ų43.80%022%0.218CC..Hα-helixtrans-64.6-42.7176.3-56.30000111.1Q362 L367 A370 L371 Y374 N390 M391 G392 E397 M398Q362-T394 HydrophobicContact CG-CG2 4.47Å; L367-T394 HydrophobicContact CB-CG2 4.03Å; L367-T394 HydrophobicContact CD2-CG2 4.23Å; A370-T394 HydrophobicContact CB-CG2 4.31Å; L371-T394 HydrophobicContact CD2-CG2 3.79Å; L371-T394 HydrophobicContact CG-CG2 3.88Å; Y374-T394 WeakPolarHBondContact CE2-OG1 3.42Å; N390-T394 PolarHBondContact O-N 3.28Å; N390-T394 PolarHBondContact O-OG1 3.33Å; M391-T394 WeakPolarHBondContact O-CB 3.34Å; M391-T394 PolarHBondContact O-N 2.87Å; G392-T394 PolarHBondContact O-N 3.23Å; T394-E397 WeakPolarHBondContact O-CB 3.45Å; T394-E397 PolarHBondContact O-N 3.12Å; T394-M398 HydrophobicContact CG2-SD 4.3Å; T394-M398 WeakPolarHBondContact O-CG 3.37Å; T394-M398 PolarHBondContact O-N 3.03Å
395L95Very high93.9Very high17 Ų1744.4 Ų44.49%0.08922%0.223CC..Hα-helixtrans-64.4-40.8176.4-69.6171.7000111.9L371 M391 G392 E397 M398 Q399 D400 G403 A404 C407L371-L395 HydrophobicContact CD1-CD2 3.74Å; L371-L395 HydrophobicContact CD2-CD2 3.69Å; L371-L395 HydrophobicContact CD2-CG 3.81Å; L371-L395 HydrophobicContact CG-CD2 4.38Å; M391-L395 HydrophobicContact CG-CD1 4.28Å; M391-L395 WeakPolarHBondContact O-CG 3.35Å; M391-L395 PolarHBondContact O-N 2.88Å; G392-L395 PolarHBondContact O-N 2.94Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 2.96Å; L395-M398 CarbonylContact O-C 3.22Å; L395-M398 WeakPolarHBondContact O-CA 3.36Å; L395-M398 PolarHBondContact O-N 3.49Å; L395-M398 VanDerWaalsContact O-N 3.15Å; L395-Q399 PolarHBondContact O-N 2.67Å; L395-Q399 VanDerWaalsContact O-N 3.08Å; L395-D400 HydrophobicContact CB-CB 4.22Å; L395-D400 HydrophobicContact CD2-CB 4.14Å; L395-D400 PolarHBondContact O-N 2.81Å; L395-G403 VanDerWaalsContact CD1-C 3.46Å; L395-A404 HydrophobicContact CB-CB 4.1Å; L395-C407 VanDerWaalsContact CD1-SG 3.54Å
396K91.2Very high93.9Very high66 Ų6649.7 Ų49.729%0.28725%0.247SC..Hα-helixtrans-58.8-43.4173.4-176.9-174.5178.8-171.90111.4G392 N393 M398 Q399 A404 S427 I428 D431G392-K396 WeakPolarHBondContact O-CB 3.39Å; G392-K396 PolarHBondContact O-N 2.85Å; N393-K396 PolarHBondContact O-N 3.1Å; K396-M398 VanDerWaalsContact C-N 3.28Å; K396-M398 PolarHBondContact O-N 3.47Å; K396-Q399 WeakPolarHBondContact O-CA 3.47Å; K396-Q399 PolarHBondContact O-N 2.56Å; K396-A404 HydrophobicContact CB-CB 4.2Å; K396-S427 PolarHBondContact NZ-OG 2.68Å; K396-I428 HydrophobicContact CB-CD1 4.26Å; K396-I428 HydrophobicContact CD-CD1 3.8Å; K396-I428 HydrophobicContact CG-CD1 3.79Å; K396-D431 IonicContact NZ-OD2 2.82Å
397E86.4Confident94.1Very high90 Ų9046.7 Ų46.742%0.42123%0.231SC..Hα-helixtrans-63.6-35.9176.7-168.4172.8172.500112.1Q362 L367 N393 T394 L395 Q399Q362-E397 PolarHBondContact NE2-OE2 3.15Å; L367-E397 HydrophobicContact CD1-CB 4.32Å; L367-E397 HydrophobicContact CD1-CG 3.91Å; L367-E397 HydrophobicContact CD2-CG 4.34Å; N393-E397 PolarHBondContact O-N 3.21Å; T394-E397 WeakPolarHBondContact O-CB 3.45Å; T394-E397 PolarHBondContact O-N 3.12Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 2.96Å; E397-Q399 PolarHBondContact O-N 3.26Å
398M89.2Confident94.2Very high60 Ų6046.7 Ų46.730%0.29623%0.231SC..THydrogen-bonded Turntrans-77.12.2172-66.4176.350.600114.3L367 L371 T394 L395 K396 D400L367-M398 HydrophobicContact CB-CG 3.78Å; L367-M398 HydrophobicContact CB-SD 3.64Å; L367-M398 HydrophobicContact CD1-CG 3.53Å; L367-M398 HydrophobicContact CG-CG 4.27Å; L371-M398 HydrophobicContact CD1-CE 3.7Å; L371-M398 HydrophobicContact CD1-SD 3.42Å; L371-M398 WeakPolarHBondContact CD1-SD 3.49Å; L371-M398 HydrophobicContact CG-SD 4.07Å; T394-M398 HydrophobicContact CG2-SD 4.3Å; T394-M398 WeakPolarHBondContact O-CG 3.37Å; T394-M398 PolarHBondContact O-N 3.03Å; L395-M398 CarbonylContact O-C 3.22Å; L395-M398 WeakPolarHBondContact O-CA 3.36Å; L395-M398 PolarHBondContact O-N 3.49Å; L395-M398 VanDerWaalsContact O-N 3.15Å; K396-M398 VanDerWaalsContact C-N 3.28Å; K396-M398 PolarHBondContact O-N 3.47Å; M398-D400 PolarHBondContact O-N 2.92Å
399Q88.2Confident94.1Very high135 Ų13548.2 Ų48.263%0.63124%0.244SC*.THydrogen-bonded Turntrans63.916.8-175.4-49.8-63.7-27.400115L395 K396 E397 V401L395-Q399 PolarHBondContact O-N 2.67Å; L395-Q399 VanDerWaalsContact O-N 3.08Å; K396-Q399 WeakPolarHBondContact O-CA 3.47Å; K396-Q399 PolarHBondContact O-N 2.56Å; E397-Q399 PolarHBondContact O-N 3.26Å; Q399-V401 VanDerWaalsContact C-N 3.31Å; Q399-V401 PolarHBondContact O-N 3.33Å
400D92.8Very high94.2Very high70 Ų7052.3 Ų52.337%0.37426%0.259SS..  trans-82.678.7168.9-176.94.9000110.2L395 M398 Q402 G403 A404L395-D400 HydrophobicContact CB-CB 4.22Å; L395-D400 HydrophobicContact CD2-CB 4.14Å; L395-D400 PolarHBondContact O-N 2.81Å; M398-D400 PolarHBondContact O-N 2.92Å; D400-Q402 VanDerWaalsContact C-N 3.31Å; D400-Q402 PolarHBondContact O-N 3.22Å; D400-Q402 PolarHBondContact OD1-N 3.11Å; D400-G403 PolarHBondContact O-N 3.22Å; D400-G403 PolarHBondContact OD1-N 3.49Å; D400-A404 WeakPolarHBondContact O-CB 3.21Å; D400-A404 PolarHBondContact O-N 3.21Å
401V93Very high94.3Very high60 Ų6050 Ų5036%0.36425%0.247SC..Hα-helixtrans-62.6-38.7-178.1-179.60000111.6Q399 A404 L405 I428Q399-V401 VanDerWaalsContact C-N 3.31Å; Q399-V401 PolarHBondContact O-N 3.33Å; V401-A404 PolarHBondContact O-N 2.95Å; V401-L405 WeakPolarHBondContact O-CB 3.47Å; V401-L405 PolarHBondContact O-N 3.2Å; V401-I428 HydrophobicContact CG1-CG2 3.8Å
402Q94.3Very high94.3Very high142 Ų14250.4 Ų50.466%0.66425%0.249SC*.Hα-helixtrans-69.3-45.5-178.3-174.2176.2400110.9D400 L405 Q406D400-Q402 VanDerWaalsContact C-N 3.31Å; D400-Q402 PolarHBondContact O-N 3.22Å; D400-Q402 PolarHBondContact OD1-N 3.11Å; Q402-L405 PolarHBondContact O-N 3.39Å; Q402-Q406 WeakPolarHBondContact O-CG 3.38Å; Q402-Q406 PolarHBondContact O-N 2.94Å; Q402-Q406 VanDerWaalsContact O-N 3.09Å
403G95.1Very high94.4Very high8 Ų856.8 Ų56.88%0.08228%0.279CS..Hα-helixtrans-61.9-42.2174.500000112.1L395 D400 L405 Q406 C407L395-G403 VanDerWaalsContact CD1-C 3.46Å; D400-G403 PolarHBondContact O-N 3.22Å; D400-G403 PolarHBondContact OD1-N 3.49Å; G403-L405 PolarHBondContact O-N 2.97Å; G403-Q406 PolarHBondContact O-N 3.19Å; G403-C407 PolarHBondContact O-N 3.07Å; G403-C407 PolarHBondContact O-SG 3.38Å
404A96.6Very high94.5Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-59.8-45.9175.900000112.1G392 L395 K396 D400 V401 Q406 C407 Y408 I428G392-A404 WeakPolarHBondContact O-CB 3.38Å; L395-A404 HydrophobicContact CB-CB 4.1Å; K396-A404 HydrophobicContact CB-CB 4.2Å; D400-A404 WeakPolarHBondContact O-CB 3.21Å; D400-A404 PolarHBondContact O-N 3.21Å; V401-A404 PolarHBondContact O-N 2.95Å; A404-Q406 PolarHBondContact O-N 2.93Å; A404-C407 WeakPolarHBondContact O-CB 3.37Å; A404-C407 PolarHBondContact O-N 2.86Å; A404-Y408 HydrophobicContact CB-CE2 3.95Å; A404-Y408 WeakPolarHBondContact O-CD2 3.33Å; A404-Y408 PolarHBondContact O-N 3.13Å; A404-I428 HydrophobicContact CB-CD1 4.15Å
405L95.6Very high94.6Very high62 Ų6260.3 Ų60.333%0.32530%0.297SS..Hα-helixtrans-60-46.4178-168.4147.2000111.6V401 Q402 G403 C407 Y408 T409 L425 I428V401-L405 WeakPolarHBondContact O-CB 3.47Å; V401-L405 PolarHBondContact O-N 3.2Å; Q402-L405 PolarHBondContact O-N 3.39Å; G403-L405 PolarHBondContact O-N 2.97Å; L405-C407 VanDerWaalsContact C-N 3.3Å; L405-C407 PolarHBondContact O-N 3.04Å; L405-Y408 PolarHBondContact O-N 2.82Å; L405-T409 WeakPolarHBondContact O-CB 3.42Å; L405-T409 PolarHBondContact O-N 3.44Å; L405-T409 PolarHBondContact O-OG1 3.47Å; L405-L425 HydrophobicContact CG-CD1 4.07Å; L405-I428 HydrophobicContact CB-CG2 4.46Å; L405-I428 HydrophobicContact CD1-CG2 4.18Å
406Q96.1Very high94.7Very high119 Ų11963.6 Ų63.656%0.55632%0.32SS*.Hα-helixtrans-58.4-42.3176.2-71.3174.6-2.900112.1Q402 G403 A404 R410Q402-Q406 WeakPolarHBondContact O-CG 3.38Å; Q402-Q406 PolarHBondContact O-N 2.94Å; Q402-Q406 VanDerWaalsContact O-N 3.09Å; G403-Q406 PolarHBondContact O-N 3.19Å; A404-Q406 PolarHBondContact O-N 2.93Å; Q406-R410 WeakPolarHBondContact O-CB 3.19Å; Q406-R410 PolarHBondContact O-N 3.31Å
407C97.3Very high94.9Very high7 Ų763.3 Ų63.35%0.04733%0.33CS..Hα-helixtrans-63.1-48.8178.5-690000112.1Y388 M391 L395 G403 A404 L405 R410 A411Y388-C407 WeakPolarHBondContact O-CB 3.48Å; M391-C407 WeakPolarHBondContact CE-SG 3.41Å; L395-C407 VanDerWaalsContact CD1-SG 3.54Å; G403-C407 PolarHBondContact O-N 3.07Å; G403-C407 PolarHBondContact O-SG 3.38Å; A404-C407 WeakPolarHBondContact O-CB 3.37Å; A404-C407 PolarHBondContact O-N 2.86Å; L405-C407 VanDerWaalsContact C-N 3.3Å; L405-C407 PolarHBondContact O-N 3.04Å; C407-R410 PolarHBondContact O-N 3.14Å; C407-A411 PolarHBondContact O-N 3.04Å
408Y97.4Very high95.3Very high1 Ų160.2 Ų60.20%0.00432%0.315CS..Hα-helixtrans-65.7-41.8179.5-57.8-46.6000112.1S389 G392 N393 A404 L405 R410 A411 I412 N424 L425 I428S389-Y408 WeakPolarHBondContact O-CE1 3.49Å; G392-Y408 PolarHBondContact O-OH 2.97Å; N393-Y408 WeakPolarHBondContact CA-OH 3.24Å; N393-Y408 PolarHBondContact N-OH 3.28Å; N393-Y408 WeakPolarHBondContact OD1-CE1 3.23Å; N393-Y408 PolarHBondContact OD1-OH 3.29Å; A404-Y408 HydrophobicContact CB-CE2 3.95Å; A404-Y408 WeakPolarHBondContact O-CD2 3.33Å; A404-Y408 PolarHBondContact O-N 3.13Å; L405-Y408 PolarHBondContact O-N 2.82Å; Y408-R410 VanDerWaalsContact C-N 3.29Å; Y408-R410 PolarHBondContact O-N 2.79Å; Y408-A411 PolarHBondContact O-N 3.11Å; Y408-I412 WeakPolarHBondContact O-CG1 3.3Å; Y408-I412 PolarHBondContact O-N 3.21Å; Y408-N424 HydrophobicContact CD1-CB 3.84Å; Y408-N424 HydrophobicContact CD2-CB 4.38Å; Y408-N424 HydrophobicContact CE1-CB 3.42Å; Y408-N424 VanDerWaalsContact CE1-CB 3.42Å; Y408-N424 HydrophobicContact CE2-CB 4.03Å; Y408-N424 HydrophobicContact CG-CB 4.31Å; Y408-L425 HydrophobicContact CD2-CB 4.49Å; Y408-L425 HydrophobicContact CG-CB 4.48Å; Y408-I428 HydrophobicContact CD2-CG1 4.02Å; Y408-I428 HydrophobicContact CE2-CD1 4.28Å; Y408-I428 HydrophobicContact CE2-CG1 3.6Å
409T95.8Very high95.7Very high69 Ų6957.9 Ų57.942%0.42331%0.305SS..Hα-helixtrans-59.5-42.1174.8-56.80000111.1L405 I412 Q413L405-T409 WeakPolarHBondContact O-CB 3.42Å; L405-T409 PolarHBondContact O-N 3.44Å; L405-T409 PolarHBondContact O-OG1 3.47Å; T409-I412 PolarHBondContact O-N 3.39Å; T409-Q413 WeakPolarHBondContact O-CB 3.31Å; T409-Q413 PolarHBondContact O-N 2.99Å
410R97.4Very high96Very high87 Ų8754.2 Ų54.233%0.32829%0.29SS..Hα-helixtrans-67.7-41177.7-175.755.7-178.9168.55.6112.3Y388 Q406 C407 Y408 I412 Q413 I414Y388-R410 HydrophobicContact CD1-CB 3.95Å; Y388-R410 HydrophobicContact CD1-CG 3.81Å; Y388-R410 HydrophobicContact CD2-CG 4.18Å; Y388-R410 HydrophobicContact CE1-CB 4.04Å; Y388-R410 HydrophobicContact CE1-CG 3.51Å; Y388-R410 HydrophobicContact CE2-CG 3.91Å; Y388-R410 HydrophobicContact CG-CB 4.36Å; Y388-R410 HydrophobicContact CG-CG 4.12Å; Q406-R410 WeakPolarHBondContact O-CB 3.19Å; Q406-R410 PolarHBondContact O-N 3.31Å; C407-R410 PolarHBondContact O-N 3.14Å; Y408-R410 VanDerWaalsContact C-N 3.29Å; Y408-R410 PolarHBondContact O-N 2.79Å; R410-I412 VanDerWaalsContact C-N 3.33Å; R410-I412 PolarHBondContact O-N 3.17Å; R410-Q413 PolarHBondContact O-N 3.42Å; R410-I414 HydrophobicContact CG-CD1 4.06Å; R410-I414 WeakPolarHBondContact O-CG1 3.38Å; R410-I414 PolarHBondContact O-N 3.29Å
411A97.6Very high96.1Very high0 Ų050.9 Ų50.90%027%0.272CS..Hα-helixtrans-58.1-45.1174.500000111.6A385 C407 Y408 I414 N415 F418 A421A385-A411 HydrophobicContact CB-CB 4.49Å; C407-A411 PolarHBondContact O-N 3.04Å; Y408-A411 PolarHBondContact O-N 3.11Å; A411-I414 PolarHBondContact O-N 3.07Å; A411-N415 PolarHBondContact O-N 3.47Å; A411-F418 HydrophobicContact CB-CD1 4.42Å; A411-A421 HydrophobicContact CB-CB 4.05Å
412I97.4Very high96.4Very high27 Ų2749 Ų4914%0.13826%0.26CS..Hα-helixtrans-67.1-37.2177-67163.8000111.4Y408 T409 R410 I414 N415 P416 A421 L425Y408-I412 WeakPolarHBondContact O-CG1 3.3Å; Y408-I412 PolarHBondContact O-N 3.21Å; T409-I412 PolarHBondContact O-N 3.39Å; R410-I412 VanDerWaalsContact C-N 3.33Å; R410-I412 PolarHBondContact O-N 3.17Å; I412-I414 VanDerWaalsContact C-N 3.3Å; I412-I414 PolarHBondContact O-N 2.87Å; I412-N415 CarbonylContact O-C 3.58Å; I412-N415 PolarHBondContact O-N 2.96Å; I412-P416 VanDerWaalsContact O-CA 3.23Å; I412-P416 WeakPolarHBondContact O-CA 3.17Å; I412-P416 WeakPolarHBondContact O-CD 3.41Å; I412-P416 WeakPolarHBondContact O-CG 3.41Å; I412-A421 HydrophobicContact CD1-CB 4.49Å; I412-A421 HydrophobicContact CG1-CB 3.88Å; I412-L425 HydrophobicContact CD1-CB 4.33Å; I412-L425 HydrophobicContact CD1-CD2 3.64Å
413Q97.3Very high96.5Very high133 Ų13342.5 Ų42.562%0.62123%0.23SC*.Hα-helixtrans-64-37.5176.6-169.7-174.917.800111.9T409 R410T409-Q413 WeakPolarHBondContact O-CB 3.31Å; T409-Q413 PolarHBondContact O-N 2.99Å; R410-Q413 PolarHBondContact O-N 3.42Å
414I96.7Very high96.5Very high45 Ų4544 Ų4423%0.23124%0.235CC..Hα-helixtrans-73.2-47.7177.3-66.5164.5000110.5P382 T383 A385 Y388 R410 A411 I412P382-I414 WeakPolarHBondContact O-CD1 3.41Å; T383-I414 VanDerWaalsContact O-CG2 3.23Å; T383-I414 WeakPolarHBondContact O-CG2 3.17Å; A385-I414 HydrophobicContact CB-CB 4.22Å; A385-I414 HydrophobicContact CB-CG2 3.98Å; Y388-I414 HydrophobicContact CD2-CD1 3.76Å; Y388-I414 HydrophobicContact CE2-CD1 3.68Å; R410-I414 HydrophobicContact CG-CD1 4.06Å; R410-I414 WeakPolarHBondContact O-CG1 3.38Å; R410-I414 PolarHBondContact O-N 3.29Å; A411-I414 PolarHBondContact O-N 3.07Å; I412-I414 VanDerWaalsContact C-N 3.3Å; I412-I414 PolarHBondContact O-N 2.87Å
415N95.8Very high96.6Very high68 Ų6844.8 Ų44.836%0.36424%0.24SC..  trans-132.193.9178.4-178.35.7000110.8A385 A411 I412 A417 F418A385-N415 HydrophobicContact CB-CB 4.12Å; A411-N415 PolarHBondContact O-N 3.47Å; I412-N415 CarbonylContact O-C 3.58Å; I412-N415 PolarHBondContact O-N 2.96Å; N415-A417 PolarHBondContact O-N 3.49Å; N415-A417 VanDerWaalsContact O-N 3.14Å; N415-A417 WeakPolarHBondContact OD1-CB 3.38Å; N415-A417 PolarHBondContact OD1-N 3.44Å; N415-A417 VanDerWaalsContact OD1-N 3.11Å; N415-F418 HydrophobicContact CB-CB 4.22Å; N415-F418 VanDerWaalsContact O-CB 3.28Å; N415-F418 WeakPolarHBondContact O-CB 3.48Å; N415-F418 PolarHBondContact O-N 2.85Å; N415-F418 VanDerWaalsContact O-N 3.08Å
416P96.8Very high96.6Very high86 Ų8641.8 Ų41.856%0.55822%0.224SC*.THydrogen-bonded Turntrans-62.8-20.9179.4-2635.2000114.4I412 F418 H422I412-P416 VanDerWaalsContact O-CA 3.23Å; I412-P416 WeakPolarHBondContact O-CA 3.17Å; I412-P416 WeakPolarHBondContact O-CD 3.41Å; I412-P416 WeakPolarHBondContact O-CG 3.41Å; P416-F418 VanDerWaalsContact C-N 3.27Å; P416-F418 PolarHBondContact O-N 2.8Å; P416-H422 PolarHBondContact O-NE2 3.25Å
417A95.7Very high96.6Very high61 Ų6137 Ų3750%0.50420%0.203SC..THydrogen-bonded Turntrans-84.74.4178.300000113.3N415 A419 L448N415-A417 PolarHBondContact O-N 3.49Å; N415-A417 VanDerWaalsContact O-N 3.14Å; N415-A417 WeakPolarHBondContact OD1-CB 3.38Å; N415-A417 PolarHBondContact OD1-N 3.44Å; N415-A417 VanDerWaalsContact OD1-N 3.11Å; A417-A419 PolarHBondContact O-N 3.37Å; A417-L448 HydrophobicContact CB-CD2 4.24Å
418F95.3Very high96.4Very high25 Ų2536.8 Ų36.811%0.1120%0.202CC..  trans-79.590-178.3-168.1-169.1000112.3A385 D386 A411 N415 P416 D420 A421 H422A385-F418 HydrophobicContact CB-CD1 4.2Å; D386-F418 VanDerWaalsContact OD1-CE1 3.26Å; D386-F418 WeakPolarHBondContact OD1-CE1 3.4Å; D386-F418 WeakPolarHBondContact OD1-CZ 3.31Å; A411-F418 HydrophobicContact CB-CD1 4.42Å; N415-F418 HydrophobicContact CB-CB 4.22Å; N415-F418 VanDerWaalsContact O-CB 3.28Å; N415-F418 WeakPolarHBondContact O-CB 3.48Å; N415-F418 PolarHBondContact O-N 2.85Å; N415-F418 VanDerWaalsContact O-N 3.08Å; P416-F418 VanDerWaalsContact C-N 3.27Å; P416-F418 PolarHBondContact O-N 2.8Å; F418-D420 VanDerWaalsContact C-N 3.34Å; F418-D420 HydrophobicContact CD2-CB 4.27Å; F418-D420 HydrophobicContact CE2-CB 3.76Å; F418-D420 HydrophobicContact CZ-CB 4.33Å; F418-D420 PolarHBondContact O-N 3.03Å; F418-A421 HydrophobicContact CB-CB 4.25Å; F418-A421 HydrophobicContact CD1-CB 3.58Å; F418-A421 HydrophobicContact CE1-CB 4.1Å; F418-A421 HydrophobicContact CG-CB 3.93Å; F418-A421 PolarHBondContact O-N 3.01Å; F418-H422 PolarHBondContact O-CD2 3.42Å; F418-H422 PolarHBondContact O-N 2.85Å
419A97.1Very high96.4Very high10 Ų1038.3 Ų38.38%0.08321%0.209CC..Hα-helixtrans-56.5-41.2-174.800000114A417 A421 H422 S423 A445 L448 K449 F452A417-A419 PolarHBondContact O-N 3.37Å; A419-A421 VanDerWaalsContact C-N 3.33Å; A419-A421 PolarHBondContact O-N 3.45Å; A419-H422 PolarHBondContact O-N 3.43Å; A419-S423 PolarHBondContact O-N 3.02Å; A419-A445 WeakPolarHBondContact O-CB 3.49Å; A419-L448 HydrophobicContact CB-CB 3.93Å; A419-L448 HydrophobicContact CB-CD1 4.46Å; A419-K449 HydrophobicContact CB-CB 3.85Å; A419-F452 HydrophobicContact CB-CD1 4.44Å; A419-F452 HydrophobicContact CB-CE1 4.33Å
420D94.6Very high96.3Very high59 Ų5936.8 Ų36.832%0.31620%0.197SC..Hα-helixtrans-65.3-37.1-178.2-59.9-39.5000111.7F418 H422 S423 N424 F452F418-D420 VanDerWaalsContact C-N 3.34Å; F418-D420 HydrophobicContact CD2-CB 4.27Å; F418-D420 HydrophobicContact CE2-CB 3.76Å; F418-D420 HydrophobicContact CZ-CB 4.33Å; F418-D420 PolarHBondContact O-N 3.03Å; D420-H422 PolarHBondContact O-N 3.08Å; D420-S423 WeakPolarHBondContact O-CB 3.16Å; D420-S423 PolarHBondContact O-N 3.01Å; D420-N424 WeakPolarHBondContact O-CB 3.35Å; D420-N424 PolarHBondContact O-N 3.15Å; D420-N424 PolarHBondContact O-ND2 3.15Å; D420-F452 WeakPolarHBondContact OD1-CE1 3.38Å; D420-F452 WeakPolarHBondContact OD1-CZ 3.37Å
421A96Very high96Very high0 Ų036.2 Ų36.20%020%0.2CC..Hα-helixtrans-65.2-38.9175.600000112.3A411 I412 F418 A419 N424 L425A411-A421 HydrophobicContact CB-CB 4.05Å; I412-A421 HydrophobicContact CD1-CB 4.49Å; I412-A421 HydrophobicContact CG1-CB 3.88Å; F418-A421 HydrophobicContact CB-CB 4.25Å; F418-A421 HydrophobicContact CD1-CB 3.58Å; F418-A421 HydrophobicContact CE1-CB 4.1Å; F418-A421 HydrophobicContact CG-CB 3.93Å; F418-A421 PolarHBondContact O-N 3.01Å; A419-A421 VanDerWaalsContact C-N 3.33Å; A419-A421 PolarHBondContact O-N 3.45Å; A421-N424 PolarHBondContact O-N 3.38Å; A421-L425 WeakPolarHBondContact O-CB 3.1Å; A421-L425 PolarHBondContact O-N 3.04Å
422H98.1Very high95.7Very high21 Ų2139.9 Ų39.910%0.09723%0.225CC..Hα-helixtrans-63.5-41.9172.4-76.5-80.4000112P416 F418 A419 D420 L425 A426 A445P416-H422 PolarHBondContact O-NE2 3.25Å; F418-H422 PolarHBondContact O-CD2 3.42Å; F418-H422 PolarHBondContact O-N 2.85Å; A419-H422 PolarHBondContact O-N 3.43Å; D420-H422 PolarHBondContact O-N 3.08Å; H422-L425 PolarHBondContact O-N 2.74Å; H422-A426 VanDerWaalsContact O-CB 3.31Å; H422-A426 WeakPolarHBondContact O-CB 3.3Å; H422-A426 PolarHBondContact O-N 2.83Å; H422-A445 HydrophobicContact CB-CB 4.02Å
423S97.7Very high95.4Very high5 Ų541.1 Ų41.14%0.03525%0.245CC..Hα-helixtrans-62.6-44.2176.4-172.10000111.9A419 D420 A426 S427 Y442A419-S423 PolarHBondContact O-N 3.02Å; D420-S423 WeakPolarHBondContact O-CB 3.16Å; D420-S423 PolarHBondContact O-N 3.01Å; S423-A426 WeakPolarHBondContact O-CB 3.27Å; S423-A426 PolarHBondContact O-N 3.01Å; S423-S427 PolarHBondContact O-N 2.69Å; S423-Y442 WeakPolarHBondContact O-CE1 3.23Å
424N95.2Very high95.3Very high38 Ų3837.6 Ų37.620%0.20323%0.231CC..Hα-helixtrans-67.2-41.4178.7-66.8-24.5000112S389 N393 Y408 D420 A421 A426 S427 I428S389-N424 PolarHBondContact OG-ND2 3.3Å; N393-N424 PolarHBondContact OD1-ND2 3.17Å; Y408-N424 HydrophobicContact CD1-CB 3.84Å; Y408-N424 HydrophobicContact CD2-CB 4.38Å; Y408-N424 HydrophobicContact CE1-CB 3.42Å; Y408-N424 VanDerWaalsContact CE1-CB 3.42Å; Y408-N424 HydrophobicContact CE2-CB 4.03Å; Y408-N424 HydrophobicContact CG-CB 4.31Å; D420-N424 WeakPolarHBondContact O-CB 3.35Å; D420-N424 PolarHBondContact O-N 3.15Å; D420-N424 PolarHBondContact O-ND2 3.15Å; A421-N424 PolarHBondContact O-N 3.38Å; N424-A426 VanDerWaalsContact C-N 3.33Å; N424-A426 PolarHBondContact O-N 2.88Å; N424-S427 WeakPolarHBondContact O-CB 3.41Å; N424-S427 PolarHBondContact O-N 3.2Å; N424-I428 PolarHBondContact O-N 3.22Å; N424-I428 VanDerWaalsContact O-N 3.16Å
425L96.9Very high95.4Very high17 Ų1735.8 Ų35.89%0.08922%0.222CC..Hα-helixtrans-60.2-43.8172.6-179.861000111.4L405 Y408 I412 A421 H422 S427 I428 H429L405-L425 HydrophobicContact CG-CD1 4.07Å; Y408-L425 HydrophobicContact CD2-CB 4.49Å; Y408-L425 HydrophobicContact CG-CB 4.48Å; I412-L425 HydrophobicContact CD1-CB 4.33Å; I412-L425 HydrophobicContact CD1-CD2 3.64Å; A421-L425 WeakPolarHBondContact O-CB 3.1Å; A421-L425 PolarHBondContact O-N 3.04Å; H422-L425 PolarHBondContact O-N 2.74Å; L425-S427 VanDerWaalsContact C-N 3.27Å; L425-S427 PolarHBondContact O-N 3.45Å; L425-I428 WeakPolarHBondContact O-CB 3.45Å; L425-I428 PolarHBondContact O-N 3.21Å; L425-I428 VanDerWaalsContact O-N 3.1Å; L425-H429 PolarHBondContact O-CD2 3.31Å; L425-H429 PolarHBondContact O-N 2.94Å
426A97.5Very high95.5Very high0 Ų035.3 Ų35.30%022%0.222CC..Hα-helixtrans-60.6-37.6176.400000112H422 S423 N424 I428 H429 K430 A438 Y442H422-A426 VanDerWaalsContact O-CB 3.31Å; H422-A426 WeakPolarHBondContact O-CB 3.3Å; H422-A426 PolarHBondContact O-N 2.83Å; S423-A426 WeakPolarHBondContact O-CB 3.27Å; S423-A426 PolarHBondContact O-N 3.01Å; N424-A426 VanDerWaalsContact C-N 3.33Å; N424-A426 PolarHBondContact O-N 2.88Å; A426-I428 VanDerWaalsContact C-N 3.34Å; A426-I428 PolarHBondContact O-N 2.99Å; A426-H429 PolarHBondContact O-N 3.1Å; A426-K430 WeakPolarHBondContact O-CB 3.11Å; A426-K430 PolarHBondContact O-N 3.45Å; A426-A438 HydrophobicContact CB-CB 4.45Å; A426-A438 WeakPolarHBondContact CB-O 3.44Å; A426-A438 VanDerWaalsContact O-CB 3.29Å; A426-A438 WeakPolarHBondContact O-CB 3.45Å; A426-Y442 HydrophobicContact CB-CD1 3.64Å; A426-Y442 HydrophobicContact CB-CD2 3.58Å; A426-Y442 HydrophobicContact CB-CE1 3.53Å; A426-Y442 HydrophobicContact CB-CE2 3.45Å; A426-Y442 VanDerWaalsContact CB-CE2 3.45Å; A426-Y442 HydrophobicContact CB-CG 3.64Å; A426-Y442 VanDerWaalsContact CB-CZ 3.41Å
427S95Very high95.5Very high17 Ų1735.2 Ų35.212%0.11921%0.214CC..Hα-helixtrans-62.9-39.9174-177.20000112.1K396 S423 N424 L425 K430 D431 Y442K396-S427 PolarHBondContact NZ-OG 2.68Å; S423-S427 PolarHBondContact O-N 2.69Å; N424-S427 WeakPolarHBondContact O-CB 3.41Å; N424-S427 PolarHBondContact O-N 3.2Å; L425-S427 VanDerWaalsContact C-N 3.27Å; L425-S427 PolarHBondContact O-N 3.45Å; S427-K430 PolarHBondContact O-N 2.85Å; S427-D431 WeakPolarHBondContact O-CB 3.38Å; S427-D431 PolarHBondContact O-N 2.84Å; S427-Y442 VanDerWaalsContact CA-OH 3.27Å; S427-Y442 WeakPolarHBondContact CA-OH 3.41Å; S427-Y442 PolarHBondContact N-OH 3.46Å
428I94.3Very high95.6Very high3 Ų332.3 Ų32.32%0.01519%0.19CC..Hα-helixtrans-64.6-44.9175.4-66-60.8000111.2K396 V401 A404 L405 Y408 N424 L425 A426 K430 D431 S432K396-I428 HydrophobicContact CB-CD1 4.26Å; K396-I428 HydrophobicContact CD-CD1 3.8Å; K396-I428 HydrophobicContact CG-CD1 3.79Å; V401-I428 HydrophobicContact CG1-CG2 3.8Å; A404-I428 HydrophobicContact CB-CD1 4.15Å; L405-I428 HydrophobicContact CB-CG2 4.46Å; L405-I428 HydrophobicContact CD1-CG2 4.18Å; Y408-I428 HydrophobicContact CD2-CG1 4.02Å; Y408-I428 HydrophobicContact CE2-CD1 4.28Å; Y408-I428 HydrophobicContact CE2-CG1 3.6Å; N424-I428 PolarHBondContact O-N 3.22Å; N424-I428 VanDerWaalsContact O-N 3.16Å; L425-I428 WeakPolarHBondContact O-CB 3.45Å; L425-I428 PolarHBondContact O-N 3.21Å; L425-I428 VanDerWaalsContact O-N 3.1Å; A426-I428 VanDerWaalsContact C-N 3.34Å; A426-I428 PolarHBondContact O-N 2.99Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.23Å; I428-D431 PolarHBondContact O-N 3.21Å; I428-S432 WeakPolarHBondContact O-CB 3.35Å; I428-S432 PolarHBondContact O-N 3.05Å; I428-S432 PolarHBondContact O-OG 3.12Å
429H95.6Very high95.8Very high34 Ų3432 Ų3216%0.15719%0.189CC..Hα-helixtrans-59.4-44.8175.2-73.1-46000111.9L425 A426 D431 S432 G433 N434 E437 A438L425-H429 PolarHBondContact O-CD2 3.31Å; L425-H429 PolarHBondContact O-N 2.94Å; A426-H429 PolarHBondContact O-N 3.1Å; H429-D431 PolarHBondContact O-N 3.46Å; H429-S432 CarbonylContact O-C 3.44Å; H429-S432 PolarHBondContact O-N 2.76Å; H429-G433 PolarHBondContact O-N 3.15Å; H429-G433 VanDerWaalsContact O-N 3.15Å; H429-N434 HydrophobicContact CB-CB 4.35Å; H429-N434 PolarHBondContact O-N 3.27Å; H429-E437 HydrophobicContact CB-CB 4.41Å; H429-A438 HydrophobicContact CB-CB 3.92Å
430K95.3Very high95.8Very high37 Ų3734.1 Ų34.116%0.16121%0.207CC..Hα-helixtrans-58-48.8175.2176.7-172.3159.3-71.80111.5A426 S427 I428 S432 G433 I435 A438 H461A426-K430 WeakPolarHBondContact O-CB 3.11Å; A426-K430 PolarHBondContact O-N 3.45Å; S427-K430 PolarHBondContact O-N 2.85Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.23Å; K430-S432 PolarHBondContact O-N 2.94Å; K430-G433 PolarHBondContact O-N 3.26Å; K430-I435 HydrophobicContact CG-CD1 4.4Å; K430-A438 HydrophobicContact CB-CB 4.03Å; K430-H461 WeakPolarHBondContact CE-ND1 3.39Å
431D89.9Confident96Very high75 Ų7532.1 Ų32.140%0.40120%0.198SC..Hα-helixtrans-69.5-21.2-177.6-64.2-19.6000112.3K396 S427 I428 H429K396-D431 IonicContact NZ-OD2 2.82Å; S427-D431 WeakPolarHBondContact O-CB 3.38Å; S427-D431 PolarHBondContact O-N 2.84Å; I428-D431 PolarHBondContact O-N 3.21Å; H429-D431 PolarHBondContact O-N 3.46Å
432S91Very high96.1Very high76 Ų7632.2 Ų32.253%0.53120%0.198SC..THydrogen-bonded Turntrans-88.1-1.7173.2-510000113.2I428 H429 K430 N434I428-S432 WeakPolarHBondContact O-CB 3.35Å; I428-S432 PolarHBondContact O-N 3.05Å; I428-S432 PolarHBondContact O-OG 3.12Å; H429-S432 CarbonylContact O-C 3.44Å; H429-S432 PolarHBondContact O-N 2.76Å; K430-S432 PolarHBondContact O-N 2.94Å; S432-N434 VanDerWaalsContact C-N 3.29Å; S432-N434 PolarHBondContact O-N 3.07Å
433G91.9Very high96.1Very high54 Ų5437.7 Ų37.756%0.55722%0.218SC*.THydrogen-bonded Turntrans78.84-176.800000115.1H429 K430 I435H429-G433 PolarHBondContact O-N 3.15Å; H429-G433 VanDerWaalsContact O-N 3.15Å; K430-G433 PolarHBondContact O-N 3.26Å; G433-I435 VanDerWaalsContact C-N 3.25Å; G433-I435 PolarHBondContact O-N 2.93Å
434N95.8Very high96.1Very high59 Ų5940.2 Ų40.232%0.31623%0.233SC..  trans-84.467.9176.7-157.214.3000111.5H429 S432 E437 A438H429-N434 HydrophobicContact CB-CB 4.35Å; H429-N434 PolarHBondContact O-N 3.27Å; S432-N434 VanDerWaalsContact C-N 3.29Å; S432-N434 PolarHBondContact O-N 3.07Å; N434-E437 VanDerWaalsContact CG-CD 3.41Å; N434-E437 VanDerWaalsContact CG-OE2 3.23Å; N434-E437 WeakPolarHBondContact ND2-CG 3.42Å; N434-E437 PolarHBondContact ND2-OE1 3.18Å; N434-E437 PolarHBondContact ND2-OE2 3.17Å; N434-E437 VanDerWaalsContact OD1-CD 3.3Å; N434-E437 PolarHBondContact OD1-OE2 3.01Å; N434-A438 PolarHBondContact O-N 3.43Å
435I97.9Very high96.3Very high7 Ų738.4 Ų38.44%0.03622%0.223CC..Hα-helixtrans-64.2-39.3-170-47.4-56.5000114.1K430 G433 E437 A438 I439 C462 I465 V466K430-I435 HydrophobicContact CG-CD1 4.4Å; G433-I435 VanDerWaalsContact C-N 3.25Å; G433-I435 PolarHBondContact O-N 2.93Å; I435-E437 VanDerWaalsContact C-N 3.34Å; I435-E437 PolarHBondContact O-N 3.24Å; I435-A438 WeakPolarHBondContact O-CB 3.49Å; I435-A438 PolarHBondContact O-N 2.86Å; I435-I439 HydrophobicContact CG2-CD1 3.95Å; I435-I439 HydrophobicContact CG2-CG1 4.3Å; I435-I439 WeakPolarHBondContact O-CG1 3.33Å; I435-I439 PolarHBondContact O-N 3.31Å; I435-C462 HydrophobicContact CG2-CB 3.79Å; I435-C462 WeakPolarHBondContact CG2-O 3.27Å; I435-I465 HydrophobicContact CD1-CD1 3.99Å; I435-I465 HydrophobicContact CD1-CG2 4.26Å; I435-I465 HydrophobicContact CG1-CG2 3.91Å; I435-V466 HydrophobicContact CB-CG1 3.95Å; I435-V466 HydrophobicContact CG2-CG1 3.61Å
436P97.9Very high96.3Very high57 Ų5738.9 Ų38.937%0.3723%0.226SC..Hα-helixtrans-60-41.7179.5-2334.4000113.1I439 A440 V871P436-I439 WeakPolarHBondContact O-CB 3.42Å; P436-I439 PolarHBondContact O-N 2.96Å; P436-A440 PolarHBondContact O-N 3.3Å; P436-V871 HydrophobicContact CG-CG1 4.34Å
437E97Very high96.3Very high85 Ų8547.6 Ų47.640%0.39726%0.264SS..Hα-helixtrans-69.4-38.9177.9-77.782.3148.300110.9H429 N434 I435 I439 A440 S441H429-E437 HydrophobicContact CB-CB 4.41Å; N434-E437 VanDerWaalsContact CG-CD 3.41Å; N434-E437 VanDerWaalsContact CG-OE2 3.23Å; N434-E437 WeakPolarHBondContact ND2-CG 3.42Å; N434-E437 PolarHBondContact ND2-OE1 3.18Å; N434-E437 PolarHBondContact ND2-OE2 3.17Å; N434-E437 VanDerWaalsContact OD1-CD 3.3Å; N434-E437 PolarHBondContact OD1-OE2 3.01Å; I435-E437 VanDerWaalsContact C-N 3.34Å; I435-E437 PolarHBondContact O-N 3.24Å; E437-I439 VanDerWaalsContact C-N 3.33Å; E437-I439 PolarHBondContact O-N 3.41Å; E437-A440 PolarHBondContact O-N 3.3Å; E437-S441 WeakPolarHBondContact O-CB 3.38Å; E437-S441 PolarHBondContact O-N 3Å; E437-S441 PolarHBondContact O-OG 2.92Å
438A98.2Very high96.4Very high0 Ų050.4 Ų50.40%028%0.277CS..Hα-helixtrans-58.5-45.9171.100000111.5A426 H429 K430 N434 I435 A440 S441 Y442A426-A438 HydrophobicContact CB-CB 4.45Å; A426-A438 WeakPolarHBondContact CB-O 3.44Å; A426-A438 VanDerWaalsContact O-CB 3.29Å; A426-A438 WeakPolarHBondContact O-CB 3.45Å; H429-A438 HydrophobicContact CB-CB 3.92Å; K430-A438 HydrophobicContact CB-CB 4.03Å; N434-A438 PolarHBondContact O-N 3.43Å; I435-A438 WeakPolarHBondContact O-CB 3.49Å; I435-A438 PolarHBondContact O-N 2.86Å; A438-A440 PolarHBondContact O-N 3.21Å; A438-S441 PolarHBondContact O-N 3.43Å; A438-Y442 HydrophobicContact CB-CD2 4.49Å; A438-Y442 HydrophobicContact CB-CE2 4.31Å; A438-Y442 WeakPolarHBondContact O-CD2 3.48Å; A438-Y442 PolarHBondContact O-N 3.15Å
439I98.6Very high96.6Very high18 Ų1854.4 Ų54.49%0.09229%0.294CS..Hα-helixtrans-59-46.9176.5-70.9165.5000110.7I435 P436 E437 Y442 R443 L459 C462 L463 V466I435-I439 HydrophobicContact CG2-CD1 3.95Å; I435-I439 HydrophobicContact CG2-CG1 4.3Å; I435-I439 WeakPolarHBondContact O-CG1 3.33Å; I435-I439 PolarHBondContact O-N 3.31Å; P436-I439 WeakPolarHBondContact O-CB 3.42Å; P436-I439 PolarHBondContact O-N 2.96Å; E437-I439 VanDerWaalsContact C-N 3.33Å; E437-I439 PolarHBondContact O-N 3.41Å; I439-Y442 PolarHBondContact O-N 2.87Å; I439-R443 HydrophobicContact CG2-CG 4.48Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 VanDerWaalsContact O-CG 3.3Å; I439-R443 WeakPolarHBondContact O-CG 3.23Å; I439-R443 PolarHBondContact O-N 3.37Å; I439-L459 HydrophobicContact CB-CD1 4.15Å; I439-L459 HydrophobicContact CG1-CD1 4.09Å; I439-L459 HydrophobicContact CG2-CD1 3.9Å; I439-C462 HydrophobicContact CD1-CB 4.27Å; I439-C462 HydrophobicContact CG1-CB 3.61Å; I439-L463 HydrophobicContact CD1-CD2 3.86Å; I439-L463 HydrophobicContact CG1-CD2 4.17Å; I439-L463 HydrophobicContact CG2-CD2 4.16Å; I439-V466 HydrophobicContact CD1-CG2 3.88Å
440A98Very high96.6Very high54 Ų5458 Ų5845%0.44632%0.321SS..Hα-helixtrans-62.6-44.1179.900000112.6P436 E437 A438 R443 T444P436-A440 PolarHBondContact O-N 3.3Å; E437-A440 PolarHBondContact O-N 3.3Å; A438-A440 PolarHBondContact O-N 3.21Å; A440-R443 PolarHBondContact O-N 3.29Å; A440-T444 PolarHBondContact O-N 3.16Å; A440-T444 PolarHBondContact O-OG1 2.76Å
441S98Very high96.5Very high18 Ų1861.5 Ų61.513%0.12634%0.341CS..Hα-helixtrans-67.5-42.3178.1-70.30000112.2E437 A438 R443 T444 A445E437-S441 WeakPolarHBondContact O-CB 3.38Å; E437-S441 PolarHBondContact O-N 3Å; E437-S441 PolarHBondContact O-OG 2.92Å; A438-S441 PolarHBondContact O-N 3.43Å; S441-R443 PolarHBondContact O-N 3.39Å; S441-T444 WeakPolarHBondContact O-CB 3.46Å; S441-T444 PolarHBondContact O-N 2.92Å; S441-A445 PolarHBondContact O-N 2.69Å
442Y98.5Very high96.8Very high1 Ų158.7 Ų58.70%0.00433%0.326CS..Hα-helixtrans-65.5-38.6174.5-73.6-56000112.8S423 A426 S427 A438 I439 T444 A445 L446 A455 N458 L459S423-Y442 WeakPolarHBondContact O-CE1 3.23Å; A426-Y442 HydrophobicContact CB-CD1 3.64Å; A426-Y442 HydrophobicContact CB-CD2 3.58Å; A426-Y442 HydrophobicContact CB-CE1 3.53Å; A426-Y442 HydrophobicContact CB-CE2 3.45Å; A426-Y442 VanDerWaalsContact CB-CE2 3.45Å; A426-Y442 HydrophobicContact CB-CG 3.64Å; A426-Y442 VanDerWaalsContact CB-CZ 3.41Å; S427-Y442 VanDerWaalsContact CA-OH 3.27Å; S427-Y442 WeakPolarHBondContact CA-OH 3.41Å; S427-Y442 PolarHBondContact N-OH 3.46Å; A438-Y442 HydrophobicContact CB-CD2 4.49Å; A438-Y442 HydrophobicContact CB-CE2 4.31Å; A438-Y442 WeakPolarHBondContact O-CD2 3.48Å; A438-Y442 PolarHBondContact O-N 3.15Å; I439-Y442 PolarHBondContact O-N 2.87Å; Y442-T444 VanDerWaalsContact C-N 3.28Å; Y442-T444 PolarHBondContact O-N 3.49Å; Y442-A445 PolarHBondContact O-N 3.34Å; Y442-L446 WeakPolarHBondContact O-CG 3.49Å; Y442-L446 PolarHBondContact O-N 3.49Å; Y442-A455 HydrophobicContact CD1-CB 3.95Å; Y442-N458 HydrophobicContact CD1-CB 4.49Å; Y442-N458 HydrophobicContact CE1-CB 3.73Å; Y442-N458 HydrophobicContact CE2-CB 3.78Å; Y442-N458 WeakPolarHBondContact OH-CB 3.1Å; Y442-L459 HydrophobicContact CD2-CB 4.28Å; Y442-L459 HydrophobicContact CG-CB 4.16Å
443R98.3Very high97.1Very high136 Ų13656.4 Ų56.451%0.51331%0.309SS..Hα-helixtrans-60.9-39.9173.4-76.3179.2-179.5-179.63.5111.2I439 A440 S441 L446 K447 L459 D468I439-R443 HydrophobicContact CG2-CG 4.48Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 VanDerWaalsContact O-CG 3.3Å; I439-R443 WeakPolarHBondContact O-CG 3.23Å; I439-R443 PolarHBondContact O-N 3.37Å; A440-R443 PolarHBondContact O-N 3.29Å; S441-R443 PolarHBondContact O-N 3.39Å; R443-L446 PolarHBondContact O-N 3.16Å; R443-K447 WeakPolarHBondContact O-CB 3.49Å; R443-K447 PolarHBondContact O-N 3.19Å; R443-L459 HydrophobicContact CG-CD1 4.39Å; R443-L459 HydrophobicContact CG-CD2 4.05Å; R443-D468 IonicContact NH2-OD2 3.19Å
444T98.1Very high97.3Very high58 Ų5857.4 Ų57.436%0.35630%0.301SS..Hα-helixtrans-63.1-46.2173.6-57.60000111.3A440 S441 Y442 L446 K447 L448A440-T444 PolarHBondContact O-N 3.16Å; A440-T444 PolarHBondContact O-OG1 2.76Å; S441-T444 WeakPolarHBondContact O-CB 3.46Å; S441-T444 PolarHBondContact O-N 2.92Å; Y442-T444 VanDerWaalsContact C-N 3.28Å; Y442-T444 PolarHBondContact O-N 3.49Å; T444-L446 VanDerWaalsContact C-N 3.35Å; T444-L446 PolarHBondContact O-N 3.35Å; T444-K447 PolarHBondContact O-N 3.39Å; T444-L448 HydrophobicContact CG2-CD1 4.07Å; T444-L448 WeakPolarHBondContact O-CG 3.4Å; T444-L448 PolarHBondContact O-N 2.67Å
445A98.2Very high97.3Very high0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-58-44.8176.800000112.3A419 H422 S441 Y442 L448 K449 F452 A455A419-A445 WeakPolarHBondContact O-CB 3.49Å; H422-A445 HydrophobicContact CB-CB 4.02Å; S441-A445 PolarHBondContact O-N 2.69Å; Y442-A445 PolarHBondContact O-N 3.34Å; A445-L448 PolarHBondContact O-N 3.18Å; A445-K449 PolarHBondContact O-N 2.98Å; A445-F452 HydrophobicContact CB-CD1 4.36Å; A445-F452 HydrophobicContact CB-CE1 4.4Å; A445-A455 HydrophobicContact CB-CB 4.29Å
446L97.8Very high97.4Very high28 Ų2856.8 Ų56.815%0.14729%0.294CS..Hα-helixtrans-70.4-29.9178-72.6165.8000113.3Y442 R443 T444 L448 K449 P450 F452 A455 Y456 L459Y442-L446 WeakPolarHBondContact O-CG 3.49Å; Y442-L446 PolarHBondContact O-N 3.49Å; R443-L446 PolarHBondContact O-N 3.16Å; T444-L446 VanDerWaalsContact C-N 3.35Å; T444-L446 PolarHBondContact O-N 3.35Å; L446-L448 VanDerWaalsContact C-N 3.33Å; L446-K449 WeakPolarHBondContact CA-O 3.48Å; L446-K449 CarbonylContact O-C 3.54Å; L446-K449 VanDerWaalsContact O-C 3.22Å; L446-P450 VanDerWaalsContact O-CA 3.26Å; L446-P450 WeakPolarHBondContact O-CA 3.29Å; L446-F452 HydrophobicContact CD2-CB 4.06Å; L446-A455 HydrophobicContact CD2-CB 4.32Å; L446-A455 HydrophobicContact CG-CB 4.26Å; L446-Y456 HydrophobicContact CD1-CD2 4.05Å; L446-Y456 HydrophobicContact CD2-CD2 4.25Å; L446-L459 HydrophobicContact CD1-CD2 3.56Å
447K97.9Very high97.4Very high183 Ų18354.2 Ų54.280%0.79628%0.278SS*.Hα-helixtrans-66.7-38.4172.1-174.9179.4179-1780111.4R443 T444R443-K447 WeakPolarHBondContact O-CB 3.49Å; R443-K447 PolarHBondContact O-N 3.19Å; T444-K447 PolarHBondContact O-N 3.39Å
448L97.2Very high97.4Very high75 Ų7551.9 Ų51.939%0.39327%0.268SS..Hα-helixtrans-75-38.3177.9-66.7169.2000111.9A417 A419 T444 A445 L446A417-L448 HydrophobicContact CB-CD2 4.24Å; A419-L448 HydrophobicContact CB-CB 3.93Å; A419-L448 HydrophobicContact CB-CD1 4.46Å; T444-L448 HydrophobicContact CG2-CD1 4.07Å; T444-L448 WeakPolarHBondContact O-CG 3.4Å; T444-L448 PolarHBondContact O-N 2.67Å; A445-L448 PolarHBondContact O-N 3.18Å; L446-L448 VanDerWaalsContact C-N 3.33Å
449K96.6Very high97.4Very high87 Ų8752.6 Ų52.638%0.37827%0.272SS..  trans-135.493.5-179.9-173.6-179.3176.6-179.20109.8A419 A445 L446 D451 F452A419-K449 HydrophobicContact CB-CB 3.85Å; A445-K449 PolarHBondContact O-N 2.98Å; L446-K449 WeakPolarHBondContact CA-O 3.48Å; L446-K449 CarbonylContact O-C 3.54Å; L446-K449 VanDerWaalsContact O-C 3.22Å; K449-D451 VanDerWaalsContact C-N 3.34Å; K449-D451 WeakPolarHBondContact CE-O 3.27Å; K449-D451 PolarHBondContact O-N 3.39Å; K449-F452 HydrophobicContact CB-CB 4.4Å; K449-F452 HydrophobicContact CB-CD1 4.39Å; K449-F452 HydrophobicContact CD-CB 4.15Å; K449-F452 HydrophobicContact CD-CD1 4.07Å; K449-F452 HydrophobicContact CD-CG 4.1Å; K449-F452 HydrophobicContact CG-CB 4.14Å; K449-F452 WeakPolarHBondContact O-CB 3.45Å
450P96.2Very high97.4Very high111 Ų11151.8 Ų51.872%0.72127%0.268SS*.SBendtrans-61-37.7-176.9-27.736.2000114.3L446 F452L446-P450 VanDerWaalsContact O-CA 3.26Å; L446-P450 WeakPolarHBondContact O-CA 3.29Å; P450-F452 PolarHBondContact O-N 3.38Å
451D94.1Very high97.4Very high110 Ų11050 Ų5059%0.58825%0.251SS*.  trans-89.883172-174.522000110.3K449K449-D451 VanDerWaalsContact C-N 3.34Å; K449-D451 WeakPolarHBondContact CE-O 3.27Å; K449-D451 PolarHBondContact O-N 3.39Å
452F96.7Very high97.4Very high16 Ų1649.2 Ų49.27%0.0725%0.245CC..  trans-138.181.9177.3-163.1176.2000111.5A419 D420 A445 L446 K449 P450 D454 A455 Y456A419-F452 HydrophobicContact CB-CD1 4.44Å; A419-F452 HydrophobicContact CB-CE1 4.33Å; D420-F452 WeakPolarHBondContact OD1-CE1 3.38Å; D420-F452 WeakPolarHBondContact OD1-CZ 3.37Å; A445-F452 HydrophobicContact CB-CD1 4.36Å; A445-F452 HydrophobicContact CB-CE1 4.4Å; L446-F452 HydrophobicContact CD2-CB 4.06Å; K449-F452 HydrophobicContact CB-CB 4.4Å; K449-F452 HydrophobicContact CB-CD1 4.39Å; K449-F452 HydrophobicContact CD-CB 4.15Å; K449-F452 HydrophobicContact CD-CD1 4.07Å; K449-F452 HydrophobicContact CD-CG 4.1Å; K449-F452 HydrophobicContact CG-CB 4.14Å; K449-F452 WeakPolarHBondContact O-CB 3.45Å; P450-F452 PolarHBondContact O-N 3.38Å; F452-D454 HydrophobicContact CD2-CB 4.33Å; F452-D454 HydrophobicContact CE2-CB 3.97Å; F452-D454 PolarHBondContact O-N 2.97Å; F452-A455 HydrophobicContact CB-CB 4.15Å; F452-A455 HydrophobicContact CD1-CB 3.55Å; F452-A455 HydrophobicContact CD2-CB 4.14Å; F452-A455 HydrophobicContact CE1-CB 3.92Å; F452-A455 HydrophobicContact CE2-CB 4.47Å; F452-A455 HydrophobicContact CG-CB 3.67Å; F452-A455 HydrophobicContact CZ-CB 4.36Å; F452-A455 PolarHBondContact O-N 2.99Å; F452-Y456 PolarHBondContact O-N 3.42Å
453P96.9Very high97.4Very high28 Ų2849.5 Ų49.518%0.18225%0.246CC..Hα-helixtrans-50.1-46.6-177.2-34.739.8000115.5A455 Y456 C457 I482 Q486P453-A455 PolarHBondContact O-N 3.48Å; P453-Y456 PolarHBondContact O-N 2.98Å; P453-C457 WeakPolarHBondContact O-CB 3.46Å; P453-C457 PolarHBondContact O-N 3.31Å; P453-C457 PolarHBondContact O-SG 3.37Å; P453-C457 VanDerWaalsContact O-SG 3.37Å; P453-I482 HydrophobicContact CB-CG2 3.7Å; P453-I482 HydrophobicContact CG-CG2 4.32Å; P453-Q486 VanDerWaalsContact CB-NE2 3.32Å
454D94.8Very high97.4Very high75 Ų7543 Ų4340%0.40122%0.222SC..Hα-helixtrans-62.9-46.1-178.4-65.2-44.4000112F452 Y456 N458 S494F452-D454 HydrophobicContact CD2-CB 4.33Å; F452-D454 HydrophobicContact CE2-CB 3.97Å; F452-D454 PolarHBondContact O-N 2.97Å; D454-Y456 VanDerWaalsContact C-N 3.33Å; D454-Y456 PolarHBondContact O-N 3.18Å; D454-N458 WeakPolarHBondContact O-CB 3.29Å; D454-N458 PolarHBondContact O-N 3.34Å; D454-N458 PolarHBondContact O-ND2 3.47Å; D454-S494 WeakPolarHBondContact CA-OG 3.4Å; D454-S494 PolarHBondContact N-OG 3.38Å; D454-S494 VanDerWaalsContact OD1-CB 3.25Å; D454-S494 WeakPolarHBondContact OD1-CB 3.28Å; D454-S494 PolarHBondContact OD1-OG 2.51Å
455A97.2Very high97.4Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-64.7-39.7176.700000111.3Y442 A445 L446 F452 P453 L459Y442-A455 HydrophobicContact CD1-CB 3.95Å; A445-A455 HydrophobicContact CB-CB 4.29Å; L446-A455 HydrophobicContact CD2-CB 4.32Å; L446-A455 HydrophobicContact CG-CB 4.26Å; F452-A455 HydrophobicContact CB-CB 4.15Å; F452-A455 HydrophobicContact CD1-CB 3.55Å; F452-A455 HydrophobicContact CD2-CB 4.14Å; F452-A455 HydrophobicContact CE1-CB 3.92Å; F452-A455 HydrophobicContact CE2-CB 4.47Å; F452-A455 HydrophobicContact CG-CB 3.67Å; F452-A455 HydrophobicContact CZ-CB 4.36Å; F452-A455 PolarHBondContact O-N 2.99Å; P453-A455 PolarHBondContact O-N 3.48Å; A455-L459 WeakPolarHBondContact O-CB 3.27Å; A455-L459 PolarHBondContact O-N 3.03Å
456Y98.5Very high97.4Very high52 Ų5242 Ų4220%0.20421%0.214CC..Hα-helixtrans-64.4-49.5178.4-167.7-86.9000112.5L446 F452 P453 D454 N458 L459 A460 R475 K478 L479 I482L446-Y456 HydrophobicContact CD1-CD2 4.05Å; L446-Y456 HydrophobicContact CD2-CD2 4.25Å; F452-Y456 PolarHBondContact O-N 3.42Å; P453-Y456 PolarHBondContact O-N 2.98Å; D454-Y456 VanDerWaalsContact C-N 3.33Å; D454-Y456 PolarHBondContact O-N 3.18Å; Y456-N458 PolarHBondContact O-N 3.47Å; Y456-L459 PolarHBondContact O-N 3.35Å; Y456-A460 WeakPolarHBondContact O-CB 3.45Å; Y456-A460 PolarHBondContact O-N 3.14Å; Y456-R475 HydrophobicContact CE1-CG 4.23Å; Y456-R475 WeakPolarHBondContact OH-CA 3.21Å; Y456-K478 HydrophobicContact CD1-CG 4.49Å; Y456-K478 HydrophobicContact CE1-CB 3.98Å; Y456-K478 HydrophobicContact CE1-CG 3.8Å; Y456-K478 HydrophobicContact CE2-CG 4.24Å; Y456-K478 WeakPolarHBondContact OH-CB 3.31Å; Y456-L479 HydrophobicContact CD1-CD2 4.02Å; Y456-L479 HydrophobicContact CE1-CD2 4.16Å; Y456-L479 HydrophobicContact CE1-CG 4.19Å; Y456-I482 HydrophobicContact CD1-CD1 3.47Å; Y456-I482 VanDerWaalsContact CD1-CD1 3.47Å; Y456-I482 HydrophobicContact CE1-CD1 4.11Å; Y456-I482 HydrophobicContact CG-CD1 3.88Å
457C98.1Very high97.5Very high3 Ų340.6 Ų40.62%0.0221%0.207CC..Hα-helixtrans-64.8-40.3-180-69.30000112.1P453 A460 H461 L479 S494 V495P453-C457 WeakPolarHBondContact O-CB 3.46Å; P453-C457 PolarHBondContact O-N 3.31Å; P453-C457 PolarHBondContact O-SG 3.37Å; P453-C457 VanDerWaalsContact O-SG 3.37Å; C457-A460 PolarHBondContact O-N 3.09Å; C457-H461 PolarHBondContact O-N 3.17Å; C457-L479 HydrophobicContact CB-CD2 4.15Å; C457-L479 VanDerWaalsContact SG-CD2 3.51Å; C457-S494 VanDerWaalsContact SG-CB 3.57Å; C457-V495 HydrophobicContact CB-CG2 4.27Å
458N97.6Very high97.5Very high36 Ų3633 Ų3319%0.19318%0.175CC..Hα-helixtrans-71-35.4176.9-73.8-52.2000112.7Y442 D454 Y456 H461 C462Y442-N458 HydrophobicContact CD1-CB 4.49Å; Y442-N458 HydrophobicContact CE1-CB 3.73Å; Y442-N458 HydrophobicContact CE2-CB 3.78Å; Y442-N458 WeakPolarHBondContact OH-CB 3.1Å; D454-N458 WeakPolarHBondContact O-CB 3.29Å; D454-N458 PolarHBondContact O-N 3.34Å; D454-N458 PolarHBondContact O-ND2 3.47Å; Y456-N458 PolarHBondContact O-N 3.47Å; N458-H461 PolarHBondContact O-N 3.36Å; N458-C462 PolarHBondContact O-N 3Å; N458-C462 PolarHBondContact O-SG 3.4Å
459L98.3Very high97.5Very high16 Ų1630 Ų308%0.08416%0.159CC..Hα-helixtrans-60.9-48169.8174.858000111I439 Y442 R443 L446 A455 Y456 H461 C462 L463I439-L459 HydrophobicContact CB-CD1 4.15Å; I439-L459 HydrophobicContact CG1-CD1 4.09Å; I439-L459 HydrophobicContact CG2-CD1 3.9Å; Y442-L459 HydrophobicContact CD2-CB 4.28Å; Y442-L459 HydrophobicContact CG-CB 4.16Å; R443-L459 HydrophobicContact CG-CD1 4.39Å; R443-L459 HydrophobicContact CG-CD2 4.05Å; L446-L459 HydrophobicContact CD1-CD2 3.56Å; A455-L459 WeakPolarHBondContact O-CB 3.27Å; A455-L459 PolarHBondContact O-N 3.03Å; Y456-L459 PolarHBondContact O-N 3.35Å; L459-H461 PolarHBondContact O-N 3.32Å; L459-C462 WeakPolarHBondContact O-CB 3.3Å; L459-C462 PolarHBondContact O-N 3.07Å; L459-L463 HydrophobicContact CD1-CD1 3.89Å; L459-L463 HydrophobicContact CD1-CD2 4.43Å; L459-L463 HydrophobicContact CD1-CG 3.95Å; L459-L463 HydrophobicContact CD2-CD1 4.47Å; L459-L463 HydrophobicContact CG-CD1 3.8Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CG 3.19Å; L459-L463 PolarHBondContact O-N 3.22Å
460A98.2Very high97.6Very high1 Ų129.4 Ų29.41%0.00816%0.162CC..Hα-helixtrans-58.6-39.3179.400000111.6Y456 C457 L463 Q464 R475 L479Y456-A460 WeakPolarHBondContact O-CB 3.45Å; Y456-A460 PolarHBondContact O-N 3.14Å; C457-A460 PolarHBondContact O-N 3.09Å; A460-L463 PolarHBondContact O-N 3.02Å; A460-Q464 WeakPolarHBondContact O-CB 3.47Å; A460-Q464 PolarHBondContact O-N 3.18Å; A460-R475 HydrophobicContact CB-CG 4.13Å; A460-L479 HydrophobicContact CB-CD1 3.83Å; A460-L479 HydrophobicContact CB-CD2 3.98Å; A460-L479 HydrophobicContact CB-CG 4.24Å
461H97.9Very high97.6Very high17 Ų1729.4 Ų29.48%0.07916%0.156CC..Hα-helixtrans-66-41.7173.1-174.7-112.8000112.7K430 C457 N458 L459 L463 Q464 I465 H499K430-H461 WeakPolarHBondContact CE-ND1 3.39Å; C457-H461 PolarHBondContact O-N 3.17Å; N458-H461 PolarHBondContact O-N 3.36Å; L459-H461 PolarHBondContact O-N 3.32Å; H461-L463 VanDerWaalsContact C-N 3.31Å; H461-L463 PolarHBondContact O-N 2.9Å; H461-Q464 WeakPolarHBondContact O-CB 3.33Å; H461-Q464 PolarHBondContact O-N 3.49Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.3Å; H461-H499 AromaticContact CD2-CD2 3.55Å; H461-H499 AromaticContact CD2-CE1 3.87Å; H461-H499 AromaticContact CD2-CG 3.64Å; H461-H499 AromaticContact CD2-ND1 3.82Å; H461-H499 AromaticContact CD2-NE2 3.74Å; H461-H499 AromaticContact CE1-CD2 3.78Å; H461-H499 AromaticContact CE1-CE1 3.64Å; H461-H499 AromaticContact CE1-NE2 3.26Å; H461-H499 PolarHBondContact CE1-NE2 3.29Å; H461-H499 VanDerWaalsContact CE1-NE2 3.26Å; H461-H499 AromaticContact CG-CE1 3.71Å; H461-H499 AromaticContact CG-ND1 3.79Å; H461-H499 AromaticContact CG-NE2 3.97Å; H461-H499 AromaticContact ND1-CE1 3.59Å; H461-H499 AromaticContact ND1-NE2 3.71Å; H461-H499 AromaticContact NE2-CD2 3.29Å; H461-H499 PolarHBondContact NE2-CD2 3.17Å; H461-H499 VanDerWaalsContact NE2-CD2 3.29Å; H461-H499 AromaticContact NE2-CE1 3.83Å; H461-H499 AromaticContact NE2-CG 3.9Å; H461-H499 AromaticContact NE2-NE2 3.29Å; H461-H499 PolarHBondContact NE2-NE2 3.39Å
462C98.4Very high97.8Very high0 Ų025.6 Ų25.60%013%0.134CC..Hα-helixtrans-60.3-42.1174.7-66.70000112I435 I439 N458 L459 Q464 I465 V466I435-C462 HydrophobicContact CG2-CB 3.79Å; I435-C462 WeakPolarHBondContact CG2-O 3.27Å; I439-C462 HydrophobicContact CD1-CB 4.27Å; I439-C462 HydrophobicContact CG1-CB 3.61Å; N458-C462 PolarHBondContact O-N 3Å; N458-C462 PolarHBondContact O-SG 3.4Å; L459-C462 WeakPolarHBondContact O-CB 3.3Å; L459-C462 PolarHBondContact O-N 3.07Å; C462-Q464 VanDerWaalsContact C-N 3.33Å; C462-I465 WeakPolarHBondContact O-CB 3.21Å; C462-I465 PolarHBondContact O-N 3.47Å; C462-V466 PolarHBondContact O-N 3.1Å
463L98.6Very high97.9Very high7 Ų730.4 Ų30.44%0.03716%0.16CC..Hα-helixtrans-66.7-35.7176.4-63.8166.7000111.5I439 L459 A460 H461 V466 C467 D468I439-L463 HydrophobicContact CD1-CD2 3.86Å; I439-L463 HydrophobicContact CG1-CD2 4.17Å; I439-L463 HydrophobicContact CG2-CD2 4.16Å; L459-L463 HydrophobicContact CD1-CD1 3.89Å; L459-L463 HydrophobicContact CD1-CD2 4.43Å; L459-L463 HydrophobicContact CD1-CG 3.95Å; L459-L463 HydrophobicContact CD2-CD1 4.47Å; L459-L463 HydrophobicContact CG-CD1 3.8Å; L459-L463 HydrophobicContact CG-CG 4.32Å; L459-L463 WeakPolarHBondContact O-CG 3.19Å; L459-L463 PolarHBondContact O-N 3.22Å; A460-L463 PolarHBondContact O-N 3.02Å; H461-L463 VanDerWaalsContact C-N 3.31Å; H461-L463 PolarHBondContact O-N 2.9Å; L463-V466 PolarHBondContact O-N 3.37Å; L463-C467 WeakPolarHBondContact O-CA 3.32Å; L463-C467 PolarHBondContact O-N 3.36Å; L463-D468 HydrophobicContact CB-CB 4.36Å; L463-D468 HydrophobicContact CD2-CB 3.79Å; L463-D468 PolarHBondContact O-N 3.29Å
464Q98.3Very high97.9Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-63.2-42.6172.2-168.465.324.200111.6A460 H461 C462 V466 C467 L502 Y841 I843A460-Q464 WeakPolarHBondContact O-CB 3.47Å; A460-Q464 PolarHBondContact O-N 3.18Å; H461-Q464 WeakPolarHBondContact O-CB 3.33Å; H461-Q464 PolarHBondContact O-N 3.49Å; C462-Q464 VanDerWaalsContact C-N 3.33Å; Q464-V466 VanDerWaalsContact C-N 3.27Å; Q464-V466 PolarHBondContact O-N 3.38Å; Q464-C467 PolarHBondContact O-N 3.46Å; Q464-C467 VanDerWaalsContact O-N 3.17Å; Q464-L502 HydrophobicContact CG-CD1 4.2Å; Q464-Y841 PolarHBondContact NE2-O 3.09Å; Q464-Y841 WeakPolarHBondContact O-CA 3.49Å; Q464-I843 PolarHBondContact NE2-O 3.07Å
465I98.2Very high98.1Very high28 Ų2832.9 Ų32.914%0.14417%0.166CC..Hα-helixtrans-56.6-40.7177.2-70.1165.9000111.8I435 H461 C462 P869I435-I465 HydrophobicContact CD1-CD1 3.99Å; I435-I465 HydrophobicContact CD1-CG2 4.26Å; I435-I465 HydrophobicContact CG1-CG2 3.91Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.3Å; C462-I465 WeakPolarHBondContact O-CB 3.21Å; C462-I465 PolarHBondContact O-N 3.47Å; I465-P869 HydrophobicContact CG2-CG 3.91Å; I465-P869 VanDerWaalsContact O-CD 3.29Å; I465-P869 WeakPolarHBondContact O-CD 3.49Å
466V98.4Very high98.1Very high8 Ų833.3 Ų33.35%0.04817%0.168CC..THydrogen-bonded Turntrans-96.86.8-178.3-56.20000113.6I435 I439 C462 L463 Q464 D468 P869 V871 G872 N875I435-V466 HydrophobicContact CB-CG1 3.95Å; I435-V466 HydrophobicContact CG2-CG1 3.61Å; I439-V466 HydrophobicContact CD1-CG2 3.88Å; C462-V466 PolarHBondContact O-N 3.1Å; L463-V466 PolarHBondContact O-N 3.37Å; Q464-V466 VanDerWaalsContact C-N 3.27Å; Q464-V466 PolarHBondContact O-N 3.38Å; V466-D468 HydrophobicContact CG2-CB 4Å; V466-D468 PolarHBondContact O-N 2.99Å; V466-P869 HydrophobicContact CG1-CG 4.39Å; V466-V871 HydrophobicContact CG1-CG2 3.76Å; V466-G872 WeakPolarHBondContact O-CA 3.34Å; V466-N875 PolarHBondContact O-ND2 3.47Å
467C98.5Very high98.1Very high0 Ų038.3 Ų38.30%019%0.191CC..THydrogen-bonded Turntrans4941-174.5-63.40000113.9L463 Q464 W469 L840 I876 Y879L463-C467 WeakPolarHBondContact O-CA 3.32Å; L463-C467 PolarHBondContact O-N 3.36Å; Q464-C467 PolarHBondContact O-N 3.46Å; Q464-C467 VanDerWaalsContact O-N 3.17Å; C467-W469 HydrophobicContact CB-CZ2 3.85Å; C467-W469 PolarHBondContact O-N 3.28Å; C467-L840 PolarHBondContact SG-O 3.21Å; C467-I876 HydrophobicContact CB-CD1 3.56Å; C467-I876 HydrophobicContact CB-CG1 4.11Å; C467-Y879 VanDerWaalsContact O-CE2 3.32Å; C467-Y879 WeakPolarHBondContact O-CE2 3.49Å
468D98.5Very high98.1Very high23 Ų2342.7 Ų42.712%0.12321%0.209CC..  trans-83.1101.4166.7-178-13000108.5R443 L463 V466 T470 R475R443-D468 IonicContact NH2-OD2 3.19Å; L463-D468 HydrophobicContact CB-CB 4.36Å; L463-D468 HydrophobicContact CD2-CB 3.79Å; L463-D468 PolarHBondContact O-N 3.29Å; V466-D468 HydrophobicContact CG2-CB 4Å; V466-D468 PolarHBondContact O-N 2.99Å; D468-T470 WeakPolarHBondContact OD1-CB 3.22Å; D468-T470 PolarHBondContact OD1-N 3.39Å; D468-T470 PolarHBondContact OD1-OG1 2.79Å; D468-R475 PolarHBondContact O-NH1 2.99Å; D468-R475 PolarHBondContact O-NH2 3.07Å
469W98.5Very high98.1Very high13 Ų1341 Ų415%0.04920%0.2CC..  trans-96.818.9-178.3-53.2-38000113.2C467 D471 Y472 I843 P845 L848 I876 Y879C467-W469 HydrophobicContact CB-CZ2 3.85Å; C467-W469 PolarHBondContact O-N 3.28Å; W469-D471 PolarHBondContact O-N 3.19Å; W469-Y472 HydrophobicContact CB-CD2 4.3Å; W469-Y472 HydrophobicContact CB-CG 4.49Å; W469-Y472 AromaticContact CD1-CD2 3.84Å; W469-Y472 HydrophobicContact CG-CD2 4.31Å; W469-Y472 WeakPolarHBondContact O-CB 3.49Å; W469-Y472 PolarHBondContact O-N 3.27Å; W469-Y472 VanDerWaalsContact O-N 3.15Å; W469-I843 HydrophobicContact CH2-CG2 3.87Å; W469-I843 HydrophobicContact CZ2-CB 4.3Å; W469-I843 HydrophobicContact CZ2-CG2 3.81Å; W469-P845 HydrophobicContact CB-CG 3.93Å; W469-P845 HydrophobicContact CD2-CB 4.41Å; W469-P845 HydrophobicContact CD2-CG 3.63Å; W469-P845 HydrophobicContact CE3-CB 4.16Å; W469-P845 HydrophobicContact CE3-CG 3.86Å; W469-P845 HydrophobicContact CG-CG 3.67Å; W469-L848 HydrophobicContact CH2-CB 3.76Å; W469-L848 HydrophobicContact CH2-CD2 3.74Å; W469-L848 HydrophobicContact CH2-CG 4.34Å; W469-L848 HydrophobicContact CZ3-CB 4.02Å; W469-L848 HydrophobicContact CZ3-CD2 3.56Å; W469-L848 HydrophobicContact CZ3-CG 4.43Å; W469-I876 HydrophobicContact CH2-CD1 3.69Å; W469-I876 HydrophobicContact CZ2-CD1 3.95Å; W469-I876 HydrophobicContact CZ3-CD1 4.47Å; W469-Y879 WeakPolarHBondContact CA-OH 3.43Å; W469-Y879 HydrophobicContact CB-CE1 4.18Å; W469-Y879 HydrophobicContact CB-CE2 3.99Å; W469-Y879 HydrophobicContact CD2-CD2 4.03Å; W469-Y879 HydrophobicContact CD2-CE2 4.02Å; W469-Y879 AromaticContact CE3-CD1 3.98Å; W469-Y879 HydrophobicContact CE3-CD1 3.98Å; W469-Y879 AromaticContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CE1 4.31Å; W469-Y879 AromaticContact CE3-CE2 3.72Å; W469-Y879 HydrophobicContact CE3-CE2 3.72Å; W469-Y879 AromaticContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CG-CE2 4.17Å; W469-Y879 AromaticContact CZ3-CD2 3.74Å; W469-Y879 HydrophobicContact CZ3-CD2 3.74Å; W469-Y879 AromaticContact CZ3-CG 3.8Å; W469-Y879 HydrophobicContact CZ3-CG 3.8Å; W469-Y879 PolarHBondContact N-OH 2.96Å
470T97.7Very high98.1Very high73 Ų7342.3 Ų42.345%0.44821%0.209SC..THydrogen-bonded Turntrans-59.5123.9171.8-51.40000109.1D468 Y472 R475 Y879D468-T470 WeakPolarHBondContact OD1-CB 3.22Å; D468-T470 PolarHBondContact OD1-N 3.39Å; D468-T470 PolarHBondContact OD1-OG1 2.79Å; T470-Y472 VanDerWaalsContact C-N 3.25Å; T470-Y472 PolarHBondContact O-N 2.89Å; T470-R475 PolarHBondContact O-NH2 3.22Å; T470-Y879 PolarHBondContact N-OH 3.23Å
471D97Very high98.1Very high111 Ų11145 Ų4559%0.59423%0.227SC*.THydrogen-bonded Turntrans57.832.2-176.2-46-43.4000114.3W469 D473 E474 R475W469-D471 PolarHBondContact O-N 3.19Å; D471-D473 PolarHBondContact O-N 3.06Å; D471-E474 PolarHBondContact O-N 3Å; D471-R475 VanDerWaalsContact O-CB 3.31Å; D471-R475 WeakPolarHBondContact O-CB 3.23Å; D471-R475 PolarHBondContact O-N 3.45Å
472Y98.3Very high98.1Very high31 Ų3144.5 Ų44.512%0.12223%0.226CC..Hα-helixtrans-51.9-52-174.6-176.4-97.1000113.6W469 T470 E474 R475 M476 P845W469-Y472 HydrophobicContact CB-CD2 4.3Å; W469-Y472 HydrophobicContact CB-CG 4.49Å; W469-Y472 AromaticContact CD1-CD2 3.84Å; W469-Y472 HydrophobicContact CG-CD2 4.31Å; W469-Y472 WeakPolarHBondContact O-CB 3.49Å; W469-Y472 PolarHBondContact O-N 3.27Å; W469-Y472 VanDerWaalsContact O-N 3.15Å; T470-Y472 VanDerWaalsContact C-N 3.25Å; T470-Y472 PolarHBondContact O-N 2.89Å; Y472-E474 PolarHBondContact O-N 3.43Å; Y472-R475 WeakPolarHBondContact O-CB 3.45Å; Y472-R475 PolarHBondContact O-N 3.18Å; Y472-M476 HydrophobicContact CD1-CG 4.07Å; Y472-M476 HydrophobicContact CD2-CE 4.09Å; Y472-M476 HydrophobicContact CE1-CG 3.75Å; Y472-M476 HydrophobicContact CE2-CE 3.8Å; Y472-M476 HydrophobicContact CE2-CG 4.27Å; Y472-M476 HydrophobicContact CE2-SD 4.31Å; Y472-M476 HydrophobicContact CG-CG 4.47Å; Y472-M476 VanDerWaalsContact O-CG 3.31Å; Y472-M476 WeakPolarHBondContact O-CG 3.43Å; Y472-M476 PolarHBondContact O-N 3.17Å; Y472-P845 HydrophobicContact CD1-CG 3.98Å; Y472-P845 HydrophobicContact CD2-CG 4.25Å; Y472-P845 HydrophobicContact CE1-CG 4.25Å; Y472-P845 HydrophobicContact CG-CG 3.98Å
473D97.2Very high98.1Very high116 Ų11644.5 Ų44.562%0.6223%0.226SC*.Hα-helixtrans-66.4-39.2-175.6-67.9-27.6000112.7D471 M476 K477D471-D473 PolarHBondContact O-N 3.06Å; D473-M476 PolarHBondContact O-N 2.65Å; D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.46Å; D473-K477 PolarHBondContact O-N 3.49Å
474E98.1Very high98Very high138 Ų13845.9 Ų45.965%0.64524%0.238SC*.Hα-helixtrans-64.9-43.6175.1-174.1176.1172.800110.5D471 Y472 M476 K477 K478D471-E474 PolarHBondContact O-N 3Å; Y472-E474 PolarHBondContact O-N 3.43Å; E474-M476 PolarHBondContact O-N 3.16Å; E474-K477 PolarHBondContact O-N 3.41Å; E474-K478 WeakPolarHBondContact O-CB 3.42Å; E474-K478 PolarHBondContact O-N 3.2Å
475R97.9Very high98Very high18 Ų1848.6 Ų48.67%0.06825%0.251CS..Hα-helixtrans-60.1-45.7176.3-165.3-166.5-50.4164.6-2112Y456 A460 D468 T470 D471 Y472 K478 L479Y456-R475 HydrophobicContact CE1-CG 4.23Å; Y456-R475 WeakPolarHBondContact OH-CA 3.21Å; A460-R475 HydrophobicContact CB-CG 4.13Å; D468-R475 PolarHBondContact O-NH1 2.99Å; D468-R475 PolarHBondContact O-NH2 3.07Å; T470-R475 PolarHBondContact O-NH2 3.22Å; D471-R475 VanDerWaalsContact O-CB 3.31Å; D471-R475 WeakPolarHBondContact O-CB 3.23Å; D471-R475 PolarHBondContact O-N 3.45Å; Y472-R475 WeakPolarHBondContact O-CB 3.45Å; Y472-R475 PolarHBondContact O-N 3.18Å; R475-K478 PolarHBondContact O-N 3.37Å; R475-L479 WeakPolarHBondContact O-CG 3.12Å; R475-L479 PolarHBondContact O-N 3.26Å
476M98.2Very high97.9Very high9 Ų948.1 Ų48.14%0.04425%0.247CC..Hα-helixtrans-63.3-44.6177.2-67.8-52.5115.200111.6Y472 D473 E474 K478 L479 V480 Y503 P504Y472-M476 HydrophobicContact CD1-CG 4.07Å; Y472-M476 HydrophobicContact CD2-CE 4.09Å; Y472-M476 HydrophobicContact CE1-CG 3.75Å; Y472-M476 HydrophobicContact CE2-CE 3.8Å; Y472-M476 HydrophobicContact CE2-CG 4.27Å; Y472-M476 HydrophobicContact CE2-SD 4.31Å; Y472-M476 HydrophobicContact CG-CG 4.47Å; Y472-M476 VanDerWaalsContact O-CG 3.31Å; Y472-M476 WeakPolarHBondContact O-CG 3.43Å; Y472-M476 PolarHBondContact O-N 3.17Å; D473-M476 PolarHBondContact O-N 2.65Å; E474-M476 PolarHBondContact O-N 3.16Å; M476-K478 VanDerWaalsContact C-N 3.33Å; M476-K478 PolarHBondContact O-N 2.97Å; M476-L479 HydrophobicContact CE-CD1 3.88Å; M476-L479 PolarHBondContact O-N 3.18Å; M476-L479 HydrophobicContact SD-CD1 4.06Å; M476-V480 WeakPolarHBondContact O-CG2 3.4Å; M476-V480 PolarHBondContact O-N 2.86Å; M476-Y503 HydrophobicContact CE-CD1 4.35Å; M476-Y503 HydrophobicContact CE-CE1 4.49Å; M476-Y503 HydrophobicContact SD-CD1 3.81Å; M476-P504 HydrophobicContact CB-CG 4.14Å
477K98.1Very high97.8Very high156 Ų15649 Ų4968%0.67825%0.252SS*.Hα-helixtrans-59.7-43175.3-74.8172.5-177.1174.30111.8D473 E474 V480 S481D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.46Å; D473-K477 PolarHBondContact O-N 3.49Å; E474-K477 PolarHBondContact O-N 3.41Å; K477-V480 PolarHBondContact O-N 2.91Å; K477-S481 PolarHBondContact O-N 3.4Å
478K97.7Very high97.7Very high95 Ų9557 Ų5741%0.41329%0.289SS..Hα-helixtrans-66.8-39.2178.6-172.260.1177.2174.40112Y456 E474 R475 M476 S481 I482Y456-K478 HydrophobicContact CD1-CG 4.49Å; Y456-K478 HydrophobicContact CE1-CB 3.98Å; Y456-K478 HydrophobicContact CE1-CG 3.8Å; Y456-K478 HydrophobicContact CE2-CG 4.24Å; Y456-K478 WeakPolarHBondContact OH-CB 3.31Å; E474-K478 WeakPolarHBondContact O-CB 3.42Å; E474-K478 PolarHBondContact O-N 3.2Å; R475-K478 PolarHBondContact O-N 3.37Å; M476-K478 VanDerWaalsContact C-N 3.33Å; M476-K478 PolarHBondContact O-N 2.97Å; K478-S481 WeakPolarHBondContact O-CB 3.4Å; K478-S481 PolarHBondContact O-N 3.25Å; K478-I482 HydrophobicContact CG-CD1 4.06Å; K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.45Å; K478-I482 PolarHBondContact O-N 2.76Å
479L97.6Very high97.4Very high1 Ų162 Ų621%0.00531%0.31CS..Hα-helixtrans-58.6-46.3172.6-75.7172.3000112.1Y456 C457 A460 R475 M476 S481 I482 V483 Y503Y456-L479 HydrophobicContact CD1-CD2 4.02Å; Y456-L479 HydrophobicContact CE1-CD2 4.16Å; Y456-L479 HydrophobicContact CE1-CG 4.19Å; C457-L479 HydrophobicContact CB-CD2 4.15Å; C457-L479 VanDerWaalsContact SG-CD2 3.51Å; A460-L479 HydrophobicContact CB-CD1 3.83Å; A460-L479 HydrophobicContact CB-CD2 3.98Å; A460-L479 HydrophobicContact CB-CG 4.24Å; R475-L479 WeakPolarHBondContact O-CG 3.12Å; R475-L479 PolarHBondContact O-N 3.26Å; M476-L479 HydrophobicContact CE-CD1 3.88Å; M476-L479 PolarHBondContact O-N 3.18Å; M476-L479 HydrophobicContact SD-CD1 4.06Å; L479-S481 VanDerWaalsContact C-N 3.31Å; L479-S481 PolarHBondContact O-N 3.48Å; L479-I482 PolarHBondContact O-N 2.65Å; L479-V483 WeakPolarHBondContact O-CG2 3.37Å; L479-V483 PolarHBondContact O-N 3.17Å; L479-Y503 HydrophobicContact CD1-CD1 3.73Å; L479-Y503 HydrophobicContact CD1-CD2 4.31Å; L479-Y503 HydrophobicContact CD1-CE1 3.72Å; L479-Y503 HydrophobicContact CD1-CE2 4.28Å; L479-Y503 HydrophobicContact CD1-CG 4.05Å
480V98.3Very high97Very high44 Ų4466.9 Ų66.927%0.26734%0.337SS..Hα-helixtrans-60.6-43.3177.2174.90000110.7M476 K477 V483 A484 P504 L505 F509M476-V480 WeakPolarHBondContact O-CG2 3.4Å; M476-V480 PolarHBondContact O-N 2.86Å; K477-V480 PolarHBondContact O-N 2.91Å; V480-V483 PolarHBondContact O-N 3.25Å; V480-A484 WeakPolarHBondContact O-CB 3.5Å; V480-A484 PolarHBondContact O-N 2.98Å; V480-P504 HydrophobicContact CG2-CG 4.43Å; V480-L505 HydrophobicContact CB-CD2 4.5Å; V480-L505 HydrophobicContact CG2-CD2 4.05Å; V480-F509 HydrophobicContact CG1-CE2 4.45Å
481S98.1Very high96.5Very high56 Ų5671.5 Ų71.539%0.39235%0.346SS..Hα-helixtrans-62.3-43.8176.11780000112.7K477 K478 L479 A484 E485K477-S481 PolarHBondContact O-N 3.4Å; K478-S481 WeakPolarHBondContact O-CB 3.4Å; K478-S481 PolarHBondContact O-N 3.25Å; L479-S481 VanDerWaalsContact C-N 3.31Å; L479-S481 PolarHBondContact O-N 3.48Å; S481-A484 PolarHBondContact O-N 3.05Å; S481-E485 WeakPolarHBondContact O-CB 3.32Å; S481-E485 PolarHBondContact O-N 3.41Å
482I97.9Very high96.1Very high8 Ų869.9 Ų69.94%0.04134%0.337CS..Hα-helixtrans-61.3-47.1177.9-73.8165.8000110.3P453 Y456 K478 L479 A484 E485 Q486P453-I482 HydrophobicContact CB-CG2 3.7Å; P453-I482 HydrophobicContact CG-CG2 4.32Å; Y456-I482 HydrophobicContact CD1-CD1 3.47Å; Y456-I482 VanDerWaalsContact CD1-CD1 3.47Å; Y456-I482 HydrophobicContact CE1-CD1 4.11Å; Y456-I482 HydrophobicContact CG-CD1 3.88Å; K478-I482 HydrophobicContact CG-CD1 4.06Å; K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.45Å; K478-I482 PolarHBondContact O-N 2.76Å; L479-I482 PolarHBondContact O-N 2.65Å; I482-A484 VanDerWaalsContact C-N 3.35Å; I482-A484 PolarHBondContact O-N 3.27Å; I482-E485 PolarHBondContact O-N 3.4Å; I482-Q486 HydrophobicContact CG2-CG 4.35Å; I482-Q486 WeakPolarHBondContact O-CB 3.47Å; I482-Q486 VanDerWaalsContact O-CG 3.27Å; I482-Q486 WeakPolarHBondContact O-CG 3.49Å; I482-Q486 PolarHBondContact O-N 3.18Å
483V97.9Very high96Very high0 Ų068.6 Ų68.60%033%0.332CS..Hα-helixtrans-61.7-44.6178.8170.50000110.9L479 V480 E485 Q486 L487 V495 L505 F509 I513L479-V483 WeakPolarHBondContact O-CG2 3.37Å; L479-V483 PolarHBondContact O-N 3.17Å; V480-V483 PolarHBondContact O-N 3.25Å; V483-E485 PolarHBondContact O-N 3.45Å; V483-Q486 PolarHBondContact O-N 3.44Å; V483-L487 HydrophobicContact CG1-CD1 3.85Å; V483-L487 HydrophobicContact CG1-CG 4.31Å; V483-L487 WeakPolarHBondContact O-CB 3.25Å; V483-L487 VanDerWaalsContact O-CG 3.3Å; V483-L487 WeakPolarHBondContact O-CG 3.37Å; V483-L487 PolarHBondContact O-N 2.95Å; V483-V495 HydrophobicContact CG2-CB 4.15Å; V483-V495 HydrophobicContact CG2-CG2 3.69Å; V483-L505 HydrophobicContact CB-CD2 4.09Å; V483-L505 HydrophobicContact CG1-CD2 4.11Å; V483-L505 HydrophobicContact CG2-CD2 4.1Å; V483-F509 HydrophobicContact CG1-CB 4.39Å; V483-F509 HydrophobicContact CG1-CD2 3.93Å; V483-F509 HydrophobicContact CG1-CG 4.31Å; V483-I513 HydrophobicContact CG1-CD1 3.9Å; V483-I513 HydrophobicContact CG1-CG1 4.24Å; V483-I513 HydrophobicContact CG2-CD1 4.41Å
484A98Very high95.9Very high35 Ų3563.6 Ų63.629%0.28931%0.307SS..Hα-helixtrans-58.3-48.9177.900000111.5V480 S481 I482 Q486 L487 E488 F509V480-A484 WeakPolarHBondContact O-CB 3.5Å; V480-A484 PolarHBondContact O-N 2.98Å; S481-A484 PolarHBondContact O-N 3.05Å; I482-A484 VanDerWaalsContact C-N 3.35Å; I482-A484 PolarHBondContact O-N 3.27Å; A484-Q486 PolarHBondContact O-N 3.39Å; A484-L487 PolarHBondContact O-N 3.41Å; A484-E488 WeakPolarHBondContact O-CB 3.06Å; A484-E488 PolarHBondContact O-N 3.03Å; A484-F509 HydrophobicContact CB-CE2 3.93Å; A484-F509 HydrophobicContact CB-CZ 3.87Å
485E97.5Very high95.9Very high58 Ų5857.1 Ų57.127%0.27128%0.277SS..Hα-helixtrans-62.9-42.1179.5-175.6-175.8166.400112.3S481 I482 V483 E488 K489S481-E485 WeakPolarHBondContact O-CB 3.32Å; S481-E485 PolarHBondContact O-N 3.41Å; I482-E485 PolarHBondContact O-N 3.4Å; V483-E485 PolarHBondContact O-N 3.45Å; E485-E488 PolarHBondContact O-N 2.86Å; E485-K489 HydrophobicContact CG-CD 4.02Å; E485-K489 WeakPolarHBondContact O-CB 3.4Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.19Å; E485-K489 WeakPolarHBondContact OE1-CE 3.45Å; E485-K489 IonicContact OE1-NZ 2.82Å; E485-K489 PolarHBondContact OE1-NZ 3.49Å
486Q96.6Very high95.8Very high17 Ų1759.3 Ų59.38%0.07929%0.287CS..Hα-helixtrans-65.7-42.7178.6-73.9179.8-39.300112.2P453 I482 V483 A484 K489 N490 R491 S494P453-Q486 VanDerWaalsContact CB-NE2 3.32Å; I482-Q486 HydrophobicContact CG2-CG 4.35Å; I482-Q486 WeakPolarHBondContact O-CB 3.47Å; I482-Q486 VanDerWaalsContact O-CG 3.27Å; I482-Q486 WeakPolarHBondContact O-CG 3.49Å; I482-Q486 PolarHBondContact O-N 3.18Å; V483-Q486 PolarHBondContact O-N 3.44Å; A484-Q486 PolarHBondContact O-N 3.39Å; Q486-K489 CarbonylContact O-C 3.06Å; Q486-K489 PolarHBondContact O-N 2.99Å; Q486-N490 PolarHBondContact O-N 2.93Å; Q486-N490 VanDerWaalsContact O-N 3.15Å; Q486-R491 HydrophobicContact CB-CB 4.3Å; Q486-R491 PolarHBondContact O-N 2.99Å; Q486-S494 PolarHBondContact NE2-OG 2.76Å
487L95.2Very high95.7Very high26 Ų2658.9 Ų58.914%0.13629%0.286CS..Hα-helixtrans-64.1-42.7176.7-71.3176.3000111.3V483 A484 N490 P493 F509 A512 R516V483-L487 HydrophobicContact CG1-CD1 3.85Å; V483-L487 HydrophobicContact CG1-CG 4.31Å; V483-L487 WeakPolarHBondContact O-CB 3.25Å; V483-L487 VanDerWaalsContact O-CG 3.3Å; V483-L487 WeakPolarHBondContact O-CG 3.37Å; V483-L487 PolarHBondContact O-N 2.95Å; A484-L487 PolarHBondContact O-N 3.41Å; L487-N490 PolarHBondContact O-N 2.88Å; L487-P493 HydrophobicContact CD2-CG 3.76Å; L487-P493 HydrophobicContact CG-CG 4.41Å; L487-F509 HydrophobicContact CD1-CB 4.46Å; L487-F509 HydrophobicContact CD1-CD1 3.89Å; L487-F509 HydrophobicContact CD1-CE1 4.29Å; L487-F509 HydrophobicContact CD1-CG 4.13Å; L487-A512 HydrophobicContact CD1-CB 4.02Å; L487-A512 HydrophobicContact CD2-CB 3.94Å; L487-R516 HydrophobicContact CD2-CG 4.3Å
488E96.4Very high95.6Very high169 Ų16954 Ų5479%0.7927%0.265SS*.Hα-helixtrans-61.2-44175.4-174.8179.9-177.600111.8A484 E485 N490A484-E488 WeakPolarHBondContact O-CB 3.06Å; A484-E488 PolarHBondContact O-N 3.03Å; E485-E488 PolarHBondContact O-N 2.86Å; E488-N490 PolarHBondContact O-N 2.92Å
489K93.1Very high95.5Very high128 Ų12850.4 Ų50.456%0.55725%0.25SC*.THydrogen-bonded Turntrans-78.27.8177.6-67.9179.5178.9177.20114E485 Q486 R491E485-K489 HydrophobicContact CG-CD 4.02Å; E485-K489 WeakPolarHBondContact O-CB 3.4Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.19Å; E485-K489 WeakPolarHBondContact OE1-CE 3.45Å; E485-K489 IonicContact OE1-NZ 2.82Å; E485-K489 PolarHBondContact OE1-NZ 3.49Å; Q486-K489 CarbonylContact O-C 3.06Å; Q486-K489 PolarHBondContact O-N 2.99Å; K489-R491 HydrophobicContact CB-CG 3.99Å; K489-R491 PolarHBondContact O-N 3.26Å; K489-R491 VanDerWaalsContact O-N 3.14Å
490N89.8Confident95.5Very high115 Ų11550.8 Ų50.862%0.61525%0.252SS*.THydrogen-bonded Turntrans55.528.2-178-161.542000114Q486 L487 E488 R516Q486-N490 PolarHBondContact O-N 2.93Å; Q486-N490 VanDerWaalsContact O-N 3.15Å; L487-N490 PolarHBondContact O-N 2.88Å; E488-N490 PolarHBondContact O-N 2.92Å; N490-R516 PolarHBondContact O-NH1 2.92Å; N490-R516 PolarHBondContact OD1-NH1 3.39Å; N490-R516 PolarHBondContact OD1-NH2 2.88Å
491R86.7Confident95.3Very high170 Ų17049.3 Ų49.364%0.64224%0.242SC*.PPolyproline II helixtrans-88.4154.3177.9-64-69.4-68.5-150.9-3.1110.4Q486 K489 P493Q486-R491 HydrophobicContact CB-CB 4.3Å; Q486-R491 PolarHBondContact O-N 2.99Å; K489-R491 HydrophobicContact CB-CG 3.99Å; K489-R491 PolarHBondContact O-N 3.26Å; K489-R491 VanDerWaalsContact O-N 3.14Å; R491-P493 WeakPolarHBondContact O-CD 3.26Å
492L89.5Confident95.2Very high77 Ų7746.7 Ų46.740%0.40322%0.224SC..PPolyproline II helixtrans-60.7125.7168.6-178.667.8000109S494 R516 L520L492-S494 PolarHBondContact O-N 3.36Å; L492-R516 HydrophobicContact CD1-CB 4.14Å; L492-L520 HydrophobicContact CD1-CD1 3.6Å; L492-L520 HydrophobicContact CD1-CD2 4.29Å; L492-L520 HydrophobicContact CD1-CG 3.97Å; L492-L520 HydrophobicContact CD2-CD1 3.72Å; L492-L520 HydrophobicContact CD2-CD2 4.37Å; L492-L520 HydrophobicContact CG-CD1 4.31Å
493P95.8Very high95.1Very high4 Ų446.5 Ų46.53%0.02622%0.223CC..PPolyproline II helixtrans-63.3135.8176.7-27.438.9000112.1L487 R491 V495 I513 R516L487-P493 HydrophobicContact CD2-CG 3.76Å; L487-P493 HydrophobicContact CG-CG 4.41Å; R491-P493 WeakPolarHBondContact O-CD 3.26Å; P493-V495 PolarHBondContact O-N 3.45Å; P493-I513 HydrophobicContact CB-CG1 3.83Å; P493-I513 HydrophobicContact CB-CG2 4.37Å; P493-I513 HydrophobicContact CG-CB 4.44Å; P493-I513 HydrophobicContact CG-CG1 3.9Å; P493-R516 HydrophobicContact CG-CB 4.49Å; P493-R516 HydrophobicContact CG-CG 4.29Å
494S95.9Very high95Very high12 Ų1250.5 Ų50.58%0.08425%0.249CC..SBendtrans-70.3-19.8176.2-64.20000112.8D454 C457 Q486 L492 H496D454-S494 WeakPolarHBondContact CA-OG 3.4Å; D454-S494 PolarHBondContact N-OG 3.38Å; D454-S494 VanDerWaalsContact OD1-CB 3.25Å; D454-S494 WeakPolarHBondContact OD1-CB 3.28Å; D454-S494 PolarHBondContact OD1-OG 2.51Å; C457-S494 VanDerWaalsContact SG-CB 3.57Å; Q486-S494 PolarHBondContact NE2-OG 2.76Å; L492-S494 PolarHBondContact O-N 3.36Å; S494-H496 PolarHBondContact O-N 3.24Å
495V97.5Very high94.9Very high2 Ų249.2 Ų49.21%0.01224%0.237CC..SBendtrans-81112.1173.7172.30000109.1C457 V483 P493 H499 Y503 L505 I513C457-V495 HydrophobicContact CB-CG2 4.27Å; V483-V495 HydrophobicContact CG2-CB 4.15Å; V483-V495 HydrophobicContact CG2-CG2 3.69Å; P493-V495 PolarHBondContact O-N 3.45Å; V495-H499 HydrophobicContact CG1-CB 4.33Å; V495-Y503 HydrophobicContact CB-CE2 4.49Å; V495-Y503 HydrophobicContact CG1-CD2 3.78Å; V495-Y503 HydrophobicContact CG1-CE2 3.74Å; V495-Y503 HydrophobicContact CG2-CD2 4.12Å; V495-Y503 HydrophobicContact CG2-CE2 3.96Å; V495-L505 HydrophobicContact CG1-CD1 4.44Å; V495-I513 HydrophobicContact CB-CD1 4.36Å; V495-I513 HydrophobicContact CG1-CD1 4.28Å; V495-I513 WeakPolarHBondContact O-CG2 3.38Å
496H95.8Very high94.9Very high63 Ų6349.3 Ų49.329%0.29225%0.245SC..  trans-60.8143.9171.9-172.2-98.2000111.5S494 H498 H499 S500 Y632S494-H496 PolarHBondContact O-N 3.24Å; H496-H498 VanDerWaalsContact C-N 3.28Å; H496-H498 WeakPolarHBondContact ND1-CB 3.49Å; H496-H498 PolarHBondContact ND1-N 3.37Å; H496-H498 PolarHBondContact O-N 3.5Å; H496-H498 VanDerWaalsContact O-N 3.17Å; H496-H499 PolarHBondContact O-N 3.5Å; H496-S500 PolarHBondContact O-N 3.06Å; H496-Y632 PolarHBondContact CE1-O 3.07Å; H496-Y632 VanDerWaalsContact CE1-O 3.3Å
497P97.3Very high94.9Very high1 Ų150 Ų501%0.00625%0.248CC..G310 helixtrans-53.2-41.7-177.4-28.534.2000113.6H499 S500 I513 H517 Y632 Y655P497-H499 PolarHBondContact O-N 2.88Å; P497-S500 VanDerWaalsContact O-CB 3.26Å; P497-S500 WeakPolarHBondContact O-CB 3.5Å; P497-S500 PolarHBondContact O-N 3.28Å; P497-S500 PolarHBondContact O-OG 3.25Å; P497-I513 HydrophobicContact CB-CG2 4.49Å; P497-I513 HydrophobicContact CG-CG2 4.06Å; P497-H517 HydrophobicContact CG-CB 3.81Å; P497-Y632 HydrophobicContact CB-CD2 3.35Å; P497-Y632 HydrophobicContact CB-CE2 3.94Å; P497-Y632 HydrophobicContact CB-CG 3.72Å; P497-Y632 HydrophobicContact CG-CD1 4.11Å; P497-Y632 HydrophobicContact CG-CD2 3.63Å; P497-Y632 HydrophobicContact CG-CE1 4.43Å; P497-Y632 HydrophobicContact CG-CE2 3.94Å; P497-Y632 HydrophobicContact CG-CG 3.72Å; P497-Y655 VanDerWaalsContact CB-OH 3.23Å; P497-Y655 WeakPolarHBondContact CB-OH 3.32Å; P497-Y655 PolarHBondContact O-OH 2.99Å
498H94.7Very high95Very high52 Ų5250.9 Ų50.924%0.24126%0.262CS..G310 helixtrans-61.8-27.4177-166.773.8000113.8H496 M501 Y655H496-H498 VanDerWaalsContact C-N 3.28Å; H496-H498 WeakPolarHBondContact ND1-CB 3.49Å; H496-H498 PolarHBondContact ND1-N 3.37Å; H496-H498 PolarHBondContact O-N 3.5Å; H496-H498 VanDerWaalsContact O-N 3.17Å; H498-M501 VanDerWaalsContact O-CG 3.28Å; H498-M501 WeakPolarHBondContact O-CG 3.16Å; H498-Y655 HydrophobicContact CB-CE2 4.02Å; H498-Y655 PolarHBondContact N-OH 3.26Å; H498-Y655 AromaticContact ND1-CD2 3.97Å; H498-Y655 AromaticContact ND1-CE2 3.75Å
499H96.6Very high95.1Very high21 Ų2145.6 Ų45.610%0.09724%0.237CC..G310 helixtrans-85.7-16.8177.7-51.9157.4000112H461 V495 H496 P497 M501 L502 Y503H461-H499 AromaticContact CD2-CD2 3.55Å; H461-H499 AromaticContact CD2-CE1 3.87Å; H461-H499 AromaticContact CD2-CG 3.64Å; H461-H499 AromaticContact CD2-ND1 3.82Å; H461-H499 AromaticContact CD2-NE2 3.74Å; H461-H499 AromaticContact CE1-CD2 3.78Å; H461-H499 AromaticContact CE1-CE1 3.64Å; H461-H499 AromaticContact CE1-NE2 3.26Å; H461-H499 PolarHBondContact CE1-NE2 3.29Å; H461-H499 VanDerWaalsContact CE1-NE2 3.26Å; H461-H499 AromaticContact CG-CE1 3.71Å; H461-H499 AromaticContact CG-ND1 3.79Å; H461-H499 AromaticContact CG-NE2 3.97Å; H461-H499 AromaticContact ND1-CE1 3.59Å; H461-H499 AromaticContact ND1-NE2 3.71Å; H461-H499 AromaticContact NE2-CD2 3.29Å; H461-H499 PolarHBondContact NE2-CD2 3.17Å; H461-H499 VanDerWaalsContact NE2-CD2 3.29Å; H461-H499 AromaticContact NE2-CE1 3.83Å; H461-H499 AromaticContact NE2-CG 3.9Å; H461-H499 AromaticContact NE2-NE2 3.29Å; H461-H499 PolarHBondContact NE2-NE2 3.39Å; V495-H499 HydrophobicContact CG1-CB 4.33Å; H496-H499 PolarHBondContact O-N 3.5Å; P497-H499 PolarHBondContact O-N 2.88Å; H499-M501 PolarHBondContact O-N 3.49Å; H499-M501 VanDerWaalsContact O-N 3.15Å; H499-L502 VanDerWaalsContact O-CB 3.31Å; H499-L502 WeakPolarHBondContact O-CB 3.44Å; H499-L502 PolarHBondContact O-N 3.04Å; H499-Y503 HydrophobicContact CB-CE2 3.89Å; H499-Y503 WeakPolarHBondContact O-CD2 3.43Å
500S96.6Very high95.3Very high8 Ų841.1 Ų41.16%0.05622%0.217CC..G310 helixtrans-61.2-26.4-174.674.40000113.9H496 P497 L502 Y503 R510H496-S500 PolarHBondContact O-N 3.06Å; P497-S500 VanDerWaalsContact O-CB 3.26Å; P497-S500 WeakPolarHBondContact O-CB 3.5Å; P497-S500 PolarHBondContact O-N 3.28Å; P497-S500 PolarHBondContact O-OG 3.25Å; S500-L502 VanDerWaalsContact C-N 3.27Å; S500-L502 PolarHBondContact O-N 2.89Å; S500-Y503 PolarHBondContact O-N 3.35Å; S500-R510 PolarHBondContact O-NE 2.89Å
501M94Very high95.7Very high13 Ų1338.9 Ų38.96%0.06420%0.201CC..G310 helixtrans-70.7-19.8174.359-172.4-79.800113.7H498 H499 Y503 P656 L916 C917 A942H498-M501 VanDerWaalsContact O-CG 3.28Å; H498-M501 WeakPolarHBondContact O-CG 3.16Å; H499-M501 PolarHBondContact O-N 3.49Å; H499-M501 VanDerWaalsContact O-N 3.15Å; M501-Y503 VanDerWaalsContact C-N 3.32Å; M501-P656 HydrophobicContact SD-CG 4.22Å; M501-L916 WeakPolarHBondContact O-CD1 3.5Å; M501-C917 HydrophobicContact CE-CB 3.36Å; M501-C917 WeakPolarHBondContact CE-SG 3.41Å; M501-A942 HydrophobicContact CE-CB 3.19Å; M501-A942 HydrophobicContact SD-CB 3.91Å
502L95.4Very high96.2Very high2 Ų231.8 Ų31.81%0.0118%0.179CC..G310 helixtrans-83.9-14.8-179.6-51.7-179.9000112.3Q464 H499 S500 Y841 L916Q464-L502 HydrophobicContact CG-CD1 4.2Å; H499-L502 VanDerWaalsContact O-CB 3.31Å; H499-L502 WeakPolarHBondContact O-CB 3.44Å; H499-L502 PolarHBondContact O-N 3.04Å; S500-L502 VanDerWaalsContact C-N 3.27Å; S500-L502 PolarHBondContact O-N 2.89Å; L502-Y841 HydrophobicContact CD1-CD2 3.72Å; L502-Y841 HydrophobicContact CD1-CE2 4.25Å; L502-Y841 HydrophobicContact CD2-CD2 3.6Å; L502-Y841 HydrophobicContact CD2-CE2 3.75Å; L502-Y841 HydrophobicContact CG-CD2 4.32Å; L502-L916 HydrophobicContact CD2-CD2 4.34Å
503Y96.8Very high96.6Very high3 Ų328.1 Ų28.11%0.01216%0.16CC..THydrogen-bonded Turntrans-112.2148.5-173.4-50-40.1000110.4M476 L479 V495 H499 S500 M501 L505 R510M476-Y503 HydrophobicContact CE-CD1 4.35Å; M476-Y503 HydrophobicContact CE-CE1 4.49Å; M476-Y503 HydrophobicContact SD-CD1 3.81Å; L479-Y503 HydrophobicContact CD1-CD1 3.73Å; L479-Y503 HydrophobicContact CD1-CD2 4.31Å; L479-Y503 HydrophobicContact CD1-CE1 3.72Å; L479-Y503 HydrophobicContact CD1-CE2 4.28Å; L479-Y503 HydrophobicContact CD1-CG 4.05Å; V495-Y503 HydrophobicContact CB-CE2 4.49Å; V495-Y503 HydrophobicContact CG1-CD2 3.78Å; V495-Y503 HydrophobicContact CG1-CE2 3.74Å; V495-Y503 HydrophobicContact CG2-CD2 4.12Å; V495-Y503 HydrophobicContact CG2-CE2 3.96Å; H499-Y503 HydrophobicContact CB-CE2 3.89Å; H499-Y503 WeakPolarHBondContact O-CD2 3.43Å; S500-Y503 PolarHBondContact O-N 3.35Å; M501-Y503 VanDerWaalsContact C-N 3.32Å; Y503-L505 HydrophobicContact CD2-CD1 4.43Å; Y503-L505 PolarHBondContact O-N 2.91Å; Y503-R510 PolarHBondContact O-NH2 3.23Å; Y503-R510 VanDerWaalsContact O-NH2 3.14Å
504P95.4Very high96.7Very high85 Ų8528 Ų2855%0.55216%0.159SC*.THydrogen-bonded Turntrans-77.256.4179.233.7-36.5000111.4M476 V480M476-P504 HydrophobicContact CB-CG 4.14Å; V480-P504 HydrophobicContact CG2-CG 4.43Å
505L96.9Very high96.8Very high8 Ų831.4 Ų31.44%0.04217%0.174CC..  trans-84.4150.9175.6-65.1166.8000110.1V480 V483 V495 Y503 F509 R510 I513V480-L505 HydrophobicContact CB-CD2 4.5Å; V480-L505 HydrophobicContact CG2-CD2 4.05Å; V483-L505 HydrophobicContact CB-CD2 4.09Å; V483-L505 HydrophobicContact CG1-CD2 4.11Å; V483-L505 HydrophobicContact CG2-CD2 4.1Å; V495-L505 HydrophobicContact CG1-CD1 4.44Å; Y503-L505 HydrophobicContact CD2-CD1 4.43Å; Y503-L505 PolarHBondContact O-N 2.91Å; L505-F509 HydrophobicContact CB-CB 4.22Å; L505-F509 HydrophobicContact CD2-CB 4.48Å; L505-F509 HydrophobicContact CD2-CD2 3.96Å; L505-R510 HydrophobicContact CB-CG 4.05Å; L505-R510 PolarHBondContact O-NH1 3.46Å; L505-R510 PolarHBondContact O-NH2 2.96Å; L505-I513 HydrophobicContact CD1-CD1 3.81Å
506S97.1Very high96.7Very high60 Ų6033.9 Ų33.942%0.4218%0.183SC..  trans-66.2158.2170.970.80000111G508 F509 R510S506-G508 VanDerWaalsContact C-N 3.28Å; S506-G508 PolarHBondContact O-N 2.89Å; S506-F509 PolarHBondContact O-N 2.65Å; S506-F509 VanDerWaalsContact O-N 3.13Å; S506-F509 WeakPolarHBondContact OG-CB 3.5Å; S506-F509 WeakPolarHBondContact OG-CD1 3.44Å; S506-F509 WeakPolarHBondContact OG-CG 3.34Å; S506-F509 PolarHBondContact OG-N 2.91Å; S506-F509 VanDerWaalsContact OG-N 3.11Å; S506-R510 PolarHBondContact O-N 2.94Å
507H96.4Very high96.6Very high32 Ų3232.1 Ų32.115%0.14818%0.175CC..Hα-helixtrans-57.7-42.4173.6-62.1-41.6000112.7F509 R510 K511 E680 Q681 E939H507-F509 VanDerWaalsContact C-N 3.29Å; H507-F509 PolarHBondContact O-N 2.99Å; H507-R510 PolarHBondContact ND1-NH1 3.48Å; H507-R510 PolarHBondContact O-N 3.02Å; H507-K511 PolarHBondContact O-N 3.28Å; H507-E680 IonicContact CD2-OE1 3.76Å; H507-Q681 HydrophobicContact CB-CB 4.38Å; H507-Q681 HydrophobicContact CB-CG 3.74Å; H507-Q681 VanDerWaalsContact CE1-CD 3.43Å; H507-Q681 PolarHBondContact CE1-NE2 2.67Å; H507-Q681 VanDerWaalsContact CG-CG 3.47Å; H507-Q681 PolarHBondContact ND1-NE2 3.01Å; H507-Q681 PolarHBondContact ND1-OE1 3.25Å; H507-Q681 PolarHBondContact NE2-NE2 3.49Å; H507-E939 IonicContact CE1-OE2 3.63Å; H507-E939 PolarHBondContact CE1-OE2 2.94Å; H507-E939 VanDerWaalsContact CE1-OE2 3.3Å; H507-E939 IonicContact NE2-OE2 2.74Å; H507-E939 PolarHBondContact NE2-OE2 3.35Å
508G96.8Very high96.5Very high43 Ų4332 Ų3244%0.44318%0.175SC..Hα-helixtrans-56.9-42.2174.400000112.3S506 K511 A512S506-G508 VanDerWaalsContact C-N 3.28Å; S506-G508 PolarHBondContact O-N 2.89Å; G508-K511 PolarHBondContact O-N 3.34Å; G508-A512 VanDerWaalsContact O-CB 3.26Å; G508-A512 WeakPolarHBondContact O-CB 3.49Å; G508-A512 PolarHBondContact O-N 2.93Å
509F98.1Very high96.4Very high59 Ų5932.2 Ų32.226%0.25918%0.177SC..Hα-helixtrans-66.6-44.4177-76.89.2000112.2V480 V483 A484 L487 L505 S506 H507 K511 A512 I513V480-F509 HydrophobicContact CG1-CE2 4.45Å; V483-F509 HydrophobicContact CG1-CB 4.39Å; V483-F509 HydrophobicContact CG1-CD2 3.93Å; V483-F509 HydrophobicContact CG1-CG 4.31Å; A484-F509 HydrophobicContact CB-CE2 3.93Å; A484-F509 HydrophobicContact CB-CZ 3.87Å; L487-F509 HydrophobicContact CD1-CB 4.46Å; L487-F509 HydrophobicContact CD1-CD1 3.89Å; L487-F509 HydrophobicContact CD1-CE1 4.29Å; L487-F509 HydrophobicContact CD1-CG 4.13Å; L505-F509 HydrophobicContact CB-CB 4.22Å; L505-F509 HydrophobicContact CD2-CB 4.48Å; L505-F509 HydrophobicContact CD2-CD2 3.96Å; S506-F509 PolarHBondContact O-N 2.65Å; S506-F509 VanDerWaalsContact O-N 3.13Å; S506-F509 WeakPolarHBondContact OG-CB 3.5Å; S506-F509 WeakPolarHBondContact OG-CD1 3.44Å; S506-F509 WeakPolarHBondContact OG-CG 3.34Å; S506-F509 PolarHBondContact OG-N 2.91Å; S506-F509 VanDerWaalsContact OG-N 3.11Å; H507-F509 VanDerWaalsContact C-N 3.29Å; H507-F509 PolarHBondContact O-N 2.99Å; F509-K511 VanDerWaalsContact C-N 3.33Å; F509-K511 PolarHBondContact O-N 2.89Å; F509-A512 PolarHBondContact O-N 3.34Å; F509-I513 WeakPolarHBondContact O-CB 3.38Å; F509-I513 WeakPolarHBondContact O-CG1 3.45Å; F509-I513 PolarHBondContact O-N 3.46Å
510R98.1Very high96Very high34 Ų3434.1 Ų34.113%0.12819%0.188CC..Hα-helixtrans-61-43.9177.7-62.1-166.2-169.293.5-2.2111.6S500 Y503 L505 S506 H507 I513 A514S500-R510 PolarHBondContact O-NE 2.89Å; Y503-R510 PolarHBondContact O-NH2 3.23Å; Y503-R510 VanDerWaalsContact O-NH2 3.14Å; L505-R510 HydrophobicContact CB-CG 4.05Å; L505-R510 PolarHBondContact O-NH1 3.46Å; L505-R510 PolarHBondContact O-NH2 2.96Å; S506-R510 PolarHBondContact O-N 2.94Å; H507-R510 PolarHBondContact ND1-NH1 3.48Å; H507-R510 PolarHBondContact O-N 3.02Å; R510-I513 PolarHBondContact O-N 3.24Å; R510-A514 WeakPolarHBondContact O-CB 3.41Å; R510-A514 PolarHBondContact O-N 3.24Å
511K98.2Very high95.7Very high67 Ų6734.2 Ų34.229%0.29119%0.188SC..Hα-helixtrans-64.5-43.5176.4-170.117170-176.60111.8H507 G508 F509 A514 E515 E680H507-K511 PolarHBondContact O-N 3.28Å; G508-K511 PolarHBondContact O-N 3.34Å; F509-K511 VanDerWaalsContact C-N 3.33Å; F509-K511 PolarHBondContact O-N 2.89Å; K511-A514 WeakPolarHBondContact O-CB 3.4Å; K511-A514 PolarHBondContact O-N 2.87Å; K511-E515 WeakPolarHBondContact O-CB 3.39Å; K511-E515 PolarHBondContact O-N 3.26Å; K511-E680 WeakPolarHBondContact CE-O 2.96Å; K511-E680 PolarHBondContact NZ-O 3.36Å
512A97.8Very high95.6Very high22 Ų2236.2 Ų36.218%0.18220%0.199CC..Hα-helixtrans-64-41.1177.400000112.3L487 G508 F509 A514 E515 R516L487-A512 HydrophobicContact CD1-CB 4.02Å; L487-A512 HydrophobicContact CD2-CB 3.94Å; G508-A512 VanDerWaalsContact O-CB 3.26Å; G508-A512 WeakPolarHBondContact O-CB 3.49Å; G508-A512 PolarHBondContact O-N 2.93Å; F509-A512 PolarHBondContact O-N 3.34Å; A512-A514 VanDerWaalsContact C-N 3.35Å; A512-E515 PolarHBondContact O-N 3.14Å; A512-R516 WeakPolarHBondContact O-CG 3.31Å; A512-R516 PolarHBondContact O-N 3.2Å
513I97.9Very high95Very high0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-57.2-51.4172.3-70164000109.9V483 P493 V495 P497 L505 F509 R510 E515 R516 H517V483-I513 HydrophobicContact CG1-CD1 3.9Å; V483-I513 HydrophobicContact CG1-CG1 4.24Å; V483-I513 HydrophobicContact CG2-CD1 4.41Å; P493-I513 HydrophobicContact CB-CG1 3.83Å; P493-I513 HydrophobicContact CB-CG2 4.37Å; P493-I513 HydrophobicContact CG-CB 4.44Å; P493-I513 HydrophobicContact CG-CG1 3.9Å; V495-I513 HydrophobicContact CB-CD1 4.36Å; V495-I513 HydrophobicContact CG1-CD1 4.28Å; V495-I513 WeakPolarHBondContact O-CG2 3.38Å; P497-I513 HydrophobicContact CB-CG2 4.49Å; P497-I513 HydrophobicContact CG-CG2 4.06Å; L505-I513 HydrophobicContact CD1-CD1 3.81Å; F509-I513 WeakPolarHBondContact O-CB 3.38Å; F509-I513 WeakPolarHBondContact O-CG1 3.45Å; F509-I513 PolarHBondContact O-N 3.46Å; R510-I513 PolarHBondContact O-N 3.24Å; I513-E515 VanDerWaalsContact C-N 3.32Å; I513-E515 PolarHBondContact O-N 2.83Å; I513-R516 PolarHBondContact O-N 3.38Å; I513-H517 PolarHBondContact O-CD2 3.43Å; I513-H517 VanDerWaalsContact O-CD2 3.28Å; I513-H517 PolarHBondContact O-N 3.48Å; I513-H517 VanDerWaalsContact O-N 3.12Å
514A98Very high94.4Very high1 Ų146.3 Ų46.31%0.00825%0.248CC..Hα-helixtrans-58.7-43.9178.900000111.5R510 K511 A512 R516 H517 G518 Y632 T658 S659R510-A514 WeakPolarHBondContact O-CB 3.41Å; R510-A514 PolarHBondContact O-N 3.24Å; K511-A514 WeakPolarHBondContact O-CB 3.4Å; K511-A514 PolarHBondContact O-N 2.87Å; A512-A514 VanDerWaalsContact C-N 3.35Å; A514-R516 PolarHBondContact O-N 3.15Å; A514-H517 PolarHBondContact O-N 3.28Å; A514-G518 PolarHBondContact O-N 3.36Å; A514-Y632 HydrophobicContact CB-CE2 4.05Å; A514-Y632 PolarHBondContact O-OH 3.08Å; A514-T658 HydrophobicContact CB-CG2 4.03Å; A514-S659 CarbonylContact C-O 3.58Å; A514-S659 WeakPolarHBondContact CB-O 3.35Å; A514-S659 VanDerWaalsContact O-O 3.12Å
515E97.6Very high94.1Very high84 Ų8443.1 Ų43.139%0.39323%0.226SC..Hα-helixtrans-59.5-45.4176.5-175.3-171.2169.300112.5K511 A512 I513 H517 G518 N519 G660K511-E515 WeakPolarHBondContact O-CB 3.39Å; K511-E515 PolarHBondContact O-N 3.26Å; A512-E515 PolarHBondContact O-N 3.14Å; I513-E515 VanDerWaalsContact C-N 3.32Å; I513-E515 PolarHBondContact O-N 2.83Å; E515-H517 VanDerWaalsContact C-N 3.29Å; E515-H517 PolarHBondContact O-N 3.15Å; E515-G518 WeakPolarHBondContact O-CA 3.41Å; E515-G518 PolarHBondContact O-N 3.01Å; E515-G518 VanDerWaalsContact O-N 3.11Å; E515-N519 PolarHBondContact O-N 2.99Å; E515-G660 VanDerWaalsContact CA-O 3.25Å; E515-G660 WeakPolarHBondContact CA-O 3.42Å; E515-G660 WeakPolarHBondContact CB-O 3.26Å
516R94.9Very high93.7Very high53 Ų5347.2 Ų47.220%0.225%0.248CC..Hα-helixtrans-61.1-40177-63.2-39.5-17595.8-6.5112L487 N490 L492 P493 A512 I513 A514 N519 L520L487-R516 HydrophobicContact CD2-CG 4.3Å; N490-R516 PolarHBondContact O-NH1 2.92Å; N490-R516 PolarHBondContact OD1-NH1 3.39Å; N490-R516 PolarHBondContact OD1-NH2 2.88Å; L492-R516 HydrophobicContact CD1-CB 4.14Å; P493-R516 HydrophobicContact CG-CB 4.49Å; P493-R516 HydrophobicContact CG-CG 4.29Å; A512-R516 WeakPolarHBondContact O-CG 3.31Å; A512-R516 PolarHBondContact O-N 3.2Å; I513-R516 PolarHBondContact O-N 3.38Å; A514-R516 PolarHBondContact O-N 3.15Å; R516-N519 PolarHBondContact O-N 3.43Å; R516-L520 PolarHBondContact O-N 2.99Å; R516-L520 VanDerWaalsContact O-N 3.16Å
517H94.5Very high92.9Very high26 Ų2648.4 Ų48.412%0.1225%0.252CS..Hα-helixtrans-69.1-34175.2-82-98.8000112.6P497 I513 A514 E515 N519 L520 Y632P497-H517 HydrophobicContact CG-CB 3.81Å; I513-H517 PolarHBondContact O-CD2 3.43Å; I513-H517 VanDerWaalsContact O-CD2 3.28Å; I513-H517 PolarHBondContact O-N 3.48Å; I513-H517 VanDerWaalsContact O-N 3.12Å; A514-H517 PolarHBondContact O-N 3.28Å; E515-H517 VanDerWaalsContact C-N 3.29Å; E515-H517 PolarHBondContact O-N 3.15Å; H517-N519 VanDerWaalsContact C-N 3.35Å; H517-L520 WeakPolarHBondContact O-CB 3.28Å; H517-L520 PolarHBondContact O-N 2.93Å; H517-Y632 HydrophobicContact CB-CD1 4.3Å; H517-Y632 HydrophobicContact CB-CE1 3.65Å
518G94.8Very high92.4Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-62.5-41.6170.400000111.9A514 E515 L520 C521 L522 Y632A514-G518 PolarHBondContact O-N 3.36Å; E515-G518 WeakPolarHBondContact O-CA 3.41Å; E515-G518 PolarHBondContact O-N 3.01Å; E515-G518 VanDerWaalsContact O-N 3.11Å; G518-L520 VanDerWaalsContact C-N 3.34Å; G518-L520 PolarHBondContact O-N 3.38Å; G518-C521 VanDerWaalsContact O-CB 3.22Å; G518-C521 WeakPolarHBondContact O-CB 3.5Å; G518-C521 PolarHBondContact O-N 3.29Å; G518-L522 PolarHBondContact O-N 3.45Å; G518-Y632 WeakPolarHBondContact CA-OH 3.32Å; G518-Y632 PolarHBondContact N-OH 3.47Å; G518-Y632 VanDerWaalsContact N-OH 3.1Å
519N91.7Very high92Very high55 Ų5555.4 Ų55.429%0.29428%0.275SS..Hα-helixtrans-66.7-31.5178.2-68.7-14.4000113E515 R516 H517 C521 L522 D523E515-N519 PolarHBondContact O-N 2.99Å; R516-N519 PolarHBondContact O-N 3.43Å; H517-N519 VanDerWaalsContact C-N 3.35Å; N519-C521 PolarHBondContact O-N 2.88Å; N519-L522 WeakPolarHBondContact O-CA 3.33Å; N519-L522 WeakPolarHBondContact O-CB 3.47Å; N519-L522 PolarHBondContact O-N 3.27Å; N519-D523 PolarHBondContact O-N 3.01Å
520L88Confident91.7Very high62 Ų6255.4 Ų55.433%0.32528%0.275SS..Hα-helixtrans-57.4-33.7169.9-67177.3000112.3L492 R516 H517 G518 K524L492-L520 HydrophobicContact CD1-CD1 3.6Å; L492-L520 HydrophobicContact CD1-CD2 4.29Å; L492-L520 HydrophobicContact CD1-CG 3.97Å; L492-L520 HydrophobicContact CD2-CD1 3.72Å; L492-L520 HydrophobicContact CD2-CD2 4.37Å; L492-L520 HydrophobicContact CG-CD1 4.31Å; R516-L520 PolarHBondContact O-N 2.99Å; R516-L520 VanDerWaalsContact O-N 3.16Å; H517-L520 WeakPolarHBondContact O-CB 3.28Å; H517-L520 PolarHBondContact O-N 2.93Å; G518-L520 VanDerWaalsContact C-N 3.34Å; G518-L520 PolarHBondContact O-N 3.38Å; L520-K524 WeakPolarHBondContact O-CG 3.22Å; L520-K524 PolarHBondContact O-N 3.35Å
521C91.5Very high91.6Very high9 Ų958.6 Ų58.66%0.06130%0.3CS..Hα-helixtrans-68.8-38.7175.8-55.70000110.6G518 N519 K524 I525 E639 A642 F663G518-C521 VanDerWaalsContact O-CB 3.22Å; G518-C521 WeakPolarHBondContact O-CB 3.5Å; G518-C521 PolarHBondContact O-N 3.29Å; N519-C521 PolarHBondContact O-N 2.88Å; C521-K524 PolarHBondContact O-N 3.05Å; C521-I525 WeakPolarHBondContact O-CG1 3.44Å; C521-I525 WeakPolarHBondContact O-CG2 3.47Å; C521-I525 PolarHBondContact O-N 3.43Å; C521-I525 VanDerWaalsContact O-N 3.13Å; C521-E639 HydrophobicContact CB-CG 4.08Å; C521-A642 HydrophobicContact CB-CB 4.16Å; C521-F663 HydrophobicContact CB-CE1 4.35Å; C521-F663 HydrophobicContact CB-CZ 4.43Å
522L91Very high91.6Very high56 Ų5661.2 Ų61.229%0.29332%0.324SS..Hα-helixtrans-61-47.2174.7-62.2176.8000111.3G518 N519 K524 I525 N526 A642 F663G518-L522 PolarHBondContact O-N 3.45Å; N519-L522 WeakPolarHBondContact O-CA 3.33Å; N519-L522 WeakPolarHBondContact O-CB 3.47Å; N519-L522 PolarHBondContact O-N 3.27Å; L522-K524 VanDerWaalsContact C-N 3.27Å; L522-K524 PolarHBondContact O-N 3.3Å; L522-I525 HydrophobicContact CD2-CD1 4.24Å; L522-I525 WeakPolarHBondContact O-CG1 3.31Å; L522-I525 PolarHBondContact O-N 2.89Å; L522-I525 VanDerWaalsContact O-N 3.08Å; L522-N526 WeakPolarHBondContact O-CB 3.5Å; L522-N526 PolarHBondContact O-N 3.31Å; L522-N526 PolarHBondContact O-ND2 3.47Å; L522-N526 PolarHBondContact O-OD1 3.41Å; L522-A642 HydrophobicContact CD2-CB 4.13Å; L522-F663 HydrophobicContact CD2-CD1 4.17Å
523D83.3Confident91.6Very high101 Ų10161.4 Ų61.454%0.5432%0.32SS..Hα-helixtrans-57.5-42.1178.6-65.5-22.9000111.5N519 I525N519-D523 PolarHBondContact O-N 3.01Å; D523-I525 PolarHBondContact O-N 3Å
524K84.7Confident91.6Very high116 Ų11669.6 Ų69.650%0.50436%0.358SS..Hα-helixtrans-69.6-26.5177.3-73.8178.4-178-176.90114.7L520 C521 L522 V527 E639L520-K524 WeakPolarHBondContact O-CG 3.22Å; L520-K524 PolarHBondContact O-N 3.35Å; C521-K524 PolarHBondContact O-N 3.05Å; L522-K524 VanDerWaalsContact C-N 3.27Å; L522-K524 PolarHBondContact O-N 3.3Å; K524-V527 VanDerWaalsContact O-CG2 3.31Å; K524-V527 WeakPolarHBondContact O-CG2 3.2Å; K524-E639 HydrophobicContact CB-CG 4.07Å; K524-E639 HydrophobicContact CD-CG 3.98Å; K524-E639 WeakPolarHBondContact CD-OE1 3.32Å; K524-E639 IonicContact NZ-OE1 2.77Å; K524-E639 PolarHBondContact NZ-OE1 2.95Å
525I89.8Confident91.6Very high17 Ų1771.9 Ų71.99%0.08737%0.368CS..Hα-helixtrans-91.9-24178.763.7158.5000112.4C521 L522 D523 V527 L528 E639 A642 L643C521-I525 WeakPolarHBondContact O-CG1 3.44Å; C521-I525 WeakPolarHBondContact O-CG2 3.47Å; C521-I525 PolarHBondContact O-N 3.43Å; C521-I525 VanDerWaalsContact O-N 3.13Å; L522-I525 HydrophobicContact CD2-CD1 4.24Å; L522-I525 WeakPolarHBondContact O-CG1 3.31Å; L522-I525 PolarHBondContact O-N 2.89Å; L522-I525 VanDerWaalsContact O-N 3.08Å; D523-I525 PolarHBondContact O-N 3Å; I525-V527 PolarHBondContact O-N 3.5Å; I525-L528 VanDerWaalsContact O-CB 3.28Å; I525-L528 WeakPolarHBondContact O-CB 3.41Å; I525-L528 PolarHBondContact O-N 2.96Å; I525-E639 HydrophobicContact CG2-CB 3.7Å; I525-E639 HydrophobicContact CG2-CG 4.26Å; I525-E639 WeakPolarHBondContact CG2-O 3.46Å; I525-A642 VanDerWaalsContact CD1-C 3.46Å; I525-A642 HydrophobicContact CD1-CB 3.6Å; I525-A642 WeakPolarHBondContact CD1-O 3.05Å; I525-A642 HydrophobicContact CG1-CB 4.27Å; I525-A642 HydrophobicContact CG2-CB 4.42Å; I525-L643 HydrophobicContact CB-CD2 4.01Å; I525-L643 HydrophobicContact CB-CG 4.11Å; I525-L643 HydrophobicContact CD1-CD2 4.03Å; I525-L643 HydrophobicContact CD1-CG 4.09Å; I525-L643 HydrophobicContact CG2-CD1 4.22Å; I525-L643 HydrophobicContact CG2-CD2 4.34Å; I525-L643 HydrophobicContact CG2-CG 3.89Å
526N87.4Confident91.6Very high95 Ų9569 Ų6951%0.50836%0.357SS..Hα-helixtrans-59.5-34.4-180-77.4-21.9000112L522 L528 H529L522-N526 WeakPolarHBondContact O-CB 3.5Å; L522-N526 PolarHBondContact O-N 3.31Å; L522-N526 PolarHBondContact O-ND2 3.47Å; L522-N526 PolarHBondContact O-OD1 3.41Å; N526-L528 PolarHBondContact O-N 3.32Å; N526-H529 PolarHBondContact O-N 3.02Å; N526-H529 VanDerWaalsContact O-N 3.09Å; N526-H529 PolarHBondContact O-ND1 3.48Å
527V81Confident91.6Very high84 Ų8473.2 Ų73.251%0.50938%0.377SS..THydrogen-bonded Turntrans-65.2-16.4175.8-54.90000113.7K524 I525 H529K524-V527 VanDerWaalsContact O-CG2 3.31Å; K524-V527 WeakPolarHBondContact O-CG2 3.2Å; I525-V527 PolarHBondContact O-N 3.5Å; V527-H529 VanDerWaalsContact C-N 3.34Å; V527-H529 PolarHBondContact O-CD2 3.37Å
528L85.3Confident91.8Very high65 Ų6574.8 Ų74.834%0.3439%0.386SS..THydrogen-bonded Turntrans-82.3-15.8176.8-55177.8000112.1I525 N526 K530 L643I525-L528 VanDerWaalsContact O-CB 3.28Å; I525-L528 WeakPolarHBondContact O-CB 3.41Å; I525-L528 PolarHBondContact O-N 2.96Å; N526-L528 PolarHBondContact O-N 3.32Å; L528-K530 HydrophobicContact CB-CD 4.37Å; L528-K530 HydrophobicContact CB-CG 4.07Å; L528-K530 PolarHBondContact O-N 2.93Å; L528-L643 HydrophobicContact CD1-CD1 4.32Å
529H89Confident91.9Very high158 Ų15876.4 Ų76.473%0.73140%0.395SS*.  trans4635.9-178-59.2-68.6000114.1N526 V527N526-H529 PolarHBondContact O-N 3.02Å; N526-H529 VanDerWaalsContact O-N 3.09Å; N526-H529 PolarHBondContact O-ND1 3.48Å; V527-H529 VanDerWaalsContact C-N 3.34Å; V527-H529 PolarHBondContact O-CD2 3.37Å
530K91.8Very high92.1Very high59 Ų5981.6 Ų81.626%0.25742%0.415SS..PPolyproline II helixtrans-76.3133.9179.5-71.1-176.865.570.70110.1L528 Y533 D616 L643L528-K530 HydrophobicContact CB-CD 4.37Å; L528-K530 HydrophobicContact CB-CG 4.07Å; L528-K530 PolarHBondContact O-N 2.93Å; K530-Y533 WeakPolarHBondContact CE-OH 3.39Å; K530-D616 WeakPolarHBondContact CE-OD1 3.44Å; K530-D616 IonicContact NZ-OD1 2.87Å; K530-D616 PolarHBondContact NZ-OD1 3.27Å; K530-D616 IonicContact NZ-OD2 3.92Å; K530-D616 PolarHBondContact NZ-OD2 3.23Å; K530-L643 HydrophobicContact CB-CD2 4.22Å; K530-L643 HydrophobicContact CD-CD2 4.17Å
531P96.1Very high92.5Very high100 Ų10085.3 Ų85.365%0.64943%0.434SS*.PPolyproline II helixtrans-67157.2171.430.5-34.7000110.2
532P97.7Very high92.7Very high122 Ų12285 Ų8579%0.79243%0.432SS*.PPolyproline II helixtrans-55.2139.9168.5-23.133.8000111.2
533Y98.2Very high93Very high26 Ų2689 Ų8910%0.10245%0.453CS..PPolyproline II helixtrans-72.2148.9176.9-67.1-81000112.2K530 H535 A615 D616 H619 L643 P645K530-Y533 WeakPolarHBondContact CE-OH 3.39Å; Y533-H535 PolarHBondContact O-N 3.22Å; Y533-A615 HydrophobicContact CE2-CB 4.22Å; Y533-A615 VanDerWaalsContact OH-C 3.22Å; Y533-A615 WeakPolarHBondContact OH-CB 3.35Å; Y533-D616 WeakPolarHBondContact CE1-OD1 3.32Å; Y533-D616 PolarHBondContact OH-N 3.4Å; Y533-D616 VanDerWaalsContact OH-N 3.16Å; Y533-D616 PolarHBondContact OH-OD1 2.84Å; Y533-H619 HydrophobicContact CD1-CB 3.56Å; Y533-H619 AromaticContact CD1-CD2 3.58Å; Y533-H619 AromaticContact CD1-CG 3.25Å; Y533-H619 AromaticContact CD1-ND1 3.59Å; Y533-H619 HydrophobicContact CE1-CB 3.65Å; Y533-H619 AromaticContact CE1-CG 3.83Å; Y533-H619 HydrophobicContact CG-CB 4.21Å; Y533-H619 AromaticContact CG-CD2 3.82Å; Y533-H619 AromaticContact CG-CG 3.92Å; Y533-L643 WeakPolarHBondContact CD2-O 3.28Å; Y533-L643 HydrophobicContact CE2-CB 4.34Å; Y533-L643 WeakPolarHBondContact CE2-O 3.48Å; Y533-P645 HydrophobicContact CD2-CB 4.21Å; Y533-P645 HydrophobicContact CE2-CB 4.06Å
534E97.9Very high93.7Very high173 Ų17386.1 Ų86.181%0.80845%0.448SS*.PPolyproline II helixtrans-74.6116.9166.8-70.3-174.5178.700109.8H619E534-H619 PolarHBondContact O-NE2 2.92Å
535H98.3Very high94.3Very high48 Ų4883.2 Ų83.222%0.22243%0.434CS..PPolyproline II helixtrans-90.7136.3-179.5-63.1149.2000112.6Y533 R644 A646 P647 Y1017Y533-H535 PolarHBondContact O-N 3.22Å; H535-R644 PolarHBondContact NE2-O 3.35Å; H535-A646 PolarHBondContact NE2-O 2.97Å; H535-P647 HydrophobicContact CB-CB 3.75Å; H535-P647 HydrophobicContact CB-CG 4.1Å; H535-Y1017 WeakPolarHBondContact CB-OH 3.4Å
536P96.2Very high94.8Very high25 Ų2582.4 Ų82.416%0.16243%0.43CS..PPolyproline II helixtrans-58.5138.1171.4-20.131000111.4Y1017P536-Y1017 WeakPolarHBondContact O-CE1 3.24Å
537K96.1Very high95.3Very high140 Ų14080.3 Ų80.361%0.60942%0.415SS*.  trans-110.9-7.3178.1-54-50.3-175.197.90113.8Y1017K537-Y1017 HydrophobicContact CD-CE1 3.81Å; K537-Y1017 VanDerWaalsContact CD-OH 3.25Å; K537-Y1017 WeakPolarHBondContact CD-OH 3.34Å; K537-Y1017 WeakPolarHBondContact CE-OH 3.38Å
538D97.1Very high96.2Very high60 Ų6076.3 Ų76.332%0.32139%0.391SS..SBendtrans-141.1171.5175.670.838.2000109.8K540D538-K540 VanDerWaalsContact OD1-CB 3.26Å; D538-K540 WeakPolarHBondContact OD1-CB 3.5Å; D538-K540 WeakPolarHBondContact OD1-CG 3.26Å; D538-K540 PolarHBondContact OD1-N 3.37Å; D538-K540 WeakPolarHBondContact OD2-CD 3.47Å; D538-K540 WeakPolarHBondContact OD2-CE 3.44Å; D538-K540 IonicContact OD2-NZ 2.87Å; D538-K540 PolarHBondContact OD2-NZ 2.96Å
539L98Very high96.8Very high33 Ų3373.2 Ų73.217%0.17337%0.374CS..SBendtrans-95.711.8-179.5-57.6-179.2000112.7S542 D543 G544 L546 W1014L539-S542 WeakPolarHBondContact CA-OG 3.42Å; L539-S542 CarbonylContact O-C 3.56Å; L539-S542 PolarHBondContact O-N 2.95Å; L539-S542 PolarHBondContact O-OG 3.31Å; L539-S542 VanDerWaalsContact O-OG 3.04Å; L539-D543 PolarHBondContact O-N 2.89Å; L539-G544 WeakPolarHBondContact O-CA 3.38Å; L539-G544 PolarHBondContact O-N 3.48Å; L539-L546 HydrophobicContact CD2-CD1 3.69Å; L539-W1014 HydrophobicContact CD2-CD2 4.14Å; L539-W1014 VanDerWaalsContact CD2-CE2 3.43Å; L539-W1014 HydrophobicContact CD2-CH2 4.27Å; L539-W1014 HydrophobicContact CD2-CZ2 3.5Å; L539-W1014 HydrophobicContact CG-CZ2 3.97Å
540K96.7Very high97.3Very high164 Ų16465.7 Ų65.771%0.71334%0.34SS*.G310 helixtrans-69.3-39.1-174.1-63.2174.4-167.2138.60111.5D538 S542 D543D538-K540 VanDerWaalsContact OD1-CB 3.26Å; D538-K540 WeakPolarHBondContact OD1-CB 3.5Å; D538-K540 WeakPolarHBondContact OD1-CG 3.26Å; D538-K540 PolarHBondContact OD1-N 3.37Å; D538-K540 WeakPolarHBondContact OD2-CD 3.47Å; D538-K540 WeakPolarHBondContact OD2-CE 3.44Å; D538-K540 IonicContact OD2-NZ 2.87Å; D538-K540 PolarHBondContact OD2-NZ 2.96Å; K540-S542 PolarHBondContact O-N 3.21Å; K540-D543 PolarHBondContact O-N 3.3Å
541L95.1Very high97.6Very high141 Ų14162.9 Ų62.974%0.73833%0.328SS*.G310 helixtrans-66.6-16.7177-66.4178.7000113.1R547L541-R547 PolarHBondContact O-NH2 3.47Å
542S97.2Very high97.8Very high1 Ų158.1 Ų58.11%0.00730%0.297CS..G310 helixtrans-111.522.7177.4550000112.9L539 K540 G544 R545 H624L539-S542 WeakPolarHBondContact CA-OG 3.42Å; L539-S542 CarbonylContact O-C 3.56Å; L539-S542 PolarHBondContact O-N 2.95Å; L539-S542 PolarHBondContact O-OG 3.31Å; L539-S542 VanDerWaalsContact O-OG 3.04Å; K540-S542 PolarHBondContact O-N 3.21Å; S542-G544 VanDerWaalsContact C-N 3.27Å; S542-G544 PolarHBondContact O-N 3.33Å; S542-R545 WeakPolarHBondContact CB-O 3.37Å; S542-R545 WeakPolarHBondContact O-CB 3.32Å; S542-R545 PolarHBondContact O-N 2.98Å; S542-R545 PolarHBondContact OG-O 3.39Å; S542-H624 PolarHBondContact OG-CE1 3.48Å; S542-H624 VanDerWaalsContact OG-CE1 3.29Å
543D96.9Very high97.8Very high140 Ų14053 Ų5375%0.74926%0.264SS*.THydrogen-bonded Turntrans56.739.2175.8-16128.4000113.4L539 K540 R545L539-D543 PolarHBondContact O-N 2.89Å; K540-D543 PolarHBondContact O-N 3.3Å; D543-R545 PolarHBondContact O-N 2.93Å
544G97Very high97.8Very high42 Ų4252.3 Ų52.343%0.43326%0.262SS..THydrogen-bonded Turntrans75.62.7-17800000114.8L539 S542L539-G544 WeakPolarHBondContact O-CA 3.38Å; L539-G544 PolarHBondContact O-N 3.48Å; S542-G544 VanDerWaalsContact C-N 3.27Å; S542-G544 PolarHBondContact O-N 3.33Å
545R98.6Very high97.8Very high54 Ų5444.1 Ų44.120%0.20422%0.224CC..  trans-98.8143.4179.8-56.9-173.3-66.4155.12.7111.9S542 D543 R547 P573 K575 E577S542-R545 WeakPolarHBondContact CB-O 3.37Å; S542-R545 WeakPolarHBondContact O-CB 3.32Å; S542-R545 PolarHBondContact O-N 2.98Å; S542-R545 PolarHBondContact OG-O 3.39Å; D543-R545 PolarHBondContact O-N 2.93Å; R545-R547 PolarHBondContact O-N 3.03Å; R545-P573 WeakPolarHBondContact CD-O 3.49Å; R545-P573 PolarHBondContact NH1-O 3.27Å; R545-K575 CarbonylContact C-O 3.6Å; R545-K575 VanDerWaalsContact CA-O 3.25Å; R545-K575 WeakPolarHBondContact CA-O 3.5Å; R545-E577 IonicContact CZ-OE1 3.69Å; R545-E577 IonicContact NH2-OE1 2.97Å; R545-E577 PolarHBondContact NH2-OE1 3.48Å; R545-E577 IonicContact NH2-OE2 3.34Å; R545-E577 PolarHBondContact NH2-OE2 3.46Å
546L98.8Very high97.8Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-81.5114.1172.9-168.370.6000109.9L539 V548 K575 F576 E577 H624 I625 W1014L539-L546 HydrophobicContact CD2-CD1 3.69Å; L546-V548 HydrophobicContact CD2-CG2 4.3Å; L546-V548 HydrophobicContact CG-CG2 4.34Å; L546-V548 PolarHBondContact O-N 2.9Å; L546-K575 PolarHBondContact N-O 2.87Å; L546-F576 HydrophobicContact CB-CD1 3.87Å; L546-F576 HydrophobicContact CB-CE1 4.02Å; L546-F576 HydrophobicContact CD2-CD1 4.16Å; L546-F576 HydrophobicContact CD2-CE1 3.71Å; L546-F576 HydrophobicContact CG-CD1 4.48Å; L546-F576 HydrophobicContact CG-CE1 4.45Å; L546-F576 WeakPolarHBondContact O-CA 3.48Å; L546-E577 PolarHBondContact O-N 3.24Å; L546-H624 HydrophobicContact CD1-CB 3.58Å; L546-H624 HydrophobicContact CG-CB 4.37Å; L546-I625 HydrophobicContact CD2-CD1 3.78Å; L546-I625 HydrophobicContact CD2-CG1 4.33Å; L546-W1014 HydrophobicContact CD1-CB 3.89Å; L546-W1014 HydrophobicContact CD1-CD2 3.62Å; L546-W1014 HydrophobicContact CD1-CE3 3.9Å; L546-W1014 HydrophobicContact CD1-CG 3.59Å; L546-W1014 HydrophobicContact CD2-CB 4.29Å
547R98.9Very high97.8Very high51 Ų5145.2 Ų45.219%0.19223%0.23CC..EExtended strand (participates in β ladder)trans-75.8117.6172.7-59.1-171.7170.4149.89.1111.4L541 R545 E577 F579 D621 G622 I623 H624 I625L541-R547 PolarHBondContact O-NH2 3.47Å; R545-R547 PolarHBondContact O-N 3.03Å; R547-E577 WeakPolarHBondContact CA-O 3.09Å; R547-E577 HydrophobicContact CG-CB 4.18Å; R547-E577 IonicContact CZ-OE2 2.76Å; R547-E577 IonicContact NE-OE2 3.76Å; R547-E577 PolarHBondContact NE-OE2 2.95Å; R547-E577 IonicContact NH2-OE2 2.65Å; R547-F579 HydrophobicContact CB-CD2 4.35Å; R547-F579 HydrophobicContact CB-CE2 3.87Å; R547-F579 HydrophobicContact CG-CE2 3.84Å; R547-F579 HydrophobicContact CG-CZ 4.47Å; R547-D621 WeakPolarHBondContact CD-O 3.46Å; R547-D621 PolarHBondContact NH1-O 2.86Å; R547-G622 WeakPolarHBondContact CD-O 3.43Å; R547-I623 HydrophobicContact CB-CD1 4.14Å; R547-H624 WeakPolarHBondContact CB-ND1 3.35Å; R547-H624 PolarHBondContact N-ND1 2.98Å; R547-H624 PolarHBondContact O-N 3.37Å; R547-I625 PolarHBondContact O-N 3.17Å
548V98.9Very high97.8Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-115.8127.6179.3-178.30000109.4L546 Y550 F576 E577 F579 I625 V627 Y1010L546-V548 HydrophobicContact CD2-CG2 4.3Å; L546-V548 HydrophobicContact CG-CG2 4.34Å; L546-V548 PolarHBondContact O-N 2.9Å; V548-Y550 HydrophobicContact CG1-CE2 3.98Å; V548-F576 HydrophobicContact CG2-CD1 4.05Å; V548-E577 PolarHBondContact N-O 3.45Å; V548-F579 PolarHBondContact O-N 3.04Å; V548-I625 CarbonylContact C-O 3.48Å; V548-I625 WeakPolarHBondContact CA-O 3.25Å; V548-I625 HydrophobicContact CG2-CB 4.47Å; V548-V627 HydrophobicContact CG1-CG2 4.12Å; V548-Y1010 HydrophobicContact CG1-CD2 4.45Å; V548-Y1010 HydrophobicContact CG1-CE2 3.85Å; V548-Y1010 HydrophobicContact CG2-CD2 3.97Å; V548-Y1010 HydrophobicContact CG2-CE2 4.18Å
549G98.9Very high97.7Very high0 Ų041.5 Ų41.50%022%0.218CC..EExtended strand (participates in β ladder)trans-110.3115.8179.400000112.3F579 I625 L626 V627G549-F579 CarbonylContact C-O 3.59Å; G549-F579 VanDerWaalsContact CA-O 3.29Å; G549-F579 WeakPolarHBondContact CA-O 3.45Å; G549-I625 PolarHBondContact N-O 3.29Å; G549-L626 CarbonylContact O-C 3.56Å; G549-L626 WeakPolarHBondContact O-CA 3.27Å; G549-V627 PolarHBondContact O-N 3.06Å
550Y98.9Very high97.7Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-93.5115.2172.6-70-69.5000110.3V548 H571 V578 F579 Y581 V627 M629 W652 L1006 Y1010V548-Y550 HydrophobicContact CG1-CE2 3.98Å; Y550-H571 AromaticContact CE2-NE2 3.74Å; Y550-H571 AromaticContact CZ-NE2 3.81Å; Y550-H571 PolarHBondContact OH-NE2 3.27Å; Y550-V578 HydrophobicContact CD2-CG1 4.02Å; Y550-V578 HydrophobicContact CE2-CG1 4.2Å; Y550-F579 PolarHBondContact N-O 2.64Å; Y550-Y581 PolarHBondContact O-N 2.89Å; Y550-V627 HydrophobicContact CD1-CB 3.69Å; Y550-V627 HydrophobicContact CD1-CG1 3.93Å; Y550-V627 HydrophobicContact CD1-CG2 4.01Å; Y550-V627 HydrophobicContact CE1-CB 3.94Å; Y550-V627 HydrophobicContact CE1-CG1 4Å; Y550-V627 HydrophobicContact CE1-CG2 3.82Å; Y550-M629 HydrophobicContact CD1-CG 4.37Å; Y550-M629 HydrophobicContact CD1-SD 3.57Å; Y550-M629 VanDerWaalsContact CD1-SD 3.57Å; Y550-M629 HydrophobicContact CG-SD 4.02Å; Y550-W652 HydrophobicContact CD1-CE3 4.25Å; Y550-W652 HydrophobicContact CD1-CZ3 4.06Å; Y550-W652 AromaticContact CE1-CE3 3.85Å; Y550-W652 HydrophobicContact CE1-CE3 3.85Å; Y550-W652 AromaticContact CE1-CZ3 3.62Å; Y550-W652 HydrophobicContact CE1-CZ3 3.62Å; Y550-L1006 WeakPolarHBondContact OH-CD2 3.44Å; Y550-Y1010 WeakPolarHBondContact OH-CE2 3.49Å; Y550-Y1010 PolarHBondContact OH-OH 3.01Å
551V98.9Very high97.7Very high1 Ų132.6 Ų32.61%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-107.8120.1-178.7-169.20000109.8Y581 L583 L626 V627 M629 F641V551-Y581 HydrophobicContact CG2-CD2 3.94Å; V551-Y581 HydrophobicContact CG2-CG 4.3Å; V551-L583 HydrophobicContact CG1-CD1 3.88Å; V551-L583 HydrophobicContact CG1-CD2 3.71Å; V551-L583 HydrophobicContact CG1-CG 3.84Å; V551-L626 HydrophobicContact CG2-CD1 3.51Å; V551-L626 HydrophobicContact CG2-CD2 4.26Å; V551-L626 HydrophobicContact CG2-CG 3.83Å; V551-V627 PolarHBondContact N-O 3.36Å; V551-M629 PolarHBondContact O-N 3.49Å; V551-F641 HydrophobicContact CB-CE2 4.05Å; V551-F641 HydrophobicContact CB-CZ 3.76Å; V551-F641 HydrophobicContact CG1-CE2 4.24Å; V551-F641 HydrophobicContact CG1-CZ 4.43Å; V551-F641 HydrophobicContact CG2-CE2 4.32Å; V551-F641 HydrophobicContact CG2-CZ 3.76Å
552S98.7Very high97.9Very high0 Ų026.2 Ų26.20%015%0.145CC..EExtended strand (participates in β ladder)trans-152.4142.4-179.3-163.70000113.7D554 Y581 A582 L583 N630S552-D554 VanDerWaalsContact OG-CB 3.32Å; S552-D554 WeakPolarHBondContact OG-CB 3.44Å; S552-D554 PolarHBondContact OG-N 3.28Å; S552-Y581 PolarHBondContact N-O 3.17Å; S552-A582 WeakPolarHBondContact O-CA 3.38Å; S552-L583 PolarHBondContact O-N 2.98Å; S552-N630 VanDerWaalsContact CA-OD1 3.23Å; S552-N630 WeakPolarHBondContact CA-OD1 3.35Å
553S98Very high97.9Very high14 Ų1426.5 Ų26.510%0.09815%0.146CC..SBendtrans-78.7-4.1160.561.90000113.3S584 N630 K634S553-S584 WeakPolarHBondContact O-CB 3.45Å; S553-S584 PolarHBondContact O-OG 3.34Å; S553-N630 PolarHBondContact N-OD1 3.34Å; S553-N630 PolarHBondContact OG-ND2 3.5Å; S553-K634 PolarHBondContact OG-O 3.02Å
554D98.3Very high98Very high11 Ų1119.9 Ų19.96%0.05911%0.111CC..  trans-107.713.3-164.4-58.7-10000112.7S552 G556 H558 T560 S561 N630S552-D554 VanDerWaalsContact OG-CB 3.32Å; S552-D554 WeakPolarHBondContact OG-CB 3.44Å; S552-D554 PolarHBondContact OG-N 3.28Å; D554-G556 PolarHBondContact O-N 3.45Å; D554-H558 HydrophobicContact CB-CB 3.82Å; D554-H558 WeakPolarHBondContact CB-ND1 3.45Å; D554-H558 VanDerWaalsContact CG-ND1 3.27Å; D554-H558 IonicContact OD2-CE1 2.61Å; D554-H558 PolarHBondContact OD2-CE1 3Å; D554-H558 IonicContact OD2-CG 3.69Å; D554-H558 IonicContact OD2-ND1 3.81Å; D554-H558 PolarHBondContact OD2-ND1 3Å; D554-H558 VanDerWaalsContact OD2-ND1 3.09Å; D554-H558 IonicContact OD2-NE2 3.19Å; D554-T560 HydrophobicContact CB-CG2 4.44Å; D554-T560 PolarHBondContact OD2-OG1 3.5Å; D554-T560 VanDerWaalsContact OD2-OG1 3.05Å; D554-S561 WeakPolarHBondContact O-CB 3.43Å; D554-S561 PolarHBondContact O-OG 3.46Å; D554-N630 PolarHBondContact OD1-ND2 2.91Å
555F98.4Very high98Very high2 Ų218 Ų181%0.0099%0.091CC..SBendtrans-71.592.3169.2-64.8-49.3000110S561 M564 C580 A582 R592 V595 F602 M629F555-S561 WeakPolarHBondContact CA-OG 3.29Å; F555-M564 HydrophobicContact CE1-CE 4.48Å; F555-M564 HydrophobicContact CE1-SD 4.38Å; F555-C580 HydrophobicContact CE2-CB 4.1Å; F555-C580 HydrophobicContact CZ-CB 4.1Å; F555-A582 HydrophobicContact CD2-CB 4.17Å; F555-R592 WeakPolarHBondContact O-CD 3.4Å; F555-R592 PolarHBondContact O-NH1 2.7Å; F555-V595 HydrophobicContact CD1-CG1 3.91Å; F555-V595 HydrophobicContact CE1-CG1 4.05Å; F555-V595 HydrophobicContact CG-CG1 4.49Å; F555-F602 HydrophobicContact CD2-CE2 4.4Å; F555-F602 HydrophobicContact CD2-CZ 4.43Å; F555-M629 HydrophobicContact CE1-CE 4.46Å; F555-M629 HydrophobicContact CZ-SD 4.34Å
556G97.2Very high98Very high4 Ų415.6 Ų15.64%0.0418%0.082CC..SBendtrans159.6-154.5-171.200000111.7D554 H558 S561 D587D554-G556 PolarHBondContact O-N 3.45Å; G556-H558 PolarHBondContact O-N 3.28Å; G556-S561 PolarHBondContact N-OG 3.43Å; G556-S561 WeakPolarHBondContact O-CB 3.28Å; G556-S561 PolarHBondContact O-OG 2.89Å; G556-D587 WeakPolarHBondContact CA-OD2 3.32Å
557N96.6Very high98Very high91 Ų9115.6 Ų15.649%0.4878%0.082SC..SBendtrans-76.669.1174.4-178.925.2000111.9H562 D587 T589 F591N557-H562 PolarHBondContact OD1-CE1 3.19Å; N557-H562 PolarHBondContact OD1-NE2 2.91Å; N557-H562 VanDerWaalsContact OD1-NE2 3.16Å; N557-D587 PolarHBondContact N-OD2 3.49Å; N557-T589 HydrophobicContact CB-CG2 3.88Å; N557-F591 HydrophobicContact CB-CD2 4.42Å
558H96.6Very high98Very high73 Ų7313.3 Ų13.334%0.3387%0.074SC..SBendtrans-133.7145.9175.4-170.8-95.5000110D554 G556 T560 S561 H562D554-H558 HydrophobicContact CB-CB 3.82Å; D554-H558 WeakPolarHBondContact CB-ND1 3.45Å; D554-H558 VanDerWaalsContact CG-ND1 3.27Å; D554-H558 IonicContact OD2-CE1 2.61Å; D554-H558 PolarHBondContact OD2-CE1 3Å; D554-H558 IonicContact OD2-CG 3.69Å; D554-H558 IonicContact OD2-ND1 3.81Å; D554-H558 PolarHBondContact OD2-ND1 3Å; D554-H558 VanDerWaalsContact OD2-ND1 3.09Å; D554-H558 IonicContact OD2-NE2 3.19Å; G556-H558 PolarHBondContact O-N 3.28Å; H558-T560 PolarHBondContact CE1-OG1 3.34Å; H558-T560 PolarHBondContact ND1-N 2.91Å; H558-T560 PolarHBondContact ND1-OG1 2.9Å; H558-T560 PolarHBondContact O-N 2.87Å; H558-T560 VanDerWaalsContact O-N 3.07Å; H558-S561 PolarHBondContact O-N 3.22Å; H558-H562 PolarHBondContact O-CD2 2.98Å; H558-H562 PolarHBondContact O-N 3.25Å; H558-H562 VanDerWaalsContact O-N 3.13Å
559P95.7Very high98Very high50 Ų5015.2 Ų15.233%0.3259%0.093SC..Hα-helixtrans-46.6-40.5177.2-32.737.1000114.5S561 H562 L563 T921P559-S561 PolarHBondContact O-N 2.91Å; P559-H562 WeakPolarHBondContact O-CB 3.38Å; P559-H562 PolarHBondContact O-N 3.28Å; P559-H562 VanDerWaalsContact O-N 3.1Å; P559-L563 VanDerWaalsContact O-CG 3.26Å; P559-L563 WeakPolarHBondContact O-CG 3.47Å; P559-L563 PolarHBondContact O-N 3.48Å; P559-T921 HydrophobicContact CB-CG2 4.18Å
560T96.8Very high98Very high8 Ų818.6 Ų18.65%0.04911%0.11CC..Hα-helixtrans-53.2-51.5176.3-47.60000111.7D554 H558 H562 L563 M564 M629D554-T560 HydrophobicContact CB-CG2 4.44Å; D554-T560 PolarHBondContact OD2-OG1 3.5Å; D554-T560 VanDerWaalsContact OD2-OG1 3.05Å; H558-T560 PolarHBondContact CE1-OG1 3.34Å; H558-T560 PolarHBondContact ND1-N 2.91Å; H558-T560 PolarHBondContact ND1-OG1 2.9Å; H558-T560 PolarHBondContact O-N 2.87Å; H558-T560 VanDerWaalsContact O-N 3.07Å; T560-H562 PolarHBondContact O-N 2.91Å; T560-L563 WeakPolarHBondContact O-CB 3.48Å; T560-L563 PolarHBondContact O-N 2.94Å; T560-L563 VanDerWaalsContact O-N 3.09Å; T560-M564 HydrophobicContact CG2-CG 4.42Å; T560-M564 WeakPolarHBondContact O-CG 3.41Å; T560-M564 PolarHBondContact O-N 3.45Å; T560-M564 VanDerWaalsContact O-N 3.12Å; T560-M629 HydrophobicContact CG2-CE 3.66Å
561S97.9Very high97.9Very high1 Ų119.2 Ų19.21%0.00711%0.113CC..Hα-helixtrans-63.1-39.9176-76.70000112.5D554 F555 G556 H558 P559 L563 M564 Q565D554-S561 WeakPolarHBondContact O-CB 3.43Å; D554-S561 PolarHBondContact O-OG 3.46Å; F555-S561 WeakPolarHBondContact CA-OG 3.29Å; G556-S561 PolarHBondContact N-OG 3.43Å; G556-S561 WeakPolarHBondContact O-CB 3.28Å; G556-S561 PolarHBondContact O-OG 2.89Å; H558-S561 PolarHBondContact O-N 3.22Å; P559-S561 PolarHBondContact O-N 2.91Å; S561-L563 PolarHBondContact O-N 3.42Å; S561-M564 PolarHBondContact O-N 3.25Å; S561-Q565 WeakPolarHBondContact O-CB 3.49Å; S561-Q565 VanDerWaalsContact O-CG 3.28Å; S561-Q565 WeakPolarHBondContact O-CG 3.31Å; S561-Q565 PolarHBondContact O-N 3.5Å
562H98.1Very high97.9Very high8 Ų821.9 Ų21.94%0.03713%0.127CC..Hα-helixtrans-61.9-18.3176.4-51160000113N557 H558 P559 T560 F591 D697 M701N557-H562 PolarHBondContact OD1-CE1 3.19Å; N557-H562 PolarHBondContact OD1-NE2 2.91Å; N557-H562 VanDerWaalsContact OD1-NE2 3.16Å; H558-H562 PolarHBondContact O-CD2 2.98Å; H558-H562 PolarHBondContact O-N 3.25Å; H558-H562 VanDerWaalsContact O-N 3.13Å; P559-H562 WeakPolarHBondContact O-CB 3.38Å; P559-H562 PolarHBondContact O-N 3.28Å; P559-H562 VanDerWaalsContact O-N 3.1Å; T560-H562 PolarHBondContact O-N 2.91Å; H562-F591 AromaticContact CD2-CD2 3.84Å; H562-F591 AromaticContact CD2-CE2 3.55Å; H562-F591 AromaticContact CD2-CZ 3.83Å; H562-F591 AromaticContact NE2-CD2 3.71Å; H562-F591 AromaticContact NE2-CE2 3.28Å; H562-F591 VanDerWaalsContact NE2-CE2 3.28Å; H562-F591 WeakPolarHBondContact NE2-CE2 3.29Å; H562-F591 AromaticContact NE2-CZ 3.93Å; H562-D697 VanDerWaalsContact O-CB 3.32Å; H562-D697 WeakPolarHBondContact O-CB 3.43Å; H562-D697 PolarHBondContact O-N 2.87Å; H562-M701 HydrophobicContact CB-CE 4.09Å; H562-M701 HydrophobicContact CB-SD 3.93Å; H562-M701 VanDerWaalsContact O-SD 3.33Å
563L98.1Very high97.9Very high6 Ų625.1 Ų25.13%0.03115%0.148CC..Hα-helixtrans-93.5-41.2178.1-63.5173.3000112.8P559 T560 S561 L653 F694 I695 G696 D697 M924P559-L563 VanDerWaalsContact O-CG 3.26Å; P559-L563 WeakPolarHBondContact O-CG 3.47Å; P559-L563 PolarHBondContact O-N 3.48Å; T560-L563 WeakPolarHBondContact O-CB 3.48Å; T560-L563 PolarHBondContact O-N 2.94Å; T560-L563 VanDerWaalsContact O-N 3.09Å; S561-L563 PolarHBondContact O-N 3.42Å; L563-L653 HydrophobicContact CB-CD2 4.3Å; L563-L653 HydrophobicContact CD1-CD1 4.35Å; L563-F694 HydrophobicContact CD1-CE1 3.71Å; L563-F694 HydrophobicContact CD1-CZ 3.58Å; L563-F694 HydrophobicContact CD2-CE1 4.03Å; L563-F694 HydrophobicContact CG-CE1 4.5Å; L563-I695 WeakPolarHBondContact CB-O 3.14Å; L563-I695 WeakPolarHBondContact CD2-O 3.44Å; L563-G696 CarbonylContact O-C 3.5Å; L563-G696 WeakPolarHBondContact O-CA 3.38Å; L563-D697 PolarHBondContact O-N 3.39Å; L563-D697 VanDerWaalsContact O-N 3.13Å; L563-M924 HydrophobicContact CD2-CB 4.49Å; L563-M924 HydrophobicContact CD2-CG 4.39Å
564M98.2Very high97.9Very high1 Ų130.5 Ų30.51%0.00518%0.176CC..Hα-helixtrans-123.83.3-167.864.662.369.600116.3F555 T560 S561 S566 I567 P568 M629 W652 L653 I695F555-M564 HydrophobicContact CE1-CE 4.48Å; F555-M564 HydrophobicContact CE1-SD 4.38Å; T560-M564 HydrophobicContact CG2-CG 4.42Å; T560-M564 WeakPolarHBondContact O-CG 3.41Å; T560-M564 PolarHBondContact O-N 3.45Å; T560-M564 VanDerWaalsContact O-N 3.12Å; S561-M564 PolarHBondContact O-N 3.25Å; M564-S566 PolarHBondContact O-N 3.02Å; M564-I567 HydrophobicContact CB-CD1 3.87Å; M564-I567 HydrophobicContact CB-CG1 4.34Å; M564-I567 WeakPolarHBondContact O-CB 3.43Å; M564-I567 PolarHBondContact O-N 2.91Å; M564-P568 HydrophobicContact CE-CG 3.99Å; M564-P568 WeakPolarHBondContact O-CD 3.31Å; M564-M629 HydrophobicContact CE-CE 3.61Å; M564-M629 HydrophobicContact CE-SD 4.26Å; M564-M629 HydrophobicContact CG-CE 3.66Å; M564-M629 HydrophobicContact SD-CE 3.52Å; M564-M629 VanDerWaalsContact SD-CE 3.52Å; M564-W652 HydrophobicContact CB-CH2 3.91Å; M564-W652 HydrophobicContact CE-CH2 4.43Å; M564-W652 HydrophobicContact CE-CZ3 4.16Å; M564-W652 HydrophobicContact CG-CH2 4.22Å; M564-W652 HydrophobicContact CG-CZ3 4.38Å; M564-L653 HydrophobicContact CB-CD2 4.02Å; M564-L653 HydrophobicContact CG-CD2 3.85Å; M564-I695 HydrophobicContact CB-CG2 4.45Å
565Q98.3Very high97.9Very high4 Ų435.8 Ų35.82%0.01920%0.198CC..THydrogen-bonded Turntrans-53.9-26.4-173.959.9177.9-38.900115.6S561 K594 V595 D697 M701S561-Q565 WeakPolarHBondContact O-CB 3.49Å; S561-Q565 VanDerWaalsContact O-CG 3.28Å; S561-Q565 WeakPolarHBondContact O-CG 3.31Å; S561-Q565 PolarHBondContact O-N 3.5Å; Q565-K594 HydrophobicContact CG-CD 4.49Å; Q565-V595 HydrophobicContact CB-CG2 3.78Å; Q565-D697 HydrophobicContact CG-CB 4.24Å; Q565-D697 WeakPolarHBondContact CG-OD2 3.47Å; Q565-D697 PolarHBondContact NE2-OD2 3.23Å; Q565-D697 VanDerWaalsContact NE2-OD2 3.1Å; Q565-M701 PolarHBondContact NE2-SD 3.4Å; Q565-M701 VanDerWaalsContact NE2-SD 3.38Å
566S98.5Very high97.9Very high3 Ų335.8 Ų35.82%0.02120%0.198CC..THydrogen-bonded Turntrans-86.4-14.1178.7-600000113.6M564 G569 M570 K594 D697M564-S566 PolarHBondContact O-N 3.02Å; S566-G569 PolarHBondContact O-N 2.91Å; S566-M570 WeakPolarHBondContact O-CB 3.48Å; S566-M570 VanDerWaalsContact O-CG 3.24Å; S566-M570 WeakPolarHBondContact O-CG 3.49Å; S566-M570 PolarHBondContact O-N 3.28Å; S566-M570 VanDerWaalsContact O-N 3.15Å; S566-K594 VanDerWaalsContact OG-CE 3.28Å; S566-K594 WeakPolarHBondContact OG-CE 3.46Å; S566-K594 PolarHBondContact OG-NZ 3Å; S566-D697 WeakPolarHBondContact CB-OD1 3.37Å; S566-D697 PolarHBondContact OG-OD1 3.31Å; S566-D697 PolarHBondContact OG-OD2 3.4Å; S566-D697 VanDerWaalsContact OG-OD2 3.13Å
567I98.7Very high97.9Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-62.7-45.3-178.4-69.2-179000111.8M564 G569 M570 H571 W652 I695 Y1002 T1003 L1006M564-I567 HydrophobicContact CB-CD1 3.87Å; M564-I567 HydrophobicContact CB-CG1 4.34Å; M564-I567 WeakPolarHBondContact O-CB 3.43Å; M564-I567 PolarHBondContact O-N 2.91Å; I567-G569 VanDerWaalsContact C-N 3.25Å; I567-G569 PolarHBondContact O-N 3.46Å; I567-M570 PolarHBondContact O-N 3.46Å; I567-H571 PolarHBondContact O-N 2.97Å; I567-W652 HydrophobicContact CD1-CH2 3.81Å; I567-W652 HydrophobicContact CD1-CZ2 4.09Å; I567-I695 HydrophobicContact CD1-CG1 4.35Å; I567-I695 HydrophobicContact CD1-CG2 3.84Å; I567-Y1002 HydrophobicContact CD1-CD1 3.6Å; I567-Y1002 HydrophobicContact CD1-CE1 3.73Å; I567-T1003 HydrophobicContact CG2-CG2 4.16Å; I567-L1006 HydrophobicContact CG2-CD2 4.46Å
568P98.4Very high98.1Very high3 Ų332.1 Ų32.12%0.01918%0.177CC..Hα-helixtrans-51.7-41.9175.3-30.838.1000113.8M564 M570 V578 V595M564-P568 HydrophobicContact CE-CG 3.99Å; M564-P568 WeakPolarHBondContact O-CD 3.31Å; P568-M570 VanDerWaalsContact C-N 3.34Å; P568-V578 HydrophobicContact CB-CG1 4.15Å; P568-V595 HydrophobicContact CG-CG1 4.25Å
569G98.1Very high98.2Very high40 Ų4029 Ų2941%0.41216%0.162SC..Hα-helixtrans-81-9.1178.100000115.3S566 I567S566-G569 PolarHBondContact O-N 2.91Å; I567-G569 VanDerWaalsContact C-N 3.25Å; I567-G569 PolarHBondContact O-N 3.46Å
570M98.5Very high98.3Very high70 Ų7026.6 Ų26.635%0.34515%0.147SC..Hα-helixtrans-98-9.1178-74.4180179.100113.4S566 I567 P568 T999 K1000 T1003S566-M570 WeakPolarHBondContact O-CB 3.48Å; S566-M570 VanDerWaalsContact O-CG 3.24Å; S566-M570 WeakPolarHBondContact O-CG 3.49Å; S566-M570 PolarHBondContact O-N 3.28Å; S566-M570 VanDerWaalsContact O-N 3.15Å; I567-M570 PolarHBondContact O-N 3.46Å; P568-M570 VanDerWaalsContact C-N 3.34Å; M570-T999 VanDerWaalsContact CE-OG1 3.31Å; M570-T999 WeakPolarHBondContact CE-OG1 3.47Å; M570-T999 VanDerWaalsContact SD-CB 3.56Å; M570-T999 PolarHBondContact SD-OG1 2.96Å; M570-K1000 HydrophobicContact SD-CB 4.02Å; M570-K1000 PolarHBondContact SD-N 3.27Å; M570-K1000 VanDerWaalsContact SD-N 3.38Å; M570-T1003 HydrophobicContact CB-CG2 4.15Å
571H98.6Very high98.4Very high13 Ų1326.2 Ų26.26%0.0615%0.145CC..SBendtrans-61.9142.4172.7-90.9-63.2000111.5Y550 I567 P573 V578 T1003 E1007Y550-H571 AromaticContact CE2-NE2 3.74Å; Y550-H571 AromaticContact CZ-NE2 3.81Å; Y550-H571 PolarHBondContact OH-NE2 3.27Å; I567-H571 PolarHBondContact O-N 2.97Å; H571-P573 WeakPolarHBondContact O-CD 3.45Å; H571-V578 HydrophobicContact CB-CG2 3.49Å; H571-V578 VanDerWaalsContact CB-CG2 3.49Å; H571-T1003 HydrophobicContact CB-CG2 4.4Å; H571-E1007 VanDerWaalsContact CA-OE1 3.24Å; H571-E1007 WeakPolarHBondContact CA-OE1 3.27Å; H571-E1007 IonicContact CE1-OE1 3.17Å; H571-E1007 IonicContact CG-OE1 3.78Å; H571-E1007 WeakPolarHBondContact ND1-CG 3.28Å; H571-E1007 IonicContact ND1-OE1 3.25Å; H571-E1007 PolarHBondContact ND1-OE1 2.82Å
572N98.3Very high98.5Very high57 Ų5726.1 Ų26.131%0.30514%0.144SC..  trans-75.1108.3177-178.50.3000110.5D574 K575 F576 E1007N572-D574 PolarHBondContact O-N 3.42Å; N572-D574 VanDerWaalsContact O-N 3.14Å; N572-D574 WeakPolarHBondContact OD1-CB 3.5Å; N572-D574 PolarHBondContact OD1-N 3.3Å; N572-K575 PolarHBondContact O-N 2.56Å; N572-F576 HydrophobicContact CB-CD2 4.46Å; N572-F576 PolarHBondContact O-N 2.97Å; N572-E1007 PolarHBondContact N-OE1 3.39Å
573P97.8Very high98.5Very high69 Ų6926.6 Ų26.645%0.44815%0.147SC..THydrogen-bonded Turntrans-68-15.3-176.630.9-36.7000113.4R545 H571 K575 F576R545-P573 WeakPolarHBondContact CD-O 3.49Å; R545-P573 PolarHBondContact NH1-O 3.27Å; H571-P573 WeakPolarHBondContact O-CD 3.45Å; P573-K575 VanDerWaalsContact C-N 3.3Å; P573-F576 CarbonylContact C-O 3.44Å; P573-F576 WeakPolarHBondContact CA-O 3.39Å
574D97.8Very high98.4Very high126 Ų12627.6 Ų27.667%0.67415%0.154SC*.THydrogen-bonded Turntrans-73.5-23.8178.3-62.2-28.2000112.4N572N572-D574 PolarHBondContact O-N 3.42Å; N572-D574 VanDerWaalsContact O-N 3.14Å; N572-D574 WeakPolarHBondContact OD1-CB 3.5Å; N572-D574 PolarHBondContact OD1-N 3.3Å
575K98.3Very high98.2Very high122 Ų12231.8 Ų31.853%0.5318%0.181SC..THydrogen-bonded Turntrans-123.7-19.6-175.9-66.5-61.6-177-172.20113.4R545 L546 N572 P573R545-K575 CarbonylContact C-O 3.6Å; R545-K575 VanDerWaalsContact CA-O 3.25Å; R545-K575 WeakPolarHBondContact CA-O 3.5Å; L546-K575 PolarHBondContact N-O 2.87Å; N572-K575 PolarHBondContact O-N 2.56Å; P573-K575 VanDerWaalsContact C-N 3.3Å
576F98.8Very high98.2Very high3 Ų335.3 Ų35.31%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-127.9151.2-177.2-61.7-93.7000110.7L546 V548 N572 P573 E1007 Y1010 L1011L546-F576 HydrophobicContact CB-CD1 3.87Å; L546-F576 HydrophobicContact CB-CE1 4.02Å; L546-F576 HydrophobicContact CD2-CD1 4.16Å; L546-F576 HydrophobicContact CD2-CE1 3.71Å; L546-F576 HydrophobicContact CG-CD1 4.48Å; L546-F576 HydrophobicContact CG-CE1 4.45Å; L546-F576 WeakPolarHBondContact O-CA 3.48Å; V548-F576 HydrophobicContact CG2-CD1 4.05Å; N572-F576 HydrophobicContact CB-CD2 4.46Å; N572-F576 PolarHBondContact O-N 2.97Å; P573-F576 CarbonylContact C-O 3.44Å; P573-F576 WeakPolarHBondContact CA-O 3.39Å; F576-E1007 HydrophobicContact CD1-CG 4.36Å; F576-E1007 HydrophobicContact CD2-CB 4.32Å; F576-E1007 HydrophobicContact CD2-CG 3.69Å; F576-E1007 WeakPolarHBondContact CD2-OE1 3.33Å; F576-E1007 HydrophobicContact CE1-CB 4.18Å; F576-E1007 HydrophobicContact CE1-CG 4.04Å; F576-E1007 HydrophobicContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CD 3.45Å; F576-E1007 HydrophobicContact CE2-CG 3.36Å; F576-E1007 HydrophobicContact CG-CG 4.2Å; F576-E1007 HydrophobicContact CZ-CB 3.39Å; F576-E1007 HydrophobicContact CZ-CG 3.55Å; F576-Y1010 HydrophobicContact CE1-CD2 4.29Å; F576-L1011 HydrophobicContact CZ-CD1 4.28Å; F576-L1011 HydrophobicContact CZ-CD2 4.16Å; F576-L1011 HydrophobicContact CZ-CG 3.92Å
577E98.8Very high98.2Very high17 Ų1738.8 Ų38.88%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-128.3115.2170.2-172.7175.6-14500108R545 L546 R547 V548 F579 N600 H601R545-E577 IonicContact CZ-OE1 3.69Å; R545-E577 IonicContact NH2-OE1 2.97Å; R545-E577 PolarHBondContact NH2-OE1 3.48Å; R545-E577 IonicContact NH2-OE2 3.34Å; R545-E577 PolarHBondContact NH2-OE2 3.46Å; L546-E577 PolarHBondContact O-N 3.24Å; R547-E577 WeakPolarHBondContact CA-O 3.09Å; R547-E577 HydrophobicContact CG-CB 4.18Å; R547-E577 IonicContact CZ-OE2 2.76Å; R547-E577 IonicContact NE-OE2 3.76Å; R547-E577 PolarHBondContact NE-OE2 2.95Å; R547-E577 IonicContact NH2-OE2 2.65Å; V548-E577 PolarHBondContact N-O 3.45Å; E577-F579 HydrophobicContact CB-CE2 4.11Å; E577-F579 HydrophobicContact CG-CD2 4.39Å; E577-F579 HydrophobicContact CG-CE2 3.55Å; E577-F579 HydrophobicContact CG-CZ 4.05Å; E577-F579 WeakPolarHBondContact O-CD2 3.3Å; E577-N600 WeakPolarHBondContact CA-OD1 3.4Å; E577-N600 HydrophobicContact CG-CB 4.24Å; E577-H601 IonicContact OE1-CD2 3.7Å; E577-H601 IonicContact OE1-CE1 3.82Å; E577-H601 IonicContact OE1-NE2 2.8Å; E577-H601 PolarHBondContact OE1-NE2 3.19Å
578V98.9Very high98.1Very high0 Ų041.2 Ų41.20%024%0.244CC..EExtended strand (participates in β ladder)trans-95127.1-170.3-1780000111.1Y550 P568 H571 A599 N600 H601Y550-V578 HydrophobicContact CD2-CG1 4.02Å; Y550-V578 HydrophobicContact CE2-CG1 4.2Å; P568-V578 HydrophobicContact CB-CG1 4.15Å; H571-V578 HydrophobicContact CB-CG2 3.49Å; H571-V578 VanDerWaalsContact CB-CG2 3.49Å; V578-A599 HydrophobicContact CG1-CB 4.4Å; V578-N600 PolarHBondContact N-OD1 3.41Å; V578-N600 WeakPolarHBondContact O-CB 3.4Å; V578-N600 PolarHBondContact O-N 3.48Å; V578-N600 VanDerWaalsContact O-N 3.14Å; V578-H601 PolarHBondContact O-N 3.09Å
579F98.9Very high98.1Very high7 Ų741.7 Ų41.73%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-116.8125.6174-63.8-109.4000108.9R547 V548 G549 Y550 E577 Y581 H601 I603 D621 I623R547-F579 HydrophobicContact CB-CD2 4.35Å; R547-F579 HydrophobicContact CB-CE2 3.87Å; R547-F579 HydrophobicContact CG-CE2 3.84Å; R547-F579 HydrophobicContact CG-CZ 4.47Å; V548-F579 PolarHBondContact O-N 3.04Å; G549-F579 CarbonylContact C-O 3.59Å; G549-F579 VanDerWaalsContact CA-O 3.29Å; G549-F579 WeakPolarHBondContact CA-O 3.45Å; Y550-F579 PolarHBondContact N-O 2.64Å; E577-F579 HydrophobicContact CB-CE2 4.11Å; E577-F579 HydrophobicContact CG-CD2 4.39Å; E577-F579 HydrophobicContact CG-CE2 3.55Å; E577-F579 HydrophobicContact CG-CZ 4.05Å; E577-F579 WeakPolarHBondContact O-CD2 3.3Å; F579-Y581 HydrophobicContact CB-CD2 4.42Å; F579-Y581 HydrophobicContact CB-CE2 3.65Å; F579-H601 CarbonylContact C-O 3.48Å; F579-H601 WeakPolarHBondContact CA-O 3.5Å; F579-H601 HydrophobicContact CD1-CB 3.49Å; F579-H601 VanDerWaalsContact CD1-CB 3.49Å; F579-H601 AromaticContact CD1-CD2 3.79Å; F579-H601 AromaticContact CD1-CG 3.8Å; F579-H601 HydrophobicContact CE1-CB 3.77Å; F579-H601 AromaticContact CE1-CD2 3.3Å; F579-H601 WeakPolarHBondContact CE1-CD2 3.47Å; F579-H601 AromaticContact CE1-CG 3.52Å; F579-H601 AromaticContact CE1-NE2 3.98Å; F579-H601 AromaticContact CE2-CD2 3.72Å; F579-H601 HydrophobicContact CG-CB 4.05Å; F579-H601 AromaticContact CZ-CD2 3.26Å; F579-H601 WeakPolarHBondContact CZ-CD2 3.38Å; F579-H601 AromaticContact CZ-CG 3.98Å; F579-H601 AromaticContact CZ-NE2 3.72Å; F579-I603 HydrophobicContact CB-CD1 4.09Å; F579-I603 HydrophobicContact CD1-CD1 3.94Å; F579-D621 HydrophobicContact CD1-CB 3.94Å; F579-D621 HydrophobicContact CE1-CB 3.73Å; F579-D621 HydrophobicContact CZ-CB 4.47Å; F579-I623 HydrophobicContact CB-CD1 3.82Å; F579-I623 HydrophobicContact CD1-CD1 4.01Å; F579-I623 HydrophobicContact CD2-CD1 3.41Å; F579-I623 VanDerWaalsContact CD2-CD1 3.41Å; F579-I623 HydrophobicContact CE1-CD1 4.47Å; F579-I623 HydrophobicContact CE2-CD1 3.92Å; F579-I623 HydrophobicContact CG-CD1 3.48Å; F579-I623 VanDerWaalsContact CG-CD1 3.48Å; F579-I623 HydrophobicContact CZ-CD1 4.44Å
580C98.9Very high98.1Very high0 Ų042.4 Ų42.40%024%0.241CC..EExtended strand (participates in β ladder)trans-109.6120.9173.5-75.20000109.9F555 V595 A599 H601 F602 I603F555-C580 HydrophobicContact CE2-CB 4.1Å; F555-C580 HydrophobicContact CZ-CB 4.1Å; C580-V595 HydrophobicContact CB-CG1 4.27Å; C580-A599 HydrophobicContact CB-CB 3.99Å; C580-H601 PolarHBondContact N-O 3.19Å; C580-F602 HydrophobicContact CB-CD2 3.56Å; C580-F602 HydrophobicContact CB-CE2 3.81Å; C580-F602 HydrophobicContact CB-CG 4.49Å; C580-I603 PolarHBondContact O-N 3.4Å
581Y98.9Very high98.1Very high0 Ų039.1 Ų39.10%023%0.225CC..EExtended strand (participates in β ladder)trans-107.6104.5-179-61.9-84.7000110.5Y550 V551 S552 F579 I603 L605 I618 D621 I623 L626Y550-Y581 PolarHBondContact O-N 2.89Å; V551-Y581 HydrophobicContact CG2-CD2 3.94Å; V551-Y581 HydrophobicContact CG2-CG 4.3Å; S552-Y581 PolarHBondContact N-O 3.17Å; F579-Y581 HydrophobicContact CB-CD2 4.42Å; F579-Y581 HydrophobicContact CB-CE2 3.65Å; Y581-I603 CarbonylContact C-O 3.55Å; Y581-I603 WeakPolarHBondContact CA-O 3.4Å; Y581-I603 HydrophobicContact CD1-CB 3.56Å; Y581-I603 HydrophobicContact CD1-CD1 4.03Å; Y581-I603 HydrophobicContact CD1-CG1 3.97Å; Y581-I603 HydrophobicContact CD1-CG2 3.77Å; Y581-I603 HydrophobicContact CE1-CB 3.89Å; Y581-I603 HydrophobicContact CE1-CD1 3.75Å; Y581-I603 HydrophobicContact CE1-CG1 3.78Å; Y581-I603 HydrophobicContact CE1-CG2 4.06Å; Y581-I603 HydrophobicContact CG-CB 4.42Å; Y581-L605 HydrophobicContact CD1-CD1 3.78Å; Y581-L605 HydrophobicContact CD1-CD2 4.26Å; Y581-L605 HydrophobicContact CD1-CG 3.98Å; Y581-L605 HydrophobicContact CG-CD1 4.12Å; Y581-I618 HydrophobicContact CD1-CG1 4.07Å; Y581-I618 HydrophobicContact CE1-CG1 3.71Å; Y581-I618 HydrophobicContact CE2-CG1 4.4Å; Y581-D621 VanDerWaalsContact OH-CB 3.29Å; Y581-D621 WeakPolarHBondContact OH-CB 3.5Å; Y581-D621 PolarHBondContact OH-OD2 2.81Å; Y581-I623 HydrophobicContact CE2-CD1 4.26Å; Y581-I623 HydrophobicContact CE2-CG1 4.13Å; Y581-I623 WeakPolarHBondContact OH-CD1 3.45Å; Y581-I623 VanDerWaalsContact OH-CG1 3.22Å; Y581-I623 WeakPolarHBondContact OH-CG1 3.46Å; Y581-L626 HydrophobicContact CD2-CD1 4.38Å; Y581-L626 HydrophobicContact CE2-CD1 4.18Å
582A98.7Very high98.1Very high0 Ų038.6 Ų38.60%022%0.223CC..EExtended strand (participates in β ladder)trans-80.5126.5176.500000112S552 F555 R592 F602 I603 L605 S606S552-A582 WeakPolarHBondContact O-CA 3.38Å; F555-A582 HydrophobicContact CD2-CB 4.17Å; A582-R592 VanDerWaalsContact CB-NH1 3.27Å; A582-F602 HydrophobicContact CB-CE1 3.84Å; A582-F602 HydrophobicContact CB-CZ 3.72Å; A582-I603 PolarHBondContact N-O 3.3Å; A582-L605 CarbonylContact O-C 3.49Å; A582-L605 WeakPolarHBondContact O-CA 3.29Å; A582-L605 WeakPolarHBondContact O-CB 3.45Å; A582-L605 PolarHBondContact O-N 3.45Å; A582-S606 PolarHBondContact O-N 3.12Å; A582-S606 VanDerWaalsContact O-N 3.17Å
583L98.2Very high98.1Very high18 Ų1839.7 Ų39.79%0.09423%0.231CC..SBendtrans-92.9-11.1173.4-54.8-177000112.7V551 S552 L605 R637 L640V551-L583 HydrophobicContact CG1-CD1 3.88Å; V551-L583 HydrophobicContact CG1-CD2 3.71Å; V551-L583 HydrophobicContact CG1-CG 3.84Å; S552-L583 PolarHBondContact O-N 2.98Å; L583-L605 HydrophobicContact CD2-CB 4.06Å; L583-L605 HydrophobicContact CD2-CD1 4.06Å; L583-R637 HydrophobicContact CD1-CB 4.05Å; L583-R637 HydrophobicContact CD1-CG 4.44Å; L583-L640 HydrophobicContact CD2-CD1 3.82Å
584S96.3Very high98.1Very high26 Ų2638.8 Ų38.818%0.18222%0.22CC..SBendtrans-113.2150.317956.90000112S553 R592 S606S553-S584 WeakPolarHBondContact O-CB 3.45Å; S553-S584 PolarHBondContact O-OG 3.34Å; S584-R592 PolarHBondContact O-NH1 2.82Å; S584-R592 PolarHBondContact O-NH2 3.11Å; S584-S606 VanDerWaalsContact C-CB 3.42Å
585P95.5Very high98.1Very high89 Ų8932.8 Ų32.858%0.57819%0.188SC*.  trans-56.9152.9170.1-21.933.2000111.6D587P585-D587 PolarHBondContact O-N 3.4Å
586D97.7Very high98.1Very high78 Ų7830.5 Ų30.542%0.41718%0.18SC..  trans-61128.4172.7-167.3-18.5000110.7G588 R592D586-G588 PolarHBondContact OD1-N 3.15Å; D586-R592 HydrophobicContact CB-CG 4.43Å; D586-R592 WeakPolarHBondContact OD1-CG 3.31Å
587D97.1Very high98.1Very high76 Ų7634.3 Ų34.341%0.40621%0.212SC..  trans-95.50.9178.968.6-1000113.2G556 N557 P585 T589G556-D587 WeakPolarHBondContact CA-OD2 3.32Å; N557-D587 PolarHBondContact N-OD2 3.49Å; P585-D587 PolarHBondContact O-N 3.4Å; D587-T589 VanDerWaalsContact C-N 3.26Å; D587-T589 HydrophobicContact CB-CG2 4.39Å; D587-T589 PolarHBondContact O-N 2.97Å; D587-T589 VanDerWaalsContact OD1-CB 3.27Å; D587-T589 WeakPolarHBondContact OD1-CB 3.5Å; D587-T589 WeakPolarHBondContact OD1-CG2 3.36Å; D587-T589 PolarHBondContact OD1-N 3.24Å; D587-T589 PolarHBondContact OD1-OG1 2.87Å; D587-T589 WeakPolarHBondContact OD2-CG2 3.39Å; D587-T589 PolarHBondContact OD2-OG1 2.65Å
588G97.3Very high98.1Very high51 Ų5136.6 Ų36.653%0.52622%0.223SC..  trans74.79.5178.800000114.6D586D586-G588 PolarHBondContact OD1-N 3.15Å
589T98.2Very high98.1Very high14 Ų1437 Ų379%0.08623%0.227CC..  trans-78.9151.5-178.463.40000111.9N557 D587 F591 R592 V593 E811N557-T589 HydrophobicContact CB-CG2 3.88Å; D587-T589 VanDerWaalsContact C-N 3.26Å; D587-T589 HydrophobicContact CB-CG2 4.39Å; D587-T589 PolarHBondContact O-N 2.97Å; D587-T589 VanDerWaalsContact OD1-CB 3.27Å; D587-T589 WeakPolarHBondContact OD1-CB 3.5Å; D587-T589 WeakPolarHBondContact OD1-CG2 3.36Å; D587-T589 PolarHBondContact OD1-N 3.24Å; D587-T589 PolarHBondContact OD1-OG1 2.87Å; D587-T589 WeakPolarHBondContact OD2-CG2 3.39Å; D587-T589 PolarHBondContact OD2-OG1 2.65Å; T589-F591 PolarHBondContact O-N 2.92Å; T589-R592 PolarHBondContact O-N 2.62Å; T589-R592 PolarHBondContact OG1-N 2.66Å; T589-V593 PolarHBondContact O-N 3.11Å; T589-V593 VanDerWaalsContact O-N 3.13Å; T589-E811 WeakPolarHBondContact CA-OE2 3.46Å
590N98.3Very high98Very high54 Ų5440.1 Ų40.129%0.28924%0.243SC..Hα-helixtrans-60.9-27.1174.7-67.83000111.8K594 K806 E811N590-K594 WeakPolarHBondContact O-CB 3.25Å; N590-K594 PolarHBondContact O-N 3.1Å; N590-K806 PolarHBondContact OD1-NZ 3.33Å; N590-E811 HydrophobicContact CB-CB 3.78Å; N590-E811 HydrophobicContact CB-CG 3.96Å; N590-E811 PolarHBondContact N-OE2 3.07Å; N590-E811 PolarHBondContact ND2-O 2.91Å; N590-E811 VanDerWaalsContact ND2-O 3.14Å; N590-E811 PolarHBondContact OD1-OE2 3.35Å
591F98.2Very high98Very high2 Ų243.6 Ų43.61%0.00926%0.259CS..Hα-helixtrans-62-49.2175.7-51.2-45.1000111.2N557 H562 T589 K594 V595 M701 G810 E811N557-F591 HydrophobicContact CB-CD2 4.42Å; H562-F591 AromaticContact CD2-CD2 3.84Å; H562-F591 AromaticContact CD2-CE2 3.55Å; H562-F591 AromaticContact CD2-CZ 3.83Å; H562-F591 AromaticContact NE2-CD2 3.71Å; H562-F591 AromaticContact NE2-CE2 3.28Å; H562-F591 VanDerWaalsContact NE2-CE2 3.28Å; H562-F591 WeakPolarHBondContact NE2-CE2 3.29Å; H562-F591 AromaticContact NE2-CZ 3.93Å; T589-F591 PolarHBondContact O-N 2.92Å; F591-K594 PolarHBondContact O-N 2.86Å; F591-V595 WeakPolarHBondContact O-CG2 3.5Å; F591-V595 PolarHBondContact O-N 3.26Å; F591-M701 HydrophobicContact CE1-CE 3.63Å; F591-M701 HydrophobicContact CZ-CE 3.63Å; F591-G810 WeakPolarHBondContact CE1-O 3.44Å; F591-E811 HydrophobicContact CD1-CG 4.37Å; F591-E811 HydrophobicContact CD2-CG 4.14Å; F591-E811 HydrophobicContact CE1-CB 4.42Å; F591-E811 HydrophobicContact CE1-CG 4.03Å; F591-E811 HydrophobicContact CE2-CG 3.75Å; F591-E811 HydrophobicContact CG-CG 4.46Å; F591-E811 HydrophobicContact CZ-CB 4.37Å; F591-E811 HydrophobicContact CZ-CG 3.71Å
592R98.3Very high98Very high2 Ų245.8 Ų45.81%0.00827%0.269CS..Hα-helixtrans-60.8-49.4176.6178.948.6168.5-112-3.5110.9F555 A582 S584 D586 T589 K594 V595 M596 F602F555-R592 WeakPolarHBondContact O-CD 3.4Å; F555-R592 PolarHBondContact O-NH1 2.7Å; A582-R592 VanDerWaalsContact CB-NH1 3.27Å; S584-R592 PolarHBondContact O-NH1 2.82Å; S584-R592 PolarHBondContact O-NH2 3.11Å; D586-R592 HydrophobicContact CB-CG 4.43Å; D586-R592 WeakPolarHBondContact OD1-CG 3.31Å; T589-R592 PolarHBondContact O-N 2.62Å; T589-R592 PolarHBondContact OG1-N 2.66Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-K594 PolarHBondContact O-N 2.87Å; R592-V595 PolarHBondContact O-N 3.38Å; R592-M596 HydrophobicContact CG-SD 3.82Å; R592-M596 WeakPolarHBondContact O-CB 3.4Å; R592-M596 WeakPolarHBondContact O-CG 3.5Å; R592-M596 PolarHBondContact O-N 3.39Å; R592-F602 VanDerWaalsContact CZ-CZ 3.44Å
593V98.4Very high98Very high80 Ų8046 Ų4649%0.48527%0.27SS..Hα-helixtrans-60.1-41.9178.9176.20000112.1T589 M596 A597T589-V593 PolarHBondContact O-N 3.11Å; T589-V593 VanDerWaalsContact O-N 3.13Å; V593-M596 PolarHBondContact O-N 3.26Å; V593-A597 WeakPolarHBondContact O-CB 3.46Å; V593-A597 PolarHBondContact O-N 3.42Å
594K98.3Very high98Very high50 Ų5047.6 Ų47.622%0.21728%0.279CS..Hα-helixtrans-62.1-51.7177.8176.4-179.4159.274.10111.2Q565 S566 N590 F591 R592 M596 A597 E598Q565-K594 HydrophobicContact CG-CD 4.49Å; S566-K594 VanDerWaalsContact OG-CE 3.28Å; S566-K594 WeakPolarHBondContact OG-CE 3.46Å; S566-K594 PolarHBondContact OG-NZ 3Å; N590-K594 WeakPolarHBondContact O-CB 3.25Å; N590-K594 PolarHBondContact O-N 3.1Å; F591-K594 PolarHBondContact O-N 2.86Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-K594 PolarHBondContact O-N 2.87Å; K594-M596 VanDerWaalsContact C-N 3.27Å; K594-M596 PolarHBondContact O-N 2.91Å; K594-A597 PolarHBondContact O-N 3.11Å; K594-A597 VanDerWaalsContact O-N 3.14Å; K594-E598 WeakPolarHBondContact CE-OE2 3.47Å; K594-E598 HydrophobicContact CG-CG 4.33Å; K594-E598 VanDerWaalsContact NZ-CD 3.26Å; K594-E598 IonicContact NZ-OE1 3.3Å; K594-E598 PolarHBondContact NZ-OE1 3.27Å; K594-E598 IonicContact NZ-OE2 2.64Å; K594-E598 PolarHBondContact NZ-OE2 2.88Å; K594-E598 VanDerWaalsContact NZ-OE2 3.16Å; K594-E598 WeakPolarHBondContact O-CB 3.32Å; K594-E598 WeakPolarHBondContact O-CG 3.49Å; K594-E598 PolarHBondContact O-N 3.35Å
595V98.4Very high98.1Very high0 Ų046.4 Ų46.40%027%0.27CS..Hα-helixtrans-61.8-38.3179176.70000111.2F555 Q565 P568 C580 F591 R592 A597 E598 A599 F602F555-V595 HydrophobicContact CD1-CG1 3.91Å; F555-V595 HydrophobicContact CE1-CG1 4.05Å; F555-V595 HydrophobicContact CG-CG1 4.49Å; Q565-V595 HydrophobicContact CB-CG2 3.78Å; P568-V595 HydrophobicContact CG-CG1 4.25Å; C580-V595 HydrophobicContact CB-CG1 4.27Å; F591-V595 WeakPolarHBondContact O-CG2 3.5Å; F591-V595 PolarHBondContact O-N 3.26Å; R592-V595 PolarHBondContact O-N 3.38Å; V595-A597 VanDerWaalsContact C-N 3.33Å; V595-A597 PolarHBondContact O-N 3.39Å; V595-E598 PolarHBondContact O-N 3.46Å; V595-A599 WeakPolarHBondContact O-CB 3.48Å; V595-A599 PolarHBondContact O-N 2.98Å; V595-F602 HydrophobicContact CG1-CD2 4.39Å; V595-F602 HydrophobicContact CG1-CE2 3.99Å
596M98.3Very high98.1Very high73 Ų7343.6 Ų43.636%0.3625%0.253SS..Hα-helixtrans-60-40.6174.7-73.9173.266.500113.2R592 V593 K594 F602R592-M596 HydrophobicContact CG-SD 3.82Å; R592-M596 WeakPolarHBondContact O-CB 3.4Å; R592-M596 WeakPolarHBondContact O-CG 3.5Å; R592-M596 PolarHBondContact O-N 3.39Å; V593-M596 PolarHBondContact O-N 3.26Å; K594-M596 VanDerWaalsContact C-N 3.27Å; K594-M596 PolarHBondContact O-N 2.91Å; M596-F602 VanDerWaalsContact CA-CD2 3.45Å; M596-F602 HydrophobicContact CB-CB 4.45Å; M596-F602 HydrophobicContact CB-CD1 4.49Å; M596-F602 HydrophobicContact CB-CD2 4.05Å; M596-F602 HydrophobicContact CB-CE2 4.41Å; M596-F602 HydrophobicContact CB-CG 4.07Å; M596-F602 HydrophobicContact CE-CD1 4.42Å; M596-F602 HydrophobicContact CG-CB 4.38Å; M596-F602 HydrophobicContact CG-CD1 3.57Å; M596-F602 HydrophobicContact CG-CD2 3.54Å; M596-F602 HydrophobicContact CG-CE1 3.57Å; M596-F602 HydrophobicContact CG-CE2 3.53Å; M596-F602 HydrophobicContact CG-CG 3.54Å; M596-F602 HydrophobicContact CG-CZ 3.54Å; M596-F602 HydrophobicContact SD-CD1 4.42Å; M596-F602 HydrophobicContact SD-CE1 4.17Å; M596-F602 HydrophobicContact SD-CZ 4.41Å
597A98.3Very high98Very high84 Ų8446.3 Ų46.369%0.69426%0.263SS*.Hα-helixtrans-79.8-29.7-179.600000113.2V593 K594 V595V593-A597 WeakPolarHBondContact O-CB 3.46Å; V593-A597 PolarHBondContact O-N 3.42Å; K594-A597 PolarHBondContact O-N 3.11Å; K594-A597 VanDerWaalsContact O-N 3.14Å; V595-A597 VanDerWaalsContact C-N 3.33Å; V595-A597 PolarHBondContact O-N 3.39Å
598E98.4Very high97.9Very high65 Ų6544.8 Ų44.830%0.30425%0.254SS..Hα-helixtrans-88.4-28.1-174.8-77.5-174.2-177.200114K594 V595K594-E598 WeakPolarHBondContact CE-OE2 3.47Å; K594-E598 HydrophobicContact CG-CG 4.33Å; K594-E598 VanDerWaalsContact NZ-CD 3.26Å; K594-E598 IonicContact NZ-OE1 3.3Å; K594-E598 PolarHBondContact NZ-OE1 3.27Å; K594-E598 IonicContact NZ-OE2 2.64Å; K594-E598 PolarHBondContact NZ-OE2 2.88Å; K594-E598 VanDerWaalsContact NZ-OE2 3.16Å; K594-E598 WeakPolarHBondContact O-CB 3.32Å; K594-E598 WeakPolarHBondContact O-CG 3.49Å; K594-E598 PolarHBondContact O-N 3.35Å; V595-E598 PolarHBondContact O-N 3.46Å
599A98.4Very high97.4Very high9 Ų947.7 Ų47.77%0.07426%0.264CS..SBendtrans-65.9143.617000000110.3V578 C580 V595 H601V578-A599 HydrophobicContact CG1-CB 4.4Å; C580-A599 HydrophobicContact CB-CB 3.99Å; V595-A599 WeakPolarHBondContact O-CB 3.48Å; V595-A599 PolarHBondContact O-N 2.98Å; A599-H601 WeakPolarHBondContact CB-O 3.19Å; A599-H601 PolarHBondContact O-N 3.08Å
600N98.6Very high97.1Very high72 Ų7249.5 Ų49.539%0.38528%0.277SS..SBendtrans-62.8-35.7172.4-57.1123.9000110.9E577 V578E577-N600 WeakPolarHBondContact CA-OD1 3.4Å; E577-N600 HydrophobicContact CG-CB 4.24Å; V578-N600 PolarHBondContact N-OD1 3.41Å; V578-N600 WeakPolarHBondContact O-CB 3.4Å; V578-N600 PolarHBondContact O-N 3.48Å; V578-N600 VanDerWaalsContact O-N 3.14Å
601H98.8Very high96.9Very high72 Ų7248.5 Ų48.533%0.33327%0.271SS..EExtended strand (participates in β ladder)trans-136.2131.4175.5-55.3-80.8000110.2E577 V578 F579 C580 A599 I603E577-H601 IonicContact OE1-CD2 3.7Å; E577-H601 IonicContact OE1-CE1 3.82Å; E577-H601 IonicContact OE1-NE2 2.8Å; E577-H601 PolarHBondContact OE1-NE2 3.19Å; V578-H601 PolarHBondContact O-N 3.09Å; F579-H601 CarbonylContact C-O 3.48Å; F579-H601 WeakPolarHBondContact CA-O 3.5Å; F579-H601 HydrophobicContact CD1-CB 3.49Å; F579-H601 VanDerWaalsContact CD1-CB 3.49Å; F579-H601 AromaticContact CD1-CD2 3.79Å; F579-H601 AromaticContact CD1-CG 3.8Å; F579-H601 HydrophobicContact CE1-CB 3.77Å; F579-H601 AromaticContact CE1-CD2 3.3Å; F579-H601 WeakPolarHBondContact CE1-CD2 3.47Å; F579-H601 AromaticContact CE1-CG 3.52Å; F579-H601 AromaticContact CE1-NE2 3.98Å; F579-H601 AromaticContact CE2-CD2 3.72Å; F579-H601 HydrophobicContact CG-CB 4.05Å; F579-H601 AromaticContact CZ-CD2 3.26Å; F579-H601 WeakPolarHBondContact CZ-CD2 3.38Å; F579-H601 AromaticContact CZ-CG 3.98Å; F579-H601 AromaticContact CZ-NE2 3.72Å; C580-H601 PolarHBondContact N-O 3.19Å; A599-H601 WeakPolarHBondContact CB-O 3.19Å; A599-H601 PolarHBondContact O-N 3.08Å; H601-I603 HydrophobicContact CB-CD1 3.99Å
602F98.8Very high96.7Very high47 Ų4748.6 Ų48.621%0.20627%0.273CS..EExtended strand (participates in β ladder)trans-117.8130.4172.5-163.8-82.5000110.8F555 C580 A582 R592 V595 M596F555-F602 HydrophobicContact CD2-CE2 4.4Å; F555-F602 HydrophobicContact CD2-CZ 4.43Å; C580-F602 HydrophobicContact CB-CD2 3.56Å; C580-F602 HydrophobicContact CB-CE2 3.81Å; C580-F602 HydrophobicContact CB-CG 4.49Å; A582-F602 HydrophobicContact CB-CE1 3.84Å; A582-F602 HydrophobicContact CB-CZ 3.72Å; R592-F602 VanDerWaalsContact CZ-CZ 3.44Å; V595-F602 HydrophobicContact CG1-CD2 4.39Å; V595-F602 HydrophobicContact CG1-CE2 3.99Å; M596-F602 VanDerWaalsContact CA-CD2 3.45Å; M596-F602 HydrophobicContact CB-CB 4.45Å; M596-F602 HydrophobicContact CB-CD1 4.49Å; M596-F602 HydrophobicContact CB-CD2 4.05Å; M596-F602 HydrophobicContact CB-CE2 4.41Å; M596-F602 HydrophobicContact CB-CG 4.07Å; M596-F602 HydrophobicContact CE-CD1 4.42Å; M596-F602 HydrophobicContact CG-CB 4.38Å; M596-F602 HydrophobicContact CG-CD1 3.57Å; M596-F602 HydrophobicContact CG-CD2 3.54Å; M596-F602 HydrophobicContact CG-CE1 3.57Å; M596-F602 HydrophobicContact CG-CE2 3.53Å; M596-F602 HydrophobicContact CG-CG 3.54Å; M596-F602 HydrophobicContact CG-CZ 3.54Å; M596-F602 HydrophobicContact SD-CD1 4.42Å; M596-F602 HydrophobicContact SD-CE1 4.17Å; M596-F602 HydrophobicContact SD-CZ 4.41Å
603I98.8Very high96.7Very high4 Ų455.3 Ų55.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-128.1118.3-171.1-55.987.6000108.9F579 C580 Y581 A582 H601 L605 R617F579-I603 HydrophobicContact CB-CD1 4.09Å; F579-I603 HydrophobicContact CD1-CD1 3.94Å; C580-I603 PolarHBondContact O-N 3.4Å; Y581-I603 CarbonylContact C-O 3.55Å; Y581-I603 WeakPolarHBondContact CA-O 3.4Å; Y581-I603 HydrophobicContact CD1-CB 3.56Å; Y581-I603 HydrophobicContact CD1-CD1 4.03Å; Y581-I603 HydrophobicContact CD1-CG1 3.97Å; Y581-I603 HydrophobicContact CD1-CG2 3.77Å; Y581-I603 HydrophobicContact CE1-CB 3.89Å; Y581-I603 HydrophobicContact CE1-CD1 3.75Å; Y581-I603 HydrophobicContact CE1-CG1 3.78Å; Y581-I603 HydrophobicContact CE1-CG2 4.06Å; Y581-I603 HydrophobicContact CG-CB 4.42Å; A582-I603 PolarHBondContact N-O 3.3Å; H601-I603 HydrophobicContact CB-CD1 3.99Å; I603-L605 HydrophobicContact CG2-CD2 3.68Å; I603-L605 HydrophobicContact CG2-CG 4.14Å; I603-L605 PolarHBondContact O-N 3.28Å; I603-R617 HydrophobicContact CG2-CG 4.28Å
604D98.4Very high96.7Very high52 Ų5251.5 Ų51.528%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-88.295.2174.2-171.87.1000111.2S606 Q607D604-S606 VanDerWaalsContact C-N 3.28Å; D604-S606 VanDerWaalsContact CG-OG 3.24Å; D604-S606 WeakPolarHBondContact OD1-CB 3.42Å; D604-S606 PolarHBondContact OD1-N 3.19Å; D604-S606 PolarHBondContact OD1-OG 3.48Å; D604-S606 PolarHBondContact OD2-OG 2.97Å; D604-Q607 WeakPolarHBondContact OD2-CG 3.27Å; D604-Q607 PolarHBondContact OD2-NE2 3.43Å
605L98.4Very high96.7Very high0 Ų049.1 Ų49.10%027%0.269CS..G310 helixtrans-80.9-6.9174.6-61-175.8000112.8Y581 A582 L583 I603 Q607 I608 A614 R617 I618 R637 L640Y581-L605 HydrophobicContact CD1-CD1 3.78Å; Y581-L605 HydrophobicContact CD1-CD2 4.26Å; Y581-L605 HydrophobicContact CD1-CG 3.98Å; Y581-L605 HydrophobicContact CG-CD1 4.12Å; A582-L605 CarbonylContact O-C 3.49Å; A582-L605 WeakPolarHBondContact O-CA 3.29Å; A582-L605 WeakPolarHBondContact O-CB 3.45Å; A582-L605 PolarHBondContact O-N 3.45Å; L583-L605 HydrophobicContact CD2-CB 4.06Å; L583-L605 HydrophobicContact CD2-CD1 4.06Å; I603-L605 HydrophobicContact CG2-CD2 3.68Å; I603-L605 HydrophobicContact CG2-CG 4.14Å; I603-L605 PolarHBondContact O-N 3.28Å; L605-Q607 PolarHBondContact O-N 2.89Å; L605-I608 HydrophobicContact CD2-CD1 4Å; L605-I608 CarbonylContact O-C 3.53Å; L605-I608 PolarHBondContact O-N 2.97Å; L605-A614 HydrophobicContact CD1-CB 4.33Å; L605-A614 HydrophobicContact CD2-CB 4.17Å; L605-R617 HydrophobicContact CD2-CG 4.41Å; L605-I618 HydrophobicContact CD1-CD1 4.22Å; L605-R637 PolarHBondContact O-NH1 3.08Å; L605-L640 HydrophobicContact CD1-CD1 4.09Å
606S95.7Very high96.7Very high30 Ų3051.5 Ų51.521%0.2128%0.281CS..G310 helixtrans-63.1-27.8174.476.90000111.8A582 S584 D604 I608A582-S606 PolarHBondContact O-N 3.12Å; A582-S606 VanDerWaalsContact O-N 3.17Å; S584-S606 VanDerWaalsContact C-CB 3.42Å; D604-S606 VanDerWaalsContact C-N 3.28Å; D604-S606 VanDerWaalsContact CG-OG 3.24Å; D604-S606 WeakPolarHBondContact OD1-CB 3.42Å; D604-S606 PolarHBondContact OD1-N 3.19Å; D604-S606 PolarHBondContact OD1-OG 3.48Å; D604-S606 PolarHBondContact OD2-OG 2.97Å; S606-I608 VanDerWaalsContact C-N 3.26Å; S606-I608 PolarHBondContact O-N 3.18Å
607Q94.5Very high96.7Very high135 Ų13551.9 Ų51.963%0.63128%0.279SS*.G310 helixtrans-77.8-8.5174.2-52.6-53.1-41.500113.5D604 L605 P609D604-Q607 WeakPolarHBondContact OD2-CG 3.27Å; D604-Q607 PolarHBondContact OD2-NE2 3.43Å; L605-Q607 PolarHBondContact O-N 2.89Å; Q607-P609 WeakPolarHBondContact O-CD 3.36Å
608I95.4Very high96.7Very high44 Ų4447.9 Ų47.923%0.22625%0.246CC..  trans-114.882.9-177.5-49.9-178000108.9L605 S606 C610 K613 A614 R637L605-I608 HydrophobicContact CD2-CD1 4Å; L605-I608 CarbonylContact O-C 3.53Å; L605-I608 PolarHBondContact O-N 2.97Å; S606-I608 VanDerWaalsContact C-N 3.26Å; S606-I608 PolarHBondContact O-N 3.18Å; I608-C610 VanDerWaalsContact C-N 3.26Å; I608-C610 PolarHBondContact O-N 3.26Å; I608-K613 HydrophobicContact CG2-CB 3.7Å; I608-A614 HydrophobicContact CB-CB 4.46Å; I608-A614 HydrophobicContact CG2-CB 4.08Å; I608-R637 VanDerWaalsContact O-CZ 3.3Å; I608-R637 PolarHBondContact O-NH1 3.17Å; I608-R637 PolarHBondContact O-NH2 3.24Å
609P87.3Confident96.7Very high113 Ų11347.6 Ų47.673%0.73424%0.244SC*.  trans-65.9-29.1-177.325.1-34.2000112.5Q607 N611 R637Q607-P609 WeakPolarHBondContact O-CD 3.36Å; P609-N611 PolarHBondContact O-N 3.23Å; P609-R637 PolarHBondContact O-NH2 3.43Å
610C91.3Very high96.8Very high51 Ų5153.9 Ų53.935%0.34527%0.272SS..  trans-72.5115.7177.5179.90000111.2I608 G612 K613 A614I608-C610 VanDerWaalsContact C-N 3.26Å; I608-C610 PolarHBondContact O-N 3.26Å; C610-G612 VanDerWaalsContact C-N 3.3Å; C610-G612 PolarHBondContact O-N 3.31Å; C610-K613 HydrophobicContact CB-CB 4.2Å; C610-K613 HydrophobicContact CB-CD 4.21Å; C610-K613 HydrophobicContact CB-CG 4.14Å; C610-K613 PolarHBondContact O-N 3.37Å; C610-A614 PolarHBondContact O-N 3.37Å; C610-A614 VanDerWaalsContact O-N 3.09Å
611N93.6Very high96.8Very high34 Ų3451.7 Ų51.718%0.18226%0.26CS..Hα-helixtrans-58.8-38.5176.6-70.2-29.1000112.9P609 K613 A614 A615 R637 E639 L640 L643P609-N611 PolarHBondContact O-N 3.23Å; N611-K613 PolarHBondContact O-N 2.96Å; N611-A614 PolarHBondContact O-N 2.95Å; N611-A615 WeakPolarHBondContact O-CB 3.47Å; N611-A615 PolarHBondContact O-N 2.89Å; N611-R637 VanDerWaalsContact OD1-CZ 3.26Å; N611-R637 PolarHBondContact OD1-NE 3.02Å; N611-R637 PolarHBondContact OD1-NH2 3.49Å; N611-E639 HydrophobicContact CB-CB 4.42Å; N611-E639 WeakPolarHBondContact ND2-CB 3.45Å; N611-L640 HydrophobicContact CB-CD2 3.97Å; N611-L640 WeakPolarHBondContact O-CD2 3.42Å; N611-L643 HydrophobicContact CB-CD1 4.42Å
612G95.4Very high96.7Very high4 Ų448.8 Ų48.84%0.04125%0.25CS..Hα-helixtrans-58.9-48.2177.500000112.7C610 A615 D616C610-G612 VanDerWaalsContact C-N 3.3Å; C610-G612 PolarHBondContact O-N 3.31Å; G612-A615 PolarHBondContact O-N 3.25Å; G612-D616 VanDerWaalsContact O-CG 3.28Å; G612-D616 PolarHBondContact O-N 3.05Å; G612-D616 VanDerWaalsContact O-OD2 3.08Å
613K96.8Very high96.7Very high143 Ų14346.6 Ų46.662%0.62224%0.241SC*.Hα-helixtrans-66.5-38.2177.8-69.2-175.8178.7-177.90112.6I608 C610 N611 D616 R617I608-K613 HydrophobicContact CG2-CB 3.7Å; C610-K613 HydrophobicContact CB-CB 4.2Å; C610-K613 HydrophobicContact CB-CD 4.21Å; C610-K613 HydrophobicContact CB-CG 4.14Å; C610-K613 PolarHBondContact O-N 3.37Å; N611-K613 PolarHBondContact O-N 2.96Å; K613-D616 PolarHBondContact O-N 2.99Å; K613-R617 PolarHBondContact O-N 3.43Å
614A98.2Very high96.7Very high0 Ų046.5 Ų46.50%024%0.24CC..Hα-helixtrans-65.8-41.2176.300000111.4L605 I608 C610 N611 R617 I618 L640L605-A614 HydrophobicContact CD1-CB 4.33Å; L605-A614 HydrophobicContact CD2-CB 4.17Å; I608-A614 HydrophobicContact CB-CB 4.46Å; I608-A614 HydrophobicContact CG2-CB 4.08Å; C610-A614 PolarHBondContact O-N 3.37Å; C610-A614 VanDerWaalsContact O-N 3.09Å; N611-A614 PolarHBondContact O-N 2.95Å; A614-R617 WeakPolarHBondContact O-CB 3.35Å; A614-R617 PolarHBondContact O-N 2.89Å; A614-I618 WeakPolarHBondContact O-CG1 3.43Å; A614-I618 PolarHBondContact O-N 3.03Å; A614-I618 VanDerWaalsContact O-N 3.09Å; A614-L640 HydrophobicContact CB-CD1 4.5Å; A614-L640 HydrophobicContact CB-CD2 3.59Å
615A98.7Very high96.8Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-66.5-38.5173.600000112.3Y533 N611 G612 R617 I618 H619 L643 P645Y533-A615 HydrophobicContact CE2-CB 4.22Å; Y533-A615 VanDerWaalsContact OH-C 3.22Å; Y533-A615 WeakPolarHBondContact OH-CB 3.35Å; N611-A615 WeakPolarHBondContact O-CB 3.47Å; N611-A615 PolarHBondContact O-N 2.89Å; G612-A615 PolarHBondContact O-N 3.25Å; A615-R617 VanDerWaalsContact C-N 3.27Å; A615-R617 PolarHBondContact O-N 3.2Å; A615-I618 PolarHBondContact O-N 3.41Å; A615-H619 PolarHBondContact O-N 3.43Å; A615-L643 HydrophobicContact CB-CB 3.97Å; A615-L643 HydrophobicContact CB-CD1 3.56Å; A615-L643 HydrophobicContact CB-CG 4.38Å; A615-P645 HydrophobicContact CB-CB 4.37Å; A615-P645 HydrophobicContact CB-CG 4.45Å; A615-P645 WeakPolarHBondContact O-CB 3.39Å
616D98.6Very high96.8Very high49 Ų4944 Ų4426%0.26223%0.227SC..Hα-helixtrans-59.8-40173.4-73.8-39.6000111.3K530 Y533 G612 K613 H619 Q620K530-D616 WeakPolarHBondContact CE-OD1 3.44Å; K530-D616 IonicContact NZ-OD1 2.87Å; K530-D616 PolarHBondContact NZ-OD1 3.27Å; K530-D616 IonicContact NZ-OD2 3.92Å; K530-D616 PolarHBondContact NZ-OD2 3.23Å; Y533-D616 WeakPolarHBondContact CE1-OD1 3.32Å; Y533-D616 PolarHBondContact OH-N 3.4Å; Y533-D616 VanDerWaalsContact OH-N 3.16Å; Y533-D616 PolarHBondContact OH-OD1 2.84Å; G612-D616 VanDerWaalsContact O-CG 3.28Å; G612-D616 PolarHBondContact O-N 3.05Å; G612-D616 VanDerWaalsContact O-OD2 3.08Å; K613-D616 PolarHBondContact O-N 2.99Å; D616-H619 PolarHBondContact O-N 3.22Å; D616-Q620 WeakPolarHBondContact O-CB 3Å; D616-Q620 WeakPolarHBondContact O-CG 3.47Å; D616-Q620 PolarHBondContact O-N 3.49Å
617R98.7Very high97Very high82 Ų8242.6 Ų42.631%0.30922%0.217SC..Hα-helixtrans-62.4-46.7174.717258.7-163.3-852.4112I603 L605 K613 A614 A615 H619 Q620 D621I603-R617 HydrophobicContact CG2-CG 4.28Å; L605-R617 HydrophobicContact CD2-CG 4.41Å; K613-R617 PolarHBondContact O-N 3.43Å; A614-R617 WeakPolarHBondContact O-CB 3.35Å; A614-R617 PolarHBondContact O-N 2.89Å; A615-R617 VanDerWaalsContact C-N 3.27Å; A615-R617 PolarHBondContact O-N 3.2Å; R617-H619 VanDerWaalsContact C-N 3.28Å; R617-H619 PolarHBondContact O-N 2.96Å; R617-Q620 PolarHBondContact O-N 2.92Å; R617-D621 IonicContact CZ-OD1 3.41Å; R617-D621 IonicContact CZ-OD2 2.7Å; R617-D621 VanDerWaalsContact NE-CG 3.29Å; R617-D621 IonicContact NE-OD1 3.04Å; R617-D621 PolarHBondContact NE-OD1 3.39Å; R617-D621 IonicContact NE-OD2 3.34Å; R617-D621 PolarHBondContact NE-OD2 3.39Å; R617-D621 IonicContact NH2-OD1 3.78Å; R617-D621 PolarHBondContact NH2-OD1 3.34Å; R617-D621 IonicContact NH2-OD2 2.82Å; R617-D621 PolarHBondContact NH2-OD2 2.9Å; R617-D621 VanDerWaalsContact NH2-OD2 3.1Å; R617-D621 PolarHBondContact O-N 2.89Å
618I98.8Very high97.2Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-61.3-40.1178-64.8164.2000110.8Y581 L605 A614 A615 D621 G622 I623 L626 P645Y581-I618 HydrophobicContact CD1-CG1 4.07Å; Y581-I618 HydrophobicContact CE1-CG1 3.71Å; Y581-I618 HydrophobicContact CE2-CG1 4.4Å; L605-I618 HydrophobicContact CD1-CD1 4.22Å; A614-I618 WeakPolarHBondContact O-CG1 3.43Å; A614-I618 PolarHBondContact O-N 3.03Å; A614-I618 VanDerWaalsContact O-N 3.09Å; A615-I618 PolarHBondContact O-N 3.41Å; I618-D621 PolarHBondContact O-N 3.49Å; I618-G622 PolarHBondContact O-N 3.08Å; I618-I623 HydrophobicContact CG2-CB 4.2Å; I618-I623 HydrophobicContact CG2-CG1 3.91Å; I618-L626 HydrophobicContact CD1-CD2 4.36Å; I618-L626 HydrophobicContact CG2-CD1 3.8Å; I618-L626 HydrophobicContact CG2-CD2 4.14Å; I618-P645 HydrophobicContact CB-CB 3.97Å; I618-P645 HydrophobicContact CB-CG 4.02Å; I618-P645 HydrophobicContact CD1-CG 4.27Å; I618-P645 HydrophobicContact CG2-CB 3.82Å; I618-P645 HydrophobicContact CG2-CG 3.7Å
619H98.7Very high97.3Very high58 Ų5834.3 Ų34.327%0.26918%0.177SC..Hα-helixtrans-66-42.7176.7179.5-107.6000112.4Y533 E534 A615 D616 R617 D621 G622 P645Y533-H619 HydrophobicContact CD1-CB 3.56Å; Y533-H619 AromaticContact CD1-CD2 3.58Å; Y533-H619 AromaticContact CD1-CG 3.25Å; Y533-H619 AromaticContact CD1-ND1 3.59Å; Y533-H619 HydrophobicContact CE1-CB 3.65Å; Y533-H619 AromaticContact CE1-CG 3.83Å; Y533-H619 HydrophobicContact CG-CB 4.21Å; Y533-H619 AromaticContact CG-CD2 3.82Å; Y533-H619 AromaticContact CG-CG 3.92Å; E534-H619 PolarHBondContact O-NE2 2.92Å; A615-H619 PolarHBondContact O-N 3.43Å; D616-H619 PolarHBondContact O-N 3.22Å; R617-H619 VanDerWaalsContact C-N 3.28Å; R617-H619 PolarHBondContact O-N 2.96Å; H619-D621 VanDerWaalsContact C-N 3.28Å; H619-D621 PolarHBondContact O-N 3.26Å; H619-G622 WeakPolarHBondContact O-CA 3.43Å; H619-G622 PolarHBondContact O-N 3.47Å; H619-P645 HydrophobicContact CB-CB 4.33Å
620Q98.5Very high97.8Very high142 Ų14229 Ų2966%0.66414%0.143SC*.Hα-helixtrans-61.1-36.4175.6-73.9163.726.600112.6D616 R617 G622D616-Q620 WeakPolarHBondContact O-CB 3Å; D616-Q620 WeakPolarHBondContact O-CG 3.47Å; D616-Q620 PolarHBondContact O-N 3.49Å; R617-Q620 PolarHBondContact O-N 2.92Å; Q620-G622 PolarHBondContact O-N 3.16Å
621D98.6Very high98.1Very high25 Ų2526.7 Ų26.713%0.13413%0.127CC..THydrogen-bonded Turntrans-68.9-12.9174.4-70.7-5.6000111.5R547 F579 Y581 R617 I618 H619 I623R547-D621 WeakPolarHBondContact CD-O 3.46Å; R547-D621 PolarHBondContact NH1-O 2.86Å; F579-D621 HydrophobicContact CD1-CB 3.94Å; F579-D621 HydrophobicContact CE1-CB 3.73Å; F579-D621 HydrophobicContact CZ-CB 4.47Å; Y581-D621 VanDerWaalsContact OH-CB 3.29Å; Y581-D621 WeakPolarHBondContact OH-CB 3.5Å; Y581-D621 PolarHBondContact OH-OD2 2.81Å; R617-D621 IonicContact CZ-OD1 3.41Å; R617-D621 IonicContact CZ-OD2 2.7Å; R617-D621 VanDerWaalsContact NE-CG 3.29Å; R617-D621 IonicContact NE-OD1 3.04Å; R617-D621 PolarHBondContact NE-OD1 3.39Å; R617-D621 IonicContact NE-OD2 3.34Å; R617-D621 PolarHBondContact NE-OD2 3.39Å; R617-D621 IonicContact NH2-OD1 3.78Å; R617-D621 PolarHBondContact NH2-OD1 3.34Å; R617-D621 IonicContact NH2-OD2 2.82Å; R617-D621 PolarHBondContact NH2-OD2 2.9Å; R617-D621 VanDerWaalsContact NH2-OD2 3.1Å; R617-D621 PolarHBondContact O-N 2.89Å; I618-D621 PolarHBondContact O-N 3.49Å; H619-D621 VanDerWaalsContact C-N 3.28Å; H619-D621 PolarHBondContact O-N 3.26Å; D621-I623 HydrophobicContact CB-CD1 4.22Å; D621-I623 HydrophobicContact CB-CG1 4.31Å
622G98.4Very high98.3Very high12 Ų1225.8 Ų25.812%0.12412%0.122CC..THydrogen-bonded Turntrans69.436.9172.700000113.3R547 I618 H619 Q620 H624R547-G622 WeakPolarHBondContact CD-O 3.43Å; I618-G622 PolarHBondContact O-N 3.08Å; H619-G622 WeakPolarHBondContact O-CA 3.43Å; H619-G622 PolarHBondContact O-N 3.47Å; Q620-G622 PolarHBondContact O-N 3.16Å; G622-H624 PolarHBondContact O-CE1 3.38Å; G622-H624 PolarHBondContact O-N 3.45Å
623I98.9Very high98.2Very high1 Ų127.5 Ų27.51%0.00513%0.131CC..  trans-63.5133.3-178.1-57.5-53.9000111.1R547 F579 Y581 I618 D621 I625 L626 A646 P647R547-I623 HydrophobicContact CB-CD1 4.14Å; F579-I623 HydrophobicContact CB-CD1 3.82Å; F579-I623 HydrophobicContact CD1-CD1 4.01Å; F579-I623 HydrophobicContact CD2-CD1 3.41Å; F579-I623 VanDerWaalsContact CD2-CD1 3.41Å; F579-I623 HydrophobicContact CE1-CD1 4.47Å; F579-I623 HydrophobicContact CE2-CD1 3.92Å; F579-I623 HydrophobicContact CG-CD1 3.48Å; F579-I623 VanDerWaalsContact CG-CD1 3.48Å; F579-I623 HydrophobicContact CZ-CD1 4.44Å; Y581-I623 HydrophobicContact CE2-CD1 4.26Å; Y581-I623 HydrophobicContact CE2-CG1 4.13Å; Y581-I623 WeakPolarHBondContact OH-CD1 3.45Å; Y581-I623 VanDerWaalsContact OH-CG1 3.22Å; Y581-I623 WeakPolarHBondContact OH-CG1 3.46Å; I618-I623 HydrophobicContact CG2-CB 4.2Å; I618-I623 HydrophobicContact CG2-CG1 3.91Å; D621-I623 HydrophobicContact CB-CD1 4.22Å; D621-I623 HydrophobicContact CB-CG1 4.31Å; I623-I625 VanDerWaalsContact CG2-O 3.22Å; I623-I625 WeakPolarHBondContact CG2-O 3.42Å; I623-L626 HydrophobicContact CG2-CB 4.12Å; I623-L626 HydrophobicContact CG2-CD1 3.98Å; I623-A646 HydrophobicContact CB-CB 4.26Å; I623-A646 HydrophobicContact CG2-CB 4.05Å; I623-A646 WeakPolarHBondContact O-CB 3.44Å; I623-P647 VanDerWaalsContact O-CD 3.31Å; I623-P647 WeakPolarHBondContact O-CD 3.25Å
624H98.8Very high97.7Very high2 Ų228.7 Ų28.71%0.00914%0.136CC..SBendtrans-93.1-47.1176.3-54.791.9000111.2S542 L546 R547 G622 P647 I648 W1014S542-H624 PolarHBondContact OG-CE1 3.48Å; S542-H624 VanDerWaalsContact OG-CE1 3.29Å; L546-H624 HydrophobicContact CD1-CB 3.58Å; L546-H624 HydrophobicContact CG-CB 4.37Å; R547-H624 WeakPolarHBondContact CB-ND1 3.35Å; R547-H624 PolarHBondContact N-ND1 2.98Å; R547-H624 PolarHBondContact O-N 3.37Å; G622-H624 PolarHBondContact O-CE1 3.38Å; G622-H624 PolarHBondContact O-N 3.45Å; H624-P647 WeakPolarHBondContact O-CD 3.35Å; H624-P647 WeakPolarHBondContact O-CG 3.27Å; H624-I648 WeakPolarHBondContact O-CB 3.33Å; H624-I648 PolarHBondContact O-N 3.2Å; H624-I648 VanDerWaalsContact O-N 3.14Å; H624-W1014 HydrophobicContact CB-CE3 3.96Å; H624-W1014 HydrophobicContact CB-CZ3 3.82Å; H624-W1014 AromaticContact CD2-CH2 3.37Å; H624-W1014 WeakPolarHBondContact CD2-CH2 3.24Å; H624-W1014 AromaticContact CD2-CZ3 3.51Å; H624-W1014 AromaticContact CG-CZ3 3.97Å
625I98.9Very high97.4Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-118115.1177-56.8-174.2000108.7L546 R547 V548 G549 I623 V627 I648 Y1010 M1013L546-I625 HydrophobicContact CD2-CD1 3.78Å; L546-I625 HydrophobicContact CD2-CG1 4.33Å; R547-I625 PolarHBondContact O-N 3.17Å; V548-I625 CarbonylContact C-O 3.48Å; V548-I625 WeakPolarHBondContact CA-O 3.25Å; V548-I625 HydrophobicContact CG2-CB 4.47Å; G549-I625 PolarHBondContact N-O 3.29Å; I623-I625 VanDerWaalsContact CG2-O 3.22Å; I623-I625 WeakPolarHBondContact CG2-O 3.42Å; I625-V627 HydrophobicContact CG2-CG2 4.12Å; I625-I648 WeakPolarHBondContact CA-O 3.32Å; I625-I648 HydrophobicContact CD1-CD1 4.4Å; I625-I648 HydrophobicContact CG1-CB 4.06Å; I625-I648 HydrophobicContact CG1-CD1 4.04Å; I625-I648 HydrophobicContact CG1-CG2 4.18Å; I625-I648 HydrophobicContact CG2-CG2 4.32Å; I625-Y1010 HydrophobicContact CD1-CD1 3.72Å; I625-Y1010 HydrophobicContact CD1-CG 3.85Å; I625-Y1010 HydrophobicContact CG2-CD1 4.19Å; I625-Y1010 HydrophobicContact CG2-CE1 4.11Å; I625-M1013 HydrophobicContact CD1-CB 4.17Å; I625-M1013 HydrophobicContact CD1-SD 4.32Å
626L98.9Very high97.2Very high0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans-104.4123.7175-165.173.2000110G549 V551 Y581 I618 I623 F641 P645 A646 I648 Q649 A650G549-L626 CarbonylContact O-C 3.56Å; G549-L626 WeakPolarHBondContact O-CA 3.27Å; V551-L626 HydrophobicContact CG2-CD1 3.51Å; V551-L626 HydrophobicContact CG2-CD2 4.26Å; V551-L626 HydrophobicContact CG2-CG 3.83Å; Y581-L626 HydrophobicContact CD2-CD1 4.38Å; Y581-L626 HydrophobicContact CE2-CD1 4.18Å; I618-L626 HydrophobicContact CD1-CD2 4.36Å; I618-L626 HydrophobicContact CG2-CD1 3.8Å; I618-L626 HydrophobicContact CG2-CD2 4.14Å; I623-L626 HydrophobicContact CG2-CB 4.12Å; I623-L626 HydrophobicContact CG2-CD1 3.98Å; L626-F641 HydrophobicContact CB-CE1 4.16Å; L626-F641 HydrophobicContact CD2-CD1 3.86Å; L626-F641 HydrophobicContact CD2-CE1 3.57Å; L626-F641 HydrophobicContact CD2-CZ 4.08Å; L626-F641 HydrophobicContact CG-CD1 4.31Å; L626-F641 HydrophobicContact CG-CE1 3.59Å; L626-F641 HydrophobicContact CG-CZ 4.07Å; L626-P645 HydrophobicContact CD2-CG 3.98Å; L626-A646 HydrophobicContact CB-CB 3.66Å; L626-I648 PolarHBondContact N-O 3.35Å; L626-Q649 HydrophobicContact CB-CG 4.46Å; L626-Q649 CarbonylContact O-C 3.51Å; L626-Q649 VanDerWaalsContact O-CA 3.3Å; L626-Q649 WeakPolarHBondContact O-CA 3.44Å; L626-A650 PolarHBondContact O-N 3.36Å
627V98.9Very high97.1Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-106.5118-172.2-173.50000109.8V548 G549 Y550 V551 I625 M629 A650 W652 Y1010V548-V627 HydrophobicContact CG1-CG2 4.12Å; G549-V627 PolarHBondContact O-N 3.06Å; Y550-V627 HydrophobicContact CD1-CB 3.69Å; Y550-V627 HydrophobicContact CD1-CG1 3.93Å; Y550-V627 HydrophobicContact CD1-CG2 4.01Å; Y550-V627 HydrophobicContact CE1-CB 3.94Å; Y550-V627 HydrophobicContact CE1-CG1 4Å; Y550-V627 HydrophobicContact CE1-CG2 3.82Å; V551-V627 PolarHBondContact N-O 3.36Å; I625-V627 HydrophobicContact CG2-CG2 4.12Å; V627-M629 HydrophobicContact CG1-CG 4.07Å; V627-A650 CarbonylContact C-O 3.52Å; V627-A650 WeakPolarHBondContact CA-O 3.37Å; V627-W652 HydrophobicContact CG1-CB 3.63Å; V627-W652 HydrophobicContact CG1-CD2 4.47Å; V627-W652 HydrophobicContact CG1-CE3 3.94Å; V627-W652 HydrophobicContact CG1-CG 4.42Å; V627-Y1010 HydrophobicContact CG2-CE1 4.49Å; V627-Y1010 WeakPolarHBondContact CG2-OH 3.45Å
628N98.9Very high97.1Very high3 Ų328.1 Ų28.12%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-83.7110.8173.1-170.4-25.1000109.8N630 G631 N638 F641 A650 M651 W652 M664N628-N630 PolarHBondContact OD1-N 3.09Å; N628-G631 PolarHBondContact OD1-N 3.03Å; N628-N638 PolarHBondContact ND2-OD1 3.14Å; N628-F641 HydrophobicContact CB-CD1 4.09Å; N628-F641 HydrophobicContact CB-CD2 4.23Å; N628-F641 HydrophobicContact CB-CE1 3.58Å; N628-F641 HydrophobicContact CB-CE2 3.74Å; N628-F641 HydrophobicContact CB-CG 4.39Å; N628-F641 HydrophobicContact CB-CZ 3.39Å; N628-A650 PolarHBondContact N-O 3.29Å; N628-M651 HydrophobicContact CB-SD 3.69Å; N628-W652 PolarHBondContact O-N 3.24Å; N628-M664 HydrophobicContact CB-CE 3.62Å; N628-M664 HydrophobicContact CB-SD 4.41Å
629M98.7Very high97Very high1 Ų129 Ų291%0.00516%0.155CC..SBendtrans-106.215.1179.6-59.1174.15800113.2Y550 V551 F555 T560 M564 V627 W652 G654Y550-M629 HydrophobicContact CD1-CG 4.37Å; Y550-M629 HydrophobicContact CD1-SD 3.57Å; Y550-M629 VanDerWaalsContact CD1-SD 3.57Å; Y550-M629 HydrophobicContact CG-SD 4.02Å; V551-M629 PolarHBondContact O-N 3.49Å; F555-M629 HydrophobicContact CE1-CE 4.46Å; F555-M629 HydrophobicContact CZ-SD 4.34Å; T560-M629 HydrophobicContact CG2-CE 3.66Å; M564-M629 HydrophobicContact CE-CE 3.61Å; M564-M629 HydrophobicContact CE-SD 4.26Å; M564-M629 HydrophobicContact CG-CE 3.66Å; M564-M629 HydrophobicContact SD-CE 3.52Å; M564-M629 VanDerWaalsContact SD-CE 3.52Å; V627-M629 HydrophobicContact CG1-CG 4.07Å; M629-W652 HydrophobicContact CE-CZ3 4.17Å; M629-W652 HydrophobicContact CG-CE3 4.15Å; M629-W652 HydrophobicContact SD-CE3 4.36Å; M629-W652 HydrophobicContact SD-CZ3 4.27Å; M629-G654 WeakPolarHBondContact O-CA 3.4Å
630N98.4Very high97Very high2 Ų226.2 Ų26.21%0.01114%0.142CC..  trans-117.4-43.7177.6-83.1114.2000112.5S552 S553 D554 N628 Y632 T633 A636 Y655S552-N630 VanDerWaalsContact CA-OD1 3.23Å; S552-N630 WeakPolarHBondContact CA-OD1 3.35Å; S553-N630 PolarHBondContact N-OD1 3.34Å; S553-N630 PolarHBondContact OG-ND2 3.5Å; D554-N630 PolarHBondContact OD1-ND2 2.91Å; N628-N630 PolarHBondContact OD1-N 3.09Å; N630-Y632 PolarHBondContact O-N 3.08Å; N630-T633 VanDerWaalsContact C-OG1 3.32Å; N630-T633 WeakPolarHBondContact CA-OG1 3.36Å; N630-T633 WeakPolarHBondContact CB-OG1 3.31Å; N630-T633 PolarHBondContact ND2-OG1 3.45Å; N630-T633 WeakPolarHBondContact O-CB 3.43Å; N630-T633 WeakPolarHBondContact O-CG2 3.4Å; N630-T633 PolarHBondContact O-N 3.06Å; N630-T633 PolarHBondContact O-OG1 3.29Å; N630-A636 HydrophobicContact CB-CB 3.73Å; N630-Y655 WeakPolarHBondContact O-CB 3.31Å
631G97.2Very high97Very high2 Ų219.5 Ų19.52%0.02111%0.111CC..SBendtrans50.3-131.5-167.400000112.2N628 T633 A636 N638N628-G631 PolarHBondContact OD1-N 3.03Å; G631-T633 VanDerWaalsContact C-N 3.33Å; G631-T633 PolarHBondContact O-N 3.22Å; G631-A636 WeakPolarHBondContact O-CB 3.36Å; G631-N638 PolarHBondContact O-ND2 3.39Å; G631-N638 PolarHBondContact O-OD1 2.83Å
632Y97.3Very high97Very high16 Ų1618.8 Ų18.86%0.06311%0.109CC..SBendtrans-90.466.1177.1-60.3-63.8000111.7H496 P497 A514 H517 G518 N630 Y655 S659H496-Y632 PolarHBondContact CE1-O 3.07Å; H496-Y632 VanDerWaalsContact CE1-O 3.3Å; P497-Y632 HydrophobicContact CB-CD2 3.35Å; P497-Y632 HydrophobicContact CB-CE2 3.94Å; P497-Y632 HydrophobicContact CB-CG 3.72Å; P497-Y632 HydrophobicContact CG-CD1 4.11Å; P497-Y632 HydrophobicContact CG-CD2 3.63Å; P497-Y632 HydrophobicContact CG-CE1 4.43Å; P497-Y632 HydrophobicContact CG-CE2 3.94Å; P497-Y632 HydrophobicContact CG-CG 3.72Å; A514-Y632 HydrophobicContact CB-CE2 4.05Å; A514-Y632 PolarHBondContact O-OH 3.08Å; H517-Y632 HydrophobicContact CB-CD1 4.3Å; H517-Y632 HydrophobicContact CB-CE1 3.65Å; G518-Y632 WeakPolarHBondContact CA-OH 3.32Å; G518-Y632 PolarHBondContact N-OH 3.47Å; G518-Y632 VanDerWaalsContact N-OH 3.1Å; N630-Y632 PolarHBondContact O-N 3.08Å; Y632-Y655 HydrophobicContact CD2-CD1 4.44Å; Y632-Y655 AromaticContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE2 4.31Å; Y632-Y655 AromaticContact CD2-CZ 3.73Å; Y632-S659 WeakPolarHBondContact CE2-O 3.34Å; Y632-S659 VanDerWaalsContact CZ-O 3.27Å; Y632-S659 PolarHBondContact OH-O 3.2Å
633T92.4Very high97Very high40 Ų4019.1 Ų19.125%0.24511%0.108CC..SBendtrans-123.2166.2174.455.40000111.3N630 G631 G635 A636 Y655N630-T633 VanDerWaalsContact C-OG1 3.32Å; N630-T633 WeakPolarHBondContact CA-OG1 3.36Å; N630-T633 WeakPolarHBondContact CB-OG1 3.31Å; N630-T633 PolarHBondContact ND2-OG1 3.45Å; N630-T633 WeakPolarHBondContact O-CB 3.43Å; N630-T633 WeakPolarHBondContact O-CG2 3.4Å; N630-T633 PolarHBondContact O-N 3.06Å; N630-T633 PolarHBondContact O-OG1 3.29Å; G631-T633 VanDerWaalsContact C-N 3.33Å; G631-T633 PolarHBondContact O-N 3.22Å; T633-G635 PolarHBondContact O-N 3.21Å; T633-A636 VanDerWaalsContact O-CB 3.29Å; T633-A636 WeakPolarHBondContact O-CB 3.44Å; T633-A636 PolarHBondContact O-N 3.39Å; T633-Y655 HydrophobicContact CG2-CD2 4.49Å
634K88Confident97Very high168 Ų16823.2 Ų23.273%0.7312%0.123SC*.THydrogen-bonded Turntrans-65.4133.7178.1-172.1175-178177.90109.6S553S553-K634 PolarHBondContact OG-O 3.02Å
635G90.6Very high97Very high44 Ų4423.2 Ų23.245%0.45412%0.123SC..THydrogen-bonded Turntrans92.6-7.9-178.100000114.6T633T633-G635 PolarHBondContact O-N 3.21Å
636A95.8Very high96.9Very high28 Ų2823.2 Ų23.223%0.23112%0.123CC..  trans-62.5140.7177.200000112.4N630 G631 T633N630-A636 HydrophobicContact CB-CB 3.73Å; G631-A636 WeakPolarHBondContact O-CB 3.36Å; T633-A636 VanDerWaalsContact O-CB 3.29Å; T633-A636 WeakPolarHBondContact O-CB 3.44Å; T633-A636 PolarHBondContact O-N 3.39Å
637R96.1Very high96.9Very high34 Ų3423.5 Ų23.513%0.12813%0.125CC..  trans-122.564.9169.4-71.1173.559.3-1766109.6L583 L605 I608 P609 N611 E639 L640L583-R637 HydrophobicContact CD1-CB 4.05Å; L583-R637 HydrophobicContact CD1-CG 4.44Å; L605-R637 PolarHBondContact O-NH1 3.08Å; I608-R637 VanDerWaalsContact O-CZ 3.3Å; I608-R637 PolarHBondContact O-NH1 3.17Å; I608-R637 PolarHBondContact O-NH2 3.24Å; P609-R637 PolarHBondContact O-NH2 3.43Å; N611-R637 VanDerWaalsContact OD1-CZ 3.26Å; N611-R637 PolarHBondContact OD1-NE 3.02Å; N611-R637 PolarHBondContact OD1-NH2 3.49Å; R637-E639 VanDerWaalsContact C-OE2 3.29Å; R637-E639 WeakPolarHBondContact CA-OE2 3.44Å; R637-E639 PolarHBondContact O-N 3.27Å; R637-E639 VanDerWaalsContact O-N 3.13Å; R637-L640 HydrophobicContact CB-CD1 4.01Å; R637-L640 HydrophobicContact CB-CG 4.03Å; R637-L640 WeakPolarHBondContact O-CB 3.43Å; R637-L640 WeakPolarHBondContact O-CG 3.41Å; R637-L640 PolarHBondContact O-N 3.31Å
638N98Very high96.9Very high13 Ų1323.7 Ų23.77%0.0713%0.126CC..THydrogen-bonded Turntrans-63.1-17.6-177.5-66.7-36.3000112.7N628 G631 L640 F641 A642N628-N638 PolarHBondContact ND2-OD1 3.14Å; G631-N638 PolarHBondContact O-ND2 3.39Å; G631-N638 PolarHBondContact O-OD1 2.83Å; N638-L640 PolarHBondContact O-N 2.91Å; N638-F641 WeakPolarHBondContact O-CB 3.48Å; N638-F641 PolarHBondContact O-N 3.45Å; N638-A642 PolarHBondContact O-N 3.11Å
639E96.8Very high96.9Very high17 Ų1723.5 Ų23.58%0.07913%0.125CC..Hα-helixtrans-55.3-30.3168.9-62.385.617100112.6C521 K524 I525 N611 R637 F641 A642 L643C521-E639 HydrophobicContact CB-CG 4.08Å; K524-E639 HydrophobicContact CB-CG 4.07Å; K524-E639 HydrophobicContact CD-CG 3.98Å; K524-E639 WeakPolarHBondContact CD-OE1 3.32Å; K524-E639 IonicContact NZ-OE1 2.77Å; K524-E639 PolarHBondContact NZ-OE1 2.95Å; I525-E639 HydrophobicContact CG2-CB 3.7Å; I525-E639 HydrophobicContact CG2-CG 4.26Å; I525-E639 WeakPolarHBondContact CG2-O 3.46Å; N611-E639 HydrophobicContact CB-CB 4.42Å; N611-E639 WeakPolarHBondContact ND2-CB 3.45Å; R637-E639 VanDerWaalsContact C-OE2 3.29Å; R637-E639 WeakPolarHBondContact CA-OE2 3.44Å; R637-E639 PolarHBondContact O-N 3.27Å; R637-E639 VanDerWaalsContact O-N 3.13Å; E639-F641 VanDerWaalsContact C-N 3.34Å; E639-A642 PolarHBondContact O-N 3.04Å; E639-L643 PolarHBondContact O-N 3.14Å
640L98.5Very high96.9Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-64.3-40.7174.5-59.4-179.9000111.6L583 L605 N611 A614 R637 N638 L643 P645L583-L640 HydrophobicContact CD2-CD1 3.82Å; L605-L640 HydrophobicContact CD1-CD1 4.09Å; N611-L640 HydrophobicContact CB-CD2 3.97Å; N611-L640 WeakPolarHBondContact O-CD2 3.42Å; A614-L640 HydrophobicContact CB-CD1 4.5Å; A614-L640 HydrophobicContact CB-CD2 3.59Å; R637-L640 HydrophobicContact CB-CD1 4.01Å; R637-L640 HydrophobicContact CB-CG 4.03Å; R637-L640 WeakPolarHBondContact O-CB 3.43Å; R637-L640 WeakPolarHBondContact O-CG 3.41Å; R637-L640 PolarHBondContact O-N 3.31Å; N638-L640 PolarHBondContact O-N 2.91Å; L640-L643 PolarHBondContact O-N 2.78Å; L640-P645 WeakPolarHBondContact O-CD 3.25Å
641F98.8Very high97Very high2 Ų223.6 Ų23.61%0.00913%0.125CC..Hα-helixtrans-73.6-35176.3-67.3-89.9000111.3V551 L626 N628 N638 E639 L643 R644 Q649 F663 M664V551-F641 HydrophobicContact CB-CE2 4.05Å; V551-F641 HydrophobicContact CB-CZ 3.76Å; V551-F641 HydrophobicContact CG1-CE2 4.24Å; V551-F641 HydrophobicContact CG1-CZ 4.43Å; V551-F641 HydrophobicContact CG2-CE2 4.32Å; V551-F641 HydrophobicContact CG2-CZ 3.76Å; L626-F641 HydrophobicContact CB-CE1 4.16Å; L626-F641 HydrophobicContact CD2-CD1 3.86Å; L626-F641 HydrophobicContact CD2-CE1 3.57Å; L626-F641 HydrophobicContact CD2-CZ 4.08Å; L626-F641 HydrophobicContact CG-CD1 4.31Å; L626-F641 HydrophobicContact CG-CE1 3.59Å; L626-F641 HydrophobicContact CG-CZ 4.07Å; N628-F641 HydrophobicContact CB-CD1 4.09Å; N628-F641 HydrophobicContact CB-CD2 4.23Å; N628-F641 HydrophobicContact CB-CE1 3.58Å; N628-F641 HydrophobicContact CB-CE2 3.74Å; N628-F641 HydrophobicContact CB-CG 4.39Å; N628-F641 HydrophobicContact CB-CZ 3.39Å; N638-F641 WeakPolarHBondContact O-CB 3.48Å; N638-F641 PolarHBondContact O-N 3.45Å; E639-F641 VanDerWaalsContact C-N 3.34Å; F641-L643 PolarHBondContact O-N 3.19Å; F641-R644 PolarHBondContact O-N 3.34Å; F641-Q649 HydrophobicContact CD1-CB 4.24Å; F641-Q649 HydrophobicContact CD1-CG 4.44Å; F641-Q649 PolarHBondContact O-NE2 3.18Å; F641-Q649 PolarHBondContact O-OE1 2.74Å; F641-F663 HydrophobicContact CB-CD2 3.75Å; F641-F663 HydrophobicContact CB-CE2 3.81Å; F641-M664 HydrophobicContact CB-SD 3.82Å; F641-M664 HydrophobicContact CD1-CE 4.06Å; F641-M664 HydrophobicContact CD1-SD 3.82Å; F641-M664 HydrophobicContact CE1-CE 4.42Å; F641-M664 HydrophobicContact CG-SD 3.98Å
642A98.3Very high97Very high10 Ų1023.7 Ų23.78%0.08313%0.125CC..Hα-helixtrans-58.3-33.1173.400000112.6C521 L522 I525 N638 E639 R644 F663C521-A642 HydrophobicContact CB-CB 4.16Å; L522-A642 HydrophobicContact CD2-CB 4.13Å; I525-A642 VanDerWaalsContact CD1-C 3.46Å; I525-A642 HydrophobicContact CD1-CB 3.6Å; I525-A642 WeakPolarHBondContact CD1-O 3.05Å; I525-A642 HydrophobicContact CG1-CB 4.27Å; I525-A642 HydrophobicContact CG2-CB 4.42Å; N638-A642 PolarHBondContact O-N 3.11Å; E639-A642 PolarHBondContact O-N 3.04Å; A642-R644 PolarHBondContact O-N 2.95Å; A642-F663 HydrophobicContact CB-CD1 3.71Å; A642-F663 HydrophobicContact CB-CE1 3.67Å; A642-F663 HydrophobicContact CB-CG 4.22Å; A642-F663 HydrophobicContact CB-CZ 4.17Å
643L98.4Very high97Very high19 Ų1923.7 Ų23.710%0.09913%0.126CC..THydrogen-bonded Turntrans-73-8.5175.2-76.1165.6000114.1I525 L528 K530 Y533 N611 A615 E639 L640 F641I525-L643 HydrophobicContact CB-CD2 4.01Å; I525-L643 HydrophobicContact CB-CG 4.11Å; I525-L643 HydrophobicContact CD1-CD2 4.03Å; I525-L643 HydrophobicContact CD1-CG 4.09Å; I525-L643 HydrophobicContact CG2-CD1 4.22Å; I525-L643 HydrophobicContact CG2-CD2 4.34Å; I525-L643 HydrophobicContact CG2-CG 3.89Å; L528-L643 HydrophobicContact CD1-CD1 4.32Å; K530-L643 HydrophobicContact CB-CD2 4.22Å; K530-L643 HydrophobicContact CD-CD2 4.17Å; Y533-L643 WeakPolarHBondContact CD2-O 3.28Å; Y533-L643 HydrophobicContact CE2-CB 4.34Å; Y533-L643 WeakPolarHBondContact CE2-O 3.48Å; N611-L643 HydrophobicContact CB-CD1 4.42Å; A615-L643 HydrophobicContact CB-CB 3.97Å; A615-L643 HydrophobicContact CB-CD1 3.56Å; A615-L643 HydrophobicContact CB-CG 4.38Å; E639-L643 PolarHBondContact O-N 3.14Å; L640-L643 PolarHBondContact O-N 2.78Å; F641-L643 PolarHBondContact O-N 3.19Å
644R98.6Very high96.9Very high87 Ų8722.6 Ų22.633%0.32812%0.122SC..  trans46.754.6178.8-68.8177.7159.4-106.3-5.2114.3H535 F641 A642 A646 L662 F663 D665H535-R644 PolarHBondContact NE2-O 3.35Å; F641-R644 PolarHBondContact O-N 3.34Å; A642-R644 PolarHBondContact O-N 2.95Å; R644-A646 PolarHBondContact O-N 3.19Å; R644-L662 PolarHBondContact NH2-O 3.3Å; R644-F663 HydrophobicContact CG-CB 4.09Å; R644-D665 IonicContact CZ-OD1 2.81Å; R644-D665 IonicContact NH1-OD1 3.92Å; R644-D665 IonicContact NH2-OD1 3.82Å; R644-D665 PolarHBondContact NH2-OD1 3.13Å; R644-D665 VanDerWaalsContact NH2-OD1 3.14Å
645P98.7Very high97.3Very high1 Ų115.5 Ų15.51%0.0069%0.091CC..  trans-69.7-14.717830.9-37.3000113.8Y533 A615 I618 H619 L626 L640Y533-P645 HydrophobicContact CD2-CB 4.21Å; Y533-P645 HydrophobicContact CE2-CB 4.06Å; A615-P645 HydrophobicContact CB-CB 4.37Å; A615-P645 HydrophobicContact CB-CG 4.45Å; A615-P645 WeakPolarHBondContact O-CB 3.39Å; I618-P645 HydrophobicContact CB-CB 3.97Å; I618-P645 HydrophobicContact CB-CG 4.02Å; I618-P645 HydrophobicContact CD1-CG 4.27Å; I618-P645 HydrophobicContact CG2-CB 3.82Å; I618-P645 HydrophobicContact CG2-CG 3.7Å; H619-P645 HydrophobicContact CB-CB 4.33Å; L626-P645 HydrophobicContact CD2-CG 3.98Å; L640-P645 WeakPolarHBondContact O-CD 3.25Å
646A98.8Very high97.6Very high0 Ų014.4 Ų14.40%08%0.076CC..SBendtrans-118.9151.8173.800000111H535 I623 L626 R644H535-A646 PolarHBondContact NE2-O 2.97Å; I623-A646 HydrophobicContact CB-CB 4.26Å; I623-A646 HydrophobicContact CG2-CB 4.05Å; I623-A646 WeakPolarHBondContact O-CB 3.44Å; L626-A646 HydrophobicContact CB-CB 3.66Å; R644-A646 PolarHBondContact O-N 3.19Å
647P98.6Very high97.7Very high7 Ų713.6 Ų13.65%0.0457%0.07CC..SBendtrans-67.9-31.617918-24.6000115H535 I623 H624 W1014 Y1017H535-P647 HydrophobicContact CB-CB 3.75Å; H535-P647 HydrophobicContact CB-CG 4.1Å; I623-P647 VanDerWaalsContact O-CD 3.31Å; I623-P647 WeakPolarHBondContact O-CD 3.25Å; H624-P647 WeakPolarHBondContact O-CD 3.35Å; H624-P647 WeakPolarHBondContact O-CG 3.27Å; P647-W1014 HydrophobicContact CG-CZ3 4.3Å; P647-Y1017 HydrophobicContact CB-CD1 4.35Å; P647-Y1017 HydrophobicContact CB-CD2 4.24Å; P647-Y1017 HydrophobicContact CB-CE1 3.7Å; P647-Y1017 HydrophobicContact CB-CE2 3.54Å; P647-Y1017 VanDerWaalsContact CB-OH 3.32Å; P647-Y1017 WeakPolarHBondContact CB-OH 3.46Å; P647-Y1017 HydrophobicContact CG-CE1 4.15Å
648I98.9Very high97.8Very high3 Ų312.5 Ų12.52%0.0157%0.068CC..EExtended strand (participates in β ladder)trans-121.5125-179.3-57.3170.1000107.6H624 I625 L626 Y666 M1013 W1014 Y1017H624-I648 WeakPolarHBondContact O-CB 3.33Å; H624-I648 PolarHBondContact O-N 3.2Å; H624-I648 VanDerWaalsContact O-N 3.14Å; I625-I648 WeakPolarHBondContact CA-O 3.32Å; I625-I648 HydrophobicContact CD1-CD1 4.4Å; I625-I648 HydrophobicContact CG1-CB 4.06Å; I625-I648 HydrophobicContact CG1-CD1 4.04Å; I625-I648 HydrophobicContact CG1-CG2 4.18Å; I625-I648 HydrophobicContact CG2-CG2 4.32Å; L626-I648 PolarHBondContact N-O 3.35Å; I648-Y666 HydrophobicContact CG2-CD2 3.83Å; I648-Y666 HydrophobicContact CG2-CE2 4.1Å; I648-M1013 HydrophobicContact CD1-CB 4.27Å; I648-M1013 HydrophobicContact CG2-SD 4.44Å; I648-W1014 HydrophobicContact CD1-CE3 4.08Å; I648-Y1017 HydrophobicContact CD1-CG 4.08Å; I648-Y1017 HydrophobicContact CG1-CD2 4.19Å; I648-Y1017 HydrophobicContact CG1-CG 4.09Å
649Q98.9Very high97.8Very high0 Ų012.1 Ų12.10%07%0.066CC..EExtended strand (participates in β ladder)trans-123.9125.1176.8-54.7-166.7139.900111.1L626 F641 F663 M664 D665 Y666L626-Q649 HydrophobicContact CB-CG 4.46Å; L626-Q649 CarbonylContact O-C 3.51Å; L626-Q649 VanDerWaalsContact O-CA 3.3Å; L626-Q649 WeakPolarHBondContact O-CA 3.44Å; F641-Q649 HydrophobicContact CD1-CB 4.24Å; F641-Q649 HydrophobicContact CD1-CG 4.44Å; F641-Q649 PolarHBondContact O-NE2 3.18Å; F641-Q649 PolarHBondContact O-OE1 2.74Å; Q649-F663 PolarHBondContact NE2-O 2.96Å; Q649-M664 HydrophobicContact CB-CE 4.09Å; Q649-M664 HydrophobicContact CB-SD 4.27Å; Q649-D665 PolarHBondContact N-OD2 2.87Å; Q649-D665 WeakPolarHBondContact O-CB 3.48Å; Q649-D665 PolarHBondContact O-N 2.91Å; Q649-Y666 PolarHBondContact O-N 3.3Å; Q649-Y666 VanDerWaalsContact O-N 3.11Å
650A98.9Very high97.8Very high0 Ų011.5 Ų11.50%06%0.064CC..EExtended strand (participates in β ladder)trans-123.6136.2-173.400000112.3L626 V627 N628 M664 Y666 I668L626-A650 PolarHBondContact O-N 3.36Å; V627-A650 CarbonylContact C-O 3.52Å; V627-A650 WeakPolarHBondContact CA-O 3.37Å; N628-A650 PolarHBondContact N-O 3.29Å; A650-M664 WeakPolarHBondContact O-CE 3.05Å; A650-Y666 CarbonylContact C-O 3.4Å; A650-Y666 VanDerWaalsContact CA-O 3.28Å; A650-Y666 WeakPolarHBondContact CA-O 3.36Å; A650-I668 HydrophobicContact CB-CD1 4.45Å; A650-I668 HydrophobicContact CB-CG1 4.41Å
651M98.8Very high97.8Very high4 Ų411.6 Ų11.62%0.027%0.065CC..EExtended strand (participates in β ladder)trans-81.4133.4166.8-70-69.8-65.400109.3N628 Y655 M664 Y666 I667 I668N628-M651 HydrophobicContact CB-SD 3.69Å; M651-Y655 HydrophobicContact CE-CD1 3.9Å; M651-Y655 HydrophobicContact CE-CG 4.4Å; M651-M664 HydrophobicContact CB-CE 4.45Å; M651-M664 HydrophobicContact CG-CB 4.16Å; M651-M664 HydrophobicContact CG-CE 3.65Å; M651-M664 HydrophobicContact CG-CG 3.97Å; M651-M664 HydrophobicContact SD-CE 3.79Å; M651-M664 HydrophobicContact SD-CG 4.09Å; M651-M664 HydrophobicContact SD-SD 4.33Å; M651-Y666 PolarHBondContact N-O 3.3Å; M651-I667 HydrophobicContact CB-CB 4.23Å; M651-I667 HydrophobicContact CB-CG1 4Å; M651-I668 PolarHBondContact O-N 3.02Å
652W98.7Very high97.7Very high4 Ų418.5 Ų18.52%0.01510%0.101CC..  trans-152.2135.2177177.956.5000113Y550 M564 I567 V627 N628 M629 G654 I668 I695 Y1002 L1006Y550-W652 HydrophobicContact CD1-CE3 4.25Å; Y550-W652 HydrophobicContact CD1-CZ3 4.06Å; Y550-W652 AromaticContact CE1-CE3 3.85Å; Y550-W652 HydrophobicContact CE1-CE3 3.85Å; Y550-W652 AromaticContact CE1-CZ3 3.62Å; Y550-W652 HydrophobicContact CE1-CZ3 3.62Å; M564-W652 HydrophobicContact CB-CH2 3.91Å; M564-W652 HydrophobicContact CE-CH2 4.43Å; M564-W652 HydrophobicContact CE-CZ3 4.16Å; M564-W652 HydrophobicContact CG-CH2 4.22Å; M564-W652 HydrophobicContact CG-CZ3 4.38Å; I567-W652 HydrophobicContact CD1-CH2 3.81Å; I567-W652 HydrophobicContact CD1-CZ2 4.09Å; V627-W652 HydrophobicContact CG1-CB 3.63Å; V627-W652 HydrophobicContact CG1-CD2 4.47Å; V627-W652 HydrophobicContact CG1-CE3 3.94Å; V627-W652 HydrophobicContact CG1-CG 4.42Å; N628-W652 PolarHBondContact O-N 3.24Å; M629-W652 HydrophobicContact CE-CZ3 4.17Å; M629-W652 HydrophobicContact CG-CE3 4.15Å; M629-W652 HydrophobicContact SD-CE3 4.36Å; M629-W652 HydrophobicContact SD-CZ3 4.27Å; W652-G654 PolarHBondContact O-N 2.74Å; W652-I668 HydrophobicContact CB-CB 4.17Å; W652-I668 HydrophobicContact CB-CD1 4Å; W652-I668 HydrophobicContact CB-CG1 4.34Å; W652-I668 HydrophobicContact CG-CB 4.17Å; W652-I668 HydrophobicContact CG-CD1 4.06Å; W652-I668 HydrophobicContact CG-CG2 4.45Å; W652-I695 HydrophobicContact CZ2-CG2 4.49Å; W652-Y1002 AromaticContact CZ2-CE1 3.67Å; W652-Y1002 HydrophobicContact CZ2-CE1 3.67Å; W652-Y1002 AromaticContact CZ2-CZ 3.94Å; W652-Y1002 WeakPolarHBondContact CZ2-OH 3.48Å; W652-Y1002 PolarHBondContact NE1-OH 3.09Å; W652-L1006 HydrophobicContact CH2-CD2 4.47Å; W652-L1006 HydrophobicContact CZ2-CD2 4.4Å
653L95.4Very high97.7Very high17 Ų1718.5 Ų18.59%0.08910%0.099CC..SBendtrans63.9-56.9167.8-16965.6000116.9L563 M564 Y655 F693 F694L563-L653 HydrophobicContact CB-CD2 4.3Å; L563-L653 HydrophobicContact CD1-CD1 4.35Å; M564-L653 HydrophobicContact CB-CD2 4.02Å; M564-L653 HydrophobicContact CG-CD2 3.85Å; L653-Y655 VanDerWaalsContact C-N 3.34Å; L653-Y655 PolarHBondContact O-N 3.47Å; L653-F693 HydrophobicContact CD1-CE2 4.49Å; L653-F694 HydrophobicContact CD1-CD2 3.99Å; L653-F694 HydrophobicContact CD1-CE2 3.83Å; L653-F694 HydrophobicContact CD1-CG 4.49Å; L653-F694 HydrophobicContact CD1-CZ 4.21Å
654G91.1Very high97.7Very high16 Ų1617.8 Ų17.817%0.16510%0.095CC..SBendtrans-73.2-18.5-164.900000116.1M629 W652M629-G654 WeakPolarHBondContact O-CA 3.4Å; W652-G654 PolarHBondContact O-N 2.74Å
655Y97.5Very high97.7Very high20 Ų2014.3 Ų14.38%0.0788%0.083CC..SBendtrans-129.3122.9175.5179.8-108.4000111.2P497 H498 N630 Y632 T633 M651 L653 G657 T658P497-Y655 VanDerWaalsContact CB-OH 3.23Å; P497-Y655 WeakPolarHBondContact CB-OH 3.32Å; P497-Y655 PolarHBondContact O-OH 2.99Å; H498-Y655 HydrophobicContact CB-CE2 4.02Å; H498-Y655 PolarHBondContact N-OH 3.26Å; H498-Y655 AromaticContact ND1-CD2 3.97Å; H498-Y655 AromaticContact ND1-CE2 3.75Å; N630-Y655 WeakPolarHBondContact O-CB 3.31Å; Y632-Y655 HydrophobicContact CD2-CD1 4.44Å; Y632-Y655 AromaticContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE1 3.8Å; Y632-Y655 HydrophobicContact CD2-CE2 4.31Å; Y632-Y655 AromaticContact CD2-CZ 3.73Å; T633-Y655 HydrophobicContact CG2-CD2 4.49Å; M651-Y655 HydrophobicContact CE-CD1 3.9Å; M651-Y655 HydrophobicContact CE-CG 4.4Å; L653-Y655 VanDerWaalsContact C-N 3.34Å; L653-Y655 PolarHBondContact O-N 3.47Å; Y655-G657 WeakPolarHBondContact CD1-O 3.46Å; Y655-G657 WeakPolarHBondContact CE1-O 3.32Å; Y655-G657 PolarHBondContact O-N 3.21Å; Y655-T658 WeakPolarHBondContact CE1-O 3.17Å
656P96.6Very high97.7Very high20 Ų2014.4 Ų14.413%0.138%0.083CC..SBendtrans-87.652.8-171.437.1-38.4000112.5M501 H920 L941 A942M501-P656 HydrophobicContact SD-CG 4.22Å; P656-H920 VanDerWaalsContact CB-CE1 3.41Å; P656-H920 WeakPolarHBondContact CB-CE1 3.46Å; P656-L941 HydrophobicContact CB-CD2 3.96Å; P656-A942 HydrophobicContact CB-CB 3.91Å; P656-A942 HydrophobicContact CG-CB 4.25Å
657G96.8Very high97.7Very high11 Ų1114.6 Ų14.611%0.1139%0.085CC..SBendtrans-176175.9178.700000114.2Y655Y655-G657 WeakPolarHBondContact CD1-O 3.46Å; Y655-G657 WeakPolarHBondContact CE1-O 3.32Å; Y655-G657 PolarHBondContact O-N 3.21Å
658T98.5Very high97.8Very high12 Ų1214.4 Ų14.47%0.0748%0.083CC..  trans-61.5139.9172.8-175.60000111.8A514 Y655 G660 Q681 S683 E684A514-T658 HydrophobicContact CB-CG2 4.03Å; Y655-T658 WeakPolarHBondContact CE1-O 3.17Å; T658-G660 PolarHBondContact OG1-N 2.89Å; T658-Q681 WeakPolarHBondContact CG2-O 3.04Å; T658-S683 PolarHBondContact OG1-N 3.05Å; T658-S683 PolarHBondContact OG1-OG 3.43Å; T658-E684 PolarHBondContact OG1-OE2 3.23Å
659S98.1Very high97.7Very high5 Ų514.3 Ų14.34%0.0358%0.082CC..  trans-71.9-23166.371.30000111.5A514 Y632 A661 M664 E684A514-S659 CarbonylContact C-O 3.58Å; A514-S659 WeakPolarHBondContact CB-O 3.35Å; A514-S659 VanDerWaalsContact O-O 3.12Å; Y632-S659 WeakPolarHBondContact CE2-O 3.34Å; Y632-S659 VanDerWaalsContact CZ-O 3.27Å; Y632-S659 PolarHBondContact OH-O 3.2Å; S659-A661 PolarHBondContact O-N 3.34Å; S659-A661 VanDerWaalsContact O-N 3.12Å; S659-A661 PolarHBondContact OG-N 2.92Å; S659-A661 VanDerWaalsContact OG-N 3.11Å; S659-M664 WeakPolarHBondContact OG-CB 3.48Å; S659-M664 VanDerWaalsContact OG-CG 3.32Å; S659-M664 WeakPolarHBondContact OG-CG 3.42Å; S659-E684 WeakPolarHBondContact CA-OE1 3.42Å; S659-E684 WeakPolarHBondContact CB-OE1 3.32Å; S659-E684 PolarHBondContact N-OE1 3.39Å; S659-E684 PolarHBondContact OG-OE1 3.27Å
660G97.9Very high97.7Very high4 Ų414.4 Ų14.44%0.0418%0.083CC..  trans66.42.4-170.800000113.6E515 T658 S683E515-G660 VanDerWaalsContact CA-O 3.25Å; E515-G660 WeakPolarHBondContact CA-O 3.42Å; E515-G660 WeakPolarHBondContact CB-O 3.26Å; T658-G660 PolarHBondContact OG1-N 2.89Å; G660-S683 VanDerWaalsContact C-OG 3.23Å; G660-S683 WeakPolarHBondContact CA-OG 3.48Å; G660-S683 PolarHBondContact N-OG 3.07Å
661A97.5Very high97.6Very high1 Ų120.2 Ų20.21%0.00811%0.11CC..  trans-103131.4-169.500000111.8S659 F663 M664 S683S659-A661 PolarHBondContact O-N 3.34Å; S659-A661 VanDerWaalsContact O-N 3.12Å; S659-A661 PolarHBondContact OG-N 2.92Å; S659-A661 VanDerWaalsContact OG-N 3.11Å; A661-F663 HydrophobicContact CB-CD1 3.84Å; A661-F663 HydrophobicContact CB-CD2 4.08Å; A661-F663 HydrophobicContact CB-CE1 3.47Å; A661-F663 VanDerWaalsContact CB-CE1 3.47Å; A661-F663 HydrophobicContact CB-CE2 3.71Å; A661-F663 HydrophobicContact CB-CG 4.14Å; A661-F663 HydrophobicContact CB-CZ 3.39Å; A661-F663 PolarHBondContact O-N 3.5Å; A661-F663 VanDerWaalsContact O-N 3.11Å; A661-M664 PolarHBondContact O-N 3.25Å; A661-M664 VanDerWaalsContact O-N 3.08Å; A661-S683 PolarHBondContact N-OG 3.42Å
662L97.2Very high97.6Very high148 Ų14823.5 Ų23.578%0.77513%0.125SC*.THydrogen-bonded Turntrans-63.9-17178.4-64.7177.5000113.6R644R644-L662 PolarHBondContact NH2-O 3.3Å
663F98.1Very high97.5Very high9 Ų923.3 Ų23.34%0.03913%0.125CC..THydrogen-bonded Turntrans-81.6-12.6176.957.6-108.3000113.6C521 L522 F641 A642 R644 Q649 A661C521-F663 HydrophobicContact CB-CE1 4.35Å; C521-F663 HydrophobicContact CB-CZ 4.43Å; L522-F663 HydrophobicContact CD2-CD1 4.17Å; F641-F663 HydrophobicContact CB-CD2 3.75Å; F641-F663 HydrophobicContact CB-CE2 3.81Å; A642-F663 HydrophobicContact CB-CD1 3.71Å; A642-F663 HydrophobicContact CB-CE1 3.67Å; A642-F663 HydrophobicContact CB-CG 4.22Å; A642-F663 HydrophobicContact CB-CZ 4.17Å; R644-F663 HydrophobicContact CG-CB 4.09Å; Q649-F663 PolarHBondContact NE2-O 2.96Å; A661-F663 HydrophobicContact CB-CD1 3.84Å; A661-F663 HydrophobicContact CB-CD2 4.08Å; A661-F663 HydrophobicContact CB-CE1 3.47Å; A661-F663 VanDerWaalsContact CB-CE1 3.47Å; A661-F663 HydrophobicContact CB-CE2 3.71Å; A661-F663 HydrophobicContact CB-CG 4.14Å; A661-F663 HydrophobicContact CB-CZ 3.39Å; A661-F663 PolarHBondContact O-N 3.5Å; A661-F663 VanDerWaalsContact O-N 3.11Å
664M98.8Very high97.7Very high5 Ų522.5 Ų22.53%0.02512%0.12CC..  trans-92.7118.2170.7-60.8-50.9-59.600108.9N628 F641 Q649 A650 M651 S659 A661 E684N628-M664 HydrophobicContact CB-CE 3.62Å; N628-M664 HydrophobicContact CB-SD 4.41Å; F641-M664 HydrophobicContact CB-SD 3.82Å; F641-M664 HydrophobicContact CD1-CE 4.06Å; F641-M664 HydrophobicContact CD1-SD 3.82Å; F641-M664 HydrophobicContact CE1-CE 4.42Å; F641-M664 HydrophobicContact CG-SD 3.98Å; Q649-M664 HydrophobicContact CB-CE 4.09Å; Q649-M664 HydrophobicContact CB-SD 4.27Å; A650-M664 WeakPolarHBondContact O-CE 3.05Å; M651-M664 HydrophobicContact CB-CE 4.45Å; M651-M664 HydrophobicContact CG-CB 4.16Å; M651-M664 HydrophobicContact CG-CE 3.65Å; M651-M664 HydrophobicContact CG-CG 3.97Å; M651-M664 HydrophobicContact SD-CE 3.79Å; M651-M664 HydrophobicContact SD-CG 4.09Å; M651-M664 HydrophobicContact SD-SD 4.33Å; S659-M664 WeakPolarHBondContact OG-CB 3.48Å; S659-M664 VanDerWaalsContact OG-CG 3.32Å; S659-M664 WeakPolarHBondContact OG-CG 3.42Å; A661-M664 PolarHBondContact O-N 3.25Å; A661-M664 VanDerWaalsContact O-N 3.08Å; M664-E684 HydrophobicContact CB-CG 3.64Å
665D98.7Very high97.9Very high13 Ų1322.8 Ų22.87%0.0712%0.119CC..  trans-84-40.6-174.6-58.7-55.3000111.2R644 Q649 K685 P1023R644-D665 IonicContact CZ-OD1 2.81Å; R644-D665 IonicContact NH1-OD1 3.92Å; R644-D665 IonicContact NH2-OD1 3.82Å; R644-D665 PolarHBondContact NH2-OD1 3.13Å; R644-D665 VanDerWaalsContact NH2-OD1 3.14Å; Q649-D665 PolarHBondContact N-OD2 2.87Å; Q649-D665 WeakPolarHBondContact O-CB 3.48Å; Q649-D665 PolarHBondContact O-N 2.91Å; D665-K685 WeakPolarHBondContact O-CB 3.41Å; D665-K685 PolarHBondContact O-N 2.84Å; D665-P1023 HydrophobicContact CB-CB 3.97Å; D665-P1023 HydrophobicContact CB-CG 3.53Å
666Y98.9Very high97.9Very high3 Ų324.1 Ų24.11%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-127.9152.2-174.8-71.5-78.9000113.1I648 Q649 A650 M651 E684 K685 A687 M1013 P1023 D1024 M1026I648-Y666 HydrophobicContact CG2-CD2 3.83Å; I648-Y666 HydrophobicContact CG2-CE2 4.1Å; Q649-Y666 PolarHBondContact O-N 3.3Å; Q649-Y666 VanDerWaalsContact O-N 3.11Å; A650-Y666 CarbonylContact C-O 3.4Å; A650-Y666 VanDerWaalsContact CA-O 3.28Å; A650-Y666 WeakPolarHBondContact CA-O 3.36Å; M651-Y666 PolarHBondContact N-O 3.3Å; Y666-E684 VanDerWaalsContact C-CB 3.46Å; Y666-K685 CarbonylContact C-O 3.07Å; Y666-K685 VanDerWaalsContact CA-O 3.26Å; Y666-K685 WeakPolarHBondContact CA-O 3.33Å; Y666-K685 HydrophobicContact CD1-CB 3.7Å; Y666-K685 WeakPolarHBondContact CD1-O 3.43Å; Y666-K685 HydrophobicContact CE1-CB 3.7Å; Y666-A687 HydrophobicContact CD1-CB 4.07Å; Y666-M1013 HydrophobicContact CD1-CE 4.09Å; Y666-M1013 HydrophobicContact CD2-CE 4.31Å; Y666-M1013 HydrophobicContact CD2-CG 4.34Å; Y666-M1013 HydrophobicContact CD2-SD 4.22Å; Y666-M1013 HydrophobicContact CE2-CG 4.23Å; Y666-M1013 HydrophobicContact CG-CE 3.84Å; Y666-M1013 HydrophobicContact CG-SD 4.34Å; Y666-P1023 HydrophobicContact CE2-CB 3.79Å; Y666-P1023 HydrophobicContact CE2-CG 4.26Å; Y666-P1023 WeakPolarHBondContact OH-CA 3.48Å; Y666-D1024 WeakPolarHBondContact CE1-O 3.46Å; Y666-D1024 PolarHBondContact OH-N 3.36Å; Y666-D1024 PolarHBondContact OH-O 3.33Å; Y666-M1026 HydrophobicContact CE1-CG 3.98Å; Y666-M1026 WeakPolarHBondContact OH-CE 3.47Å
667I98.8Very high97.8Very high5 Ų530.6 Ų30.63%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-122.2121.4161-173.4168.9000108.7M651 T669 Y682 E684 K685 L686 A687 L941M651-I667 HydrophobicContact CB-CB 4.23Å; M651-I667 HydrophobicContact CB-CG1 4Å; I667-T669 PolarHBondContact O-N 3.33Å; I667-Y682 HydrophobicContact CD1-CD1 4.03Å; I667-Y682 HydrophobicContact CD1-CE1 4.16Å; I667-Y682 HydrophobicContact CG2-CD1 4.16Å; I667-E684 HydrophobicContact CB-CB 3.96Å; I667-E684 HydrophobicContact CB-CG 4.33Å; I667-E684 HydrophobicContact CG2-CB 3.96Å; I667-K685 PolarHBondContact N-O 3.48Å; I667-L686 HydrophobicContact CG2-CD2 3.78Å; I667-A687 PolarHBondContact O-N 3.08Å; I667-L941 HydrophobicContact CD1-CD1 3.91Å
668I98.8Very high97.8Very high3 Ų331.4 Ų31.42%0.01517%0.166CC..EExtended strand (participates in β ladder)trans-79116.9177.2-57.9-178.7000107.9A650 M651 W652 M689 L1006 L1009 Y1010 M1013A650-I668 HydrophobicContact CB-CD1 4.45Å; A650-I668 HydrophobicContact CB-CG1 4.41Å; M651-I668 PolarHBondContact O-N 3.02Å; W652-I668 HydrophobicContact CB-CB 4.17Å; W652-I668 HydrophobicContact CB-CD1 4Å; W652-I668 HydrophobicContact CB-CG1 4.34Å; W652-I668 HydrophobicContact CG-CB 4.17Å; W652-I668 HydrophobicContact CG-CD1 4.06Å; W652-I668 HydrophobicContact CG-CG2 4.45Å; I668-M689 HydrophobicContact CG2-CG 3.84Å; I668-M689 HydrophobicContact CG2-SD 4.42Å; I668-L1006 HydrophobicContact CD1-CD1 3.82Å; I668-L1006 HydrophobicContact CG2-CD1 4.44Å; I668-L1009 HydrophobicContact CG1-CD2 4.43Å; I668-L1009 HydrophobicContact CG2-CD2 4.06Å; I668-Y1010 HydrophobicContact CD1-CE1 3.85Å; I668-M1013 HydrophobicContact CG1-CE 4.16Å
669T98.6Very high97.7Very high0 Ų032.1 Ų32.10%017%0.173CC..EExtended strand (participates in β ladder)trans-145.9-165.8-174.6-169.60000109.4I667 S674 L686 A687 Y688 M689I667-T669 PolarHBondContact O-N 3.33Å; T669-S674 VanDerWaalsContact OG1-CB 3.23Å; T669-S674 WeakPolarHBondContact OG1-CB 3.4Å; T669-S674 PolarHBondContact OG1-OG 2.93Å; T669-L686 HydrophobicContact CG2-CB 4.31Å; T669-L686 HydrophobicContact CG2-CD2 4.22Å; T669-A687 PolarHBondContact N-O 3.36Å; T669-A687 VanDerWaalsContact O-O 3.08Å; T669-Y688 HydrophobicContact CG2-CD1 3.85Å; T669-Y688 HydrophobicContact CG2-CE1 3.93Å; T669-Y688 CarbonylContact O-C 3.53Å; T669-Y688 WeakPolarHBondContact O-CA 3.44Å; T669-M689 PolarHBondContact O-N 3.29Å
670D98.2Very high97.6Very high2 Ų238 Ų381%0.01120%0.2CC..EExtended strand (participates in β ladder)trans-138.3166.8172.158.466.6000110.4E672 T673 S674 T692 F693 S948D670-E672 PolarHBondContact O-N 3.13Å; D670-E672 WeakPolarHBondContact OD1-CB 3.31Å; D670-E672 PolarHBondContact OD1-N 3.29Å; D670-E672 VanDerWaalsContact OD1-N 3.12Å; D670-T673 VanDerWaalsContact CG-OG1 3.27Å; D670-T673 PolarHBondContact O-N 3.33Å; D670-T673 VanDerWaalsContact OD1-CB 3.31Å; D670-T673 WeakPolarHBondContact OD1-CB 3.45Å; D670-T673 PolarHBondContact OD1-N 2.93Å; D670-T673 PolarHBondContact OD1-OG1 3.36Å; D670-T673 PolarHBondContact OD2-OG1 2.88Å; D670-T673 VanDerWaalsContact OD2-OG1 3.08Å; D670-S674 PolarHBondContact O-N 3.27Å; D670-T692 VanDerWaalsContact OD2-CA 3.24Å; D670-T692 WeakPolarHBondContact OD2-CA 3.38Å; D670-T692 PolarHBondContact OD2-OG1 2.9Å; D670-F693 VanDerWaalsContact OD2-CD1 3.3Å; D670-F693 WeakPolarHBondContact OD2-CD1 3.31Å; D670-F693 PolarHBondContact OD2-N 3.26Å; D670-S948 PolarHBondContact OD1-OG 3.13Å; D670-S948 PolarHBondContact OD2-OG 2.85Å
671Q97.6Very high97.6Very high123 Ų12338.6 Ų38.658%0.57520%0.201SC*.THydrogen-bonded Turntrans-59.4-36.3-178.2-176.8-175.6-800112.3P675 Y688Q671-P675 VanDerWaalsContact O-CA 3.32Å; Q671-P675 WeakPolarHBondContact O-CA 3.49Å; Q671-P675 VanDerWaalsContact O-CB 3.31Å; Q671-P675 WeakPolarHBondContact O-CB 3.07Å; Q671-P675 WeakPolarHBondContact O-CD 3.46Å; Q671-Y688 HydrophobicContact CB-CD2 4.08Å; Q671-Y688 HydrophobicContact CB-CE2 3.9Å; Q671-Y688 HydrophobicContact CG-CE2 4.22Å
672E97Very high97.6Very high72 Ų7239.1 Ų39.134%0.33620%0.203SC..THydrogen-bonded Turntrans-72-39.8-177.8-63.4-59.9149.600111.5D670 R944 T951D670-E672 PolarHBondContact O-N 3.13Å; D670-E672 WeakPolarHBondContact OD1-CB 3.31Å; D670-E672 PolarHBondContact OD1-N 3.29Å; D670-E672 VanDerWaalsContact OD1-N 3.12Å; E672-R944 PolarHBondContact O-NE 3.28Å; E672-R944 PolarHBondContact O-NH2 3.47Å; E672-T951 HydrophobicContact CG-CG2 3.81Å
673T98.1Very high97.6Very high0 Ų034.2 Ų34.20%018%0.181CC..THydrogen-bonded Turntrans-80.4-42.7-176.8-51.60000111.6D670 F693 L941 R944 V945 S948D670-T673 VanDerWaalsContact CG-OG1 3.27Å; D670-T673 PolarHBondContact O-N 3.33Å; D670-T673 VanDerWaalsContact OD1-CB 3.31Å; D670-T673 WeakPolarHBondContact OD1-CB 3.45Å; D670-T673 PolarHBondContact OD1-N 2.93Å; D670-T673 PolarHBondContact OD1-OG1 3.36Å; D670-T673 PolarHBondContact OD2-OG1 2.88Å; D670-T673 VanDerWaalsContact OD2-OG1 3.08Å; T673-F693 HydrophobicContact CG2-CE1 3.92Å; T673-L941 HydrophobicContact CG2-CB 4.33Å; T673-L941 HydrophobicContact CG2-CD2 3.98Å; T673-L941 HydrophobicContact CG2-CG 3.64Å; T673-L941 WeakPolarHBondContact CG2-O 3.32Å; T673-R944 HydrophobicContact CG2-CB 4.12Å; T673-R944 VanDerWaalsContact O-CD 3.23Å; T673-R944 WeakPolarHBondContact O-CD 3.35Å; T673-R944 PolarHBondContact O-NE 3.17Å; T673-V945 HydrophobicContact CG2-CG2 4.36Å; T673-S948 WeakPolarHBondContact OG1-CB 3.31Å; T673-S948 PolarHBondContact OG1-OG 3.39Å
674S98Very high97.7Very high0 Ų034 Ų340%018%0.18CC..SBendtrans-132.367.5-175.5-56.70000110.4T669 D670 Y682 Y688T669-S674 VanDerWaalsContact OG1-CB 3.23Å; T669-S674 WeakPolarHBondContact OG1-CB 3.4Å; T669-S674 PolarHBondContact OG1-OG 2.93Å; D670-S674 PolarHBondContact O-N 3.27Å; S674-Y682 WeakPolarHBondContact CB-OH 3.21Å; S674-Y682 PolarHBondContact OG-OH 3.3Å; S674-Y688 WeakPolarHBondContact O-CE1 3.33Å; S674-Y688 PolarHBondContact O-OH 3.19Å
675P96.8Very high97.7Very high22 Ų2236.9 Ų36.914%0.14319%0.193CC..  trans-61.4156.3178.427.4-34.7000111Q671 E677 V678Q671-P675 VanDerWaalsContact O-CA 3.32Å; Q671-P675 WeakPolarHBondContact O-CA 3.49Å; Q671-P675 VanDerWaalsContact O-CB 3.31Å; Q671-P675 WeakPolarHBondContact O-CB 3.07Å; Q671-P675 WeakPolarHBondContact O-CD 3.46Å; P675-E677 VanDerWaalsContact CB-OE2 3.31Å; P675-E677 WeakPolarHBondContact CB-OE2 3.37Å; P675-E677 PolarHBondContact O-N 3.08Å; P675-E677 VanDerWaalsContact O-N 3.11Å; P675-V678 HydrophobicContact CG-CG2 3.89Å; P675-V678 WeakPolarHBondContact O-CG2 3.42Å; P675-V678 PolarHBondContact O-N 2.86Å
676A95.9Very high97.7Very high48 Ų4836.3 Ų36.340%0.39719%0.189SC..G310 helixtrans-63.3-25.7-170.300000112.5V678 A679 Y688A676-V678 PolarHBondContact O-N 3.48Å; A676-A679 WeakPolarHBondContact O-CB 3.48Å; A676-A679 PolarHBondContact O-N 3.25Å; A676-Y688 PolarHBondContact N-OH 3.01Å
677E95.9Very high97.6Very high157 Ų15736.1 Ų36.173%0.73419%0.189SC*.G310 helixtrans-62-26.1175.9-62.477.2-172.700112.6P675P675-E677 VanDerWaalsContact CB-OE2 3.31Å; P675-E677 WeakPolarHBondContact CB-OE2 3.37Å; P675-E677 PolarHBondContact O-N 3.08Å; P675-E677 VanDerWaalsContact O-N 3.11Å
678V96.1Very high97.6Very high28 Ų2837.3 Ų37.317%0.1719%0.193CC..G310 helixtrans-102.914.1175.9-59.90000112.6P675 A676 E680 Q681 Y682P675-V678 HydrophobicContact CG-CG2 3.89Å; P675-V678 WeakPolarHBondContact O-CG2 3.42Å; P675-V678 PolarHBondContact O-N 2.86Å; A676-V678 PolarHBondContact O-N 3.48Å; V678-E680 PolarHBondContact O-N 2.84Å; V678-E680 VanDerWaalsContact O-N 3.09Å; V678-Q681 HydrophobicContact CB-CG 4.17Å; V678-Q681 WeakPolarHBondContact O-CB 3.33Å; V678-Q681 VanDerWaalsContact O-CG 3.27Å; V678-Q681 WeakPolarHBondContact O-CG 3.41Å; V678-Q681 PolarHBondContact O-N 3.25Å; V678-Q681 VanDerWaalsContact O-N 3.08Å; V678-Y682 HydrophobicContact CG2-CE2 4.18Å; V678-Y682 WeakPolarHBondContact O-CD2 3.3Å; V678-Y682 VanDerWaalsContact O-CE2 3.3Å; V678-Y682 WeakPolarHBondContact O-CE2 3.42Å
679A96.8Very high97.6Very high26 Ų2637.5 Ų37.522%0.21519%0.194CC..G310 helixtrans-57.2-27178.500000112.7A676 Q681 Y682 L686A676-A679 WeakPolarHBondContact O-CB 3.48Å; A676-A679 PolarHBondContact O-N 3.25Å; A679-Q681 PolarHBondContact O-N 2.61Å; A679-Q681 VanDerWaalsContact O-N 3.12Å; A679-Y682 PolarHBondContact O-N 3.23Å; A679-L686 HydrophobicContact CB-CD1 3.98Å
680E96Very high97.5Very high129 Ų12940 Ų4060%0.60321%0.21SC*.G310 helixtrans-59.8-22177.462.7165.7-15800114.3H507 K511 V678 Y682H507-E680 IonicContact CD2-OE1 3.76Å; K511-E680 WeakPolarHBondContact CE-O 2.96Å; K511-E680 PolarHBondContact NZ-O 3.36Å; V678-E680 PolarHBondContact O-N 2.84Å; V678-E680 VanDerWaalsContact O-N 3.09Å; E680-Y682 VanDerWaalsContact C-N 3.26Å; E680-Y682 PolarHBondContact O-N 2.96Å
681Q96.8Very high97.3Very high16 Ų1643.8 Ų43.88%0.07523%0.228CC..G310 helixtrans-73.8-19.2178.2-49.4-171.814.400112.5H507 T658 V678 A679 E939H507-Q681 HydrophobicContact CB-CB 4.38Å; H507-Q681 HydrophobicContact CB-CG 3.74Å; H507-Q681 VanDerWaalsContact CE1-CD 3.43Å; H507-Q681 PolarHBondContact CE1-NE2 2.67Å; H507-Q681 VanDerWaalsContact CG-CG 3.47Å; H507-Q681 PolarHBondContact ND1-NE2 3.01Å; H507-Q681 PolarHBondContact ND1-OE1 3.25Å; H507-Q681 PolarHBondContact NE2-NE2 3.49Å; T658-Q681 WeakPolarHBondContact CG2-O 3.04Å; V678-Q681 HydrophobicContact CB-CG 4.17Å; V678-Q681 WeakPolarHBondContact O-CB 3.33Å; V678-Q681 VanDerWaalsContact O-CG 3.27Å; V678-Q681 WeakPolarHBondContact O-CG 3.41Å; V678-Q681 PolarHBondContact O-N 3.25Å; V678-Q681 VanDerWaalsContact O-N 3.08Å; A679-Q681 PolarHBondContact O-N 2.61Å; A679-Q681 VanDerWaalsContact O-N 3.12Å; Q681-E939 PolarHBondContact NE2-O 3.27Å; Q681-E939 PolarHBondContact OE1-O 3.36Å
682Y98.4Very high97.4Very high13 Ų1338.3 Ų38.35%0.05120%0.203CC..  trans-105146.4-172.9-52.7-88.3000110.7I667 S674 V678 A679 E680 L686 L941I667-Y682 HydrophobicContact CD1-CD1 4.03Å; I667-Y682 HydrophobicContact CD1-CE1 4.16Å; I667-Y682 HydrophobicContact CG2-CD1 4.16Å; S674-Y682 WeakPolarHBondContact CB-OH 3.21Å; S674-Y682 PolarHBondContact OG-OH 3.3Å; V678-Y682 HydrophobicContact CG2-CE2 4.18Å; V678-Y682 WeakPolarHBondContact O-CD2 3.3Å; V678-Y682 VanDerWaalsContact O-CE2 3.3Å; V678-Y682 WeakPolarHBondContact O-CE2 3.42Å; A679-Y682 PolarHBondContact O-N 3.23Å; E680-Y682 VanDerWaalsContact C-N 3.26Å; E680-Y682 PolarHBondContact O-N 2.96Å; Y682-L686 HydrophobicContact CD1-CD2 4.42Å; Y682-L686 HydrophobicContact CD2-CD2 3.76Å; Y682-L686 HydrophobicContact CE2-CD2 4.21Å; Y682-L686 HydrophobicContact CG-CD2 3.87Å; Y682-L941 HydrophobicContact CE1-CB 4.38Å; Y682-L941 HydrophobicContact CE1-CD1 4Å
683S98.1Very high97.4Very high44 Ų4435.2 Ų35.231%0.30819%0.188SC..SBendtrans-89.1-31.2167.450.30000110.9T658 G660 A661T658-S683 PolarHBondContact OG1-N 3.05Å; T658-S683 PolarHBondContact OG1-OG 3.43Å; G660-S683 VanDerWaalsContact C-OG 3.23Å; G660-S683 WeakPolarHBondContact CA-OG 3.48Å; G660-S683 PolarHBondContact N-OG 3.07Å; A661-S683 PolarHBondContact N-OG 3.42Å
684E98.7Very high97.4Very high4 Ų435.4 Ų35.42%0.01919%0.189CC..SBendtrans-79.4161-180-52.487.5165.200112.2T658 S659 M664 Y666 I667T658-E684 PolarHBondContact OG1-OE2 3.23Å; S659-E684 WeakPolarHBondContact CA-OE1 3.42Å; S659-E684 WeakPolarHBondContact CB-OE1 3.32Å; S659-E684 PolarHBondContact N-OE1 3.39Å; S659-E684 PolarHBondContact OG-OE1 3.27Å; M664-E684 HydrophobicContact CB-CG 3.64Å; Y666-E684 VanDerWaalsContact C-CB 3.46Å; I667-E684 HydrophobicContact CB-CB 3.96Å; I667-E684 HydrophobicContact CB-CG 4.33Å; I667-E684 HydrophobicContact CG2-CB 3.96Å
685K98.6Very high97.4Very high67 Ų6735.5 Ų35.529%0.29119%0.189SC..EExtended strand (participates in β ladder)trans-77.1135.3168.6-60.6-61.2-173.5170.40110.6D665 Y666 I667 P1023 D1024D665-K685 WeakPolarHBondContact O-CB 3.41Å; D665-K685 PolarHBondContact O-N 2.84Å; Y666-K685 CarbonylContact C-O 3.07Å; Y666-K685 VanDerWaalsContact CA-O 3.26Å; Y666-K685 WeakPolarHBondContact CA-O 3.33Å; Y666-K685 HydrophobicContact CD1-CB 3.7Å; Y666-K685 WeakPolarHBondContact CD1-O 3.43Å; Y666-K685 HydrophobicContact CE1-CB 3.7Å; I667-K685 PolarHBondContact N-O 3.48Å; K685-P1023 WeakPolarHBondContact CE-O 3.48Å; K685-P1023 HydrophobicContact CG-CB 3.98Å; K685-D1024 IonicContact NZ-OD1 2.77Å
686L98.7Very high97.4Very high0 Ų034.4 Ų34.40%018%0.182CC..EExtended strand (participates in β ladder)trans-71.3131178.8-52.7179.2000109.8I667 T669 A679 Y682 Y688 H1025 M1026 I1027I667-L686 HydrophobicContact CG2-CD2 3.78Å; T669-L686 HydrophobicContact CG2-CB 4.31Å; T669-L686 HydrophobicContact CG2-CD2 4.22Å; A679-L686 HydrophobicContact CB-CD1 3.98Å; Y682-L686 HydrophobicContact CD1-CD2 4.42Å; Y682-L686 HydrophobicContact CD2-CD2 3.76Å; Y682-L686 HydrophobicContact CE2-CD2 4.21Å; Y682-L686 HydrophobicContact CG-CD2 3.87Å; L686-Y688 HydrophobicContact CB-CD1 4.34Å; L686-Y688 HydrophobicContact CB-CE1 3.87Å; L686-Y688 HydrophobicContact CD1-CE1 4.1Å; L686-H1025 PolarHBondContact N-ND1 3.28Å; L686-H1025 VanDerWaalsContact N-ND1 3.16Å; L686-H1025 CarbonylContact O-C 3.46Å; L686-H1025 WeakPolarHBondContact O-CA 3.33Å; L686-M1026 PolarHBondContact O-N 3.48Å; L686-I1027 HydrophobicContact CB-CG2 4.03Å
687A98.6Very high97.5Very high0 Ų032.2 Ų32.20%016%0.164CC..EExtended strand (participates in β ladder)trans-122.5110173.300000109.7Y666 I667 T669 L1009 M1013 M1026Y666-A687 HydrophobicContact CD1-CB 4.07Å; I667-A687 PolarHBondContact O-N 3.08Å; T669-A687 PolarHBondContact N-O 3.36Å; T669-A687 VanDerWaalsContact O-O 3.08Å; A687-L1009 HydrophobicContact CB-CD1 4.1Å; A687-L1009 HydrophobicContact CB-CD2 4Å; A687-L1009 HydrophobicContact CB-CG 4.35Å; A687-M1013 HydrophobicContact CB-CE 3.31Å; A687-M1026 HydrophobicContact CB-CB 4.27Å
688Y98.5Very high97.6Very high30 Ų3024.8 Ų24.812%0.11813%0.129CC..EExtended strand (participates in β ladder)trans-85.9122.1-171.3-71.7-5.8000112.2T669 Q671 S674 A676 L686 M1026 I1027T669-Y688 HydrophobicContact CG2-CD1 3.85Å; T669-Y688 HydrophobicContact CG2-CE1 3.93Å; T669-Y688 CarbonylContact O-C 3.53Å; T669-Y688 WeakPolarHBondContact O-CA 3.44Å; Q671-Y688 HydrophobicContact CB-CD2 4.08Å; Q671-Y688 HydrophobicContact CB-CE2 3.9Å; Q671-Y688 HydrophobicContact CG-CE2 4.22Å; S674-Y688 WeakPolarHBondContact O-CE1 3.33Å; S674-Y688 PolarHBondContact O-OH 3.19Å; A676-Y688 PolarHBondContact N-OH 3.01Å; L686-Y688 HydrophobicContact CB-CD1 4.34Å; L686-Y688 HydrophobicContact CB-CE1 3.87Å; L686-Y688 HydrophobicContact CD1-CE1 4.1Å; Y688-M1026 PolarHBondContact N-O 2.97Å; Y688-I1027 HydrophobicContact CD1-CG2 3.95Å; Y688-I1027 HydrophobicContact CD2-CB 3.74Å; Y688-I1027 HydrophobicContact CD2-CG2 3.75Å; Y688-I1027 HydrophobicContact CE1-CG2 3.74Å; Y688-I1027 HydrophobicContact CE2-CB 3.61Å; Y688-I1027 HydrophobicContact CE2-CG2 3.52Å; Y688-I1027 HydrophobicContact CG-CB 4.34Å; Y688-I1027 HydrophobicContact CG-CG2 3.94Å; Y688-I1027 VanDerWaalsContact CZ-CG2 3.5Å
689M98.1Very high97.7Very high7 Ų724.6 Ų24.63%0.03413%0.131CC..EExtended strand (participates in β ladder)trans-70.1146.4156-69.7-64-71.900109.5I668 T669 H691 T692 F693 Y1002 E1005 L1006 L1009I668-M689 HydrophobicContact CG2-CG 3.84Å; I668-M689 HydrophobicContact CG2-SD 4.42Å; T669-M689 PolarHBondContact O-N 3.29Å; M689-H691 VanDerWaalsContact C-N 3.31Å; M689-H691 PolarHBondContact O-N 3.43Å; M689-T692 WeakPolarHBondContact CB-O 3.21Å; M689-F693 HydrophobicContact CG-CB 4.24Å; M689-Y1002 HydrophobicContact CE-CD1 4.34Å; M689-Y1002 HydrophobicContact CE-CD2 3.89Å; M689-Y1002 HydrophobicContact CE-CE1 4.11Å; M689-Y1002 HydrophobicContact CE-CE2 3.68Å; M689-Y1002 HydrophobicContact CE-CG 4.22Å; M689-E1005 HydrophobicContact CE-CB 3.89Å; M689-L1006 HydrophobicContact CE-CB 4.26Å; M689-L1006 HydrophobicContact SD-CB 4.42Å; M689-L1006 HydrophobicContact SD-CD1 4.08Å; M689-L1009 HydrophobicContact CG-CD2 4.44Å; M689-L1009 HydrophobicContact SD-CD2 3.92Å
690P96.1Very high97.7Very high52 Ų5226.9 Ų26.934%0.33814%0.139SC..SBendtrans-69.1-24.3-170.823.9-33.7000114.7E1005 V1030P690-E1005 HydrophobicContact CG-CB 3.88Å; P690-E1005 HydrophobicContact CG-CG 3.7Å; P690-V1030 HydrophobicContact CB-CG2 4.3Å
691H95Very high97.8Very high82 Ų8221 Ų2138%0.3811%0.112SC..SBendtrans-123-61.3-178.3-54.1100.5000111.6M689 C952 P995M689-H691 VanDerWaalsContact C-N 3.31Å; M689-H691 PolarHBondContact O-N 3.43Å; H691-C952 HydrophobicContact CB-CB 4.28Å; H691-P995 HydrophobicContact CB-CG 4.36Å
692T98.4Very high97.8Very high7 Ų720.2 Ų20.24%0.04311%0.108CC..  trans-150.7147.2176.7-179.70000108.6D670 M689 F694 S948 C952 L996D670-T692 VanDerWaalsContact OD2-CA 3.24Å; D670-T692 WeakPolarHBondContact OD2-CA 3.38Å; D670-T692 PolarHBondContact OD2-OG1 2.9Å; M689-T692 WeakPolarHBondContact CB-O 3.21Å; T692-F694 WeakPolarHBondContact CG2-O 3.18Å; T692-F694 PolarHBondContact OG1-N 2.91Å; T692-F694 VanDerWaalsContact OG1-N 3.14Å; T692-S948 VanDerWaalsContact CB-OG 3.23Å; T692-S948 WeakPolarHBondContact CB-OG 3.42Å; T692-S948 PolarHBondContact OG1-OG 3.33Å; T692-C952 HydrophobicContact CG2-CB 3.61Å; T692-C952 VanDerWaalsContact CG2-SG 3.51Å; T692-L996 HydrophobicContact CG2-CD1 3.98Å
693F98.2Very high97.8Very high8 Ų821.1 Ų21.14%0.03512%0.115CC..SBendtrans-77.1-16.2169.987.6-81.8000112.3L653 D670 T673 M689 L941 V945 Y1002L653-F693 HydrophobicContact CD1-CE2 4.49Å; D670-F693 VanDerWaalsContact OD2-CD1 3.3Å; D670-F693 WeakPolarHBondContact OD2-CD1 3.31Å; D670-F693 PolarHBondContact OD2-N 3.26Å; T673-F693 HydrophobicContact CG2-CE1 3.92Å; M689-F693 HydrophobicContact CG-CB 4.24Å; F693-L941 HydrophobicContact CE1-CD2 4.35Å; F693-L941 HydrophobicContact CZ-CD2 4.02Å; F693-V945 HydrophobicContact CE1-CG2 4.18Å; F693-V945 HydrophobicContact CZ-CG2 4.16Å; F693-Y1002 WeakPolarHBondContact O-CE2 3.28Å; F693-Y1002 PolarHBondContact O-OH 3.08Å
694F98Very high97.8Very high4 Ų419.2 Ų19.22%0.01810%0.102CC..  trans-81.7145.8-177.3-140.4-92.3000111.4L563 L653 T692 H920 M924 V945 Q949L563-F694 HydrophobicContact CD1-CE1 3.71Å; L563-F694 HydrophobicContact CD1-CZ 3.58Å; L563-F694 HydrophobicContact CD2-CE1 4.03Å; L563-F694 HydrophobicContact CG-CE1 4.5Å; L653-F694 HydrophobicContact CD1-CD2 3.99Å; L653-F694 HydrophobicContact CD1-CE2 3.83Å; L653-F694 HydrophobicContact CD1-CG 4.49Å; L653-F694 HydrophobicContact CD1-CZ 4.21Å; T692-F694 WeakPolarHBondContact CG2-O 3.18Å; T692-F694 PolarHBondContact OG1-N 2.91Å; T692-F694 VanDerWaalsContact OG1-N 3.14Å; F694-H920 HydrophobicContact CE1-CB 4.48Å; F694-H920 WeakPolarHBondContact CE1-O 3.45Å; F694-H920 HydrophobicContact CE2-CB 3.7Å; F694-H920 HydrophobicContact CZ-CB 3.54Å; F694-M924 HydrophobicContact CD1-CG 3.42Å; F694-M924 VanDerWaalsContact CD1-CG 3.42Å; F694-M924 HydrophobicContact CD1-SD 3.76Å; F694-M924 HydrophobicContact CE1-CG 3.47Å; F694-M924 VanDerWaalsContact CE1-CG 3.47Å; F694-M924 HydrophobicContact CE1-SD 4.41Å; F694-V945 HydrophobicContact CB-CG1 4.47Å; F694-V945 HydrophobicContact CD2-CG1 3.58Å; F694-V945 HydrophobicContact CE2-CG1 4.02Å; F694-V945 HydrophobicContact CG-CG1 4.03Å; F694-Q949 HydrophobicContact CB-CG 4.3Å
695I98.1Very high97.8Very high1 Ų119 Ų191%0.00510%0.101CC..  trans-143.6160.7178.2-166.254.7000109.3L563 M564 I567 W652 L996 T999 Y1002L563-I695 WeakPolarHBondContact CB-O 3.14Å; L563-I695 WeakPolarHBondContact CD2-O 3.44Å; M564-I695 HydrophobicContact CB-CG2 4.45Å; I567-I695 HydrophobicContact CD1-CG1 4.35Å; I567-I695 HydrophobicContact CD1-CG2 3.84Å; W652-I695 HydrophobicContact CZ2-CG2 4.49Å; I695-L996 WeakPolarHBondContact CD1-O 3.46Å; I695-T999 HydrophobicContact CD1-CG2 4.06Å; I695-T999 HydrophobicContact CG1-CG2 3.84Å; I695-Y1002 HydrophobicContact CB-CD1 4.32Å; I695-Y1002 HydrophobicContact CB-CD2 3.82Å; I695-Y1002 HydrophobicContact CB-CE1 4.32Å; I695-Y1002 HydrophobicContact CB-CE2 3.77Å; I695-Y1002 HydrophobicContact CB-CG 4.1Å; I695-Y1002 HydrophobicContact CD1-CD2 3.77Å; I695-Y1002 HydrophobicContact CD1-CG 3.81Å; I695-Y1002 HydrophobicContact CG1-CD1 4.16Å; I695-Y1002 HydrophobicContact CG1-CD2 3.92Å; I695-Y1002 HydrophobicContact CG1-CE2 4.38Å; I695-Y1002 HydrophobicContact CG1-CG 3.8Å; I695-Y1002 HydrophobicContact CG2-CE1 4.24Å; I695-Y1002 HydrophobicContact CG2-CE2 4.4Å
696G96.2Very high97.6Very high0 Ų020.1 Ų20.10%011%0.106CC..  trans-147.3139.6174.600000111.8L563 H698L563-G696 CarbonylContact O-C 3.5Å; L563-G696 WeakPolarHBondContact O-CA 3.38Å; G696-H698 PolarHBondContact O-N 3.45Å
697D97.7Very high97.4Very high1 Ų127.1 Ų27.11%0.00514%0.136CC..THydrogen-bonded Turntrans-85.713.8-178.5-160.549.1000112.7H562 L563 Q565 S566 A699 N700 M701H562-D697 VanDerWaalsContact O-CB 3.32Å; H562-D697 WeakPolarHBondContact O-CB 3.43Å; H562-D697 PolarHBondContact O-N 2.87Å; L563-D697 PolarHBondContact O-N 3.39Å; L563-D697 VanDerWaalsContact O-N 3.13Å; Q565-D697 HydrophobicContact CG-CB 4.24Å; Q565-D697 WeakPolarHBondContact CG-OD2 3.47Å; Q565-D697 PolarHBondContact NE2-OD2 3.23Å; Q565-D697 VanDerWaalsContact NE2-OD2 3.1Å; S566-D697 WeakPolarHBondContact CB-OD1 3.37Å; S566-D697 PolarHBondContact OG-OD1 3.31Å; S566-D697 PolarHBondContact OG-OD2 3.4Å; S566-D697 VanDerWaalsContact OG-OD2 3.13Å; D697-A699 PolarHBondContact O-N 3.46Å; D697-A699 VanDerWaalsContact O-N 3.09Å; D697-N700 WeakPolarHBondContact O-CA 3.4Å; D697-N700 PolarHBondContact O-N 3.36Å; D697-N700 WeakPolarHBondContact OD1-CB 3.28Å; D697-N700 PolarHBondContact OD2-ND2 2.99Å; D697-M701 HydrophobicContact CB-CG 4.24Å; D697-M701 HydrophobicContact CB-SD 4.21Å; D697-M701 PolarHBondContact O-N 3.48Å
698H98.4Very high97.3Very high2 Ų227.8 Ų27.81%0.00914%0.139CC..Hα-helixtrans-57-30.2-175.8-56.665.7000113.4G696 N700 F702 M924 D925 W928 F997G696-H698 PolarHBondContact O-N 3.45Å; H698-N700 PolarHBondContact O-N 3.29Å; H698-F702 HydrophobicContact CB-CD2 4.26Å; H698-F702 AromaticContact CD2-CD2 3.95Å; H698-F702 CarbonylContact O-C 3.56Å; H698-F702 WeakPolarHBondContact O-CA 3.19Å; H698-F702 PolarHBondContact O-N 2.96Å; H698-M924 VanDerWaalsContact CE1-CB 3.49Å; H698-M924 WeakPolarHBondContact CE1-CB 3.28Å; H698-D925 IonicContact CD2-OD1 2.84Å; H698-D925 IonicContact CE1-OD1 3.82Å; H698-D925 IonicContact NE2-OD1 3.74Å; H698-D925 PolarHBondContact NE2-OD1 2.97Å; H698-W928 HydrophobicContact CB-CB 3.91Å; H698-W928 HydrophobicContact CB-CD2 3.45Å; H698-W928 VanDerWaalsContact CB-CD2 3.45Å; H698-W928 HydrophobicContact CB-CE3 3.96Å; H698-W928 HydrophobicContact CB-CG 3.4Å; H698-W928 VanDerWaalsContact CB-CG 3.4Å; H698-W928 AromaticContact CD2-CG 3.99Å; H698-W928 AromaticContact CG-CG 3.98Å; H698-W928 WeakPolarHBondContact O-CZ2 3.48Å; H698-F997 HydrophobicContact CB-CD1 3.96Å; H698-F997 HydrophobicContact CB-CE1 3.9Å; H698-F997 AromaticContact CG-CE1 3.74Å; H698-F997 AromaticContact ND1-CD1 4Å; H698-F997 AromaticContact ND1-CE1 3.55Å
699A97.6Very high97.2Very high24 Ų2426.3 Ų26.320%0.19813%0.133CC..Hα-helixtrans-64.1-26.4175.900000113.8D697 K706 W928 F997D697-A699 PolarHBondContact O-N 3.46Å; D697-A699 VanDerWaalsContact O-N 3.09Å; A699-K706 PolarHBondContact O-NZ 3.49Å; A699-W928 HydrophobicContact CB-CH2 3.64Å; A699-W928 HydrophobicContact CB-CZ2 4.31Å; A699-W928 HydrophobicContact CB-CZ3 4.09Å; A699-F997 HydrophobicContact CB-CB 4.39Å
700N97.3Very high97.1Very high73 Ų7326 Ų2639%0.3913%0.132SC..Hα-helixtrans-97.2-44175.4172.762.7000111.9D697 H698 P703D697-N700 WeakPolarHBondContact O-CA 3.4Å; D697-N700 PolarHBondContact O-N 3.36Å; D697-N700 WeakPolarHBondContact OD1-CB 3.28Å; D697-N700 PolarHBondContact OD2-ND2 2.99Å; H698-N700 PolarHBondContact O-N 3.29Å; N700-P703 VanDerWaalsContact O-CD 3.22Å; N700-P703 WeakPolarHBondContact O-CD 3.31Å
701M97.7Very high97Very high5 Ų523.9 Ų23.93%0.02512%0.117CC..Hα-helixtrans-71.7-41.2-178.4-66179.869.500113.2H562 Q565 F591 D697 P703H562-M701 HydrophobicContact CB-CE 4.09Å; H562-M701 HydrophobicContact CB-SD 3.93Å; H562-M701 VanDerWaalsContact O-SD 3.33Å; Q565-M701 PolarHBondContact NE2-SD 3.4Å; Q565-M701 VanDerWaalsContact NE2-SD 3.38Å; F591-M701 HydrophobicContact CE1-CE 3.63Å; F591-M701 HydrophobicContact CZ-CE 3.63Å; D697-M701 HydrophobicContact CB-CG 4.24Å; D697-M701 HydrophobicContact CB-SD 4.21Å; D697-M701 PolarHBondContact O-N 3.48Å; M701-P703 WeakPolarHBondContact O-CD 3.32Å
702F98.4Very high96.8Very high0 Ų020.9 Ų20.90%010%0.104CC..  trans-127.249.3-172.4-47-56.3000113.5H698 H704 L705 K898 E899 V902 W928H698-F702 HydrophobicContact CB-CD2 4.26Å; H698-F702 AromaticContact CD2-CD2 3.95Å; H698-F702 CarbonylContact O-C 3.56Å; H698-F702 WeakPolarHBondContact O-CA 3.19Å; H698-F702 PolarHBondContact O-N 2.96Å; F702-H704 WeakPolarHBondContact CA-ND1 3.42Å; F702-H704 AromaticContact CD1-CE1 3.98Å; F702-H704 PolarHBondContact O-N 3.35Å; F702-L705 HydrophobicContact CB-CD1 3.9Å; F702-L705 HydrophobicContact CB-CG 4.13Å; F702-L705 WeakPolarHBondContact O-CB 3.27Å; F702-L705 PolarHBondContact O-N 3.27Å; F702-L705 VanDerWaalsContact O-N 3.14Å; F702-K898 HydrophobicContact CE2-CG 4.22Å; F702-K898 HydrophobicContact CZ-CB 4.38Å; F702-K898 HydrophobicContact CZ-CG 3.7Å; F702-E899 HydrophobicContact CD1-CB 4.2Å; F702-E899 HydrophobicContact CD1-CG 3.97Å; F702-E899 HydrophobicContact CE1-CB 3.75Å; F702-E899 HydrophobicContact CE1-CG 4.05Å; F702-V902 HydrophobicContact CD2-CB 4.44Å; F702-V902 HydrophobicContact CD2-CG1 4.3Å; F702-V902 HydrophobicContact CD2-CG2 4.18Å; F702-V902 HydrophobicContact CE2-CG2 3.87Å; F702-W928 PolarHBondContact O-NE1 3.1Å; F702-W928 VanDerWaalsContact O-NE1 3.08Å
703P97.9Very high96Very high32 Ų3223.3 Ų23.321%0.20811%0.114CC..G310 helixtrans-68.1-22.3-178.429.3-35.6000112.7N700 M701 L705 K706 V813N700-P703 VanDerWaalsContact O-CD 3.22Å; N700-P703 WeakPolarHBondContact O-CD 3.31Å; M701-P703 WeakPolarHBondContact O-CD 3.32Å; P703-L705 PolarHBondContact O-N 2.97Å; P703-K706 HydrophobicContact CB-CD 4.29Å; P703-K706 VanDerWaalsContact O-CB 3.27Å; P703-K706 WeakPolarHBondContact O-CB 3.48Å; P703-K706 VanDerWaalsContact O-CG 3.26Å; P703-K706 WeakPolarHBondContact O-CG 3.45Å; P703-K706 PolarHBondContact O-N 2.85Å; P703-V813 HydrophobicContact CG-CG1 3.94Å; P703-V813 HydrophobicContact CG-CG2 3.71Å
704H97.9Very high94.8Very high4 Ų426.4 Ų26.42%0.01913%0.127CC..G310 helixtrans-62.9-16.9173.765.7-58.1000112.8F702 I729 V813 E899F702-H704 WeakPolarHBondContact CA-ND1 3.42Å; F702-H704 AromaticContact CD1-CE1 3.98Å; F702-H704 PolarHBondContact O-N 3.35Å; H704-I729 HydrophobicContact CB-CD1 4.11Å; H704-I729 HydrophobicContact CB-CG1 4.15Å; H704-V813 HydrophobicContact CB-CG1 4.05Å; H704-E899 IonicContact CD2-OE1 3.75Å; H704-E899 IonicContact CE1-OE1 3.16Å; H704-E899 IonicContact NE2-OE1 2.62Å; H704-E899 PolarHBondContact NE2-OE1 3.4Å
705L98Very high93.2Very high0 Ų029.6 Ų29.60%015%0.151CC..G310 helixtrans-89.90.3174.4-51.3-175.9000113.6F702 P703 K707 N727 V902 R903 W988 R991F702-L705 HydrophobicContact CB-CD1 3.9Å; F702-L705 HydrophobicContact CB-CG 4.13Å; F702-L705 WeakPolarHBondContact O-CB 3.27Å; F702-L705 PolarHBondContact O-N 3.27Å; F702-L705 VanDerWaalsContact O-N 3.14Å; P703-L705 PolarHBondContact O-N 2.97Å; L705-K707 PolarHBondContact O-N 2.96Å; L705-N727 HydrophobicContact CD2-CB 3.69Å; L705-V902 HydrophobicContact CD1-CB 4.45Å; L705-V902 HydrophobicContact CD1-CG1 3.8Å; L705-R903 HydrophobicContact CD1-CB 4.22Å; L705-R903 HydrophobicContact CD2-CB 4.17Å; L705-R903 HydrophobicContact CD2-CG 4.12Å; L705-W988 WeakPolarHBondContact O-CH2 3.48Å; L705-R991 PolarHBondContact O-NH1 3.44Å; L705-R991 PolarHBondContact O-NH2 2.88Å
706K95.5Very high91.3Very high90 Ų9036.4 Ų36.439%0.39119%0.187SC..SBendtrans-63.4-29.7176.4-73.1177.4-177177.60112.3A699 P703 W928 W988 R991 I992A699-K706 PolarHBondContact O-NZ 3.49Å; P703-K706 HydrophobicContact CB-CD 4.29Å; P703-K706 VanDerWaalsContact O-CB 3.27Å; P703-K706 WeakPolarHBondContact O-CB 3.48Å; P703-K706 VanDerWaalsContact O-CG 3.26Å; P703-K706 WeakPolarHBondContact O-CG 3.45Å; P703-K706 PolarHBondContact O-N 2.85Å; K706-W928 HydrophobicContact CG-CH2 4.14Å; K706-W928 HydrophobicContact CG-CZ2 3.87Å; K706-W988 WeakPolarHBondContact O-CZ2 3.49Å; K706-R991 PolarHBondContact O-NH2 3.29Å; K706-I992 HydrophobicContact CG-CD1 4.18Å
707K93.5Very high89.8Confident148 Ų14839.8 Ų39.864%0.64322%0.222SC*.SBendtrans-126.4151174.8-65.7-178.2-178.1176.60109.3L705 N727L705-K707 PolarHBondContact O-N 2.96Å; K707-N727 PolarHBondContact O-ND2 3.48Å
708K96.1Very high88.6Confident13 Ų1345.1 Ų45.16%0.05725%0.247CC..  trans-138.5152174.272.1-178.4178.8-176.70109.8D721 V725 L726 N727 P765 W988K708-D721 WeakPolarHBondContact CE-O 3.47Å; K708-D721 PolarHBondContact NZ-O 3.31Å; K708-D721 IonicContact NZ-OD2 3.61Å; K708-D721 PolarHBondContact NZ-OD2 3.23Å; K708-V725 HydrophobicContact CB-CG1 3.84Å; K708-V725 HydrophobicContact CD-CG1 4.06Å; K708-V725 HydrophobicContact CG-CG1 4.43Å; K708-L726 CarbonylContact C-O 3.41Å; K708-L726 VanDerWaalsContact CA-O 3.31Å; K708-L726 WeakPolarHBondContact CA-O 3.26Å; K708-N727 WeakPolarHBondContact CB-ND2 3.32Å; K708-P765 WeakPolarHBondContact O-CD 3.48Å; K708-W988 HydrophobicContact CB-CH2 3.93Å; K708-W988 HydrophobicContact CB-CZ2 4.28Å; K708-W988 HydrophobicContact CD-CH2 3.64Å; K708-W988 HydrophobicContact CD-CZ2 4.19Å; K708-W988 HydrophobicContact CD-CZ3 3.83Å; K708-W988 HydrophobicContact CG-CH2 3.72Å; K708-W988 HydrophobicContact CG-CZ2 3.89Å; K708-W988 HydrophobicContact CG-CZ3 4.41Å
709A96.7Very high88Confident0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-118.7162.916500000109.2V725 L726 L731 L735 P765A709-V725 WeakPolarHBondContact O-CA 3Å; A709-L726 HydrophobicContact CB-CB 4.39Å; A709-L726 PolarHBondContact N-O 3.49Å; A709-L726 PolarHBondContact O-N 2.9Å; A709-L731 HydrophobicContact CB-CD1 4.05Å; A709-L731 HydrophobicContact CB-CD2 4.23Å; A709-L731 HydrophobicContact CB-CG 4.49Å; A709-L735 HydrophobicContact CB-CD1 4.16Å; A709-L735 HydrophobicContact CB-CD2 3.9Å; A709-P765 WeakPolarHBondContact CA-O 3.34Å; A709-P765 HydrophobicContact CB-CB 4.02Å
710V96Very high87.6Confident0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-131.3156.5177.8-61.70000111.7I719 I724 M764 P765 V766 I767V710-I719 HydrophobicContact CG2-CG2 4.35Å; V710-I724 WeakPolarHBondContact CA-O 3.48Å; V710-I724 WeakPolarHBondContact CB-O 3.32Å; V710-M764 HydrophobicContact CG1-SD 4.27Å; V710-M764 HydrophobicContact CG2-CE 3.93Å; V710-M764 HydrophobicContact CG2-CG 4.3Å; V710-M764 HydrophobicContact CG2-SD 4.11Å; V710-P765 PolarHBondContact N-O 3.4Å; V710-V766 HydrophobicContact CG2-CB 4.32Å; V710-V766 HydrophobicContact CG2-CG1 4.27Å; V710-V766 HydrophobicContact CG2-CG2 3.83Å; V710-V766 CarbonylContact O-C 3.58Å; V710-V766 WeakPolarHBondContact O-CA 3.25Å; V710-I767 PolarHBondContact O-N 3.37Å
711I94.8Very high87.4Confident8 Ų847.3 Ų47.34%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-101.3125.9170-71.6167.8000109.2F713 I724 L726 I767 M769 A773 V776 I777I711-F713 HydrophobicContact CG2-CB 4.49Å; I711-F713 PolarHBondContact O-N 2.89Å; I711-F713 VanDerWaalsContact O-N 3.17Å; I711-I724 HydrophobicContact CB-CB 4.15Å; I711-I724 HydrophobicContact CB-CD1 4.39Å; I711-I724 HydrophobicContact CB-CG2 3.84Å; I711-I724 HydrophobicContact CD1-CG2 3.87Å; I711-I724 HydrophobicContact CG1-CG2 4.15Å; I711-I724 HydrophobicContact CG2-CD1 4.36Å; I711-I724 PolarHBondContact N-O 2.94Å; I711-L726 HydrophobicContact CD1-CD1 3.97Å; I711-L726 HydrophobicContact CG1-CD1 3.85Å; I711-I767 WeakPolarHBondContact CA-O 3.26Å; I711-I767 HydrophobicContact CG1-CB 4.04Å; I711-I767 HydrophobicContact CG1-CD1 4.4Å; I711-I767 HydrophobicContact CG1-CG2 4.39Å; I711-M769 HydrophobicContact CG2-SD 4.31Å; I711-A773 HydrophobicContact CD1-CB 4.16Å; I711-A773 HydrophobicContact CG1-CB 4.27Å; I711-A773 HydrophobicContact CG2-CB 3.75Å; I711-V776 HydrophobicContact CD1-CB 4.15Å; I711-V776 HydrophobicContact CD1-CG1 3.82Å; I711-I777 HydrophobicContact CG2-CD1 4.18Å
712D90.6Very high87.3Confident18 Ų1847 Ų4710%0.09625%0.249CC..  trans-82.284.1173-179.811.4000110.8S715 V766 I767D712-S715 PolarHBondContact OD1-N 3.02Å; D712-S715 VanDerWaalsContact OD1-N 3.14Å; D712-V766 HydrophobicContact CB-CG1 3.75Å; D712-I767 PolarHBondContact N-O 3.32Å
713F81.8Confident87.1Confident59 Ų5947.7 Ų47.726%0.25925%0.251SS..  trans-78.3-27.4-173.183.4-86.9000114.7I711 R723 I724 M769 I777 E829I711-F713 HydrophobicContact CG2-CB 4.49Å; I711-F713 PolarHBondContact O-N 2.89Å; I711-F713 VanDerWaalsContact O-N 3.17Å; F713-R723 HydrophobicContact CE1-CB 4.22Å; F713-R723 HydrophobicContact CE1-CG 4.31Å; F713-I724 HydrophobicContact CB-CD1 3.98Å; F713-I724 HydrophobicContact CD1-CD1 4.27Å; F713-I724 HydrophobicContact CG-CD1 4.32Å; F713-M769 HydrophobicContact CB-SD 4.44Å; F713-I777 HydrophobicContact CB-CD1 4.28Å; F713-E829 HydrophobicContact CE1-CB 4.36Å; F713-E829 HydrophobicContact CZ-CB 3.78Å; F713-E829 HydrophobicContact CZ-CG 4.11Å
714K73.2Confident87.1Confident72 Ų7246.7 Ų46.731%0.31324%0.244SC..SBendtrans-87.1-21.8-179.3-72.3-162.8-178179.60112.6N716K714-N716 HydrophobicContact CB-CB 4.5Å; K714-N716 PolarHBondContact O-N 3.04Å; K714-N716 PolarHBondContact O-ND2 3.29Å; K714-N716 PolarHBondContact O-OD1 3.41Å
715S63.1Low87.1Confident72 Ų7246.5 Ų46.550%0.50324%0.243SC..  trans51.414.2-179.8-57.30000115.3D712D712-S715 PolarHBondContact OD1-N 3.02Å; D712-S715 VanDerWaalsContact OD1-N 3.14Å
716N58.8Low87.1Confident143 Ų14346.5 Ų46.577%0.76524%0.243SC*.SBendtrans-102.424.5-169.8-68.9-17000112.6K714K714-N716 HydrophobicContact CB-CB 4.5Å; K714-N716 PolarHBondContact O-N 3.04Å; K714-N716 PolarHBondContact O-ND2 3.29Å; K714-N716 PolarHBondContact O-OD1 3.41Å
717G64.5Low87.2Confident71 Ų7142.2 Ų42.273%0.73222%0.224SC*.SBendtrans90.9-5.5174.100000116.5
718H73.7Confident87.4Confident114 Ų11435.5 Ų35.553%0.52820%0.197SC..  trans-112.3107.8173.3-109.5105.6000111.1Y720H718-Y720 HydrophobicContact CB-CE2 4.46Å
719I84.1Confident87.3Confident56 Ų5639.3 Ų39.329%0.28722%0.217SC..  trans-87115.4175.2-61172.7000108.6V710 V744 M764 V766V710-I719 HydrophobicContact CG2-CG2 4.35Å; I719-V744 HydrophobicContact CD1-CG2 3.7Å; I719-M764 HydrophobicContact CG2-CE 3.58Å; I719-V766 HydrophobicContact CD1-CG1 4.31Å; I719-V766 HydrophobicContact CD1-CG2 4.34Å; I719-V766 HydrophobicContact CG2-CG1 4.06Å; I719-V766 HydrophobicContact CG2-CG2 3.71Å
720Y90.4Very high87.2Confident65 Ų6543.2 Ų43.226%0.25524%0.238SC..  trans-88.5147.6174.8-58.9-80.4000111.7H718 R723H718-Y720 HydrophobicContact CB-CE2 4.46Å; Y720-R723 HydrophobicContact CD2-CG 4.28Å; Y720-R723 HydrophobicContact CG-CG 4.02Å
721D92.2Very high87.2Confident23 Ų2343.6 Ų43.612%0.12324%0.24CC..SBendtrans-99.3-0.4-174.880.4-49000114.5K708 M764 R984K708-D721 WeakPolarHBondContact CE-O 3.47Å; K708-D721 PolarHBondContact NZ-O 3.31Å; K708-D721 IonicContact NZ-OD2 3.61Å; K708-D721 PolarHBondContact NZ-OD2 3.23Å; D721-M764 HydrophobicContact CB-CE 4.24Å; D721-M764 HydrophobicContact CB-SD 3.49Å; D721-M764 WeakPolarHBondContact CB-SD 3.33Å; D721-R984 IonicContact OD1-CZ 2.84Å; D721-R984 IonicContact OD1-NE 3.16Å; D721-R984 PolarHBondContact OD1-NE 3.1Å; D721-R984 IonicContact OD1-NH2 3.43Å; D721-R984 IonicContact OD2-CZ 3.9Å; D721-R984 VanDerWaalsContact OD2-CZ 3.24Å; D721-R984 IonicContact OD2-NE 2.93Å; D721-R984 PolarHBondContact OD2-NE 3.44Å; D721-R984 IonicContact OD2-NH2 3.64Å; D721-R984 PolarHBondContact OD2-NH2 3.31Å
722N96Very high87.2Confident0 Ų049.9 Ų49.90%027%0.267CS..SBendtrans-152.116.8-167.162.4-7.6000115.3R822 Q906 L907 A908 D909N722-R822 PolarHBondContact ND2-NH2 3.03Å; N722-Q906 WeakPolarHBondContact CB-O 3.28Å; N722-L907 PolarHBondContact ND2-O 3.5Å; N722-L907 WeakPolarHBondContact O-CA 3.41Å; N722-L907 WeakPolarHBondContact O-CD2 3.25Å; N722-A908 PolarHBondContact ND2-O 2.95Å; N722-D909 PolarHBondContact ND2-OD1 3.33Å
723R95Very high87.5Confident14 Ų1451.2 Ų51.25%0.05328%0.28CS..SBendtrans-88.1-53.3178.1-84.641.6174.4-1749.9111.4F713 Y720 T821 R822 E829 A831 D909F713-R723 HydrophobicContact CE1-CB 4.22Å; F713-R723 HydrophobicContact CE1-CG 4.31Å; Y720-R723 HydrophobicContact CD2-CG 4.28Å; Y720-R723 HydrophobicContact CG-CG 4.02Å; R723-T821 CarbonylContact O-C 3.44Å; R723-T821 VanDerWaalsContact O-CA 3.27Å; R723-T821 WeakPolarHBondContact O-CA 3.2Å; R723-R822 VanDerWaalsContact CZ-CZ 3.45Å; R723-R822 VanDerWaalsContact CZ-NH1 3.26Å; R723-R822 PolarHBondContact O-N 3.46Å; R723-E829 WeakPolarHBondContact CB-OE2 3.2Å; R723-E829 VanDerWaalsContact CG-OE2 3.24Å; R723-E829 WeakPolarHBondContact CG-OE2 3.48Å; R723-E829 PolarHBondContact NE-O 3.27Å; R723-E829 PolarHBondContact NH2-O 3.45Å; R723-A831 PolarHBondContact NH2-O 2.94Å; R723-D909 IonicContact NH1-OD1 3.86Å; R723-D909 PolarHBondContact NH1-OD1 3.36Å; R723-D909 IonicContact NH1-OD2 3.02Å
724I96.5Very high88.2Confident11 Ų1148.4 Ų48.46%0.05627%0.268CS..EExtended strand (participates in β ladder)trans-127.7111.3173.3-59.1174.8000106.9V710 I711 F713 L726 I777 V819 T821V710-I724 WeakPolarHBondContact CA-O 3.48Å; V710-I724 WeakPolarHBondContact CB-O 3.32Å; I711-I724 HydrophobicContact CB-CB 4.15Å; I711-I724 HydrophobicContact CB-CD1 4.39Å; I711-I724 HydrophobicContact CB-CG2 3.84Å; I711-I724 HydrophobicContact CD1-CG2 3.87Å; I711-I724 HydrophobicContact CG1-CG2 4.15Å; I711-I724 HydrophobicContact CG2-CD1 4.36Å; I711-I724 PolarHBondContact N-O 2.94Å; F713-I724 HydrophobicContact CB-CD1 3.98Å; F713-I724 HydrophobicContact CD1-CD1 4.27Å; F713-I724 HydrophobicContact CG-CD1 4.32Å; I724-L726 HydrophobicContact CG2-CD1 4.46Å; I724-I777 HydrophobicContact CD1-CD1 3.93Å; I724-I777 HydrophobicContact CD1-CG1 4.03Å; I724-V819 HydrophobicContact CG2-CG1 4.25Å; I724-T821 HydrophobicContact CB-CG2 4.3Å; I724-T821 HydrophobicContact CG1-CG2 3.96Å; I724-T821 HydrophobicContact CG2-CG2 3.98Å
725V98Very high89.3Confident0 Ų045.7 Ų45.70%026%0.257CS..EExtended strand (participates in β ladder)trans-117.4134.8-172.8-174.70000109.7K708 A709 V819 T820 L907K708-V725 HydrophobicContact CB-CG1 3.84Å; K708-V725 HydrophobicContact CD-CG1 4.06Å; K708-V725 HydrophobicContact CG-CG1 4.43Å; A709-V725 WeakPolarHBondContact O-CA 3Å; V725-V819 WeakPolarHBondContact O-CA 3.08Å; V725-T820 PolarHBondContact N-O 3Å; V725-T820 PolarHBondContact O-N 3.34Å; V725-L907 HydrophobicContact CG2-CD2 4Å
726L98.4Very high90.9Very high0 Ų048 Ų480%026%0.263CS..EExtended strand (participates in β ladder)trans-115.4131.2173.4-62.191.5000109.7K708 A709 I711 I724 L731 F734 I767 I817 I818 V819K708-L726 CarbonylContact C-O 3.41Å; K708-L726 VanDerWaalsContact CA-O 3.31Å; K708-L726 WeakPolarHBondContact CA-O 3.26Å; A709-L726 HydrophobicContact CB-CB 4.39Å; A709-L726 PolarHBondContact N-O 3.49Å; A709-L726 PolarHBondContact O-N 2.9Å; I711-L726 HydrophobicContact CD1-CD1 3.97Å; I711-L726 HydrophobicContact CG1-CD1 3.85Å; I724-L726 HydrophobicContact CG2-CD1 4.46Å; L726-L731 HydrophobicContact CB-CD1 4.11Å; L726-F734 HydrophobicContact CD2-CE1 4.26Å; L726-I767 HydrophobicContact CD1-CD1 4.34Å; L726-I767 HydrophobicContact CD2-CD1 4.3Å; L726-I817 HydrophobicContact CB-CG2 4.29Å; L726-I817 HydrophobicContact CD2-CG2 4.22Å; L726-I818 WeakPolarHBondContact CA-O 3.43Å; L726-V819 HydrophobicContact CD2-CG2 3.81Å; L726-V819 HydrophobicContact CG-CG2 3.99Å
727N98.5Very high92.6Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-130.5151.7174.5-59.3105000109.5L705 K707 K708 I817 I818 Q906L705-N727 HydrophobicContact CD2-CB 3.69Å; K707-N727 PolarHBondContact O-ND2 3.48Å; K708-N727 WeakPolarHBondContact CB-ND2 3.32Å; N727-I817 CarbonylContact O-C 3.46Å; N727-I817 WeakPolarHBondContact O-CA 3.47Å; N727-I818 PolarHBondContact N-O 3.18Å; N727-I818 PolarHBondContact O-N 3.25Å; N727-Q906 PolarHBondContact ND2-OE1 3.17Å; N727-Q906 PolarHBondContact OD1-NE2 3.43Å
728G96.7Very high94.1Very high7 Ų740.3 Ų40.37%0.07221%0.209CC..  trans170.1156177.800000111.9L731G728-L731 WeakPolarHBondContact O-CB 3.44Å; G728-L731 PolarHBondContact O-N 3.34Å
729I93.8Very high94.9Very high93 Ų9341 Ų4148%0.47722%0.224SC..THydrogen-bonded Turntrans-64.1-44.4177.4-69.2-68.9000110.7H704 L731 V813H704-I729 HydrophobicContact CB-CD1 4.11Å; H704-I729 HydrophobicContact CB-CG1 4.15Å; I729-L731 PolarHBondContact O-N 3.32Å; I729-V813 HydrophobicContact CD1-CG1 3.82Å; I729-V813 HydrophobicContact CG1-CG1 3.84Å
730D94.8Very high95.3Very high81 Ų8141.1 Ų41.143%0.43323%0.225SC..THydrogen-bonded Turntrans-88.617.3178.6-62.6-35.9000113.3K732 A733 F734 F792D730-K732 PolarHBondContact O-N 2.9Å; D730-A733 PolarHBondContact O-N 3.33Å; D730-A733 VanDerWaalsContact O-N 3.08Å; D730-F734 PolarHBondContact O-N 3.39Å; D730-F792 HydrophobicContact CB-CD1 4.02Å; D730-F792 HydrophobicContact CB-CE1 3.92Å
731L96Very high95.4Very high8 Ų839.8 Ų39.84%0.04222%0.223CC..Hα-helixtrans-56.6-39.8-176.7-179.665.3000112A709 L726 G728 I729 F734 L735 I817A709-L731 HydrophobicContact CB-CD1 4.05Å; A709-L731 HydrophobicContact CB-CD2 4.23Å; A709-L731 HydrophobicContact CB-CG 4.49Å; L726-L731 HydrophobicContact CB-CD1 4.11Å; G728-L731 WeakPolarHBondContact O-CB 3.44Å; G728-L731 PolarHBondContact O-N 3.34Å; I729-L731 PolarHBondContact O-N 3.32Å; L731-F734 HydrophobicContact CD1-CD1 4.47Å; L731-F734 PolarHBondContact O-N 3.04Å; L731-L735 HydrophobicContact CD1-CD1 4.42Å; L731-L735 HydrophobicContact CD1-CG 4.38Å; L731-L735 HydrophobicContact CG-CD1 4.05Å; L731-L735 HydrophobicContact CG-CG 4.45Å; L731-L735 WeakPolarHBondContact O-CB 3.3Å; L731-L735 WeakPolarHBondContact O-CG 3.1Å; L731-L735 PolarHBondContact O-N 2.87Å; L731-I817 HydrophobicContact CD1-CG2 4.25Å
732K94.8Very high95.4Very high140 Ų14044.4 Ų44.461%0.60924%0.243SC*.Hα-helixtrans-63.9-48176.9-177.2-179.4175-176.90111.6D730 F734 L735 D736D730-K732 PolarHBondContact O-N 2.9Å; K732-F734 VanDerWaalsContact C-N 3.28Å; K732-F734 PolarHBondContact O-N 2.97Å; K732-L735 PolarHBondContact O-N 3.33Å; K732-L735 VanDerWaalsContact O-N 3.16Å; K732-D736 WeakPolarHBondContact CE-OD2 3.43Å; K732-D736 VanDerWaalsContact O-CG 3.25Å; K732-D736 PolarHBondContact O-N 2.88Å
733A96.5Very high95.1Very high46 Ų4649 Ų4938%0.3827%0.266SS..Hα-helixtrans-62.8-37.418000000111.6D730 D736 S737 F792D730-A733 PolarHBondContact O-N 3.33Å; D730-A733 VanDerWaalsContact O-N 3.08Å; A733-D736 PolarHBondContact O-N 3.48Å; A733-S737 PolarHBondContact O-N 3.2Å; A733-S737 VanDerWaalsContact O-N 3.14Å; A733-F792 HydrophobicContact CB-CE1 3.86Å; A733-F792 HydrophobicContact CB-CZ 3.82Å
734F97.5Very high94.7Very high1 Ų150 Ų500%0.00427%0.273CS..Hα-helixtrans-62.5-48.5171.9173-113.4000111.8L726 D730 L731 K732 D736 S737 L738 I767 I772 I789 F792 I794 I817L726-F734 HydrophobicContact CD2-CE1 4.26Å; D730-F734 PolarHBondContact O-N 3.39Å; L731-F734 HydrophobicContact CD1-CD1 4.47Å; L731-F734 PolarHBondContact O-N 3.04Å; K732-F734 VanDerWaalsContact C-N 3.28Å; K732-F734 PolarHBondContact O-N 2.97Å; F734-D736 VanDerWaalsContact C-N 3.33Å; F734-D736 PolarHBondContact O-N 3.09Å; F734-S737 WeakPolarHBondContact O-CB 3.47Å; F734-S737 PolarHBondContact O-N 3.43Å; F734-S737 PolarHBondContact O-OG 3.03Å; F734-L738 HydrophobicContact CD1-CD1 4.49Å; F734-L738 HydrophobicContact CE1-CD1 3.98Å; F734-L738 HydrophobicContact CE2-CD2 4.27Å; F734-L738 HydrophobicContact CZ-CD1 4.05Å; F734-L738 HydrophobicContact CZ-CD2 4.34Å; F734-L738 WeakPolarHBondContact O-CG 3.43Å; F734-I767 HydrophobicContact CE1-CD1 3.97Å; F734-I772 HydrophobicContact CZ-CG2 4.1Å; F734-I789 HydrophobicContact CE2-CB 4.27Å; F734-I789 HydrophobicContact CE2-CG2 4.06Å; F734-F792 HydrophobicContact CB-CD1 4.17Å; F734-F792 HydrophobicContact CB-CD2 4.1Å; F734-F792 HydrophobicContact CB-CE1 4.37Å; F734-F792 HydrophobicContact CB-CE2 4.3Å; F734-F792 HydrophobicContact CB-CG 4.03Å; F734-F792 HydrophobicContact CB-CZ 4.43Å; F734-F792 HydrophobicContact CD2-CB 4.09Å; F734-F792 AromaticContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CE2 4.43Å; F734-F792 HydrophobicContact CD2-CG 4.01Å; F734-F792 HydrophobicContact CG-CD2 4.42Å; F734-F792 HydrophobicContact CG-CG 4.46Å; F734-I794 HydrophobicContact CD2-CD1 4.16Å; F734-I794 HydrophobicContact CE1-CD1 4.41Å; F734-I794 HydrophobicContact CE2-CD1 3.93Å; F734-I794 HydrophobicContact CZ-CD1 4.06Å; F734-I817 HydrophobicContact CB-CD1 3.24Å; F734-I817 HydrophobicContact CD1-CD1 3.84Å; F734-I817 HydrophobicContact CD2-CD1 4.23Å; F734-I817 HydrophobicContact CG-CD1 3.51Å
735L96.2Very high93.9Very high15 Ų1557 Ų578%0.07930%0.303CS..Hα-helixtrans-61.3-39.7177.4-67.9166.7000112.4A709 L731 K732 S737 L738 V741 P765 I767A709-L735 HydrophobicContact CB-CD1 4.16Å; A709-L735 HydrophobicContact CB-CD2 3.9Å; L731-L735 HydrophobicContact CD1-CD1 4.42Å; L731-L735 HydrophobicContact CD1-CG 4.38Å; L731-L735 HydrophobicContact CG-CD1 4.05Å; L731-L735 HydrophobicContact CG-CG 4.45Å; L731-L735 WeakPolarHBondContact O-CB 3.3Å; L731-L735 WeakPolarHBondContact O-CG 3.1Å; L731-L735 PolarHBondContact O-N 2.87Å; K732-L735 PolarHBondContact O-N 3.33Å; K732-L735 VanDerWaalsContact O-N 3.16Å; L735-S737 PolarHBondContact O-N 3.34Å; L735-L738 WeakPolarHBondContact O-CB 3.33Å; L735-L738 PolarHBondContact O-N 3.33Å; L735-V741 HydrophobicContact CB-CG2 4.41Å; L735-V741 HydrophobicContact CD2-CG1 4.12Å; L735-V741 HydrophobicContact CD2-CG2 3.92Å; L735-P765 HydrophobicContact CD1-CB 3.54Å; L735-P765 HydrophobicContact CD1-CG 3.66Å; L735-P765 HydrophobicContact CD2-CB 4.07Å; L735-P765 HydrophobicContact CG-CB 4.43Å; L735-I767 HydrophobicContact CD2-CD1 4.05Å; L735-I767 HydrophobicContact CD2-CG1 3.89Å
736D95.8Very high92.7Very high119 Ų11957.8 Ų57.864%0.63631%0.307SS*.Hα-helixtrans-66.6-20.9176.7-66.3-19.2000111.9K732 A733 F734 L738K732-D736 WeakPolarHBondContact CE-OD2 3.43Å; K732-D736 VanDerWaalsContact O-CG 3.25Å; K732-D736 PolarHBondContact O-N 2.88Å; A733-D736 PolarHBondContact O-N 3.48Å; F734-D736 VanDerWaalsContact C-N 3.33Å; F734-D736 PolarHBondContact O-N 3.09Å; D736-L738 VanDerWaalsContact C-N 3.3Å
737S96.2Very high91Very high44 Ų4466 Ų6631%0.30834%0.343SS..THydrogen-bonded Turntrans-79.8-9173.184.70000113.9A733 F734 L735 N790A733-S737 PolarHBondContact O-N 3.2Å; A733-S737 VanDerWaalsContact O-N 3.14Å; F734-S737 WeakPolarHBondContact O-CB 3.47Å; F734-S737 PolarHBondContact O-N 3.43Å; F734-S737 PolarHBondContact O-OG 3.03Å; L735-S737 PolarHBondContact O-N 3.34Å; S737-N790 PolarHBondContact O-ND2 3.22Å; S737-N790 PolarHBondContact OG-ND2 3.01Å
738L95.4Very high89.1Confident10 Ų1067.7 Ų67.75%0.05236%0.355CS..  trans-100.9129.2-179.2-56.6-179.6000109.9F734 L735 D736 D740 V741 I767 I772F734-L738 HydrophobicContact CD1-CD1 4.49Å; F734-L738 HydrophobicContact CE1-CD1 3.98Å; F734-L738 HydrophobicContact CE2-CD2 4.27Å; F734-L738 HydrophobicContact CZ-CD1 4.05Å; F734-L738 HydrophobicContact CZ-CD2 4.34Å; F734-L738 WeakPolarHBondContact O-CG 3.43Å; L735-L738 WeakPolarHBondContact O-CB 3.33Å; L735-L738 PolarHBondContact O-N 3.33Å; D736-L738 VanDerWaalsContact C-N 3.3Å; L738-D740 VanDerWaalsContact C-N 3.31Å; L738-D740 PolarHBondContact O-N 3.44Å; L738-V741 HydrophobicContact CB-CG2 3.6Å; L738-V741 HydrophobicContact CD1-CG2 3.87Å; L738-V741 HydrophobicContact CG-CG2 4.31Å; L738-I767 HydrophobicContact CD1-CD1 3.84Å; L738-I767 HydrophobicContact CD1-CG1 3.93Å; L738-I767 HydrophobicContact CD1-CG2 4.19Å; L738-I772 HydrophobicContact CD2-CD1 3.27Å; L738-I772 HydrophobicContact CD2-CG1 4.46Å; L738-I772 HydrophobicContact CD2-CG2 4.18Å
739P89.6Confident87.2Confident128 Ų12869 Ų6983%0.83136%0.361SS*.THydrogen-bonded Turntrans-74.5-17.6-171.329.2-35.4000114.6
740D92.3Very high85.3Confident59 Ų5969.8 Ų69.832%0.31637%0.367SS..THydrogen-bonded Turntrans-128.617.2-16158.7-16.7000114.1L738 K742 P768 N770L738-D740 VanDerWaalsContact C-N 3.31Å; L738-D740 PolarHBondContact O-N 3.44Å; D740-K742 PolarHBondContact O-N 3.16Å; D740-P768 HydrophobicContact CB-CG 4.02Å; D740-P768 VanDerWaalsContact CG-CG 3.45Å; D740-P768 WeakPolarHBondContact O-CD 3.49Å; D740-P768 WeakPolarHBondContact OD2-CG 3.36Å; D740-N770 PolarHBondContact OD1-ND2 3.38Å; D740-N770 PolarHBondContact OD2-ND2 2.89Å
741V93.4Very high82.7Confident36 Ų3668.5 Ų68.522%0.21837%0.373CS..  trans-63.3126.4176.1174.10000110.6L735 L738 I743 P765 I767L735-V741 HydrophobicContact CB-CG2 4.41Å; L735-V741 HydrophobicContact CD2-CG1 4.12Å; L735-V741 HydrophobicContact CD2-CG2 3.92Å; L738-V741 HydrophobicContact CB-CG2 3.6Å; L738-V741 HydrophobicContact CD1-CG2 3.87Å; L738-V741 HydrophobicContact CG-CG2 4.31Å; V741-I743 HydrophobicContact CG1-CD1 4.14Å; V741-P765 HydrophobicContact CG1-CB 4.06Å; V741-I767 HydrophobicContact CG2-CG1 4.4Å
742K91.4Very high79.9Confident121 Ų12170.8 Ų70.853%0.52640%0.398SS..EExtended strand (participates in β ladder)trans-95.1138.2174.6-63.4177.2-175.2171.80109.9D740 V766D740-K742 PolarHBondContact O-N 3.16Å; K742-V766 HydrophobicContact CB-CB 4.35Å; K742-V766 PolarHBondContact N-O 3Å; K742-V766 PolarHBondContact O-N 2.66Å
743I90.3Very high77Confident97 Ų9772.4 Ų72.450%0.49741%0.413SS..EExtended strand (participates in β ladder)trans-102.8115.7174-55.7-57.8000109.5V741 N763 P765V741-I743 HydrophobicContact CG1-CD1 4.14Å; I743-N763 HydrophobicContact CG2-CB 3.66Å; I743-P765 HydrophobicContact CD1-CB 4.1Å; I743-P765 HydrophobicContact CD1-CG 4.24Å
744V86.4Confident74.3Confident33 Ų3375.7 Ų75.720%0.243%0.425CS..EExtended strand (participates in β ladder)trans-97.3123.2175.3179.10000109.4I719 M764 V766I719-V744 HydrophobicContact CD1-CG2 3.7Å; V744-M764 PolarHBondContact N-O 3.39Å; V744-M764 PolarHBondContact O-N 2.94Å; V744-V766 HydrophobicContact CB-CG2 4.38Å; V744-V766 HydrophobicContact CG2-CG2 3.64Å
745K80.6Confident71.3Confident158 Ų15880.8 Ų80.869%0.68746%0.458SS*.EExtended strand (participates in β ladder)trans-76.9125.8171.8-66.6-174.6179.4-176.50110A761K745-A761 HydrophobicContact CD-CB 4.41Å
746M71.6Confident68.5Low17 Ų1787.3 Ų87.38%0.08449%0.493CS..EExtended strand (participates in β ladder)trans-87.3130.1173.2-60.8-173.178.500110L762 M764M746-L762 HydrophobicContact CB-CB 4.36Å; M746-L762 HydrophobicContact CB-CD2 4.5Å; M746-L762 HydrophobicContact CG-CD2 4.43Å; M746-L762 PolarHBondContact N-O 3.24Å; M746-L762 HydrophobicContact SD-CD2 3.69Å; M746-M764 HydrophobicContact CG-CB 4.4Å; M746-M764 HydrophobicContact SD-CB 4.38Å
747K64.1Low65.9Low172 Ų17284.3 Ų84.375%0.74848%0.481SS*.PPolyproline II helixtrans-76.3125.4173.9-72.3-177177.21790109.7
748C58.2Low62.9Low37 Ų3786.7 Ų86.725%0.2550%0.498CS..PPolyproline II helixtrans-102.7147.1171.7-71.90000110.7D750C748-D750 VanDerWaalsContact C-N 3.35Å; C748-D750 PolarHBondContact O-N 2.87Å
749P55.8Low60.1Low33 Ų3394 Ų9421%0.21454%0.537CS..THydrogen-bonded Turntrans-56.4-39.2178.1-11.111.3000116.1G751 K982 K986P749-G751 PolarHBondContact O-N 3.46Å; P749-K982 HydrophobicContact CB-CD 4.39Å; P749-K982 HydrophobicContact CB-CG 4.39Å; P749-K982 HydrophobicContact CG-CD 4.24Å; P749-K982 VanDerWaalsContact CG-CE 3.42Å; P749-K982 HydrophobicContact CG-CG 3.77Å; P749-K986 HydrophobicContact CG-CB 3.98Å; P749-K986 HydrophobicContact CG-CD 3.9Å; P749-K986 HydrophobicContact CG-CG 4.07Å
750D54Low58Low110 Ų11091.8 Ų91.859%0.58852%0.522SS*.THydrogen-bonded Turntrans-99.420.2-160.7-53.3-41.2000113.1C748 G752C748-D750 VanDerWaalsContact C-N 3.35Å; C748-D750 PolarHBondContact O-N 2.87Å; D750-G752 VanDerWaalsContact C-N 3.34Å; D750-G752 PolarHBondContact O-N 2.97Å; D750-G752 VanDerWaalsContact O-N 3.15Å
751G41.5Very low56.2Low54 Ų5491.1 Ų91.156%0.55752%0.524SS*.  trans-79.785.8164.500000109.3P749P749-G751 PolarHBondContact O-N 3.46Å
752G35.5Very low55.2Low56 Ų5690.7 Ų90.758%0.57752%0.52SS*.  trans-54.8146151.200000108.2D750 N754D750-G752 VanDerWaalsContact C-N 3.34Å; D750-G752 PolarHBondContact O-N 2.97Å; D750-G752 VanDerWaalsContact O-N 3.15Å; G752-N754 PolarHBondContact O-N 3.24Å
753D35.2Very low54.9Low174 Ų17489 Ų8993%0.9352%0.517SS*.SBendtrans-6359.8-178.8-70.8-46.8000112.6P755D753-P755 WeakPolarHBondContact O-CD 3.45Å
754N39.2Very low54.9Low115 Ų11584.9 Ų84.962%0.61550%0.496SS*.  trans-98.9110.5173.3-135.22.6000107.6G752 D756 S757G752-N754 PolarHBondContact O-N 3.24Å; N754-D756 PolarHBondContact O-N 3.18Å; N754-D756 VanDerWaalsContact O-N 3.07Å; N754-S757 WeakPolarHBondContact O-CB 3.09Å; N754-S757 PolarHBondContact O-N 3.19Å; N754-S757 VanDerWaalsContact O-N 3.09Å; N754-S757 PolarHBondContact O-OG 3Å
755P35.4Very low55.3Low109 Ų10984.3 Ų84.371%0.70849%0.493SS*.G310 helixtrans-58.5-22.3-174-24.133.6000114.5D753 S757D753-P755 WeakPolarHBondContact O-CD 3.45Å; P755-S757 VanDerWaalsContact C-N 3.29Å; P755-S757 PolarHBondContact O-N 3.21Å
756D37.1Very low56Low151 Ų15176.9 Ų76.981%0.80746%0.461SS*.G310 helixtrans-78.3-6.4179.4-75.2-24.3000114.4N754 S758N754-D756 PolarHBondContact O-N 3.18Å; N754-D756 VanDerWaalsContact O-N 3.07Å; D756-S758 PolarHBondContact O-N 3.06Å
757S40.8Very low57.1Low56 Ų5676.1 Ų76.139%0.39246%0.457SS..G310 helixtrans-78.32.9177.666.10000114.5N754 P755 N759 T760N754-S757 WeakPolarHBondContact O-CB 3.09Å; N754-S757 PolarHBondContact O-N 3.19Å; N754-S757 VanDerWaalsContact O-N 3.09Å; N754-S757 PolarHBondContact O-OG 3Å; P755-S757 VanDerWaalsContact C-N 3.29Å; P755-S757 PolarHBondContact O-N 3.21Å; S757-N759 PolarHBondContact O-N 3.46Å; S757-T760 PolarHBondContact O-N 3.44Å; S757-T760 PolarHBondContact O-OG1 3.01Å
758S33.9Very low58.5Low95 Ų9568.9 Ų68.966%0.66443%0.428SS*.G310 helixtrans-56.2-22-17466.90000115D756D756-S758 PolarHBondContact O-N 3.06Å
759N36.3Very low60.1Low163 Ų16370.1 Ų70.187%0.87243%0.43SS*.G310 helixtrans-81.4-3.3175.4-94-11.6000115.4S757S757-N759 PolarHBondContact O-N 3.46Å
760T45.9Very low61.7Low82 Ų8269.9 Ų69.950%0.50343%0.427SS..G310 helixtrans-108.49.4-179.254.60000114.5S757 L762S757-T760 PolarHBondContact O-N 3.44Å; S757-T760 PolarHBondContact O-OG1 3.01Å; T760-L762 PolarHBondContact O-N 3.03Å; T760-L762 VanDerWaalsContact O-N 3.17Å
761A53Low63.6Low44 Ų4470.1 Ų70.136%0.36443%0.433SS..  trans-63.8117.1175.400000110.4K745 N763K745-A761 HydrophobicContact CD-CB 4.41Å; A761-N763 PolarHBondContact O-N 3.48Å; A761-N763 PolarHBondContact O-OD1 3.01Å
762L73.2Confident66.1Low27 Ų2769.2 Ų69.214%0.14142%0.415CS..EExtended strand (participates in β ladder)trans-77.7120.2-177.2-151.6135.8000109.1M746 T760 W988 K989M746-L762 HydrophobicContact CB-CB 4.36Å; M746-L762 HydrophobicContact CB-CD2 4.5Å; M746-L762 HydrophobicContact CG-CD2 4.43Å; M746-L762 PolarHBondContact N-O 3.24Å; M746-L762 HydrophobicContact SD-CD2 3.69Å; T760-L762 PolarHBondContact O-N 3.03Å; T760-L762 VanDerWaalsContact O-N 3.17Å; L762-W988 HydrophobicContact CD2-CG 4.2Å; L762-K989 HydrophobicContact CD1-CB 3.52Å; L762-K989 HydrophobicContact CD1-CG 4.01Å
763N85.8Confident68.9Low86 Ų8666.5 Ų66.546%0.4639%0.387SS..EExtended strand (participates in β ladder)trans-106.5133.2-170.7-70.4-20.5000110.9I743 A761I743-N763 HydrophobicContact CG2-CB 3.66Å; A761-N763 PolarHBondContact O-N 3.48Å; A761-N763 PolarHBondContact O-OD1 3.01Å
764M89.9Confident71.7Confident11 Ų1163.2 Ų63.25%0.05437%0.366CS..EExtended strand (participates in β ladder)trans-111.6109.5172.4-173.6176.575.100109.4V710 I719 D721 V744 M746 V766V710-M764 HydrophobicContact CG1-SD 4.27Å; V710-M764 HydrophobicContact CG2-CE 3.93Å; V710-M764 HydrophobicContact CG2-CG 4.3Å; V710-M764 HydrophobicContact CG2-SD 4.11Å; I719-M764 HydrophobicContact CG2-CE 3.58Å; D721-M764 HydrophobicContact CB-CE 4.24Å; D721-M764 HydrophobicContact CB-SD 3.49Å; D721-M764 WeakPolarHBondContact CB-SD 3.33Å; V744-M764 PolarHBondContact N-O 3.39Å; V744-M764 PolarHBondContact O-N 2.94Å; M746-M764 HydrophobicContact CG-CB 4.4Å; M746-M764 HydrophobicContact SD-CB 4.38Å; M764-V766 HydrophobicContact CE-CG2 4.02Å
765P94.4Very high74.4Confident21 Ų2159.6 Ų59.614%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-65.7133.6170.6-18.531.3000111.6K708 A709 V710 L735 V741 I743K708-P765 WeakPolarHBondContact O-CD 3.48Å; A709-P765 WeakPolarHBondContact CA-O 3.34Å; A709-P765 HydrophobicContact CB-CB 4.02Å; V710-P765 PolarHBondContact N-O 3.4Å; L735-P765 HydrophobicContact CD1-CB 3.54Å; L735-P765 HydrophobicContact CD1-CG 3.66Å; L735-P765 HydrophobicContact CD2-CB 4.07Å; L735-P765 HydrophobicContact CG-CB 4.43Å; V741-P765 HydrophobicContact CG1-CB 4.06Å; I743-P765 HydrophobicContact CD1-CB 4.1Å; I743-P765 HydrophobicContact CD1-CG 4.24Å
766V95.1Very high77.3Confident1 Ų154.4 Ų54.41%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-126.1117.1-178.6-176.10000108.6V710 D712 I719 K742 V744 M764V710-V766 HydrophobicContact CG2-CB 4.32Å; V710-V766 HydrophobicContact CG2-CG1 4.27Å; V710-V766 HydrophobicContact CG2-CG2 3.83Å; V710-V766 CarbonylContact O-C 3.58Å; V710-V766 WeakPolarHBondContact O-CA 3.25Å; D712-V766 HydrophobicContact CB-CG1 3.75Å; I719-V766 HydrophobicContact CD1-CG1 4.31Å; I719-V766 HydrophobicContact CD1-CG2 4.34Å; I719-V766 HydrophobicContact CG2-CG1 4.06Å; I719-V766 HydrophobicContact CG2-CG2 3.71Å; K742-V766 HydrophobicContact CB-CB 4.35Å; K742-V766 PolarHBondContact N-O 3Å; K742-V766 PolarHBondContact O-N 2.66Å; V744-V766 HydrophobicContact CB-CG2 4.38Å; V744-V766 HydrophobicContact CG2-CG2 3.64Å; M764-V766 HydrophobicContact CE-CG2 4.02Å
767I94.9Very high80.1Confident1 Ų148.9 Ų48.91%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-84.2119.6171.9-56.5173.1000106.5V710 I711 D712 L726 F734 L735 L738 V741 A773V710-I767 PolarHBondContact O-N 3.37Å; I711-I767 WeakPolarHBondContact CA-O 3.26Å; I711-I767 HydrophobicContact CG1-CB 4.04Å; I711-I767 HydrophobicContact CG1-CD1 4.4Å; I711-I767 HydrophobicContact CG1-CG2 4.39Å; D712-I767 PolarHBondContact N-O 3.32Å; L726-I767 HydrophobicContact CD1-CD1 4.34Å; L726-I767 HydrophobicContact CD2-CD1 4.3Å; F734-I767 HydrophobicContact CE1-CD1 3.97Å; L735-I767 HydrophobicContact CD2-CD1 4.05Å; L735-I767 HydrophobicContact CD2-CG1 3.89Å; L738-I767 HydrophobicContact CD1-CD1 3.84Å; L738-I767 HydrophobicContact CD1-CG1 3.93Å; L738-I767 HydrophobicContact CD1-CG2 4.19Å; V741-I767 HydrophobicContact CG2-CG1 4.4Å; I767-A773 HydrophobicContact CG2-CB 4.34Å
768P92.3Very high82.8Confident21 Ų2150.7 Ų50.714%0.13629%0.291CS..  trans-68166.3176.531.8-36.2000110.7D740 N770 A773D740-P768 HydrophobicContact CB-CG 4.02Å; D740-P768 VanDerWaalsContact CG-CG 3.45Å; D740-P768 WeakPolarHBondContact O-CD 3.49Å; D740-P768 WeakPolarHBondContact OD2-CG 3.36Å; P768-N770 VanDerWaalsContact C-N 3.28Å; P768-N770 PolarHBondContact O-N 3.5Å; P768-A773 WeakPolarHBondContact O-CB 3.39Å
769M91.9Very high85.8Confident62 Ų6246.2 Ų46.231%0.30526%0.26SS..SBendtrans-70.685.3174.5-159.963.7-16200111I711 F713 A773 E774 I777I711-M769 HydrophobicContact CG2-SD 4.31Å; F713-M769 HydrophobicContact CB-SD 4.44Å; M769-A773 HydrophobicContact SD-CB 4.01Å; M769-E774 HydrophobicContact CE-CB 4.22Å; M769-E774 HydrophobicContact CE-CG 3.34Å; M769-I777 HydrophobicContact CE-CD1 3.58Å; M769-I777 HydrophobicContact SD-CD1 3.83Å
770N91.3Very high88.7Confident29 Ų2939 Ų3916%0.15522%0.221CC..SBendtrans-117.5-179.4176.86518.1000110.4D740 P768 I772 A773 E774D740-N770 PolarHBondContact OD1-ND2 3.38Å; D740-N770 PolarHBondContact OD2-ND2 2.89Å; P768-N770 VanDerWaalsContact C-N 3.28Å; P768-N770 PolarHBondContact O-N 3.5Å; N770-I772 PolarHBondContact O-N 2.92Å; N770-I772 VanDerWaalsContact O-N 3.14Å; N770-I772 WeakPolarHBondContact OD1-CB 3.34Å; N770-I772 PolarHBondContact OD1-N 3.12Å; N770-I772 VanDerWaalsContact OD1-N 3.16Å; N770-A773 WeakPolarHBondContact O-CB 3.34Å; N770-A773 PolarHBondContact O-N 3.5Å; N770-A773 PolarHBondContact OD1-N 3.04Å; N770-E774 WeakPolarHBondContact O-CG 3.32Å; N770-E774 PolarHBondContact O-N 3.43Å
771T92.6Very high91.1Very high114 Ų11440.6 Ų40.670%0.69923%0.227SC*.Hα-helixtrans-58.2-31-177.8-46.50000113.2A775T771-A775 WeakPolarHBondContact O-CB 3.11Å; T771-A775 PolarHBondContact O-N 3.1Å
772I94Very high93.2Very high35 Ų3546.7 Ų46.718%0.17924%0.24CC..Hα-helixtrans-71.7-44.9176.8-73.4173.1000110.5F734 L738 N770 E774 A775 V776 I789F734-I772 HydrophobicContact CZ-CG2 4.1Å; L738-I772 HydrophobicContact CD2-CD1 3.27Å; L738-I772 HydrophobicContact CD2-CG1 4.46Å; L738-I772 HydrophobicContact CD2-CG2 4.18Å; N770-I772 PolarHBondContact O-N 2.92Å; N770-I772 VanDerWaalsContact O-N 3.14Å; N770-I772 WeakPolarHBondContact OD1-CB 3.34Å; N770-I772 PolarHBondContact OD1-N 3.12Å; N770-I772 VanDerWaalsContact OD1-N 3.16Å; I772-E774 VanDerWaalsContact C-N 3.32Å; I772-E774 PolarHBondContact O-N 2.98Å; I772-A775 PolarHBondContact O-N 2.9Å; I772-V776 WeakPolarHBondContact O-CG2 3.23Å; I772-V776 PolarHBondContact O-N 3.2Å; I772-I789 HydrophobicContact CD1-CG2 3.74Å; I772-I789 HydrophobicContact CG1-CG2 3.83Å; I772-I789 HydrophobicContact CG2-CD1 3.91Å; I772-I789 HydrophobicContact CG2-CG2 4.03Å
773A94.3Very high94.2Very high0 Ų047.9 Ų47.90%026%0.259CS..Hα-helixtrans-60.5-41.4173.900000112I711 I767 P768 M769 N770 V776 I777I711-A773 HydrophobicContact CD1-CB 4.16Å; I711-A773 HydrophobicContact CG1-CB 4.27Å; I711-A773 HydrophobicContact CG2-CB 3.75Å; I767-A773 HydrophobicContact CG2-CB 4.34Å; P768-A773 WeakPolarHBondContact O-CB 3.39Å; M769-A773 HydrophobicContact SD-CB 4.01Å; N770-A773 WeakPolarHBondContact O-CB 3.34Å; N770-A773 PolarHBondContact O-N 3.5Å; N770-A773 PolarHBondContact OD1-N 3.04Å; A773-V776 PolarHBondContact O-N 3.4Å; A773-I777 VanDerWaalsContact O-CG1 3.32Å; A773-I777 WeakPolarHBondContact O-CG1 3.41Å; A773-I777 PolarHBondContact O-N 2.94Å
774E94.8Very high94.8Very high104 Ų10447.9 Ų47.949%0.48626%0.256SS..Hα-helixtrans-59.9-48.3174.8-73.4174.2171.700112.1M769 N770 I772 V776 I777 E778M769-E774 HydrophobicContact CE-CB 4.22Å; M769-E774 HydrophobicContact CE-CG 3.34Å; N770-E774 WeakPolarHBondContact O-CG 3.32Å; N770-E774 PolarHBondContact O-N 3.43Å; I772-E774 VanDerWaalsContact C-N 3.32Å; I772-E774 PolarHBondContact O-N 2.98Å; E774-V776 VanDerWaalsContact C-N 3.31Å; E774-V776 PolarHBondContact O-N 3.16Å; E774-I777 PolarHBondContact O-N 2.92Å; E774-E778 WeakPolarHBondContact O-CB 3.37Å; E774-E778 PolarHBondContact O-N 3.24Å
775A96.1Very high95.1Very high39 Ų3950.7 Ų50.732%0.32227%0.271SS..Hα-helixtrans-62.1-39.2178.100000112.3T771 I772 E778 M779 I787T771-A775 WeakPolarHBondContact O-CB 3.11Å; T771-A775 PolarHBondContact O-N 3.1Å; I772-A775 PolarHBondContact O-N 2.9Å; A775-E778 PolarHBondContact O-N 3.44Å; A775-M779 WeakPolarHBondContact O-CB 3.42Å; A775-M779 PolarHBondContact O-N 3.45Å; A775-I787 HydrophobicContact CB-CD1 4.37Å
776V96.7Very high95.2Very high1 Ų153.6 Ų53.61%0.00628%0.282CS..Hα-helixtrans-63.8-45.9174.6168.10000111.1I711 I772 A773 E774 E778 M779 I780 I787 I789 I794 V819I711-V776 HydrophobicContact CD1-CB 4.15Å; I711-V776 HydrophobicContact CD1-CG1 3.82Å; I772-V776 WeakPolarHBondContact O-CG2 3.23Å; I772-V776 PolarHBondContact O-N 3.2Å; A773-V776 PolarHBondContact O-N 3.4Å; E774-V776 VanDerWaalsContact C-N 3.31Å; E774-V776 PolarHBondContact O-N 3.16Å; V776-E778 VanDerWaalsContact C-N 3.34Å; V776-M779 WeakPolarHBondContact O-CB 3.23Å; V776-M779 PolarHBondContact O-N 3.17Å; V776-I780 VanDerWaalsContact O-CG1 3.32Å; V776-I780 WeakPolarHBondContact O-CG1 3.35Å; V776-I780 PolarHBondContact O-N 3.35Å; V776-I780 VanDerWaalsContact O-N 3.13Å; V776-I787 HydrophobicContact CG2-CD1 4.33Å; V776-I789 HydrophobicContact CG2-CD1 3.78Å; V776-I794 HydrophobicContact CG2-CG2 4.16Å; V776-V819 HydrophobicContact CG1-CB 4.23Å; V776-V819 HydrophobicContact CG1-CG1 3.67Å; V776-V819 HydrophobicContact CG1-CG2 3.74Å
777I95.6Very high95.4Very high35 Ų3555.1 Ų55.118%0.17929%0.29CS..Hα-helixtrans-65.5-39.7178.3-70.9167.7000110.8I711 F713 I724 M769 A773 E774 I780 N781I711-I777 HydrophobicContact CG2-CD1 4.18Å; F713-I777 HydrophobicContact CB-CD1 4.28Å; I724-I777 HydrophobicContact CD1-CD1 3.93Å; I724-I777 HydrophobicContact CD1-CG1 4.03Å; M769-I777 HydrophobicContact CE-CD1 3.58Å; M769-I777 HydrophobicContact SD-CD1 3.83Å; A773-I777 VanDerWaalsContact O-CG1 3.32Å; A773-I777 WeakPolarHBondContact O-CG1 3.41Å; A773-I777 PolarHBondContact O-N 2.94Å; E774-I777 PolarHBondContact O-N 2.92Å; I777-I780 PolarHBondContact O-N 3.08Å; I777-N781 WeakPolarHBondContact O-CB 3.13Å; I777-N781 VanDerWaalsContact O-CG 3.24Å; I777-N781 PolarHBondContact O-N 2.83Å; I777-N781 PolarHBondContact O-ND2 2.96Å
778E96.7Very high95.5Very high94 Ų9459.8 Ų59.844%0.43932%0.319SS..Hα-helixtrans-63.9-41.6176.1-171.3174.5-168.100111.8E774 A775 V776 I780 N781 R782E774-E778 WeakPolarHBondContact O-CB 3.37Å; E774-E778 PolarHBondContact O-N 3.24Å; A775-E778 PolarHBondContact O-N 3.44Å; V776-E778 VanDerWaalsContact C-N 3.34Å; E778-I780 VanDerWaalsContact C-N 3.29Å; E778-I780 PolarHBondContact O-N 2.66Å; E778-N781 PolarHBondContact O-N 2.92Å; E778-R782 HydrophobicContact CG-CG 4.23Å; E778-R782 WeakPolarHBondContact O-CB 3.28Å; E778-R782 WeakPolarHBondContact O-CG 3.5Å; E778-R782 PolarHBondContact O-N 3.09Å; E778-R782 IonicContact OE1-CZ 2.76Å; E778-R782 IonicContact OE1-NE 3.8Å; E778-R782 PolarHBondContact OE1-NE 3.39Å; E778-R782 IonicContact OE1-NH2 3.64Å; E778-R782 PolarHBondContact OE1-NH2 2.94Å
779M97.7Very high95.7Very high0 Ų059.6 Ų59.60%032%0.316CS..Hα-helixtrans-55.1-46.5172.8176.6-161.769.600111.2A775 V776 G783 Q784 I787 I794 N796 V819A775-M779 WeakPolarHBondContact O-CB 3.42Å; A775-M779 PolarHBondContact O-N 3.45Å; V776-M779 WeakPolarHBondContact O-CB 3.23Å; V776-M779 PolarHBondContact O-N 3.17Å; M779-G783 PolarHBondContact O-N 3.18Å; M779-Q784 HydrophobicContact CB-CB 4.43Å; M779-Q784 HydrophobicContact CG-CB 3.67Å; M779-Q784 PolarHBondContact O-N 3.09Å; M779-I787 HydrophobicContact CB-CD1 4.13Å; M779-I787 HydrophobicContact CB-CG2 4.07Å; M779-I787 HydrophobicContact CG-CG2 3.89Å; M779-I787 HydrophobicContact SD-CB 4.3Å; M779-I787 HydrophobicContact SD-CD1 4.2Å; M779-I787 HydrophobicContact SD-CG1 3.75Å; M779-I787 HydrophobicContact SD-CG2 4.03Å; M779-I794 HydrophobicContact CE-CG2 4.5Å; M779-I794 VanDerWaalsContact SD-O 3.41Å; M779-N796 HydrophobicContact CE-CB 4.2Å; M779-V819 HydrophobicContact CE-CB 4.33Å; M779-V819 HydrophobicContact CE-CG2 4.32Å
780I97.4Very high95.9Very high13 Ų1361 Ų617%0.06733%0.325CS..Hα-helixtrans-64.3-49179-63.3-68.5000110.8V776 I777 E778 R782 G783 N796 V819 T821 Q824V776-I780 VanDerWaalsContact O-CG1 3.32Å; V776-I780 WeakPolarHBondContact O-CG1 3.35Å; V776-I780 PolarHBondContact O-N 3.35Å; V776-I780 VanDerWaalsContact O-N 3.13Å; I777-I780 PolarHBondContact O-N 3.08Å; E778-I780 VanDerWaalsContact C-N 3.29Å; E778-I780 PolarHBondContact O-N 2.66Å; I780-R782 VanDerWaalsContact C-N 3.29Å; I780-R782 PolarHBondContact O-N 3.45Å; I780-G783 PolarHBondContact O-N 3.33Å; I780-N796 HydrophobicContact CD1-CB 4.2Å; I780-V819 HydrophobicContact CD1-CB 4.12Å; I780-V819 HydrophobicContact CD1-CG1 3.99Å; I780-V819 HydrophobicContact CG1-CG1 4.09Å; I780-T821 HydrophobicContact CD1-CG2 4.47Å; I780-T821 HydrophobicContact CG1-CG2 4.17Å; I780-T821 HydrophobicContact CG2-CG2 4.06Å; I780-Q824 HydrophobicContact CG2-CG 3.83Å
781N96Very high96.1Very high115 Ų11562.8 Ų62.862%0.61535%0.351SS*.Hα-helixtrans-63.8-33.8-178-70.5-16.8000112.8I777 E778 G783I777-N781 WeakPolarHBondContact O-CB 3.13Å; I777-N781 VanDerWaalsContact O-CG 3.24Å; I777-N781 PolarHBondContact O-N 2.83Å; I777-N781 PolarHBondContact O-ND2 2.96Å; E778-N781 PolarHBondContact O-N 2.92Å; N781-G783 VanDerWaalsContact C-N 3.29Å
782R96.8Very high96.3Very high172 Ų17259.4 Ų59.465%0.64933%0.327SS*.THydrogen-bonded Turntrans-82.1-5.1176.2-68.9-175.3177.9-1424113.5E778 I780 Q784E778-R782 HydrophobicContact CG-CG 4.23Å; E778-R782 WeakPolarHBondContact O-CB 3.28Å; E778-R782 WeakPolarHBondContact O-CG 3.5Å; E778-R782 PolarHBondContact O-N 3.09Å; E778-R782 IonicContact OE1-CZ 2.76Å; E778-R782 IonicContact OE1-NE 3.8Å; E778-R782 PolarHBondContact OE1-NE 3.39Å; E778-R782 IonicContact OE1-NH2 3.64Å; E778-R782 PolarHBondContact OE1-NH2 2.94Å; I780-R782 VanDerWaalsContact C-N 3.29Å; I780-R782 PolarHBondContact O-N 3.45Å; R782-Q784 HydrophobicContact CB-CG 4.03Å; R782-Q784 PolarHBondContact O-N 3.05Å
783G95Very high96.5Very high52 Ų5260.2 Ų60.254%0.53634%0.335SS..THydrogen-bonded Turntrans63.226.5-174.500000113.2M779 I780 N781M779-G783 PolarHBondContact O-N 3.18Å; I780-G783 PolarHBondContact O-N 3.33Å; N781-G783 VanDerWaalsContact C-N 3.29Å
784Q97.1Very high96.7Very high85 Ų8560.2 Ų60.240%0.39734%0.335SS..  trans-66.8145.1176.5-75.2178.7-48.500110.4M779 R782 N796M779-Q784 HydrophobicContact CB-CB 4.43Å; M779-Q784 HydrophobicContact CG-CB 3.67Å; M779-Q784 PolarHBondContact O-N 3.09Å; R782-Q784 HydrophobicContact CB-CG 4.03Å; R782-Q784 PolarHBondContact O-N 3.05Å; Q784-N796 WeakPolarHBondContact O-CB 3.46Å; Q784-N796 PolarHBondContact O-ND2 3.03Å
785I96.9Very high96.8Very high71 Ų7155.2 Ų55.236%0.36431%0.312SS..SBendtrans-66.3-51.6-176.5-64.2175.6000110.8N796 A799 I803I785-N796 WeakPolarHBondContact O-CB 3.27Å; I785-N796 PolarHBondContact O-N 3.36Å; I785-A799 HydrophobicContact CB-CB 4.22Å; I785-A799 HydrophobicContact CG1-CB 4.28Å; I785-A799 HydrophobicContact CG2-CB 3.89Å; I785-I803 HydrophobicContact CG2-CD1 3.88Å; I785-I803 HydrophobicContact CG2-CG1 3.63Å
786Q97.1Very high96.9Very high82 Ų8253.7 Ų53.738%0.38330%0.298SS..EExtended strand (participates in β ladder)trans-161.8161178.962.1-178.8-26.700111.2I794 I803Q786-I794 CarbonylContact C-O 3.59Å; Q786-I794 WeakPolarHBondContact CA-O 3.32Å; Q786-I794 VanDerWaalsContact CB-O 3.29Å; Q786-I794 WeakPolarHBondContact CB-O 3.35Å; Q786-I803 HydrophobicContact CB-CD1 4.38Å
787I97.9Very high96.9Very high33 Ų3353.7 Ų53.717%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-128.8170.5169.562.6-179.7000109.8A775 V776 M779 I789 I794A775-I787 HydrophobicContact CB-CD1 4.37Å; V776-I787 HydrophobicContact CG2-CD1 4.33Å; M779-I787 HydrophobicContact CB-CD1 4.13Å; M779-I787 HydrophobicContact CB-CG2 4.07Å; M779-I787 HydrophobicContact CG-CG2 3.89Å; M779-I787 HydrophobicContact SD-CB 4.3Å; M779-I787 HydrophobicContact SD-CD1 4.2Å; M779-I787 HydrophobicContact SD-CG1 3.75Å; M779-I787 HydrophobicContact SD-CG2 4.03Å; I787-I789 HydrophobicContact CD1-CD1 3.63Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CD1 4.21Å; I787-I789 HydrophobicContact CG1-CG1 4.33Å; I787-I794 HydrophobicContact CG1-CB 4.01Å; I787-I794 PolarHBondContact N-O 2.88Å; I787-I794 PolarHBondContact O-N 3.26Å
788T97.8Very high96.9Very high98 Ų9855.5 Ų55.560%0.60131%0.308SS*.EExtended strand (participates in β ladder)trans-120.2127.4173.5-56.80000109.5F792T788-F792 WeakPolarHBondContact CA-O 3.46Å
789I96.2Very high97Very high18 Ų1851.3 Ų51.39%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-130.9127178.4-61.8167.8000107.7F734 I772 V776 I787 G791 F792 I794F734-I789 HydrophobicContact CE2-CB 4.27Å; F734-I789 HydrophobicContact CE2-CG2 4.06Å; I772-I789 HydrophobicContact CD1-CG2 3.74Å; I772-I789 HydrophobicContact CG1-CG2 3.83Å; I772-I789 HydrophobicContact CG2-CD1 3.91Å; I772-I789 HydrophobicContact CG2-CG2 4.03Å; V776-I789 HydrophobicContact CG2-CD1 3.78Å; I787-I789 HydrophobicContact CD1-CD1 3.63Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CD1 4.21Å; I787-I789 HydrophobicContact CG1-CG1 4.33Å; I789-G791 PolarHBondContact O-N 3.46Å; I789-G791 VanDerWaalsContact O-N 3.08Å; I789-F792 PolarHBondContact N-O 3Å; I789-F792 WeakPolarHBondContact O-CB 3.37Å; I789-F792 PolarHBondContact O-N 2.95Å; I789-I794 HydrophobicContact CB-CG1 4.29Å; I789-I794 HydrophobicContact CD1-CG1 4.09Å; I789-I794 HydrophobicContact CG1-CG1 4.35Å
790N95.2Very high97Very high90 Ų9051.6 Ų51.648%0.48129%0.291SS..THydrogen-bonded Turntrans51.931.3-178.6-60.4-9000113.7S737 F792S737-N790 PolarHBondContact O-ND2 3.22Å; S737-N790 PolarHBondContact OG-ND2 3.01Å; N790-F792 VanDerWaalsContact C-N 3.3Å; N790-F792 HydrophobicContact CB-CD2 4.12Å; N790-F792 HydrophobicContact CB-CE2 4.37Å; N790-F792 VanDerWaalsContact O-CD2 3.29Å; N790-F792 WeakPolarHBondContact O-CD2 3.35Å; N790-F792 WeakPolarHBondContact O-CE2 3.4Å; N790-F792 PolarHBondContact O-N 3.23Å
791G95.7Very high96.9Very high68 Ų6853.8 Ų53.870%0.70131%0.305SS*.THydrogen-bonded Turntrans82.4-4.8-176.500000115.4I789I789-G791 PolarHBondContact O-N 3.46Å; I789-G791 VanDerWaalsContact O-N 3.08Å
792F97.7Very high96.9Very high43 Ų4354.8 Ų54.819%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-92131.5177-59-86.6000111D730 A733 F734 T788 I789 N790 I794 I817D730-F792 HydrophobicContact CB-CD1 4.02Å; D730-F792 HydrophobicContact CB-CE1 3.92Å; A733-F792 HydrophobicContact CB-CE1 3.86Å; A733-F792 HydrophobicContact CB-CZ 3.82Å; F734-F792 HydrophobicContact CB-CD1 4.17Å; F734-F792 HydrophobicContact CB-CD2 4.1Å; F734-F792 HydrophobicContact CB-CE1 4.37Å; F734-F792 HydrophobicContact CB-CE2 4.3Å; F734-F792 HydrophobicContact CB-CG 4.03Å; F734-F792 HydrophobicContact CB-CZ 4.43Å; F734-F792 HydrophobicContact CD2-CB 4.09Å; F734-F792 AromaticContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CD2 3.73Å; F734-F792 HydrophobicContact CD2-CE2 4.43Å; F734-F792 HydrophobicContact CD2-CG 4.01Å; F734-F792 HydrophobicContact CG-CD2 4.42Å; F734-F792 HydrophobicContact CG-CG 4.46Å; T788-F792 WeakPolarHBondContact CA-O 3.46Å; I789-F792 PolarHBondContact N-O 3Å; I789-F792 WeakPolarHBondContact O-CB 3.37Å; I789-F792 PolarHBondContact O-N 2.95Å; N790-F792 VanDerWaalsContact C-N 3.3Å; N790-F792 HydrophobicContact CB-CD2 4.12Å; N790-F792 HydrophobicContact CB-CE2 4.37Å; N790-F792 VanDerWaalsContact O-CD2 3.29Å; N790-F792 WeakPolarHBondContact O-CD2 3.35Å; N790-F792 WeakPolarHBondContact O-CE2 3.4Å; N790-F792 PolarHBondContact O-N 3.23Å; F792-I794 HydrophobicContact CB-CD1 4.07Å; F792-I794 PolarHBondContact O-N 3.02Å; F792-I817 HydrophobicContact CB-CD1 4.13Å; F792-I817 HydrophobicContact CD1-CD1 4.3Å; F792-I817 HydrophobicContact CG-CD1 4.38Å
793S97.5Very high97Very high51 Ų5149.1 Ų49.136%0.35729%0.288SS..EExtended strand (participates in β ladder)trans-75.4114.7171.5-58.50000110.1I817S793-I817 PolarHBondContact O-N 3.14Å
794I98.1Very high97.1Very high0 Ų049 Ų490%028%0.275CS..EExtended strand (participates in β ladder)trans-105.1114177.7-46.7-56.4000107.9F734 V776 M779 Q786 I787 I789 F792 I817 V819F734-I794 HydrophobicContact CD2-CD1 4.16Å; F734-I794 HydrophobicContact CE1-CD1 4.41Å; F734-I794 HydrophobicContact CE2-CD1 3.93Å; F734-I794 HydrophobicContact CZ-CD1 4.06Å; V776-I794 HydrophobicContact CG2-CG2 4.16Å; M779-I794 HydrophobicContact CE-CG2 4.5Å; M779-I794 VanDerWaalsContact SD-O 3.41Å; Q786-I794 CarbonylContact C-O 3.59Å; Q786-I794 WeakPolarHBondContact CA-O 3.32Å; Q786-I794 VanDerWaalsContact CB-O 3.29Å; Q786-I794 WeakPolarHBondContact CB-O 3.35Å; I787-I794 HydrophobicContact CG1-CB 4.01Å; I787-I794 PolarHBondContact N-O 2.88Å; I787-I794 PolarHBondContact O-N 3.26Å; I789-I794 HydrophobicContact CB-CG1 4.29Å; I789-I794 HydrophobicContact CD1-CG1 4.09Å; I789-I794 HydrophobicContact CG1-CG1 4.35Å; F792-I794 HydrophobicContact CB-CD1 4.07Å; F792-I794 PolarHBondContact O-N 3.02Å; I794-I817 CarbonylContact C-O 3.56Å; I794-I817 VanDerWaalsContact CA-O 3.32Å; I794-I817 WeakPolarHBondContact CA-O 3.38Å; I794-I817 HydrophobicContact CD1-CB 3.7Å; I794-I817 HydrophobicContact CD1-CD1 3.85Å; I794-I817 HydrophobicContact CD1-CG1 4.28Å; I794-I817 HydrophobicContact CD1-CG2 4.02Å; I794-V819 HydrophobicContact CG2-CG2 3.34Å
795S98.1Very high97.1Very high0 Ų049.2 Ų49.20%028%0.279CS..EExtended strand (participates in β ladder)trans-110.1145.1-172.855.30000113.2G797 T816 I817 I818 V819S795-G797 PolarHBondContact O-N 3.4Å; S795-T816 WeakPolarHBondContact OG-CB 3.17Å; S795-T816 PolarHBondContact OG-OG1 2.84Å; S795-I817 PolarHBondContact N-O 3.44Å; S795-I817 PolarHBondContact OG-O 3.16Å; S795-I818 WeakPolarHBondContact O-CA 3.37Å; S795-V819 PolarHBondContact O-N 2.79Å
796N98Very high97.1Very high7 Ų749 Ų494%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-72123.9168.7-177.3-26.9000109.9M779 I780 Q784 I785 L798 A799 Q824M779-N796 HydrophobicContact CE-CB 4.2Å; I780-N796 HydrophobicContact CD1-CB 4.2Å; Q784-N796 WeakPolarHBondContact O-CB 3.46Å; Q784-N796 PolarHBondContact O-ND2 3.03Å; I785-N796 WeakPolarHBondContact O-CB 3.27Å; I785-N796 PolarHBondContact O-N 3.36Å; N796-L798 PolarHBondContact O-N 3.11Å; N796-L798 VanDerWaalsContact O-N 3.1Å; N796-L798 PolarHBondContact OD1-N 3Å; N796-L798 VanDerWaalsContact OD1-N 3.07Å; N796-A799 HydrophobicContact CB-CB 4.48Å; N796-A799 PolarHBondContact O-N 3.43Å; N796-Q824 PolarHBondContact OD1-NE2 3.36Å
797G95.9Very high97.1Very high0 Ų045.2 Ų45.20%026%0.258CS..G310 helixtrans-58.7-22.5-177.100000116.3S795 A799 T800 I818 V819 R903S795-G797 PolarHBondContact O-N 3.4Å; G797-A799 VanDerWaalsContact C-N 3.3Å; G797-T800 PolarHBondContact O-OG1 3.39Å; G797-I818 VanDerWaalsContact CA-CG2 3.4Å; G797-V819 PolarHBondContact N-O 3.02Å; G797-R903 PolarHBondContact O-NH2 2.93Å
798L96.9Very high97.2Very high74 Ų7443.7 Ų43.739%0.38725%0.25SS..G310 helixtrans-77.4-14.1175.1-62.9-179.7000113.3N796 Q824 Y825N796-L798 PolarHBondContact O-N 3.11Å; N796-L798 VanDerWaalsContact O-N 3.1Å; N796-L798 PolarHBondContact OD1-N 3Å; N796-L798 VanDerWaalsContact OD1-N 3.07Å; L798-Q824 HydrophobicContact CD1-CB 3.95Å; L798-Q824 HydrophobicContact CD1-CG 3.97Å; L798-Q824 HydrophobicContact CG-CB 4.3Å; L798-Q824 HydrophobicContact CG-CG 4.24Å; L798-Y825 HydrophobicContact CD2-CE1 3.77Å
799A97.4Very high97.1Very high6 Ų640 Ų405%0.0523%0.228CC..G310 helixtrans-104.67.8-175.600000113.2I785 N796 G797 T801 Q802 I803I785-A799 HydrophobicContact CB-CB 4.22Å; I785-A799 HydrophobicContact CG1-CB 4.28Å; I785-A799 HydrophobicContact CG2-CB 3.89Å; N796-A799 HydrophobicContact CB-CB 4.48Å; N796-A799 PolarHBondContact O-N 3.43Å; G797-A799 VanDerWaalsContact C-N 3.3Å; A799-T801 VanDerWaalsContact C-N 3.27Å; A799-T801 PolarHBondContact O-N 3.29Å; A799-Q802 WeakPolarHBondContact O-CB 3.38Å; A799-Q802 PolarHBondContact O-N 3.42Å; A799-I803 PolarHBondContact O-N 2.98Å; A799-I803 VanDerWaalsContact O-N 3.15Å
800T97.5Very high97.2Very high6 Ų639.4 Ų39.44%0.03723%0.226CC..Hα-helixtrans-57.3-38.3-174.2-46.20000112.5G797 Q802 I803 N804 A808 R903G797-T800 PolarHBondContact O-OG1 3.39Å; T800-Q802 VanDerWaalsContact C-N 3.28Å; T800-Q802 PolarHBondContact O-N 3.24Å; T800-I803 PolarHBondContact O-N 2.93Å; T800-N804 CarbonylContact O-C 3.33Å; T800-N804 VanDerWaalsContact O-C 3.29Å; T800-N804 PolarHBondContact O-N 3.21Å; T800-N804 VanDerWaalsContact O-O 3.08Å; T800-A808 HydrophobicContact CG2-CB 3.96Å; T800-R903 PolarHBondContact OG1-NH2 3.29Å
801T96.4Very high97.4Very high58 Ų5836.6 Ų36.636%0.35621%0.21SC..Hα-helixtrans-64.2-31176.549.90000113.4A799 A808 P897A799-T801 VanDerWaalsContact C-N 3.27Å; A799-T801 PolarHBondContact O-N 3.29Å; T801-A808 HydrophobicContact CG2-CB 3.58Å; T801-P897 HydrophobicContact CG2-CB 4.42Å; T801-P897 HydrophobicContact CG2-CG 3.54Å
802Q96.8Very high97.5Very high136 Ų13636.7 Ų36.764%0.63619%0.192SC*.Hα-helixtrans-78-27.3176.7-59.3176.846.300111.9A799 T800A799-Q802 WeakPolarHBondContact O-CB 3.38Å; A799-Q802 PolarHBondContact O-N 3.42Å; T800-Q802 VanDerWaalsContact C-N 3.28Å; T800-Q802 PolarHBondContact O-N 3.24Å
803I97Very high97.5Very high53 Ų5336.8 Ų36.827%0.27220%0.196SC..Hα-helixtrans-83.2-54.5178.3-62.2170.6000110.3I785 Q786 A799 T800 T816I785-I803 HydrophobicContact CG2-CD1 3.88Å; I785-I803 HydrophobicContact CG2-CG1 3.63Å; Q786-I803 HydrophobicContact CB-CD1 4.38Å; A799-I803 PolarHBondContact O-N 2.98Å; A799-I803 VanDerWaalsContact O-N 3.15Å; T800-I803 PolarHBondContact O-N 2.93Å; I803-T816 HydrophobicContact CG2-CG2 4.33Å
804N97.3Very high97.5Very high51 Ų5134.5 Ų34.527%0.27318%0.18SC..  trans-155.4105.4176.6179.2-7.5000109.8T800 K806 A807 A808 E812T800-N804 CarbonylContact O-C 3.33Å; T800-N804 VanDerWaalsContact O-C 3.29Å; T800-N804 PolarHBondContact O-N 3.21Å; T800-N804 VanDerWaalsContact O-O 3.08Å; N804-K806 PolarHBondContact O-N 2.98Å; N804-K806 WeakPolarHBondContact OD1-CB 3.36Å; N804-K806 PolarHBondContact OD1-N 3.31Å; N804-A807 HydrophobicContact CB-CB 3.86Å; N804-A807 WeakPolarHBondContact O-CB 3.37Å; N804-A807 PolarHBondContact O-N 3.48Å; N804-A807 PolarHBondContact OD1-N 3.26Å; N804-A807 VanDerWaalsContact OD1-N 3.12Å; N804-A808 PolarHBondContact O-N 3.08Å; N804-A808 VanDerWaalsContact O-N 3.08Å; N804-E812 PolarHBondContact ND2-OE2 3.43Å
805N97.4Very high97.4Very high88 Ų8844.4 Ų44.447%0.47122%0.217SC..Hα-helixtrans-63.1-37.3178.6-17468.2000113.4A807 A808 T809N805-A807 VanDerWaalsContact C-N 3.26Å; N805-A807 PolarHBondContact O-N 3.27Å; N805-A808 WeakPolarHBondContact O-CB 3.39Å; N805-A808 PolarHBondContact O-N 3.5Å; N805-T809 WeakPolarHBondContact O-CG2 3.35Å; N805-T809 PolarHBondContact O-N 3.5Å; N805-T809 PolarHBondContact O-OG1 3Å
806K97.7Very high97.4Very high67 Ų6745.5 Ų45.529%0.29122%0.224SC..Hα-helixtrans-64.1-34.5176.5-73.4-174.5169.3-78.20111.7N590 N804 T809 G810 E811 E812N590-K806 PolarHBondContact OD1-NZ 3.33Å; N804-K806 PolarHBondContact O-N 2.98Å; N804-K806 WeakPolarHBondContact OD1-CB 3.36Å; N804-K806 PolarHBondContact OD1-N 3.31Å; K806-T809 WeakPolarHBondContact CA-OG1 3.49Å; K806-T809 PolarHBondContact O-OG1 3.1Å; K806-G810 PolarHBondContact O-N 3.14Å; K806-E811 HydrophobicContact CB-CB 4.03Å; K806-E811 HydrophobicContact CG-CB 4.39Å; K806-E811 IonicContact NZ-OE2 3.25Å; K806-E811 PolarHBondContact NZ-OE2 2.86Å; K806-E811 WeakPolarHBondContact O-CB 3.3Å; K806-E811 PolarHBondContact O-N 2.97Å; K806-E812 HydrophobicContact CB-CB 4.31Å; K806-E812 HydrophobicContact CB-CG 3.94Å; K806-E812 PolarHBondContact O-N 3.4Å
807A97.9Very high97.4Very high2 Ų245.2 Ų45.22%0.01722%0.222CC..Hα-helixtrans-67.7-37.8171.100000112.5N804 N805 G810 E812 P814 E899N804-A807 HydrophobicContact CB-CB 3.86Å; N804-A807 WeakPolarHBondContact O-CB 3.37Å; N804-A807 PolarHBondContact O-N 3.48Å; N804-A807 PolarHBondContact OD1-N 3.26Å; N804-A807 VanDerWaalsContact OD1-N 3.12Å; N805-A807 VanDerWaalsContact C-N 3.26Å; N805-A807 PolarHBondContact O-N 3.27Å; A807-G810 PolarHBondContact O-N 3.1Å; A807-E812 WeakPolarHBondContact CA-O 3.42Å; A807-E812 HydrophobicContact CB-CB 4.49Å; A807-P814 HydrophobicContact CB-CB 4.26Å; A807-P814 HydrophobicContact CB-CG 4.05Å; A807-E899 WeakPolarHBondContact O-CB 3.42Å
808A98Very high97.5Very high1 Ų145.2 Ų45.21%0.00822%0.222CC..Hα-helixtrans-69-35.1178.100000113.4T800 T801 N804 N805 G810 P897 K898 E899T800-A808 HydrophobicContact CG2-CB 3.96Å; T801-A808 HydrophobicContact CG2-CB 3.58Å; N804-A808 PolarHBondContact O-N 3.08Å; N804-A808 VanDerWaalsContact O-N 3.08Å; N805-A808 WeakPolarHBondContact O-CB 3.39Å; N805-A808 PolarHBondContact O-N 3.5Å; A808-G810 VanDerWaalsContact C-N 3.29Å; A808-P897 HydrophobicContact CB-CB 3.95Å; A808-P897 HydrophobicContact CB-CG 4.33Å; A808-P897 VanDerWaalsContact O-CB 3.23Å; A808-P897 WeakPolarHBondContact O-CB 3.48Å; A808-K898 PolarHBondContact O-N 3.47Å; A808-E899 VanDerWaalsContact O-CB 3.32Å; A808-E899 WeakPolarHBondContact O-CB 3.4Å; A808-E899 PolarHBondContact O-N 2.89Å
809T97.6Very high97.6Very high22 Ų2241.7 Ų41.714%0.13520%0.204CC..Hα-helixtrans-75.2-19.3175.2560000112.6N805 K806 E811N805-T809 WeakPolarHBondContact O-CG2 3.35Å; N805-T809 PolarHBondContact O-N 3.5Å; N805-T809 PolarHBondContact O-OG1 3Å; K806-T809 WeakPolarHBondContact CA-OG1 3.49Å; K806-T809 PolarHBondContact O-OG1 3.1Å; T809-E811 WeakPolarHBondContact OG1-CG 3.41Å; T809-E811 PolarHBondContact OG1-OE1 2.93Å
810G97.9Very high97.7Very high4 Ų441.4 Ų41.44%0.04120%0.202CC..THydrogen-bonded Turntrans88.97.7-174.900000114.1F591 K806 A807 A808 E812F591-G810 WeakPolarHBondContact CE1-O 3.44Å; K806-G810 PolarHBondContact O-N 3.14Å; A807-G810 PolarHBondContact O-N 3.1Å; A808-G810 VanDerWaalsContact C-N 3.29Å; G810-E812 PolarHBondContact O-N 3.27Å
811E98.2Very high97.7Very high31 Ų3141.3 Ų41.315%0.14520%0.201CC..SBendtrans-67.2-25.4170.6-74.7175.6-96.900112.4T589 N590 F591 K806 T809T589-E811 WeakPolarHBondContact CA-OE2 3.46Å; N590-E811 HydrophobicContact CB-CB 3.78Å; N590-E811 HydrophobicContact CB-CG 3.96Å; N590-E811 PolarHBondContact N-OE2 3.07Å; N590-E811 PolarHBondContact ND2-O 2.91Å; N590-E811 VanDerWaalsContact ND2-O 3.14Å; N590-E811 PolarHBondContact OD1-OE2 3.35Å; F591-E811 HydrophobicContact CD1-CG 4.37Å; F591-E811 HydrophobicContact CD2-CG 4.14Å; F591-E811 HydrophobicContact CE1-CB 4.42Å; F591-E811 HydrophobicContact CE1-CG 4.03Å; F591-E811 HydrophobicContact CE2-CG 3.75Å; F591-E811 HydrophobicContact CG-CG 4.46Å; F591-E811 HydrophobicContact CZ-CB 4.37Å; F591-E811 HydrophobicContact CZ-CG 3.71Å; K806-E811 HydrophobicContact CB-CB 4.03Å; K806-E811 HydrophobicContact CG-CB 4.39Å; K806-E811 IonicContact NZ-OE2 3.25Å; K806-E811 PolarHBondContact NZ-OE2 2.86Å; K806-E811 WeakPolarHBondContact O-CB 3.3Å; K806-E811 PolarHBondContact O-N 2.97Å; T809-E811 WeakPolarHBondContact OG1-CG 3.41Å; T809-E811 PolarHBondContact OG1-OE1 2.93Å
812E98Very high97.7Very high71 Ų7138.5 Ų38.533%0.33218%0.184SC..SBendtrans-132.5156.3173.8-70178.5-171.300110.3N804 K806 A807 G810N804-E812 PolarHBondContact ND2-OE2 3.43Å; K806-E812 HydrophobicContact CB-CB 4.31Å; K806-E812 HydrophobicContact CB-CG 3.94Å; K806-E812 PolarHBondContact O-N 3.4Å; A807-E812 WeakPolarHBondContact CA-O 3.42Å; A807-E812 HydrophobicContact CB-CB 4.49Å; G810-E812 PolarHBondContact O-N 3.27Å
813V98.2Very high97.7Very high44 Ų4434.7 Ų34.727%0.26717%0.172SC..  trans-81.5128.9170.8-175.60000109.1P703 H704 I729 R815P703-V813 HydrophobicContact CG-CG1 3.94Å; P703-V813 HydrophobicContact CG-CG2 3.71Å; H704-V813 HydrophobicContact CB-CG1 4.05Å; I729-V813 HydrophobicContact CD1-CG1 3.82Å; I729-V813 HydrophobicContact CG1-CG1 3.84Å; V813-R815 PolarHBondContact O-N 3.36Å
814P97.8Very high97.8Very high3 Ų333.7 Ų33.72%0.01917%0.166CC..  trans-57.2128.5175-21.429.9000112.1A807 I818 E899A807-P814 HydrophobicContact CB-CB 4.26Å; A807-P814 HydrophobicContact CB-CG 4.05Å; P814-I818 HydrophobicContact CB-CD1 3.64Å; P814-I818 HydrophobicContact CB-CG1 4.41Å; P814-I818 HydrophobicContact CG-CD1 3.84Å; P814-E899 HydrophobicContact CG-CG 3.91Å
815R96.5Very high97.8Very high208 Ų20832.3 Ų32.379%0.78516%0.157SC*.  trans-85.8-24.6178.6-62.6-172.9-174.5-172.32.1113.2V813V813-R815 PolarHBondContact O-N 3.36Å
816T97Very high97.7Very high23 Ų2330.8 Ų30.814%0.14116%0.163CC..SBendtrans-77.4161178.160.50000111.1S795 I803S795-T816 WeakPolarHBondContact OG-CB 3.17Å; S795-T816 PolarHBondContact OG-OG1 2.84Å; I803-T816 HydrophobicContact CG2-CG2 4.33Å
817I98.3Very high97.8Very high2 Ų228 Ų281%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-83.8114.7166.8-63173.6000107.5L726 N727 L731 F734 F792 S793 I794 S795L726-I817 HydrophobicContact CB-CG2 4.29Å; L726-I817 HydrophobicContact CD2-CG2 4.22Å; N727-I817 CarbonylContact O-C 3.46Å; N727-I817 WeakPolarHBondContact O-CA 3.47Å; L731-I817 HydrophobicContact CD1-CG2 4.25Å; F734-I817 HydrophobicContact CB-CD1 3.24Å; F734-I817 HydrophobicContact CD1-CD1 3.84Å; F734-I817 HydrophobicContact CD2-CD1 4.23Å; F734-I817 HydrophobicContact CG-CD1 3.51Å; F792-I817 HydrophobicContact CB-CD1 4.13Å; F792-I817 HydrophobicContact CD1-CD1 4.3Å; F792-I817 HydrophobicContact CG-CD1 4.38Å; S793-I817 PolarHBondContact O-N 3.14Å; I794-I817 CarbonylContact C-O 3.56Å; I794-I817 VanDerWaalsContact CA-O 3.32Å; I794-I817 WeakPolarHBondContact CA-O 3.38Å; I794-I817 HydrophobicContact CD1-CB 3.7Å; I794-I817 HydrophobicContact CD1-CD1 3.85Å; I794-I817 HydrophobicContact CD1-CG1 4.28Å; I794-I817 HydrophobicContact CD1-CG2 4.02Å; S795-I817 PolarHBondContact N-O 3.44Å; S795-I817 PolarHBondContact OG-O 3.16Å
818I98.6Very high97.7Very high0 Ų029.4 Ų29.40%016%0.16CC..EExtended strand (participates in β ladder)trans-92.6129.5-176.9-53175.9000110.1L726 N727 S795 G797 P814L726-I818 WeakPolarHBondContact CA-O 3.43Å; N727-I818 PolarHBondContact N-O 3.18Å; N727-I818 PolarHBondContact O-N 3.25Å; S795-I818 WeakPolarHBondContact O-CA 3.37Å; G797-I818 VanDerWaalsContact CA-CG2 3.4Å; P814-I818 HydrophobicContact CB-CD1 3.64Å; P814-I818 HydrophobicContact CB-CG1 4.41Å; P814-I818 HydrophobicContact CG-CD1 3.84Å
819V98.6Very high97.5Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-101.9128.5173.1-174.10000109.4I724 V725 L726 V776 M779 I780 I794 S795 G797 T821I724-V819 HydrophobicContact CG2-CG1 4.25Å; V725-V819 WeakPolarHBondContact O-CA 3.08Å; L726-V819 HydrophobicContact CD2-CG2 3.81Å; L726-V819 HydrophobicContact CG-CG2 3.99Å; V776-V819 HydrophobicContact CG1-CB 4.23Å; V776-V819 HydrophobicContact CG1-CG1 3.67Å; V776-V819 HydrophobicContact CG1-CG2 3.74Å; M779-V819 HydrophobicContact CE-CB 4.33Å; M779-V819 HydrophobicContact CE-CG2 4.32Å; I780-V819 HydrophobicContact CD1-CB 4.12Å; I780-V819 HydrophobicContact CD1-CG1 3.99Å; I780-V819 HydrophobicContact CG1-CG1 4.09Å; I794-V819 HydrophobicContact CG2-CG2 3.34Å; S795-V819 PolarHBondContact O-N 2.79Å; G797-V819 PolarHBondContact N-O 3.02Å; V819-T821 HydrophobicContact CG1-CG2 4.18Å
820T98.5Very high97.2Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-130.5127.6-179.3-43.20000109.3V725 Q824 Y825 R903 L907V725-T820 PolarHBondContact N-O 3Å; V725-T820 PolarHBondContact O-N 3.34Å; T820-Q824 VanDerWaalsContact CA-OE1 3.3Å; T820-Y825 HydrophobicContact CG2-CE2 4.16Å; T820-R903 HydrophobicContact CG2-CG 4.48Å; T820-R903 WeakPolarHBondContact OG1-CD 3.4Å; T820-R903 PolarHBondContact OG1-NH1 3.3Å; T820-L907 HydrophobicContact CG2-CD1 3.91Å; T820-L907 HydrophobicContact CG2-CD2 4.24Å; T820-L907 HydrophobicContact CG2-CG 4.15Å
821T98Very high97.1Very high3 Ų335.4 Ų35.42%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-129.2155.1-175.5750000111.6R723 I724 I780 V819 S823 Q824 Y825 L907R723-T821 CarbonylContact O-C 3.44Å; R723-T821 VanDerWaalsContact O-CA 3.27Å; R723-T821 WeakPolarHBondContact O-CA 3.2Å; I724-T821 HydrophobicContact CB-CG2 4.3Å; I724-T821 HydrophobicContact CG1-CG2 3.96Å; I724-T821 HydrophobicContact CG2-CG2 3.98Å; I780-T821 HydrophobicContact CD1-CG2 4.47Å; I780-T821 HydrophobicContact CG1-CG2 4.17Å; I780-T821 HydrophobicContact CG2-CG2 4.06Å; V819-T821 HydrophobicContact CG1-CG2 4.18Å; T821-S823 VanDerWaalsContact C-N 3.33Å; T821-S823 PolarHBondContact OG1-OG 2.97Å; T821-Q824 WeakPolarHBondContact O-CB 3.48Å; T821-Q824 PolarHBondContact O-N 3.4Å; T821-Q824 PolarHBondContact O-OE1 3.3Å; T821-Q824 WeakPolarHBondContact OG1-CG 3.33Å; T821-Q824 PolarHBondContact OG1-N 3.05Å; T821-Y825 WeakPolarHBondContact O-CD2 3.34Å; T821-L907 VanDerWaalsContact O-CD1 3.22Å; T821-L907 WeakPolarHBondContact O-CD1 3.45Å
822R97.6Very high97.1Very high0 Ų034.6 Ų34.60%019%0.187CC..SBendtrans-62.5-40.3170.3-81.3-172.9177.1-162.1-0.5112.4N722 R723 Q824 Y825 G826 L827 P828 E829 A831 V833 L907 D909N722-R822 PolarHBondContact ND2-NH2 3.03Å; R723-R822 VanDerWaalsContact CZ-CZ 3.45Å; R723-R822 VanDerWaalsContact CZ-NH1 3.26Å; R723-R822 PolarHBondContact O-N 3.46Å; R822-Q824 PolarHBondContact O-N 3.47Å; R822-Y825 PolarHBondContact O-N 2.93Å; R822-G826 PolarHBondContact O-N 3.36Å; R822-L827 HydrophobicContact CB-CB 3.78Å; R822-L827 HydrophobicContact CG-CB 3.99Å; R822-L827 HydrophobicContact CG-CD1 4.19Å; R822-L827 PolarHBondContact O-N 3.33Å; R822-P828 WeakPolarHBondContact CD-O 3.36Å; R822-P828 PolarHBondContact NH1-O 2.9Å; R822-E829 WeakPolarHBondContact CB-OE1 3.35Å; R822-A831 PolarHBondContact NH1-O 2.96Å; R822-V833 VanDerWaalsContact CZ-CG2 3.42Å; R822-V833 VanDerWaalsContact NH1-CG2 3.3Å; R822-L907 HydrophobicContact CG-CB 4.21Å; R822-L907 PolarHBondContact NE-O 2.99Å; R822-L907 PolarHBondContact NH2-O 3.22Å; R822-D909 IonicContact CZ-OD2 3.91Å; R822-D909 IonicContact NH1-OD2 2.87Å; R822-D909 VanDerWaalsContact NH2-CG 3.31Å; R822-D909 IonicContact NH2-OD1 3.58Å; R822-D909 PolarHBondContact NH2-OD1 3.02Å; R822-D909 IonicContact NH2-OD2 2.63Å; R822-D909 PolarHBondContact NH2-OD2 3.09Å
823S96.4Very high97.2Very high56 Ų5631.2 Ų31.239%0.39217%0.171SC..G310 helixtrans-54.5-34.6177.165.90000114.5T821 Y825 G826 E829T821-S823 VanDerWaalsContact C-N 3.33Å; T821-S823 PolarHBondContact OG1-OG 2.97Å; S823-Y825 PolarHBondContact O-N 3.33Å; S823-Y825 VanDerWaalsContact O-N 3.14Å; S823-G826 PolarHBondContact O-N 3.26Å; S823-G826 VanDerWaalsContact O-N 3.14Å; S823-E829 PolarHBondContact N-OE1 2.88Å; S823-E829 VanDerWaalsContact N-OE1 3.1Å
824Q97.4Very high97.2Very high32 Ų3229.1 Ų29.115%0.1516%0.158CC..G310 helixtrans-57-28.6175.7-79.1168.4-36.400113.6I780 N796 L798 T820 T821 R822I780-Q824 HydrophobicContact CG2-CG 3.83Å; N796-Q824 PolarHBondContact OD1-NE2 3.36Å; L798-Q824 HydrophobicContact CD1-CB 3.95Å; L798-Q824 HydrophobicContact CD1-CG 3.97Å; L798-Q824 HydrophobicContact CG-CB 4.3Å; L798-Q824 HydrophobicContact CG-CG 4.24Å; T820-Q824 VanDerWaalsContact CA-OE1 3.3Å; T821-Q824 WeakPolarHBondContact O-CB 3.48Å; T821-Q824 PolarHBondContact O-N 3.4Å; T821-Q824 PolarHBondContact O-OE1 3.3Å; T821-Q824 WeakPolarHBondContact OG1-CG 3.33Å; T821-Q824 PolarHBondContact OG1-N 3.05Å; R822-Q824 PolarHBondContact O-N 3.47Å
825Y97.9Very high97.3Very high21 Ų2129 Ų298%0.08216%0.157CC..G310 helixtrans-110.910.7-177.3-55.6-79.5000112.6L798 T820 T821 R822 S823 L827 W864 E900 R904 L907L798-Y825 HydrophobicContact CD2-CE1 3.77Å; T820-Y825 HydrophobicContact CG2-CE2 4.16Å; T821-Y825 WeakPolarHBondContact O-CD2 3.34Å; R822-Y825 PolarHBondContact O-N 2.93Å; S823-Y825 PolarHBondContact O-N 3.33Å; S823-Y825 VanDerWaalsContact O-N 3.14Å; Y825-L827 PolarHBondContact O-N 3.21Å; Y825-W864 HydrophobicContact CD1-CH2 4.37Å; Y825-W864 AromaticContact CD1-CZ2 3.76Å; Y825-W864 HydrophobicContact CD1-CZ2 3.76Å; Y825-W864 AromaticContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CZ2 4.04Å; Y825-W864 HydrophobicContact CE1-CZ2 4.32Å; Y825-W864 HydrophobicContact CE2-CH2 4.26Å; Y825-W864 AromaticContact CG-CH2 3.96Å; Y825-W864 HydrophobicContact CG-CH2 3.96Å; Y825-W864 AromaticContact CG-CZ2 3.59Å; Y825-W864 HydrophobicContact CG-CZ2 3.59Å; Y825-E900 WeakPolarHBondContact OH-CG 3.42Å; Y825-E900 PolarHBondContact OH-OE1 2.96Å; Y825-R904 HydrophobicContact CE2-CB 4.05Å; Y825-L907 HydrophobicContact CD2-CD1 3.63Å; Y825-L907 HydrophobicContact CE2-CD1 3.65Å
826G96.6Very high97.4Very high57 Ų5719.1 Ų19.159%0.58812%0.12SC*.THydrogen-bonded Turntrans65.623.5-176.600000113.8R822 S823R822-G826 PolarHBondContact O-N 3.36Å; S823-G826 PolarHBondContact O-N 3.26Å; S823-G826 VanDerWaalsContact O-N 3.14Å
827L98.1Very high97.4Very high7 Ų718.4 Ų18.44%0.03712%0.115CC..  trans-82.3143.4179.8-64169.5000110.9R822 Y825 V833 W864 I891R822-L827 HydrophobicContact CB-CB 3.78Å; R822-L827 HydrophobicContact CG-CB 3.99Å; R822-L827 HydrophobicContact CG-CD1 4.19Å; R822-L827 PolarHBondContact O-N 3.33Å; Y825-L827 PolarHBondContact O-N 3.21Å; L827-V833 HydrophobicContact CD1-CG1 4.45Å; L827-V833 HydrophobicContact CD2-CG1 4.1Å; L827-V833 HydrophobicContact CD2-CG2 4.49Å; L827-W864 HydrophobicContact CD1-CD2 3.84Å; L827-W864 HydrophobicContact CD1-CE3 3.53Å; L827-W864 HydrophobicContact CD1-CH2 3.87Å; L827-W864 HydrophobicContact CD1-CZ2 4.16Å; L827-W864 HydrophobicContact CD1-CZ3 3.56Å; L827-W864 HydrophobicContact CD2-CB 4.11Å; L827-W864 HydrophobicContact CD2-CD2 3.96Å; L827-W864 HydrophobicContact CD2-CE3 4.33Å; L827-W864 HydrophobicContact CD2-CG 3.87Å; L827-W864 HydrophobicContact CG-CD2 4.43Å; L827-I891 HydrophobicContact CD2-CB 4.27Å; L827-I891 HydrophobicContact CD2-CD1 3.8Å; L827-I891 HydrophobicContact CD2-CG2 4.09Å
828P96.7Very high97.4Very high33 Ų3318.5 Ų18.521%0.21412%0.116CC..  trans-67.7133.5175.628.3-35.2000111.6R822 A831 V833 V862R822-P828 WeakPolarHBondContact CD-O 3.36Å; R822-P828 PolarHBondContact NH1-O 2.9Å; P828-A831 HydrophobicContact CB-CB 3.94Å; P828-A831 HydrophobicContact CG-CB 3.75Å; P828-V833 HydrophobicContact CG-CG2 4.44Å; P828-V862 HydrophobicContact CG-CB 4.49Å; P828-V862 HydrophobicContact CG-CG1 3.94Å; P828-V862 HydrophobicContact CG-CG2 3.68Å
829E93.3Very high97.3Very high35 Ų3522.5 Ų22.516%0.16414%0.135CC..THydrogen-bonded Turntrans-75.9-25179.9-60.3-66.1168.400112.5F713 R723 R822 S823F713-E829 HydrophobicContact CE1-CB 4.36Å; F713-E829 HydrophobicContact CZ-CB 3.78Å; F713-E829 HydrophobicContact CZ-CG 4.11Å; R723-E829 WeakPolarHBondContact CB-OE2 3.2Å; R723-E829 VanDerWaalsContact CG-OE2 3.24Å; R723-E829 WeakPolarHBondContact CG-OE2 3.48Å; R723-E829 PolarHBondContact NE-O 3.27Å; R723-E829 PolarHBondContact NH2-O 3.45Å; R822-E829 WeakPolarHBondContact CB-OE1 3.35Å; S823-E829 PolarHBondContact N-OE1 2.88Å; S823-E829 VanDerWaalsContact N-OE1 3.1Å
830D92.2Very high97.3Very high110 Ų11022.6 Ų22.659%0.58814%0.135SC*.THydrogen-bonded Turntrans-114.317.3-17158.5-10.9000114.4
831A95.9Very high97.3Very high8 Ų823.9 Ų23.97%0.06614%0.14CC..SBendtrans-124163.9174.600000112.8R723 R822 P828 N860R723-A831 PolarHBondContact NH2-O 2.94Å; R822-A831 PolarHBondContact NH1-O 2.96Å; P828-A831 HydrophobicContact CB-CB 3.94Å; P828-A831 HydrophobicContact CG-CB 3.75Å; A831-N860 HydrophobicContact CB-CB 4.04Å; A831-N860 WeakPolarHBondContact CB-O 3.32Å
832I98.4Very high97.3Very high13 Ų1324.5 Ų24.57%0.06714%0.143CC..  trans-72.3130.5167.7-68.3-64000109.7Y834 V858 S861 V862 D909 G974 L977 L980I832-Y834 HydrophobicContact CG2-CD2 4Å; I832-Y834 HydrophobicContact CG2-CE1 4.5Å; I832-Y834 HydrophobicContact CG2-CE2 3.66Å; I832-V858 HydrophobicContact CB-CG1 4.47Å; I832-S861 CarbonylContact O-C 3.58Å; I832-S861 WeakPolarHBondContact O-CA 3.41Å; I832-V862 PolarHBondContact O-N 2.91Å; I832-D909 VanDerWaalsContact CA-OD2 3.31Å; I832-D909 WeakPolarHBondContact CA-OD2 3.48Å; I832-D909 HydrophobicContact CD1-CB 4.17Å; I832-D909 HydrophobicContact CG2-CB 4.24Å; I832-G974 WeakPolarHBondContact CG1-O 3.31Å; I832-L977 HydrophobicContact CD1-CD2 3.94Å; I832-L980 HydrophobicContact CD1-CD2 3.73Å
833V98.9Very high97.4Very high0 Ų024.7 Ų24.70%014%0.143CC..EExtended strand (participates in β ladder)trans-110105.4175.51780000108R822 L827 P828 V862 W864 A908 D909 V910R822-V833 VanDerWaalsContact CZ-CG2 3.42Å; R822-V833 VanDerWaalsContact NH1-CG2 3.3Å; L827-V833 HydrophobicContact CD1-CG1 4.45Å; L827-V833 HydrophobicContact CD2-CG1 4.1Å; L827-V833 HydrophobicContact CD2-CG2 4.49Å; P828-V833 HydrophobicContact CG-CG2 4.44Å; V833-V862 HydrophobicContact CB-CG2 4.26Å; V833-V862 HydrophobicContact CG1-CG2 4.31Å; V833-V862 HydrophobicContact CG2-CG2 3.7Å; V833-W864 HydrophobicContact CG1-CB 3.99Å; V833-W864 HydrophobicContact CG1-CE3 4.28Å; V833-A908 HydrophobicContact CG1-CB 4.33Å; V833-D909 PolarHBondContact N-OD2 2.99Å; V833-D909 PolarHBondContact O-N 3.07Å; V833-V910 PolarHBondContact O-N 3.2Å
834Y98.9Very high97.4Very high0 Ų023 Ų230%013%0.13CC..EExtended strand (participates in β ladder)trans-77.3146.3161.9-67.5-76.1000109.2I832 I854 L855 V858 V862 L863 W864 V910 L912 A970 G974I832-Y834 HydrophobicContact CG2-CD2 4Å; I832-Y834 HydrophobicContact CG2-CE1 4.5Å; I832-Y834 HydrophobicContact CG2-CE2 3.66Å; Y834-I854 HydrophobicContact CD2-CG2 4.39Å; Y834-I854 HydrophobicContact CE1-CG2 4.29Å; Y834-I854 HydrophobicContact CE2-CG2 3.76Å; Y834-L855 HydrophobicContact CD2-CD2 4.02Å; Y834-V858 HydrophobicContact CE2-CG2 4.41Å; Y834-V862 PolarHBondContact N-O 3.4Å; Y834-L863 CarbonylContact O-C 3.55Å; Y834-L863 WeakPolarHBondContact O-CA 3.45Å; Y834-W864 PolarHBondContact O-N 3.49Å; Y834-V910 CarbonylContact C-O 3.54Å; Y834-V910 VanDerWaalsContact CA-O 3.23Å; Y834-V910 WeakPolarHBondContact CA-O 3.32Å; Y834-V910 HydrophobicContact CD1-CB 3.7Å; Y834-V910 HydrophobicContact CD1-CG1 4Å; Y834-V910 HydrophobicContact CE1-CB 3.82Å; Y834-V910 HydrophobicContact CE1-CG1 4.02Å; Y834-V910 HydrophobicContact CE1-CG2 4.2Å; Y834-L912 HydrophobicContact CD1-CD1 3.87Å; Y834-L912 HydrophobicContact CD1-CD2 3.62Å; Y834-L912 HydrophobicContact CD1-CG 3.68Å; Y834-L912 HydrophobicContact CE1-CD2 4.03Å; Y834-L912 HydrophobicContact CG-CD1 3.88Å; Y834-L912 HydrophobicContact CG-CD2 4.46Å; Y834-L912 HydrophobicContact CG-CG 4.11Å; Y834-A970 HydrophobicContact CE1-CB 4.27Å; Y834-A970 PolarHBondContact OH-O 3.02Å; Y834-G974 VanDerWaalsContact OH-CA 3.27Å; Y834-G974 WeakPolarHBondContact OH-CA 3.45Å; Y834-G974 PolarHBondContact OH-N 2.96Å
835C98.9Very high97.5Very high0 Ų023 Ų230%013%0.133CC..EExtended strand (participates in β ladder)trans-133.3155.5173.970.60000112.8F837 W864 A908 V910 C911 L912C835-F837 HydrophobicContact CB-CD1 4.37Å; C835-F837 HydrophobicContact CB-CE1 3.74Å; C835-F837 HydrophobicContact CB-CE2 4.47Å; C835-F837 HydrophobicContact CB-CZ 3.8Å; C835-W864 WeakPolarHBondContact CA-O 3.37Å; C835-W864 HydrophobicContact CB-CB 4.14Å; C835-W864 HydrophobicContact CB-CE3 4.46Å; C835-A908 HydrophobicContact CB-CB 3.76Å; C835-A908 WeakPolarHBondContact SG-CB 3.05Å; C835-V910 PolarHBondContact N-O 3.09Å; C835-C911 CarbonylContact O-C 3.42Å; C835-C911 VanDerWaalsContact O-CA 3.3Å; C835-C911 WeakPolarHBondContact O-CA 3.43Å; C835-L912 PolarHBondContact O-N 3.27Å
836N98.8Very high97.5Very high2 Ų223.8 Ų23.81%0.01114%0.141CC..  trans-147.6125.2159.1-177.3-52.7000107.8N838 W851 W864 L865 L912N836-N838 PolarHBondContact ND2-ND2 3.39Å; N836-N838 VanDerWaalsContact OD1-CB 3.27Å; N836-N838 WeakPolarHBondContact OD1-CB 3.49Å; N836-N838 PolarHBondContact OD1-N 3.03Å; N836-N838 PolarHBondContact OD1-ND2 3.41Å; N836-W851 HydrophobicContact CB-CH2 3.83Å; N836-W851 HydrophobicContact CB-CZ2 4.27Å; N836-W864 PolarHBondContact N-O 3.11Å; N836-L865 HydrophobicContact CB-CD2 4Å; N836-L912 WeakPolarHBondContact CB-O 3.49Å; N836-L912 PolarHBondContact ND2-O 3.41Å
837F98.4Very high97.6Very high7 Ų721.2 Ų21.23%0.03111%0.114CC..  trans-112.621.2-174.4-59.4-28.4000114.4C835 W864 L866 H901 R904 T922C835-F837 HydrophobicContact CB-CD1 4.37Å; C835-F837 HydrophobicContact CB-CE1 3.74Å; C835-F837 HydrophobicContact CB-CE2 4.47Å; C835-F837 HydrophobicContact CB-CZ 3.8Å; F837-W864 HydrophobicContact CE1-CB 4.47Å; F837-W864 AromaticContact CE1-CD2 3.63Å; F837-W864 HydrophobicContact CE1-CD2 3.63Å; F837-W864 AromaticContact CE1-CE2 4Å; F837-W864 AromaticContact CE1-CE3 3.85Å; F837-W864 HydrophobicContact CE1-CE3 3.85Å; F837-W864 AromaticContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CZ3 4.37Å; F837-W864 AromaticContact CZ-CD2 3.73Å; F837-W864 HydrophobicContact CZ-CD2 3.73Å; F837-W864 AromaticContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CE3 3.45Å; F837-W864 VanDerWaalsContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CG 4.45Å; F837-W864 HydrophobicContact CZ-CH2 4.06Å; F837-W864 HydrophobicContact CZ-CZ2 4.29Å; F837-W864 AromaticContact CZ-CZ3 3.62Å; F837-W864 HydrophobicContact CZ-CZ3 3.62Å; F837-L866 HydrophobicContact CB-CD1 3.74Å; F837-L866 HydrophobicContact CB-CG 4.03Å; F837-L866 HydrophobicContact CD1-CD1 4.29Å; F837-L866 HydrophobicContact CD1-CD2 3.6Å; F837-L866 HydrophobicContact CD1-CG 3.76Å; F837-L866 HydrophobicContact CE1-CD2 4.02Å; F837-L866 HydrophobicContact CG-CD1 4.22Å; F837-L866 HydrophobicContact CG-CD2 4.26Å; F837-L866 HydrophobicContact CG-CG 4.19Å; F837-H901 VanDerWaalsContact CB-CE1 3.45Å; F837-H901 WeakPolarHBondContact CB-CE1 3.39Å; F837-R904 HydrophobicContact CE2-CG 4.31Å; F837-T922 HydrophobicContact CB-CG2 3.93Å
838N97.5Very high97.6Very high5 Ų520.9 Ų20.93%0.02711%0.113CC..SBendtrans-73.3166.4172.7-70.8-80.6000111.7N836 K842 G919 T922N836-N838 PolarHBondContact ND2-ND2 3.39Å; N836-N838 VanDerWaalsContact OD1-CB 3.27Å; N836-N838 WeakPolarHBondContact OD1-CB 3.49Å; N836-N838 PolarHBondContact OD1-N 3.03Å; N836-N838 PolarHBondContact OD1-ND2 3.41Å; N838-K842 HydrophobicContact CB-CB 4.45Å; N838-K842 HydrophobicContact CB-CD 3.79Å; N838-K842 HydrophobicContact CB-CG 4.37Å; N838-K842 PolarHBondContact OD1-NZ 2.97Å; N838-G919 WeakPolarHBondContact OD1-CA 3.41Å; N838-T922 PolarHBondContact OD1-OG1 2.98Å
839Q97.3Very high97.7Very high84 Ų8422.7 Ų22.739%0.39312%0.118SC..  trans-60144.4162-69.7-176.846.600110.5Y841 K842 F868Q839-Y841 HydrophobicContact CB-CD1 3.41Å; Q839-Y841 VanDerWaalsContact CB-CD1 3.41Å; Q839-Y841 HydrophobicContact CB-CE1 3.46Å; Q839-Y841 VanDerWaalsContact CB-CE1 3.46Å; Q839-Y841 HydrophobicContact CG-CD1 4.34Å; Q839-Y841 HydrophobicContact CG-CE1 4.1Å; Q839-Y841 PolarHBondContact O-N 3.26Å; Q839-Y841 VanDerWaalsContact O-N 3.16Å; Q839-K842 PolarHBondContact O-N 3.01Å; Q839-F868 HydrophobicContact CB-CD2 4.21Å; Q839-F868 HydrophobicContact CB-CE2 4.47Å; Q839-F868 HydrophobicContact CB-CG 4.38Å; Q839-F868 HydrophobicContact CG-CD1 3.92Å; Q839-F868 HydrophobicContact CG-CD2 3.43Å; Q839-F868 VanDerWaalsContact CG-CD2 3.43Å; Q839-F868 HydrophobicContact CG-CE1 3.8Å; Q839-F868 HydrophobicContact CG-CE2 3.28Å; Q839-F868 HydrophobicContact CG-CG 3.76Å; Q839-F868 HydrophobicContact CG-CZ 3.49Å; Q839-F868 VanDerWaalsContact CG-CZ 3.49Å
840L98.4Very high97.9Very high2 Ų221.3 Ų21.31%0.0111%0.112CC..G310 helixtrans-61.5-28.3-172.9-66.8-177.8000113.1C467 K842 I843 F868 P869 F892C467-L840 PolarHBondContact SG-O 3.21Å; L840-K842 PolarHBondContact O-N 3.43Å; L840-I843 HydrophobicContact CD2-CD1 3.86Å; L840-I843 WeakPolarHBondContact O-CB 3.49Å; L840-I843 PolarHBondContact O-N 3.07Å; L840-F868 WeakPolarHBondContact CG-O 3.41Å; L840-F868 PolarHBondContact N-O 2.99Å; L840-P869 WeakPolarHBondContact CD1-O 3.37Å; L840-F892 HydrophobicContact CD2-CE1 4.45Å
841Y97.5Very high98.3Very high26 Ų2616 Ų1610%0.1028%0.084CC..G310 helixtrans-57.1-19.3179.581-100.5000114.5Q464 L502 Q839 I843Q464-Y841 PolarHBondContact NE2-O 3.09Å; Q464-Y841 WeakPolarHBondContact O-CA 3.49Å; L502-Y841 HydrophobicContact CD1-CD2 3.72Å; L502-Y841 HydrophobicContact CD1-CE2 4.25Å; L502-Y841 HydrophobicContact CD2-CD2 3.6Å; L502-Y841 HydrophobicContact CD2-CE2 3.75Å; L502-Y841 HydrophobicContact CG-CD2 4.32Å; Q839-Y841 HydrophobicContact CB-CD1 3.41Å; Q839-Y841 VanDerWaalsContact CB-CD1 3.41Å; Q839-Y841 HydrophobicContact CB-CE1 3.46Å; Q839-Y841 VanDerWaalsContact CB-CE1 3.46Å; Q839-Y841 HydrophobicContact CG-CD1 4.34Å; Q839-Y841 HydrophobicContact CG-CE1 4.1Å; Q839-Y841 PolarHBondContact O-N 3.26Å; Q839-Y841 VanDerWaalsContact O-N 3.16Å; Y841-I843 VanDerWaalsContact C-N 3.27Å
842K98.4Very high98.4Very high17 Ų1715.7 Ų15.77%0.0748%0.08CC..G310 helixtrans-78.9-10.1176.8-57.8-165.1-173.8-179.60113.7N838 Q839 L840 T914 C917 N918N838-K842 HydrophobicContact CB-CB 4.45Å; N838-K842 HydrophobicContact CB-CD 3.79Å; N838-K842 HydrophobicContact CB-CG 4.37Å; N838-K842 PolarHBondContact OD1-NZ 2.97Å; Q839-K842 PolarHBondContact O-N 3.01Å; L840-K842 PolarHBondContact O-N 3.43Å; K842-T914 HydrophobicContact CB-CG2 4.16Å; K842-T914 WeakPolarHBondContact O-CB 3.26Å; K842-T914 WeakPolarHBondContact O-CG2 3.21Å; K842-C917 HydrophobicContact CB-CB 4.32Å; K842-C917 HydrophobicContact CD-CB 3.89Å; K842-C917 WeakPolarHBondContact CD-O 3.44Å; K842-C917 WeakPolarHBondContact CD-SG 3.5Å; K842-C917 WeakPolarHBondContact CE-SG 3.33Å; K842-C917 HydrophobicContact CG-CB 3.98Å; K842-N918 PolarHBondContact NZ-O 3.45Å
843I98.5Very high98.4Very high3 Ų317.3 Ų17.32%0.0159%0.089CC..  trans-92.5130.4178.4-50.5172.7000108.6Q464 W469 L840 Y841 L848 W851 T914Q464-I843 PolarHBondContact NE2-O 3.07Å; W469-I843 HydrophobicContact CH2-CG2 3.87Å; W469-I843 HydrophobicContact CZ2-CB 4.3Å; W469-I843 HydrophobicContact CZ2-CG2 3.81Å; L840-I843 HydrophobicContact CD2-CD1 3.86Å; L840-I843 WeakPolarHBondContact O-CB 3.49Å; L840-I843 PolarHBondContact O-N 3.07Å; Y841-I843 VanDerWaalsContact C-N 3.27Å; I843-L848 HydrophobicContact CG2-CB 4.34Å; I843-W851 HydrophobicContact CD1-CH2 4.25Å; I843-W851 HydrophobicContact CD1-CZ3 3.94Å; I843-W851 HydrophobicContact CG1-CH2 4.1Å; I843-W851 HydrophobicContact CG1-CZ3 4.17Å; I843-W851 HydrophobicContact CG2-CZ3 4.3Å; I843-T914 HydrophobicContact CG1-CG2 4.18Å
844D98.2Very high98.4Very high20 Ų2017.3 Ų17.311%0.1079%0.089CC..  trans-117.1168.3170.577.4-27.8000110.5S846 T847 L848 L916D844-S846 VanDerWaalsContact CG-OG 3.31Å; D844-S846 PolarHBondContact O-N 3.38Å; D844-S846 PolarHBondContact OD1-OG 3.1Å; D844-S846 PolarHBondContact OD2-OG 2.91Å; D844-T847 PolarHBondContact O-N 3.2Å; D844-T847 WeakPolarHBondContact OD1-CA 3.39Å; D844-T847 WeakPolarHBondContact OD1-CB 3.47Å; D844-T847 PolarHBondContact OD1-N 2.86Å; D844-T847 PolarHBondContact OD1-OG1 3.4Å; D844-L848 PolarHBondContact O-N 3.5Å; D844-L848 VanDerWaalsContact O-N 3.11Å; D844-L916 HydrophobicContact CB-CD2 4.26Å
845P98.5Very high98.4Very high34 Ų3417.3 Ų17.322%0.2219%0.089CC..Hα-helixtrans-55.7-37.1179.2-26.133.3000113.1W469 Y472 L848 Q849W469-P845 HydrophobicContact CB-CG 3.93Å; W469-P845 HydrophobicContact CD2-CB 4.41Å; W469-P845 HydrophobicContact CD2-CG 3.63Å; W469-P845 HydrophobicContact CE3-CB 4.16Å; W469-P845 HydrophobicContact CE3-CG 3.86Å; W469-P845 HydrophobicContact CG-CG 3.67Å; Y472-P845 HydrophobicContact CD1-CG 3.98Å; Y472-P845 HydrophobicContact CD2-CG 4.25Å; Y472-P845 HydrophobicContact CE1-CG 4.25Å; Y472-P845 HydrophobicContact CG-CG 3.98Å; P845-L848 PolarHBondContact O-N 2.92Å; P845-Q849 WeakPolarHBondContact O-CB 3.41Å; P845-Q849 PolarHBondContact O-N 3.27Å
846S97.7Very high98.4Very high36 Ų3622.6 Ų22.625%0.25211%0.112SC..Hα-helixtrans-68.7-37.9-177.481.80000112.4D844 M850D844-S846 VanDerWaalsContact CG-OG 3.31Å; D844-S846 PolarHBondContact O-N 3.38Å; D844-S846 PolarHBondContact OD1-OG 3.1Å; D844-S846 PolarHBondContact OD2-OG 2.91Å; S846-M850 WeakPolarHBondContact O-CB 3.48Å; S846-M850 PolarHBondContact O-N 3.45Å
847T98.6Very high98.4Very high3 Ų327.1 Ų27.12%0.01813%0.129CC..Hα-helixtrans-68-45174.4-59.60000111.3D844 Q849 M850 W851 T914D844-T847 PolarHBondContact O-N 3.2Å; D844-T847 WeakPolarHBondContact OD1-CA 3.39Å; D844-T847 WeakPolarHBondContact OD1-CB 3.47Å; D844-T847 PolarHBondContact OD1-N 2.86Å; D844-T847 PolarHBondContact OD1-OG1 3.4Å; T847-Q849 VanDerWaalsContact C-N 3.29Å; T847-Q849 PolarHBondContact O-N 3.42Å; T847-M850 HydrophobicContact CG2-CE 4.45Å; T847-M850 WeakPolarHBondContact O-CB 3.25Å; T847-M850 PolarHBondContact O-N 2.9Å; T847-W851 HydrophobicContact CG2-CD2 3.94Å; T847-W851 HydrophobicContact CG2-CE3 4.44Å; T847-W851 HydrophobicContact CG2-CH2 4.03Å; T847-W851 HydrophobicContact CG2-CZ2 3.46Å; T847-W851 VanDerWaalsContact CG2-CZ2 3.46Å; T847-W851 HydrophobicContact CG2-CZ3 4.48Å; T847-W851 VanDerWaalsContact O-CG 3.32Å; T847-W851 PolarHBondContact O-N 3.45Å; T847-T914 HydrophobicContact CG2-CG2 4.2Å
848L98.7Very high98.4Very high1 Ų126.9 Ų26.91%0.00513%0.128CC..Hα-helixtrans-64.9-36.1178.4-171.267.7000111.6W469 I843 D844 P845 W851 A852 I876 M883W469-L848 HydrophobicContact CH2-CB 3.76Å; W469-L848 HydrophobicContact CH2-CD2 3.74Å; W469-L848 HydrophobicContact CH2-CG 4.34Å; W469-L848 HydrophobicContact CZ3-CB 4.02Å; W469-L848 HydrophobicContact CZ3-CD2 3.56Å; W469-L848 HydrophobicContact CZ3-CG 4.43Å; I843-L848 HydrophobicContact CG2-CB 4.34Å; D844-L848 PolarHBondContact O-N 3.5Å; D844-L848 VanDerWaalsContact O-N 3.11Å; P845-L848 PolarHBondContact O-N 2.92Å; L848-W851 HydrophobicContact CD1-CE3 4.14Å; L848-W851 PolarHBondContact O-N 2.92Å; L848-A852 WeakPolarHBondContact O-CB 3.34Å; L848-A852 PolarHBondContact O-N 3.36Å; L848-I876 HydrophobicContact CD1-CG2 4.48Å; L848-I876 HydrophobicContact CD2-CG2 4.44Å; L848-M883 HydrophobicContact CB-CE 4.16Å; L848-M883 HydrophobicContact CB-SD 4.17Å; L848-M883 HydrophobicContact CD2-CE 4.16Å; L848-M883 HydrophobicContact CD2-SD 3.97Å; L848-M883 HydrophobicContact CG-CE 4.28Å; L848-M883 HydrophobicContact CG-SD 3.81Å
849Q98.6Very high98.4Very high71 Ų7131.4 Ų31.433%0.33216%0.158SC..Hα-helixtrans-62.6-43.5173.8-176.760.469.300111.9P845 T847 W851 A852 N853 M883P845-Q849 WeakPolarHBondContact O-CB 3.41Å; P845-Q849 PolarHBondContact O-N 3.27Å; T847-Q849 VanDerWaalsContact C-N 3.29Å; T847-Q849 PolarHBondContact O-N 3.42Å; Q849-W851 VanDerWaalsContact C-N 3.33Å; Q849-W851 PolarHBondContact O-N 2.97Å; Q849-A852 PolarHBondContact O-N 2.98Å; Q849-N853 PolarHBondContact NE2-OD1 3.17Å; Q849-N853 VanDerWaalsContact O-CG 3.24Å; Q849-N853 PolarHBondContact O-N 3.47Å; Q849-N853 PolarHBondContact O-OD1 3.33Å; Q849-M883 HydrophobicContact CB-CE 4.2Å; Q849-M883 HydrophobicContact CB-SD 4.23Å
850M98.5Very high98.3Very high5 Ų533.5 Ų33.53%0.02517%0.172CC..Hα-helixtrans-59.8-44.6175.4-170.4174.259.800111.1S846 T847 A852 N853 I854 P915 R963 Y966 E967S846-M850 WeakPolarHBondContact O-CB 3.48Å; S846-M850 PolarHBondContact O-N 3.45Å; T847-M850 HydrophobicContact CG2-CE 4.45Å; T847-M850 WeakPolarHBondContact O-CB 3.25Å; T847-M850 PolarHBondContact O-N 2.9Å; M850-A852 PolarHBondContact O-N 3.49Å; M850-N853 WeakPolarHBondContact O-CB 3.4Å; M850-N853 PolarHBondContact O-N 3Å; M850-I854 WeakPolarHBondContact O-CG1 3.4Å; M850-I854 PolarHBondContact O-N 3.12Å; M850-I854 VanDerWaalsContact O-N 3.07Å; M850-P915 HydrophobicContact CE-CG 4.03Å; M850-R963 HydrophobicContact SD-CB 3.97Å; M850-R963 HydrophobicContact SD-CG 4.21Å; M850-Y966 HydrophobicContact CE-CD1 3.42Å; M850-Y966 VanDerWaalsContact CE-CD1 3.42Å; M850-Y966 HydrophobicContact CE-CD2 4.09Å; M850-Y966 HydrophobicContact CE-CE1 3.42Å; M850-Y966 VanDerWaalsContact CE-CE1 3.42Å; M850-Y966 HydrophobicContact CE-CE2 4.04Å; M850-Y966 HydrophobicContact CE-CG 3.79Å; M850-Y966 HydrophobicContact CG-CD1 3.97Å; M850-Y966 HydrophobicContact CG-CE1 4.43Å; M850-Y966 HydrophobicContact SD-CD1 3.42Å; M850-Y966 WeakPolarHBondContact SD-CD1 3.48Å; M850-Y966 HydrophobicContact SD-CD2 4.46Å; M850-Y966 HydrophobicContact SD-CE1 4.06Å; M850-Y966 HydrophobicContact SD-CG 3.68Å; M850-E967 HydrophobicContact CG-CG 3.41Å; M850-E967 VanDerWaalsContact CG-CG 3.41Å; M850-E967 HydrophobicContact SD-CG 4.48Å
851W98.8Very high98.3Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-65.3-37.4175-63.1-9.4000112.6N836 I843 T847 L848 Q849 N853 I854 L855 L863 L865 L912 T914 Y966N836-W851 HydrophobicContact CB-CH2 3.83Å; N836-W851 HydrophobicContact CB-CZ2 4.27Å; I843-W851 HydrophobicContact CD1-CH2 4.25Å; I843-W851 HydrophobicContact CD1-CZ3 3.94Å; I843-W851 HydrophobicContact CG1-CH2 4.1Å; I843-W851 HydrophobicContact CG1-CZ3 4.17Å; I843-W851 HydrophobicContact CG2-CZ3 4.3Å; T847-W851 HydrophobicContact CG2-CD2 3.94Å; T847-W851 HydrophobicContact CG2-CE3 4.44Å; T847-W851 HydrophobicContact CG2-CH2 4.03Å; T847-W851 HydrophobicContact CG2-CZ2 3.46Å; T847-W851 VanDerWaalsContact CG2-CZ2 3.46Å; T847-W851 HydrophobicContact CG2-CZ3 4.48Å; T847-W851 VanDerWaalsContact O-CG 3.32Å; T847-W851 PolarHBondContact O-N 3.45Å; L848-W851 HydrophobicContact CD1-CE3 4.14Å; L848-W851 PolarHBondContact O-N 2.92Å; Q849-W851 VanDerWaalsContact C-N 3.33Å; Q849-W851 PolarHBondContact O-N 2.97Å; W851-N853 VanDerWaalsContact C-N 3.33Å; W851-N853 PolarHBondContact O-N 3.28Å; W851-I854 WeakPolarHBondContact O-CB 3.4Å; W851-I854 PolarHBondContact O-N 3Å; W851-L855 WeakPolarHBondContact O-CB 3.24Å; W851-L855 VanDerWaalsContact O-CG 3.32Å; W851-L855 WeakPolarHBondContact O-CG 3.35Å; W851-L855 PolarHBondContact O-N 2.86Å; W851-L863 HydrophobicContact CB-CD2 4.49Å; W851-L863 HydrophobicContact CD2-CD2 4.29Å; W851-L863 HydrophobicContact CE3-CD2 3.53Å; W851-L863 HydrophobicContact CZ3-CD2 4.1Å; W851-L865 HydrophobicContact CZ3-CD2 4.11Å; W851-L912 HydrophobicContact CD2-CD1 4.42Å; W851-L912 HydrophobicContact CG-CD1 3.99Å; W851-L912 HydrophobicContact CZ2-CB 4.18Å; W851-T914 HydrophobicContact CH2-CG2 3.85Å; W851-T914 HydrophobicContact CZ2-CG2 3.88Å; W851-Y966 PolarHBondContact NE1-OH 3.44Å
852A98.7Very high98.4Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-63.9-38.2174.500000112.6L848 Q849 M850 L855 K856 M883 L885L848-A852 WeakPolarHBondContact O-CB 3.34Å; L848-A852 PolarHBondContact O-N 3.36Å; Q849-A852 PolarHBondContact O-N 2.98Å; M850-A852 PolarHBondContact O-N 3.49Å; A852-L855 PolarHBondContact O-N 3.14Å; A852-K856 WeakPolarHBondContact O-CB 3.37Å; A852-K856 VanDerWaalsContact O-CG 3.28Å; A852-K856 WeakPolarHBondContact O-CG 3.27Å; A852-K856 PolarHBondContact O-N 3.28Å; A852-M883 HydrophobicContact CB-CB 4.02Å; A852-M883 HydrophobicContact CB-SD 4.3Å; A852-L885 HydrophobicContact CB-CD1 3.69Å; A852-L885 HydrophobicContact CB-CD2 4.39Å; A852-L885 HydrophobicContact CB-CG 3.93Å
853N98.7Very high98.4Very high47 Ų4731.9 Ų31.925%0.25117%0.166SC..Hα-helixtrans-63.4-44.8174-64.9-15000111.4Q849 M850 W851 K856 R857 E967Q849-N853 PolarHBondContact NE2-OD1 3.17Å; Q849-N853 VanDerWaalsContact O-CG 3.24Å; Q849-N853 PolarHBondContact O-N 3.47Å; Q849-N853 PolarHBondContact O-OD1 3.33Å; M850-N853 WeakPolarHBondContact O-CB 3.4Å; M850-N853 PolarHBondContact O-N 3Å; W851-N853 VanDerWaalsContact C-N 3.33Å; W851-N853 PolarHBondContact O-N 3.28Å; N853-K856 PolarHBondContact O-N 2.69Å; N853-R857 WeakPolarHBondContact O-CB 3.5Å; N853-R857 WeakPolarHBondContact O-CD 3.4Å; N853-R857 VanDerWaalsContact O-CG 3.24Å; N853-R857 WeakPolarHBondContact O-CG 3.3Å; N853-R857 PolarHBondContact O-N 3.2Å; N853-R857 VanDerWaalsContact O-N 3.09Å; N853-E967 WeakPolarHBondContact CB-OE1 3.45Å; N853-E967 WeakPolarHBondContact CB-OE2 3.3Å; N853-E967 PolarHBondContact ND2-OE1 2.93Å
854I98.9Very high98.4Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-56.8-52.9174.3-66.9160.8000110.4Y834 M850 W851 K856 R857 V858 L912 Y966 E967 A970 V971Y834-I854 HydrophobicContact CD2-CG2 4.39Å; Y834-I854 HydrophobicContact CE1-CG2 4.29Å; Y834-I854 HydrophobicContact CE2-CG2 3.76Å; M850-I854 WeakPolarHBondContact O-CG1 3.4Å; M850-I854 PolarHBondContact O-N 3.12Å; M850-I854 VanDerWaalsContact O-N 3.07Å; W851-I854 WeakPolarHBondContact O-CB 3.4Å; W851-I854 PolarHBondContact O-N 3Å; I854-K856 VanDerWaalsContact C-N 3.3Å; I854-K856 PolarHBondContact O-N 3.21Å; I854-R857 PolarHBondContact O-N 2.94Å; I854-V858 HydrophobicContact CG2-CG2 4.48Å; I854-V858 WeakPolarHBondContact O-CG2 3.13Å; I854-V858 PolarHBondContact O-N 3.2Å; I854-L912 HydrophobicContact CD1-CD1 4.32Å; I854-L912 HydrophobicContact CD1-CD2 4.33Å; I854-Y966 HydrophobicContact CD1-CD1 3.96Å; I854-Y966 HydrophobicContact CD1-CE1 3.74Å; I854-E967 HydrophobicContact CD1-CG 4.38Å; I854-E967 HydrophobicContact CG1-CB 3.94Å; I854-E967 HydrophobicContact CG1-CG 4.01Å; I854-A970 HydrophobicContact CD1-CB 3.52Å; I854-A970 HydrophobicContact CG1-CB 3.92Å; I854-A970 HydrophobicContact CG2-CB 4.02Å; I854-V971 HydrophobicContact CB-CG2 4.28Å; I854-V971 HydrophobicContact CG1-CG2 4.28Å; I854-V971 HydrophobicContact CG2-CG2 4.08Å
855L98.8Very high98.5Very high1 Ų130.9 Ų30.91%0.00516%0.161CC..Hα-helixtrans-61.3-36.6-178.8-70.1177.3000112.1Y834 W851 A852 R857 V858 S861 L863 L885 R889Y834-L855 HydrophobicContact CD2-CD2 4.02Å; W851-L855 WeakPolarHBondContact O-CB 3.24Å; W851-L855 VanDerWaalsContact O-CG 3.32Å; W851-L855 WeakPolarHBondContact O-CG 3.35Å; W851-L855 PolarHBondContact O-N 2.86Å; A852-L855 PolarHBondContact O-N 3.14Å; L855-R857 VanDerWaalsContact C-N 3.31Å; L855-R857 PolarHBondContact O-N 3.47Å; L855-V858 VanDerWaalsContact O-O 3.06Å; L855-S861 WeakPolarHBondContact CD2-OG 3.25Å; L855-L863 HydrophobicContact CD1-CB 3.97Å; L855-L863 HydrophobicContact CD2-CB 4.42Å; L855-L885 HydrophobicContact CB-CD2 3.8Å; L855-L885 HydrophobicContact CD1-CD1 3.67Å; L855-L885 HydrophobicContact CD1-CD2 4.28Å; L855-R889 HydrophobicContact CD1-CB 4.4Å; L855-R889 PolarHBondContact O-NH1 3.01Å; L855-R889 PolarHBondContact O-NH2 3.47Å
856K98.6Very high98.5Very high111 Ų11129.3 Ų29.348%0.48315%0.15SC..Hα-helixtrans-66.3-33.1174.6-74.8173.5-177.1178.80112.9A852 N853 I854 M883 L885A852-K856 WeakPolarHBondContact O-CB 3.37Å; A852-K856 VanDerWaalsContact O-CG 3.28Å; A852-K856 WeakPolarHBondContact O-CG 3.27Å; A852-K856 PolarHBondContact O-N 3.28Å; N853-K856 PolarHBondContact O-N 2.69Å; I854-K856 VanDerWaalsContact C-N 3.3Å; I854-K856 PolarHBondContact O-N 3.21Å; K856-M883 WeakPolarHBondContact CE-O 3.36Å; K856-M883 PolarHBondContact NZ-O 2.92Å; K856-L885 HydrophobicContact CG-CD2 4.18Å
857R98.7Very high98.5Very high97 Ų9731.6 Ų31.637%0.36615%0.154SC..Hα-helixtrans-83.1-18-178.7-68.8165.563-172.2-2113.4N853 I854 L855 E967 D968 V971N853-R857 WeakPolarHBondContact O-CB 3.5Å; N853-R857 WeakPolarHBondContact O-CD 3.4Å; N853-R857 VanDerWaalsContact O-CG 3.24Å; N853-R857 WeakPolarHBondContact O-CG 3.3Å; N853-R857 PolarHBondContact O-N 3.2Å; N853-R857 VanDerWaalsContact O-N 3.09Å; I854-R857 PolarHBondContact O-N 2.94Å; L855-R857 VanDerWaalsContact C-N 3.31Å; L855-R857 PolarHBondContact O-N 3.47Å; R857-E967 VanDerWaalsContact NH1-CB 3.34Å; R857-E967 IonicContact NH1-OE2 2.88Å; R857-E967 PolarHBondContact NH1-OE2 3.41Å; R857-D968 IonicContact CZ-OD1 2.94Å; R857-D968 VanDerWaalsContact CZ-OD1 3.28Å; R857-D968 IonicContact NH1-OD1 3.1Å; R857-D968 PolarHBondContact NH1-OD1 3.45Å; R857-D968 IonicContact NH2-OD1 3.4Å; R857-D968 PolarHBondContact NH2-OD1 3.2Å; R857-V971 HydrophobicContact CB-CG1 4.06Å; R857-V971 HydrophobicContact CB-CG2 3.67Å; R857-V971 HydrophobicContact CG-CG2 4.5Å
858V98.6Very high98.4Very high2 Ų235 Ų351%0.01217%0.168CC..SBendtrans-112.2105.4178.1-173.10000110.8I832 Y834 I854 L855 N860 S861 R889 V971 G974 T975I832-V858 HydrophobicContact CB-CG1 4.47Å; Y834-V858 HydrophobicContact CE2-CG2 4.41Å; I854-V858 HydrophobicContact CG2-CG2 4.48Å; I854-V858 WeakPolarHBondContact O-CG2 3.13Å; I854-V858 PolarHBondContact O-N 3.2Å; L855-V858 VanDerWaalsContact O-O 3.06Å; V858-N860 PolarHBondContact O-N 2.93Å; V858-S861 WeakPolarHBondContact CB-OG 3.32Å; V858-S861 WeakPolarHBondContact O-CB 3.4Å; V858-S861 PolarHBondContact O-N 3.33Å; V858-S861 PolarHBondContact O-OG 2.73Å; V858-R889 PolarHBondContact O-NH2 3.46Å; V858-V971 HydrophobicContact CG2-CB 4.18Å; V858-V971 HydrophobicContact CG2-CG1 4.08Å; V858-V971 HydrophobicContact CG2-CG2 3.97Å; V858-G974 VanDerWaalsContact CG1-O 3.23Å; V858-G974 WeakPolarHBondContact CG1-O 3.4Å; V858-T975 HydrophobicContact CB-CG2 4.49Å; V858-T975 HydrophobicContact CG1-CG2 4.2Å; V858-T975 HydrophobicContact CG2-CG2 4.04Å
859P96.7Very high98.4Very high99 Ų9936.7 Ų36.764%0.64318%0.179SC*.THydrogen-bonded Turntrans-53.2139.3179.7-2735.1000112.8S861P859-S861 PolarHBondContact O-N 2.93Å
860N96.7Very high98.4Very high129 Ų12935.9 Ų35.969%0.6919%0.185SC*.THydrogen-bonded Turntrans58.7-5.2178.8-56.2-36.7000116.8A831 V858A831-N860 HydrophobicContact CB-CB 4.04Å; A831-N860 WeakPolarHBondContact CB-O 3.32Å; V858-N860 PolarHBondContact O-N 2.93Å
861S98.6Very high98.3Very high0 Ų039 Ų390%020%0.204CC..  trans-59148.3-177.158.10000112.1I832 L855 V858 P859 R889I832-S861 CarbonylContact O-C 3.58Å; I832-S861 WeakPolarHBondContact O-CA 3.41Å; L855-S861 WeakPolarHBondContact CD2-OG 3.25Å; V858-S861 WeakPolarHBondContact CB-OG 3.32Å; V858-S861 WeakPolarHBondContact O-CB 3.4Å; V858-S861 PolarHBondContact O-N 3.33Å; V858-S861 PolarHBondContact O-OG 2.73Å; P859-S861 PolarHBondContact O-N 2.93Å; S861-R889 PolarHBondContact O-NE 3.49Å; S861-R889 PolarHBondContact O-NH2 2.98Å; S861-R889 PolarHBondContact OG-NH2 3.29Å
862V98.9Very high98.3Very high8 Ų839 Ų395%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-124.9154175.3-61.70000110.2P828 I832 V833 Y834 R889 I891P828-V862 HydrophobicContact CG-CB 4.49Å; P828-V862 HydrophobicContact CG-CG1 3.94Å; P828-V862 HydrophobicContact CG-CG2 3.68Å; I832-V862 PolarHBondContact O-N 2.91Å; V833-V862 HydrophobicContact CB-CG2 4.26Å; V833-V862 HydrophobicContact CG1-CG2 4.31Å; V833-V862 HydrophobicContact CG2-CG2 3.7Å; Y834-V862 PolarHBondContact N-O 3.4Å; V862-R889 CarbonylContact C-O 3.41Å; V862-R889 VanDerWaalsContact CA-O 3.3Å; V862-R889 WeakPolarHBondContact CA-O 3.37Å; V862-I891 HydrophobicContact CB-CD1 4.21Å; V862-I891 HydrophobicContact CG1-CD1 4.32Å; V862-I891 HydrophobicContact CG2-CD1 4.08Å
863L98.9Very high98.2Very high2 Ų240.9 Ų40.91%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-105.2124.6171.6177.665000109.4Y834 W851 L855 L865 R889 I890 I891 L912Y834-L863 CarbonylContact O-C 3.55Å; Y834-L863 WeakPolarHBondContact O-CA 3.45Å; W851-L863 HydrophobicContact CB-CD2 4.49Å; W851-L863 HydrophobicContact CD2-CD2 4.29Å; W851-L863 HydrophobicContact CE3-CD2 3.53Å; W851-L863 HydrophobicContact CZ3-CD2 4.1Å; L855-L863 HydrophobicContact CD1-CB 3.97Å; L855-L863 HydrophobicContact CD2-CB 4.42Å; L863-L865 HydrophobicContact CD1-CD2 4.1Å; L863-L865 HydrophobicContact CD2-CD1 4.05Å; L863-L865 HydrophobicContact CD2-CD2 4.02Å; L863-L865 HydrophobicContact CD2-CG 4.07Å; L863-L865 HydrophobicContact CG-CD1 4.45Å; L863-L865 HydrophobicContact CG-CD2 3.89Å; L863-L865 HydrophobicContact CG-CG 3.94Å; L863-R889 PolarHBondContact N-O 3.07Å; L863-I890 HydrophobicContact CB-CG1 4.43Å; L863-I890 CarbonylContact O-C 3.53Å; L863-I890 WeakPolarHBondContact O-CA 3.48Å; L863-I891 PolarHBondContact O-N 3.35Å; L863-L912 HydrophobicContact CD1-CD1 4.2Å
864W98.8Very high98.2Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-103.1112.2179.2-173.619.4000110.7Y825 L827 V833 Y834 C835 N836 F837 I891 S893 R904 L907Y825-W864 HydrophobicContact CD1-CH2 4.37Å; Y825-W864 AromaticContact CD1-CZ2 3.76Å; Y825-W864 HydrophobicContact CD1-CZ2 3.76Å; Y825-W864 AromaticContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CH2 3.91Å; Y825-W864 HydrophobicContact CD2-CZ2 4.04Å; Y825-W864 HydrophobicContact CE1-CZ2 4.32Å; Y825-W864 HydrophobicContact CE2-CH2 4.26Å; Y825-W864 AromaticContact CG-CH2 3.96Å; Y825-W864 HydrophobicContact CG-CH2 3.96Å; Y825-W864 AromaticContact CG-CZ2 3.59Å; Y825-W864 HydrophobicContact CG-CZ2 3.59Å; L827-W864 HydrophobicContact CD1-CD2 3.84Å; L827-W864 HydrophobicContact CD1-CE3 3.53Å; L827-W864 HydrophobicContact CD1-CH2 3.87Å; L827-W864 HydrophobicContact CD1-CZ2 4.16Å; L827-W864 HydrophobicContact CD1-CZ3 3.56Å; L827-W864 HydrophobicContact CD2-CB 4.11Å; L827-W864 HydrophobicContact CD2-CD2 3.96Å; L827-W864 HydrophobicContact CD2-CE3 4.33Å; L827-W864 HydrophobicContact CD2-CG 3.87Å; L827-W864 HydrophobicContact CG-CD2 4.43Å; V833-W864 HydrophobicContact CG1-CB 3.99Å; V833-W864 HydrophobicContact CG1-CE3 4.28Å; Y834-W864 PolarHBondContact O-N 3.49Å; C835-W864 WeakPolarHBondContact CA-O 3.37Å; C835-W864 HydrophobicContact CB-CB 4.14Å; C835-W864 HydrophobicContact CB-CE3 4.46Å; N836-W864 PolarHBondContact N-O 3.11Å; F837-W864 HydrophobicContact CE1-CB 4.47Å; F837-W864 AromaticContact CE1-CD2 3.63Å; F837-W864 HydrophobicContact CE1-CD2 3.63Å; F837-W864 AromaticContact CE1-CE2 4Å; F837-W864 AromaticContact CE1-CE3 3.85Å; F837-W864 HydrophobicContact CE1-CE3 3.85Å; F837-W864 AromaticContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CG 3.92Å; F837-W864 HydrophobicContact CE1-CZ3 4.37Å; F837-W864 AromaticContact CZ-CD2 3.73Å; F837-W864 HydrophobicContact CZ-CD2 3.73Å; F837-W864 AromaticContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CE3 3.45Å; F837-W864 VanDerWaalsContact CZ-CE3 3.45Å; F837-W864 HydrophobicContact CZ-CG 4.45Å; F837-W864 HydrophobicContact CZ-CH2 4.06Å; F837-W864 HydrophobicContact CZ-CZ2 4.29Å; F837-W864 AromaticContact CZ-CZ3 3.62Å; F837-W864 HydrophobicContact CZ-CZ3 3.62Å; W864-I891 WeakPolarHBondContact CA-O 3.48Å; W864-S893 VanDerWaalsContact NE1-CB 3.35Å; W864-S893 PolarHBondContact NE1-OG 3.25Å; W864-R904 HydrophobicContact CH2-CB 3.86Å; W864-R904 HydrophobicContact CH2-CG 3.68Å; W864-R904 HydrophobicContact CZ2-CG 4.29Å; W864-R904 HydrophobicContact CZ3-CG 4.4Å; W864-R904 WeakPolarHBondContact CZ3-O 3.46Å; W864-L907 HydrophobicContact CH2-CD1 4.34Å; W864-L907 HydrophobicContact CZ3-CB 4.19Å
865L98.8Very high98.2Very high2 Ų244.6 Ų44.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-115.7168.4-179-60.8-177.5000111.7N836 W851 L863 I876 I890 I891 F892 S893N836-L865 HydrophobicContact CB-CD2 4Å; W851-L865 HydrophobicContact CZ3-CD2 4.11Å; L863-L865 HydrophobicContact CD1-CD2 4.1Å; L863-L865 HydrophobicContact CD2-CD1 4.05Å; L863-L865 HydrophobicContact CD2-CD2 4.02Å; L863-L865 HydrophobicContact CD2-CG 4.07Å; L863-L865 HydrophobicContact CG-CD1 4.45Å; L863-L865 HydrophobicContact CG-CD2 3.89Å; L863-L865 HydrophobicContact CG-CG 3.94Å; L865-I876 HydrophobicContact CD1-CG2 4.12Å; L865-I890 HydrophobicContact CD1-CG2 3.86Å; L865-I890 HydrophobicContact CG-CG2 4.2Å; L865-I891 PolarHBondContact N-O 2.83Å; L865-F892 HydrophobicContact CB-CD1 3.93Å; L865-F892 HydrophobicContact CB-CE1 3.68Å; L865-F892 HydrophobicContact CB-CG 4.49Å; L865-F892 HydrophobicContact CB-CZ 4.03Å; L865-F892 HydrophobicContact CD1-CE1 4.16Å; L865-F892 HydrophobicContact CD1-CE2 4.39Å; L865-F892 HydrophobicContact CD1-CZ 3.77Å; L865-F892 WeakPolarHBondContact O-CA 3.41Å; L865-S893 PolarHBondContact O-N 2.91Å
866L98.6Very high98.2Very high1 Ų144.5 Ų44.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-105.5147.3174.9-55.8-167.7000112.2F837 F868 S893F837-L866 HydrophobicContact CB-CD1 3.74Å; F837-L866 HydrophobicContact CB-CG 4.03Å; F837-L866 HydrophobicContact CD1-CD1 4.29Å; F837-L866 HydrophobicContact CD1-CD2 3.6Å; F837-L866 HydrophobicContact CD1-CG 3.76Å; F837-L866 HydrophobicContact CE1-CD2 4.02Å; F837-L866 HydrophobicContact CG-CD1 4.22Å; F837-L866 HydrophobicContact CG-CD2 4.26Å; F837-L866 HydrophobicContact CG-CG 4.19Å; L866-F868 HydrophobicContact CB-CB 4.1Å; L866-F868 PolarHBondContact O-N 3.28Å; L866-S893 WeakPolarHBondContact CA-O 3.37Å
867R98.4Very high98.2Very high85 Ų8540.4 Ų40.432%0.32122%0.219SC..  trans-71.372165.3-71.9-173.4-178.485.919110.3P869 A870 E873 F892 S893R867-P869 CarbonylContact O-C 3.53Å; R867-A870 HydrophobicContact CB-CB 3.87Å; R867-A870 HydrophobicContact CG-CB 4.2Å; R867-A870 PolarHBondContact O-N 3.45Å; R867-E873 IonicContact CZ-OE2 3.24Å; R867-E873 IonicContact NE-OE2 3.61Å; R867-E873 PolarHBondContact NE-OE2 3.42Å; R867-E873 IonicContact NH2-OE1 3.87Å; R867-E873 PolarHBondContact NH2-OE1 3.16Å; R867-E873 IonicContact NH2-OE2 3.24Å; R867-E873 PolarHBondContact NH2-OE2 2.99Å; R867-E873 VanDerWaalsContact NH2-OE2 3.15Å; R867-F892 HydrophobicContact CG-CB 4.13Å; R867-F892 HydrophobicContact CG-CD1 4.26Å; R867-F892 PolarHBondContact NH1-O 3.33Å; R867-F892 PolarHBondContact NH2-O 2.92Å; R867-S893 PolarHBondContact N-O 2.93Å
868F97.5Very high98.2Very high73 Ų7340.1 Ų40.132%0.3222%0.222SC..THydrogen-bonded Turntrans-130.566.5-172-154.53.7000113.1Q839 L840 L866 V895Q839-F868 HydrophobicContact CB-CD2 4.21Å; Q839-F868 HydrophobicContact CB-CE2 4.47Å; Q839-F868 HydrophobicContact CB-CG 4.38Å; Q839-F868 HydrophobicContact CG-CD1 3.92Å; Q839-F868 HydrophobicContact CG-CD2 3.43Å; Q839-F868 VanDerWaalsContact CG-CD2 3.43Å; Q839-F868 HydrophobicContact CG-CE1 3.8Å; Q839-F868 HydrophobicContact CG-CE2 3.28Å; Q839-F868 HydrophobicContact CG-CG 3.76Å; Q839-F868 HydrophobicContact CG-CZ 3.49Å; Q839-F868 VanDerWaalsContact CG-CZ 3.49Å; L840-F868 WeakPolarHBondContact CG-O 3.41Å; L840-F868 PolarHBondContact N-O 2.99Å; L866-F868 HydrophobicContact CB-CB 4.1Å; L866-F868 PolarHBondContact O-N 3.28Å; F868-V895 HydrophobicContact CB-CG2 4.04Å; F868-V895 HydrophobicContact CD1-CG2 4.01Å; F868-V895 HydrophobicContact CD2-CG2 4.12Å; F868-V895 HydrophobicContact CE1-CG2 4.46Å; F868-V895 HydrophobicContact CG-CG2 3.81Å
869P97.7Very high98.2Very high37 Ų3742.1 Ų42.124%0.2423%0.229CC..THydrogen-bonded Turncis-95.1164.78.336.8-35.7000114.4I465 V466 L840 R867 V871 G872I465-P869 HydrophobicContact CG2-CG 3.91Å; I465-P869 VanDerWaalsContact O-CD 3.29Å; I465-P869 WeakPolarHBondContact O-CD 3.49Å; V466-P869 HydrophobicContact CG1-CG 4.39Å; L840-P869 WeakPolarHBondContact CD1-O 3.37Å; R867-P869 CarbonylContact O-C 3.53Å; P869-V871 VanDerWaalsContact C-N 3.27Å; P869-V871 HydrophobicContact CB-CG2 4.17Å; P869-V871 HydrophobicContact CG-CG2 3.86Å; P869-V871 PolarHBondContact O-N 3.33Å; P869-G872 PolarHBondContact O-N 3.26Å; P869-G872 VanDerWaalsContact O-N 3.15Å
870A97.8Very high98.3Very high54 Ų5437.4 Ų37.445%0.44620%0.199SC..G310 helixtrans-57-36.2-179.900000113.9R867 G872 E873R867-A870 HydrophobicContact CB-CB 3.87Å; R867-A870 HydrophobicContact CG-CB 4.2Å; R867-A870 PolarHBondContact O-N 3.45Å; A870-G872 PolarHBondContact O-N 3.4Å; A870-G872 VanDerWaalsContact O-N 3.12Å; A870-E873 VanDerWaalsContact O-CB 3.28Å; A870-E873 WeakPolarHBondContact O-CB 3.48Å; A870-E873 PolarHBondContact O-N 2.99Å; A870-E873 VanDerWaalsContact O-N 3.07Å
871V97.2Very high98.3Very high70 Ų7037 Ų3742%0.42419%0.193SC..G310 helixtrans-64.8-14.3-179.4-64.20000113.9P436 V466 P869 P874P436-V871 HydrophobicContact CG-CG1 4.34Å; V466-V871 HydrophobicContact CG1-CG2 3.76Å; P869-V871 VanDerWaalsContact C-N 3.27Å; P869-V871 HydrophobicContact CB-CG2 4.17Å; P869-V871 HydrophobicContact CG-CG2 3.86Å; P869-V871 PolarHBondContact O-N 3.33Å; V871-P874 WeakPolarHBondContact O-CD 3.41Å
872G98Very high98.3Very high0 Ų042.3 Ų42.30%022%0.222CC..G310 helixtrans-84.7-16.3173.900000114.5V466 P869 A870 N875 I876V466-G872 WeakPolarHBondContact O-CA 3.34Å; P869-G872 PolarHBondContact O-N 3.26Å; P869-G872 VanDerWaalsContact O-N 3.15Å; A870-G872 PolarHBondContact O-N 3.4Å; A870-G872 VanDerWaalsContact O-N 3.12Å; G872-N875 WeakPolarHBondContact O-CB 3.43Å; G872-N875 PolarHBondContact O-N 3.26Å; G872-I876 PolarHBondContact O-N 3.39Å; G872-I876 VanDerWaalsContact O-N 3.15Å
873E98.4Very high98.3Very high40 Ų4043.3 Ų43.319%0.18723%0.226CC..Hα-helixtrans-52.4-50.2178177.7170.5-178.200114R867 A870 N875 I876 Q877 F892R867-E873 IonicContact CZ-OE2 3.24Å; R867-E873 IonicContact NE-OE2 3.61Å; R867-E873 PolarHBondContact NE-OE2 3.42Å; R867-E873 IonicContact NH2-OE1 3.87Å; R867-E873 PolarHBondContact NH2-OE1 3.16Å; R867-E873 IonicContact NH2-OE2 3.24Å; R867-E873 PolarHBondContact NH2-OE2 2.99Å; R867-E873 VanDerWaalsContact NH2-OE2 3.15Å; A870-E873 VanDerWaalsContact O-CB 3.28Å; A870-E873 WeakPolarHBondContact O-CB 3.48Å; A870-E873 PolarHBondContact O-N 2.99Å; A870-E873 VanDerWaalsContact O-N 3.07Å; E873-N875 VanDerWaalsContact C-N 3.26Å; E873-N875 PolarHBondContact O-N 3.32Å; E873-I876 PolarHBondContact O-N 2.61Å; E873-Q877 HydrophobicContact CG-CG 4.26Å; E873-Q877 VanDerWaalsContact O-CG 3.31Å; E873-Q877 WeakPolarHBondContact O-CG 3.17Å; E873-Q877 PolarHBondContact O-N 2.66Å; E873-F892 HydrophobicContact CB-CD1 4.31Å; E873-F892 HydrophobicContact CB-CE1 4.27Å; E873-F892 HydrophobicContact CB-CG 4.46Å; E873-F892 HydrophobicContact CB-CZ 4.37Å; E873-F892 HydrophobicContact CG-CB 4.44Å; E873-F892 HydrophobicContact CG-CD1 4.2Å; E873-F892 HydrophobicContact CG-CD2 3.68Å; E873-F892 HydrophobicContact CG-CE1 4.36Å; E873-F892 HydrophobicContact CG-CE2 3.86Å; E873-F892 HydrophobicContact CG-CG 3.86Å; E873-F892 HydrophobicContact CG-CZ 4.19Å
874P98.4Very high98.2Very high81 Ų8145.6 Ų45.653%0.52625%0.25SC..Hα-helixtrans-60.9-35.2-179.723.1-34.4000112.8V871 Q878V871-P874 WeakPolarHBondContact O-CD 3.41Å; P874-Q878 WeakPolarHBondContact O-CB 3.32Å; P874-Q878 PolarHBondContact O-N 3.26Å
875N98.5Very high98.2Very high44 Ų4445.9 Ų45.924%0.23525%0.251CS..Hα-helixtrans-65.3-51.7177.8-63.7-22.9000110.6V466 G872 E873 Q877 Q878 Y879V466-N875 PolarHBondContact O-ND2 3.47Å; G872-N875 WeakPolarHBondContact O-CB 3.43Å; G872-N875 PolarHBondContact O-N 3.26Å; E873-N875 VanDerWaalsContact C-N 3.26Å; E873-N875 PolarHBondContact O-N 3.32Å; N875-Q877 VanDerWaalsContact C-N 3.31Å; N875-Q877 PolarHBondContact O-N 3.15Å; N875-Q878 PolarHBondContact O-N 2.86Å; N875-Y879 HydrophobicContact CB-CD2 4.47Å; N875-Y879 HydrophobicContact CB-CE2 4.22Å; N875-Y879 WeakPolarHBondContact O-CD2 3.07Å; N875-Y879 PolarHBondContact O-N 3.19Å
876I98.7Very high98Very high0 Ų049.2 Ų49.20%027%0.273CS..Hα-helixtrans-58.8-43.6178.4-65.6-66.4000111.2C467 W469 L848 L865 G872 E873 Q878 Y879 A880 I890 F892C467-I876 HydrophobicContact CB-CD1 3.56Å; C467-I876 HydrophobicContact CB-CG1 4.11Å; W469-I876 HydrophobicContact CH2-CD1 3.69Å; W469-I876 HydrophobicContact CZ2-CD1 3.95Å; W469-I876 HydrophobicContact CZ3-CD1 4.47Å; L848-I876 HydrophobicContact CD1-CG2 4.48Å; L848-I876 HydrophobicContact CD2-CG2 4.44Å; L865-I876 HydrophobicContact CD1-CG2 4.12Å; G872-I876 PolarHBondContact O-N 3.39Å; G872-I876 VanDerWaalsContact O-N 3.15Å; E873-I876 PolarHBondContact O-N 2.61Å; I876-Q878 PolarHBondContact O-N 3.43Å; I876-Y879 PolarHBondContact O-N 3.26Å; I876-A880 VanDerWaalsContact O-CB 3.27Å; I876-A880 WeakPolarHBondContact O-CB 3.49Å; I876-A880 PolarHBondContact O-N 3.3Å; I876-I890 HydrophobicContact CG2-CD1 4.38Å; I876-F892 HydrophobicContact CB-CZ 4Å; I876-F892 HydrophobicContact CG1-CZ 4.49Å; I876-F892 HydrophobicContact CG2-CE2 4.33Å; I876-F892 HydrophobicContact CG2-CZ 3.84Å
877Q98.3Very high97.8Very high24 Ų2455.9 Ų55.911%0.11230%0.304CS..Hα-helixtrans-61.9-43.4178-70.5-723.100111.6E873 N875 A880 Q881 I890 F892E873-Q877 HydrophobicContact CG-CG 4.26Å; E873-Q877 VanDerWaalsContact O-CG 3.31Å; E873-Q877 WeakPolarHBondContact O-CG 3.17Å; E873-Q877 PolarHBondContact O-N 2.66Å; N875-Q877 VanDerWaalsContact C-N 3.31Å; N875-Q877 PolarHBondContact O-N 3.15Å; Q877-A880 PolarHBondContact O-N 3.05Å; Q877-Q881 WeakPolarHBondContact O-CB 3.41Å; Q877-Q881 PolarHBondContact O-N 3.01Å; Q877-I890 PolarHBondContact NE2-O 3.03Å; Q877-F892 HydrophobicContact CG-CE2 4.24Å
878Q98.4Very high97.7Very high92 Ų9257.3 Ų57.343%0.4332%0.318SS..Hα-helixtrans-64.4-45177.5-172.361.363.700111.7P874 N875 I876 A880 Q881 N882P874-Q878 WeakPolarHBondContact O-CB 3.32Å; P874-Q878 PolarHBondContact O-N 3.26Å; N875-Q878 PolarHBondContact O-N 2.86Å; I876-Q878 PolarHBondContact O-N 3.43Å; Q878-A880 PolarHBondContact O-N 2.97Å; Q878-Q881 VanDerWaalsContact NE2-OE1 3.15Å; Q878-Q881 PolarHBondContact O-N 3.38Å; Q878-N882 PolarHBondContact NE2-OD1 2.9Å; Q878-N882 PolarHBondContact O-N 3.44Å; Q878-N882 PolarHBondContact O-ND2 2.9Å; Q878-N882 PolarHBondContact O-OD1 3.42Å
879Y98.6Very high97.7Very high43 Ų4355.4 Ų55.417%0.16931%0.309CS..Hα-helixtrans-63.7-40.9176.6-70.5-61.1000112C467 W469 T470 N875 I876 Q881 N882 M883C467-Y879 VanDerWaalsContact O-CE2 3.32Å; C467-Y879 WeakPolarHBondContact O-CE2 3.49Å; W469-Y879 WeakPolarHBondContact CA-OH 3.43Å; W469-Y879 HydrophobicContact CB-CE1 4.18Å; W469-Y879 HydrophobicContact CB-CE2 3.99Å; W469-Y879 HydrophobicContact CD2-CD2 4.03Å; W469-Y879 HydrophobicContact CD2-CE2 4.02Å; W469-Y879 AromaticContact CE3-CD1 3.98Å; W469-Y879 HydrophobicContact CE3-CD1 3.98Å; W469-Y879 AromaticContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CD2 3.32Å; W469-Y879 HydrophobicContact CE3-CE1 4.31Å; W469-Y879 AromaticContact CE3-CE2 3.72Å; W469-Y879 HydrophobicContact CE3-CE2 3.72Å; W469-Y879 AromaticContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CE3-CG 3.51Å; W469-Y879 HydrophobicContact CG-CE2 4.17Å; W469-Y879 AromaticContact CZ3-CD2 3.74Å; W469-Y879 HydrophobicContact CZ3-CD2 3.74Å; W469-Y879 AromaticContact CZ3-CG 3.8Å; W469-Y879 HydrophobicContact CZ3-CG 3.8Å; W469-Y879 PolarHBondContact N-OH 2.96Å; T470-Y879 PolarHBondContact N-OH 3.23Å; N875-Y879 HydrophobicContact CB-CD2 4.47Å; N875-Y879 HydrophobicContact CB-CE2 4.22Å; N875-Y879 WeakPolarHBondContact O-CD2 3.07Å; N875-Y879 PolarHBondContact O-N 3.19Å; I876-Y879 PolarHBondContact O-N 3.26Å; Y879-Q881 VanDerWaalsContact C-N 3.34Å; Y879-Q881 PolarHBondContact O-N 3.48Å; Y879-N882 PolarHBondContact O-N 2.98Å; Y879-M883 VanDerWaalsContact O-CG 3.25Å; Y879-M883 WeakPolarHBondContact O-CG 3.17Å; Y879-M883 PolarHBondContact O-N 3.29Å
880A98.4Very high97.8Very high1 Ų154 Ų541%0.00830%0.299CS..Hα-helixtrans-61.1-41.9174.800000112.1I876 Q877 Q878 M883 G884 L885 I890I876-A880 VanDerWaalsContact O-CB 3.27Å; I876-A880 WeakPolarHBondContact O-CB 3.49Å; I876-A880 PolarHBondContact O-N 3.3Å; Q877-A880 PolarHBondContact O-N 3.05Å; Q878-A880 PolarHBondContact O-N 2.97Å; A880-M883 CarbonylContact O-C 3.29Å; A880-M883 WeakPolarHBondContact O-CA 3.26Å; A880-M883 WeakPolarHBondContact O-CB 3.49Å; A880-M883 PolarHBondContact O-N 3.43Å; A880-M883 VanDerWaalsContact O-N 3.16Å; A880-G884 PolarHBondContact O-N 2.88Å; A880-L885 HydrophobicContact CB-CB 4.31Å; A880-L885 HydrophobicContact CB-CD1 4.22Å; A880-L885 WeakPolarHBondContact O-CB 3.36Å; A880-L885 PolarHBondContact O-N 3.29Å; A880-I890 HydrophobicContact CB-CD1 3.41Å; A880-I890 VanDerWaalsContact CB-CD1 3.41Å
881Q98.2Very high97.8Very high121 Ų12152.9 Ų52.957%0.56529%0.285SS*.Hα-helixtrans-61.3-44.1174.5-170.4-17936.600111.7Q877 Q878 Y879 M883 G884 L885Q877-Q881 WeakPolarHBondContact O-CB 3.41Å; Q877-Q881 PolarHBondContact O-N 3.01Å; Q878-Q881 VanDerWaalsContact NE2-OE1 3.15Å; Q878-Q881 PolarHBondContact O-N 3.38Å; Y879-Q881 VanDerWaalsContact C-N 3.34Å; Y879-Q881 PolarHBondContact O-N 3.48Å; Q881-M883 PolarHBondContact O-N 3.48Å; Q881-G884 WeakPolarHBondContact O-CA 3.42Å; Q881-G884 PolarHBondContact O-N 3.36Å; Q881-L885 WeakPolarHBondContact CA-O 3.47Å
882N98Very high97.9Very high111 Ų11150.2 Ų50.259%0.59427%0.268SS*.Hα-helixtrans-63.2-31.5176.1-63.1-9.5000111.9Q878 Y879 G884Q878-N882 PolarHBondContact NE2-OD1 2.9Å; Q878-N882 PolarHBondContact O-N 3.44Å; Q878-N882 PolarHBondContact O-ND2 2.9Å; Q878-N882 PolarHBondContact O-OD1 3.42Å; Y879-N882 PolarHBondContact O-N 2.98Å; N882-G884 PolarHBondContact O-N 3.23Å
883M98.3Very high97.9Very high29 Ų2950.4 Ų50.414%0.14327%0.269CS..THydrogen-bonded Turntrans-78.71.7172.4-64.9172.3-175.400112.9L848 Q849 A852 K856 Y879 A880 Q881L848-M883 HydrophobicContact CB-CE 4.16Å; L848-M883 HydrophobicContact CB-SD 4.17Å; L848-M883 HydrophobicContact CD2-CE 4.16Å; L848-M883 HydrophobicContact CD2-SD 3.97Å; L848-M883 HydrophobicContact CG-CE 4.28Å; L848-M883 HydrophobicContact CG-SD 3.81Å; Q849-M883 HydrophobicContact CB-CE 4.2Å; Q849-M883 HydrophobicContact CB-SD 4.23Å; A852-M883 HydrophobicContact CB-CB 4.02Å; A852-M883 HydrophobicContact CB-SD 4.3Å; K856-M883 WeakPolarHBondContact CE-O 3.36Å; K856-M883 PolarHBondContact NZ-O 2.92Å; Y879-M883 VanDerWaalsContact O-CG 3.25Å; Y879-M883 WeakPolarHBondContact O-CG 3.17Å; Y879-M883 PolarHBondContact O-N 3.29Å; A880-M883 CarbonylContact O-C 3.29Å; A880-M883 WeakPolarHBondContact O-CA 3.26Å; A880-M883 WeakPolarHBondContact O-CB 3.49Å; A880-M883 PolarHBondContact O-N 3.43Å; A880-M883 VanDerWaalsContact O-N 3.16Å; Q881-M883 PolarHBondContact O-N 3.48Å
884G97.5Very high97.8Very high49 Ų4952.1 Ų52.151%0.50528%0.284SS..THydrogen-bonded Turntrans8325176.500000114.9A880 Q881 N882A880-G884 PolarHBondContact O-N 2.88Å; Q881-G884 WeakPolarHBondContact O-CA 3.42Å; Q881-G884 PolarHBondContact O-N 3.36Å; N882-G884 PolarHBondContact O-N 3.23Å
885L97.7Very high97.7Very high6 Ų651.8 Ų51.83%0.03128%0.28CS..  trans-99.9131170.5-64.3177.1000111.1A852 L855 K856 A880 Q881 I890A852-L885 HydrophobicContact CB-CD1 3.69Å; A852-L885 HydrophobicContact CB-CD2 4.39Å; A852-L885 HydrophobicContact CB-CG 3.93Å; L855-L885 HydrophobicContact CB-CD2 3.8Å; L855-L885 HydrophobicContact CD1-CD1 3.67Å; L855-L885 HydrophobicContact CD1-CD2 4.28Å; K856-L885 HydrophobicContact CG-CD2 4.18Å; A880-L885 HydrophobicContact CB-CB 4.31Å; A880-L885 HydrophobicContact CB-CD1 4.22Å; A880-L885 WeakPolarHBondContact O-CB 3.36Å; A880-L885 PolarHBondContact O-N 3.29Å; Q881-L885 WeakPolarHBondContact CA-O 3.47Å; L885-I890 HydrophobicContact CD1-CD1 4.41Å
886P96.4Very high97.5Very high73 Ų7350.4 Ų50.447%0.47428%0.275SS..  trans-70.1153.4169.122-24.4000111.7N888 R889P886-N888 WeakPolarHBondContact CB-OD1 3.12Å; P886-N888 WeakPolarHBondContact CG-OD1 3.32Å; P886-N888 PolarHBondContact O-N 3.4Å; P886-N888 VanDerWaalsContact O-N 3.16Å; P886-R889 HydrophobicContact CG-CG 3.69Å; P886-R889 VanDerWaalsContact O-CB 3.31Å; P886-R889 WeakPolarHBondContact O-CB 3.41Å; P886-R889 VanDerWaalsContact O-CG 3.31Å; P886-R889 WeakPolarHBondContact O-CG 3.49Å; P886-R889 PolarHBondContact O-N 3.39Å
887Q94Very high97.5Very high141 Ų14152.4 Ų52.466%0.65929%0.288SS*.G310 helixtrans-56.3-34.9-174.6-170.3-178.57.200113.2R889 I890Q887-R889 PolarHBondContact O-N 3.24Å; Q887-R889 VanDerWaalsContact O-N 3.11Å; Q887-I890 PolarHBondContact O-N 3.46Å; Q887-I890 VanDerWaalsContact O-N 3.13Å; Q887-I890 VanDerWaalsContact O-O 3.11Å
888N95.4Very high97.4Very high114 Ų11452.9 Ų52.961%0.6129%0.29SS*.G310 helixtrans-66.2-10.6178.969.5-25.6000114.1P886 I890P886-N888 WeakPolarHBondContact CB-OD1 3.12Å; P886-N888 WeakPolarHBondContact CG-OD1 3.32Å; P886-N888 PolarHBondContact O-N 3.4Å; P886-N888 VanDerWaalsContact O-N 3.16Å; N888-I890 VanDerWaalsContact C-N 3.33Å
889R98.2Very high97.4Very high34 Ų3448.5 Ų48.513%0.12827%0.269CS..G310 helixtrans-78.8-16.9174.6-54.6-58.9-60.4-81.90.3112.8L855 V858 S861 V862 L863 P886 Q887L855-R889 HydrophobicContact CD1-CB 4.4Å; L855-R889 PolarHBondContact O-NH1 3.01Å; L855-R889 PolarHBondContact O-NH2 3.47Å; V858-R889 PolarHBondContact O-NH2 3.46Å; S861-R889 PolarHBondContact O-NE 3.49Å; S861-R889 PolarHBondContact O-NH2 2.98Å; S861-R889 PolarHBondContact OG-NH2 3.29Å; V862-R889 CarbonylContact C-O 3.41Å; V862-R889 VanDerWaalsContact CA-O 3.3Å; V862-R889 WeakPolarHBondContact CA-O 3.37Å; L863-R889 PolarHBondContact N-O 3.07Å; P886-R889 HydrophobicContact CG-CG 3.69Å; P886-R889 VanDerWaalsContact O-CB 3.31Å; P886-R889 WeakPolarHBondContact O-CB 3.41Å; P886-R889 VanDerWaalsContact O-CG 3.31Å; P886-R889 WeakPolarHBondContact O-CG 3.49Å; P886-R889 PolarHBondContact O-N 3.39Å; Q887-R889 PolarHBondContact O-N 3.24Å; Q887-R889 VanDerWaalsContact O-N 3.11Å
890I98.5Very high97.4Very high6 Ų647.3 Ų47.33%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-123.5117.1179.4-53.3-175.4000109.5L863 L865 I876 Q877 A880 L885 Q887 N888 F892L863-I890 HydrophobicContact CB-CG1 4.43Å; L863-I890 CarbonylContact O-C 3.53Å; L863-I890 WeakPolarHBondContact O-CA 3.48Å; L865-I890 HydrophobicContact CD1-CG2 3.86Å; L865-I890 HydrophobicContact CG-CG2 4.2Å; I876-I890 HydrophobicContact CG2-CD1 4.38Å; Q877-I890 PolarHBondContact NE2-O 3.03Å; A880-I890 HydrophobicContact CB-CD1 3.41Å; A880-I890 VanDerWaalsContact CB-CD1 3.41Å; L885-I890 HydrophobicContact CD1-CD1 4.41Å; Q887-I890 PolarHBondContact O-N 3.46Å; Q887-I890 VanDerWaalsContact O-N 3.13Å; Q887-I890 VanDerWaalsContact O-O 3.11Å; N888-I890 VanDerWaalsContact C-N 3.33Å; I890-F892 HydrophobicContact CG2-CD2 3.94Å; I890-F892 HydrophobicContact CG2-CE2 3.44Å; I890-F892 VanDerWaalsContact CG2-CE2 3.44Å; I890-F892 HydrophobicContact CG2-CZ 4.17Å
891I98.6Very high97.4Very high31 Ų3148.2 Ų48.216%0.15927%0.27CS..EExtended strand (participates in β ladder)trans-108.1131-179.3-62.3170.4000108.4L827 V862 L863 W864 L865L827-I891 HydrophobicContact CD2-CB 4.27Å; L827-I891 HydrophobicContact CD2-CD1 3.8Å; L827-I891 HydrophobicContact CD2-CG2 4.09Å; V862-I891 HydrophobicContact CB-CD1 4.21Å; V862-I891 HydrophobicContact CG1-CD1 4.32Å; V862-I891 HydrophobicContact CG2-CD1 4.08Å; L863-I891 PolarHBondContact O-N 3.35Å; W864-I891 WeakPolarHBondContact CA-O 3.48Å; L865-I891 PolarHBondContact N-O 2.83Å
892F98.6Very high97.4Very high14 Ų1442.5 Ų42.56%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-109.7132.1178.1-81.1-94.1000111.6L840 L865 R867 E873 I876 Q877 I890L840-F892 HydrophobicContact CD2-CE1 4.45Å; L865-F892 HydrophobicContact CB-CD1 3.93Å; L865-F892 HydrophobicContact CB-CE1 3.68Å; L865-F892 HydrophobicContact CB-CG 4.49Å; L865-F892 HydrophobicContact CB-CZ 4.03Å; L865-F892 HydrophobicContact CD1-CE1 4.16Å; L865-F892 HydrophobicContact CD1-CE2 4.39Å; L865-F892 HydrophobicContact CD1-CZ 3.77Å; L865-F892 WeakPolarHBondContact O-CA 3.41Å; R867-F892 HydrophobicContact CG-CB 4.13Å; R867-F892 HydrophobicContact CG-CD1 4.26Å; R867-F892 PolarHBondContact NH1-O 3.33Å; R867-F892 PolarHBondContact NH2-O 2.92Å; E873-F892 HydrophobicContact CB-CD1 4.31Å; E873-F892 HydrophobicContact CB-CE1 4.27Å; E873-F892 HydrophobicContact CB-CG 4.46Å; E873-F892 HydrophobicContact CB-CZ 4.37Å; E873-F892 HydrophobicContact CG-CB 4.44Å; E873-F892 HydrophobicContact CG-CD1 4.2Å; E873-F892 HydrophobicContact CG-CD2 3.68Å; E873-F892 HydrophobicContact CG-CE1 4.36Å; E873-F892 HydrophobicContact CG-CE2 3.86Å; E873-F892 HydrophobicContact CG-CG 3.86Å; E873-F892 HydrophobicContact CG-CZ 4.19Å; I876-F892 HydrophobicContact CB-CZ 4Å; I876-F892 HydrophobicContact CG1-CZ 4.49Å; I876-F892 HydrophobicContact CG2-CE2 4.33Å; I876-F892 HydrophobicContact CG2-CZ 3.84Å; Q877-F892 HydrophobicContact CG-CE2 4.24Å; I890-F892 HydrophobicContact CG2-CD2 3.94Å; I890-F892 HydrophobicContact CG2-CE2 3.44Å; I890-F892 VanDerWaalsContact CG2-CE2 3.44Å; I890-F892 HydrophobicContact CG2-CZ 4.17Å
893S97.9Very high97.5Very high4 Ų437.2 Ų37.23%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-115.5155.2170.9-69.80000112.2W864 L865 L866 R867W864-S893 VanDerWaalsContact NE1-CB 3.35Å; W864-S893 PolarHBondContact NE1-OG 3.25Å; L865-S893 PolarHBondContact O-N 2.91Å; L866-S893 WeakPolarHBondContact CA-O 3.37Å; R867-S893 PolarHBondContact N-O 2.93Å
894P97.3Very high97.5Very high76 Ų7635.9 Ų35.949%0.49421%0.208SC..  trans-62.5157.6170.428.8-35000111.4R904P894-R904 PolarHBondContact O-NH1 3Å; P894-R904 PolarHBondContact O-NH2 3.08Å; P894-R904 VanDerWaalsContact O-NH2 3.11Å
895V95.5Very high97.5Very high74 Ų7433.6 Ų33.645%0.44819%0.185SC..  trans-59.9136.9163.2-178.30000107.8F868F868-V895 HydrophobicContact CB-CG2 4.04Å; F868-V895 HydrophobicContact CD1-CG2 4.01Å; F868-V895 HydrophobicContact CD2-CG2 4.12Å; F868-V895 HydrophobicContact CE1-CG2 4.46Å; F868-V895 HydrophobicContact CG-CG2 3.81Å
896A96.1Very high97.6Very high16 Ų1633.3 Ų33.313%0.13218%0.183CC..  trans-118.6159.6-177.100000110.4E900A896-E900 HydrophobicContact CB-CB 4.09Å; A896-E900 HydrophobicContact CB-CG 4.01Å; A896-E900 WeakPolarHBondContact CB-OE1 3.41Å
897P96.9Very high97.7Very high42 Ų4229.9 Ų29.927%0.27316%0.161SC..  trans-51.9154.3168.7-23.633.3000111.7T801 A808 E899 E900 H901T801-P897 HydrophobicContact CG2-CB 4.42Å; T801-P897 HydrophobicContact CG2-CG 3.54Å; A808-P897 HydrophobicContact CB-CB 3.95Å; A808-P897 HydrophobicContact CB-CG 4.33Å; A808-P897 VanDerWaalsContact O-CB 3.23Å; A808-P897 WeakPolarHBondContact O-CB 3.48Å; P897-E899 VanDerWaalsContact C-N 3.33Å; P897-E899 PolarHBondContact O-N 3.14Å; P897-E900 PolarHBondContact O-N 2.94Å; P897-E900 VanDerWaalsContact O-N 3.14Å; P897-H901 WeakPolarHBondContact O-CB 3.47Å; P897-H901 PolarHBondContact O-N 2.63Å
898K97.9Very high97.9Very high33 Ų3323.1 Ų23.114%0.14313%0.129CC..Hα-helixtrans-57.7-42.7-169.2-173.667.2-176.3176.90113F702 A808 H901 V902 D925F702-K898 HydrophobicContact CE2-CG 4.22Å; F702-K898 HydrophobicContact CZ-CB 4.38Å; F702-K898 HydrophobicContact CZ-CG 3.7Å; A808-K898 PolarHBondContact O-N 3.47Å; K898-H901 PolarHBondContact O-N 3.32Å; K898-V902 WeakPolarHBondContact O-CG2 3.21Å; K898-V902 PolarHBondContact O-N 2.98Å; K898-V902 VanDerWaalsContact O-N 3.11Å; K898-D925 WeakPolarHBondContact CE-OD1 3.19Å; K898-D925 IonicContact NZ-OD1 3.21Å; K898-D925 PolarHBondContact NZ-OD1 3.19Å; K898-D925 IonicContact NZ-OD2 2.66Å; K898-D925 PolarHBondContact NZ-OD2 2.86Å
899E98.5Very high98.1Very high0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-61.5-48.9177.9-172-78.5155.700111.4F702 H704 A807 A808 P814 P897 H901 V902 R903F702-E899 HydrophobicContact CD1-CB 4.2Å; F702-E899 HydrophobicContact CD1-CG 3.97Å; F702-E899 HydrophobicContact CE1-CB 3.75Å; F702-E899 HydrophobicContact CE1-CG 4.05Å; H704-E899 IonicContact CD2-OE1 3.75Å; H704-E899 IonicContact CE1-OE1 3.16Å; H704-E899 IonicContact NE2-OE1 2.62Å; H704-E899 PolarHBondContact NE2-OE1 3.4Å; A807-E899 WeakPolarHBondContact O-CB 3.42Å; A808-E899 VanDerWaalsContact O-CB 3.32Å; A808-E899 WeakPolarHBondContact O-CB 3.4Å; A808-E899 PolarHBondContact O-N 2.89Å; P814-E899 HydrophobicContact CG-CG 3.91Å; P897-E899 VanDerWaalsContact C-N 3.33Å; P897-E899 PolarHBondContact O-N 3.14Å; E899-H901 VanDerWaalsContact C-N 3.33Å; E899-H901 PolarHBondContact O-N 3.47Å; E899-V902 PolarHBondContact O-N 3.38Å; E899-R903 VanDerWaalsContact CD-NE 3.33Å; E899-R903 VanDerWaalsContact O-CB 3.23Å; E899-R903 WeakPolarHBondContact O-CB 3.48Å; E899-R903 PolarHBondContact O-N 3.39Å; E899-R903 WeakPolarHBondContact OE1-CD 3.5Å; E899-R903 IonicContact OE1-CZ 2.66Å; E899-R903 IonicContact OE1-NE 3.71Å; E899-R903 PolarHBondContact OE1-NE 3.16Å; E899-R903 IonicContact OE2-CZ 3.48Å; E899-R903 VanDerWaalsContact OE2-CZ 3.3Å; E899-R903 IonicContact OE2-NE 2.67Å; E899-R903 PolarHBondContact OE2-NE 3.06Å; E899-R903 IonicContact OE2-NH2 3.08Å; E899-R903 PolarHBondContact OE2-NH2 3.47Å
900E98.5Very high98.1Very high18 Ų1816.2 Ų16.28%0.08410%0.095CC..Hα-helixtrans-64.6-40179.4-176.3-169.9134.600111.2Y825 A896 P897 V902 R903 R904Y825-E900 WeakPolarHBondContact OH-CG 3.42Å; Y825-E900 PolarHBondContact OH-OE1 2.96Å; A896-E900 HydrophobicContact CB-CB 4.09Å; A896-E900 HydrophobicContact CB-CG 4.01Å; A896-E900 WeakPolarHBondContact CB-OE1 3.41Å; P897-E900 PolarHBondContact O-N 2.94Å; P897-E900 VanDerWaalsContact O-N 3.14Å; E900-V902 PolarHBondContact O-N 3.47Å; E900-R903 PolarHBondContact O-N 3.13Å; E900-R904 VanDerWaalsContact O-CB 3.26Å; E900-R904 WeakPolarHBondContact O-CB 3.43Å; E900-R904 VanDerWaalsContact O-CG 3.26Å; E900-R904 WeakPolarHBondContact O-CG 3.23Å; E900-R904 PolarHBondContact O-N 3.3Å
901H97.9Very high98.1Very high21 Ų2116 Ų1610%0.0979%0.094CC..Hα-helixtrans-57.3-47.5177179.1100.4000111.8F837 P897 K898 E899 D925F837-H901 VanDerWaalsContact CB-CE1 3.45Å; F837-H901 WeakPolarHBondContact CB-CE1 3.39Å; P897-H901 WeakPolarHBondContact O-CB 3.47Å; P897-H901 PolarHBondContact O-N 2.63Å; K898-H901 PolarHBondContact O-N 3.32Å; E899-H901 VanDerWaalsContact C-N 3.33Å; E899-H901 PolarHBondContact O-N 3.47Å; H901-D925 IonicContact CD2-OD2 3.16Å; H901-D925 PolarHBondContact CD2-OD2 3.44Å; H901-D925 IonicContact NE2-OD2 2.83Å; H901-D925 PolarHBondContact NE2-OD2 3.36Å
902V98.7Very high98.1Very high1 Ų114.6 Ų14.61%0.0069%0.087CC..Hα-helixtrans-68.4-48.8176.9177.60000110F702 L705 K898 E899 E900 R904 G905 D925 W928F702-V902 HydrophobicContact CD2-CB 4.44Å; F702-V902 HydrophobicContact CD2-CG1 4.3Å; F702-V902 HydrophobicContact CD2-CG2 4.18Å; F702-V902 HydrophobicContact CE2-CG2 3.87Å; L705-V902 HydrophobicContact CD1-CB 4.45Å; L705-V902 HydrophobicContact CD1-CG1 3.8Å; K898-V902 WeakPolarHBondContact O-CG2 3.21Å; K898-V902 PolarHBondContact O-N 2.98Å; K898-V902 VanDerWaalsContact O-N 3.11Å; E899-V902 PolarHBondContact O-N 3.38Å; E900-V902 PolarHBondContact O-N 3.47Å; V902-R904 PolarHBondContact O-N 3.47Å; V902-G905 PolarHBondContact O-N 3.07Å; V902-G905 VanDerWaalsContact O-N 3.12Å; V902-D925 HydrophobicContact CG2-CB 3.88Å; V902-W928 HydrophobicContact CG1-CB 4.4Å
903R98.7Very high98.1Very high0 Ų014 Ų140%08%0.084CC..Hα-helixtrans-59.8-44-176.9175.1167.346.6731.1112.5L705 G797 T800 T820 E899 E900 G905 Q906L705-R903 HydrophobicContact CD1-CB 4.22Å; L705-R903 HydrophobicContact CD2-CB 4.17Å; L705-R903 HydrophobicContact CD2-CG 4.12Å; G797-R903 PolarHBondContact O-NH2 2.93Å; T800-R903 PolarHBondContact OG1-NH2 3.29Å; T820-R903 HydrophobicContact CG2-CG 4.48Å; T820-R903 WeakPolarHBondContact OG1-CD 3.4Å; T820-R903 PolarHBondContact OG1-NH1 3.3Å; E899-R903 VanDerWaalsContact CD-NE 3.33Å; E899-R903 VanDerWaalsContact O-CB 3.23Å; E899-R903 WeakPolarHBondContact O-CB 3.48Å; E899-R903 PolarHBondContact O-N 3.39Å; E899-R903 WeakPolarHBondContact OE1-CD 3.5Å; E899-R903 IonicContact OE1-CZ 2.66Å; E899-R903 IonicContact OE1-NE 3.71Å; E899-R903 PolarHBondContact OE1-NE 3.16Å; E899-R903 IonicContact OE2-CZ 3.48Å; E899-R903 VanDerWaalsContact OE2-CZ 3.3Å; E899-R903 IonicContact OE2-NE 2.67Å; E899-R903 PolarHBondContact OE2-NE 3.06Å; E899-R903 IonicContact OE2-NH2 3.08Å; E899-R903 PolarHBondContact OE2-NH2 3.47Å; E900-R903 PolarHBondContact O-N 3.13Å; R903-G905 PolarHBondContact O-N 2.59Å; R903-Q906 VanDerWaalsContact O-CB 3.28Å; R903-Q906 WeakPolarHBondContact O-CB 3.3Å; R903-Q906 WeakPolarHBondContact O-CG 3.49Å; R903-Q906 PolarHBondContact O-N 3.17Å; R903-Q906 VanDerWaalsContact O-N 3.12Å; R903-Q906 PolarHBondContact O-NE2 3.39Å
904R98.5Very high98.2Very high0 Ų013.8 Ų13.80%08%0.083CC..Hα-helixtrans-70.1-19.8-179.582.4-175.1176.7-179.2-4.8112.7Y825 F837 W864 P894 E900 V902 Q906 L907Y825-R904 HydrophobicContact CE2-CB 4.05Å; F837-R904 HydrophobicContact CE2-CG 4.31Å; W864-R904 HydrophobicContact CH2-CB 3.86Å; W864-R904 HydrophobicContact CH2-CG 3.68Å; W864-R904 HydrophobicContact CZ2-CG 4.29Å; W864-R904 HydrophobicContact CZ3-CG 4.4Å; W864-R904 WeakPolarHBondContact CZ3-O 3.46Å; P894-R904 PolarHBondContact O-NH1 3Å; P894-R904 PolarHBondContact O-NH2 3.08Å; P894-R904 VanDerWaalsContact O-NH2 3.11Å; E900-R904 VanDerWaalsContact O-CB 3.26Å; E900-R904 WeakPolarHBondContact O-CB 3.43Å; E900-R904 VanDerWaalsContact O-CG 3.26Å; E900-R904 WeakPolarHBondContact O-CG 3.23Å; E900-R904 PolarHBondContact O-N 3.3Å; V902-R904 PolarHBondContact O-N 3.47Å; R904-Q906 PolarHBondContact O-N 3.14Å; R904-Q906 VanDerWaalsContact O-N 3.16Å; R904-L907 WeakPolarHBondContact O-CB 3.48Å; R904-L907 PolarHBondContact O-N 3.49Å
905G98.4Very high98.2Very high2 Ų211 Ų112%0.0216%0.064CC..G310 helixtrans-57.1-23.8168.800000113.6V902 R903 L907 A908 T931V902-G905 PolarHBondContact O-N 3.07Å; V902-G905 VanDerWaalsContact O-N 3.12Å; R903-G905 PolarHBondContact O-N 2.59Å; G905-L907 PolarHBondContact O-N 2.96Å; G905-A908 PolarHBondContact O-N 2.92Å; G905-T931 PolarHBondContact O-OG1 3.25Å
906Q98.6Very high98.3Very high0 Ų09.1 Ų9.10%05%0.052CC..G310 helixtrans-65.8-26.9174.7-67.4174.899.800112.7N722 N727 R903 R904 A908 A929N722-Q906 WeakPolarHBondContact CB-O 3.28Å; N727-Q906 PolarHBondContact ND2-OE1 3.17Å; N727-Q906 PolarHBondContact OD1-NE2 3.43Å; R903-Q906 VanDerWaalsContact O-CB 3.28Å; R903-Q906 WeakPolarHBondContact O-CB 3.3Å; R903-Q906 WeakPolarHBondContact O-CG 3.49Å; R903-Q906 PolarHBondContact O-N 3.17Å; R903-Q906 VanDerWaalsContact O-N 3.12Å; R903-Q906 PolarHBondContact O-NE2 3.39Å; R904-Q906 PolarHBondContact O-N 3.14Å; R904-Q906 VanDerWaalsContact O-N 3.16Å; Q906-A908 VanDerWaalsContact C-N 3.34Å; Q906-A929 HydrophobicContact CG-CB 3.86Å; Q906-A929 WeakPolarHBondContact CG-O 3.46Å
907L98.7Very high98.4Very high0 Ų08.4 Ų8.40%05%0.046CC..G310 helixtrans-73.7-26-176.8-59.1-177.1000113.1N722 V725 T820 T821 R822 Y825 W864 R904 G905N722-L907 PolarHBondContact ND2-O 3.5Å; N722-L907 WeakPolarHBondContact O-CA 3.41Å; N722-L907 WeakPolarHBondContact O-CD2 3.25Å; V725-L907 HydrophobicContact CG2-CD2 4Å; T820-L907 HydrophobicContact CG2-CD1 3.91Å; T820-L907 HydrophobicContact CG2-CD2 4.24Å; T820-L907 HydrophobicContact CG2-CG 4.15Å; T821-L907 VanDerWaalsContact O-CD1 3.22Å; T821-L907 WeakPolarHBondContact O-CD1 3.45Å; R822-L907 HydrophobicContact CG-CB 4.21Å; R822-L907 PolarHBondContact NE-O 2.99Å; R822-L907 PolarHBondContact NH2-O 3.22Å; Y825-L907 HydrophobicContact CD2-CD1 3.63Å; Y825-L907 HydrophobicContact CE2-CD1 3.65Å; W864-L907 HydrophobicContact CH2-CD1 4.34Å; W864-L907 HydrophobicContact CZ3-CB 4.19Å; R904-L907 WeakPolarHBondContact O-CB 3.48Å; R904-L907 PolarHBondContact O-N 3.49Å; G905-L907 PolarHBondContact O-N 2.96Å
908A98.7Very high98.5Very high0 Ų06.4 Ų6.40%03%0.033CC..  trans-72.9153.5175.300000110.8N722 V833 C835 G905 Q906 T931 R984N722-A908 PolarHBondContact ND2-O 2.95Å; V833-A908 HydrophobicContact CG1-CB 4.33Å; C835-A908 HydrophobicContact CB-CB 3.76Å; C835-A908 WeakPolarHBondContact SG-CB 3.05Å; G905-A908 PolarHBondContact O-N 2.92Å; Q906-A908 VanDerWaalsContact C-N 3.34Å; A908-T931 HydrophobicContact CB-CG2 4.34Å; A908-R984 PolarHBondContact O-NH1 2.68Å
909D98.7Very high98.4Very high2 Ų24.9 Ų4.91%0.0113%0.026CC..SBendtrans-85.7-44.9175.2-64.5-66.6000110.5N722 R723 R822 I832 V833 L980 R984N722-D909 PolarHBondContact ND2-OD1 3.33Å; R723-D909 IonicContact NH1-OD1 3.86Å; R723-D909 PolarHBondContact NH1-OD1 3.36Å; R723-D909 IonicContact NH1-OD2 3.02Å; R822-D909 IonicContact CZ-OD2 3.91Å; R822-D909 IonicContact NH1-OD2 2.87Å; R822-D909 VanDerWaalsContact NH2-CG 3.31Å; R822-D909 IonicContact NH2-OD1 3.58Å; R822-D909 PolarHBondContact NH2-OD1 3.02Å; R822-D909 IonicContact NH2-OD2 2.63Å; R822-D909 PolarHBondContact NH2-OD2 3.09Å; I832-D909 VanDerWaalsContact CA-OD2 3.31Å; I832-D909 WeakPolarHBondContact CA-OD2 3.48Å; I832-D909 HydrophobicContact CD1-CB 4.17Å; I832-D909 HydrophobicContact CG2-CB 4.24Å; V833-D909 PolarHBondContact N-OD2 2.99Å; V833-D909 PolarHBondContact O-N 3.07Å; D909-L980 HydrophobicContact CB-CD2 4.07Å; D909-R984 PolarHBondContact O-NH1 3.3Å
910V98.9Very high98.4Very high0 Ų06.1 Ų6.10%03%0.032CC..EExtended strand (participates in β ladder)trans-144.3138.5-175.8-179.50000110.4V833 Y834 C835 L912 P932 V934 L973 L980V833-V910 PolarHBondContact O-N 3.2Å; Y834-V910 CarbonylContact C-O 3.54Å; Y834-V910 VanDerWaalsContact CA-O 3.23Å; Y834-V910 WeakPolarHBondContact CA-O 3.32Å; Y834-V910 HydrophobicContact CD1-CB 3.7Å; Y834-V910 HydrophobicContact CD1-CG1 4Å; Y834-V910 HydrophobicContact CE1-CB 3.82Å; Y834-V910 HydrophobicContact CE1-CG1 4.02Å; Y834-V910 HydrophobicContact CE1-CG2 4.2Å; C835-V910 PolarHBondContact N-O 3.09Å; V910-L912 HydrophobicContact CG1-CD2 4.37Å; V910-P932 CarbonylContact C-O 3.49Å; V910-P932 WeakPolarHBondContact CA-O 3.39Å; V910-V934 HydrophobicContact CG1-CG2 3.91Å; V910-L973 HydrophobicContact CG1-CD1 4.13Å; V910-L973 HydrophobicContact CG2-CB 3.76Å; V910-L973 HydrophobicContact CG2-CD1 4.23Å; V910-L980 HydrophobicContact CG2-CD1 3.7Å
911C98.9Very high98.3Very high3 Ų36.7 Ų6.72%0.024%0.037CC..EExtended strand (participates in β ladder)trans-91.9132.3168.4-174.50000110.5C835 V926 T931 P932 M933 V934C835-C911 CarbonylContact O-C 3.42Å; C835-C911 VanDerWaalsContact O-CA 3.3Å; C835-C911 WeakPolarHBondContact O-CA 3.43Å; C911-V926 HydrophobicContact CB-CB 4.33Å; C911-V926 HydrophobicContact CB-CG1 3.96Å; C911-V926 HydrophobicContact CB-CG2 3.61Å; C911-T931 HydrophobicContact CB-CG2 4.48Å; C911-P932 PolarHBondContact N-O 2.96Å; C911-M933 HydrophobicContact CB-CB 4Å; C911-M933 HydrophobicContact CB-CG 4.06Å; C911-M933 CarbonylContact O-C 3.53Å; C911-M933 VanDerWaalsContact O-CA 3.31Å; C911-M933 WeakPolarHBondContact O-CA 3.4Å; C911-V934 PolarHBondContact O-N 3.07Å
912L98.9Very high98.2Very high1 Ų16.4 Ų6.41%0.0054%0.037CC..EExtended strand (participates in β ladder)trans-101.2103.6175.6-65.8-174.7000108.3Y834 C835 N836 W851 I854 L863 V910 Y966 A970Y834-L912 HydrophobicContact CD1-CD1 3.87Å; Y834-L912 HydrophobicContact CD1-CD2 3.62Å; Y834-L912 HydrophobicContact CD1-CG 3.68Å; Y834-L912 HydrophobicContact CE1-CD2 4.03Å; Y834-L912 HydrophobicContact CG-CD1 3.88Å; Y834-L912 HydrophobicContact CG-CD2 4.46Å; Y834-L912 HydrophobicContact CG-CG 4.11Å; C835-L912 PolarHBondContact O-N 3.27Å; N836-L912 WeakPolarHBondContact CB-O 3.49Å; N836-L912 PolarHBondContact ND2-O 3.41Å; W851-L912 HydrophobicContact CD2-CD1 4.42Å; W851-L912 HydrophobicContact CG-CD1 3.99Å; W851-L912 HydrophobicContact CZ2-CB 4.18Å; I854-L912 HydrophobicContact CD1-CD1 4.32Å; I854-L912 HydrophobicContact CD1-CD2 4.33Å; L863-L912 HydrophobicContact CD1-CD1 4.2Å; V910-L912 HydrophobicContact CG1-CD2 4.37Å; L912-Y966 VanDerWaalsContact CA-OH 3.27Å; L912-Y966 WeakPolarHBondContact CA-OH 3.32Å; L912-Y966 VanDerWaalsContact CB-OH 3.3Å; L912-Y966 WeakPolarHBondContact CB-OH 3.41Å; L912-Y966 HydrophobicContact CD2-CE1 4.16Å; L912-A970 HydrophobicContact CD2-CB 3.84Å
913D98.8Very high98.2Very high1 Ų16.4 Ų6.41%0.0054%0.036CC..  trans-70.8158.5178.6-17440.6000112.3N918 G919 M933 V934 T935 A946 Y966D913-N918 VanDerWaalsContact OD1-CA 3.31Å; D913-N918 WeakPolarHBondContact OD1-CA 3.4Å; D913-N918 WeakPolarHBondContact OD2-CB 3.47Å; D913-N918 VanDerWaalsContact OD2-CG 3.25Å; D913-N918 PolarHBondContact OD2-ND2 3.2Å; D913-G919 PolarHBondContact OD1-N 3.16Å; D913-M933 HydrophobicContact CB-CG 3.94Å; D913-M933 HydrophobicContact CB-SD 3.99Å; D913-V934 WeakPolarHBondContact CB-O 3.44Å; D913-V934 PolarHBondContact N-O 3.02Å; D913-T935 WeakPolarHBondContact OD2-CB 3.4Å; D913-T935 PolarHBondContact OD2-OG1 3.23Å; D913-A946 VanDerWaalsContact OD2-CB 3.29Å; D913-A946 WeakPolarHBondContact OD2-CB 3.42Å; D913-Y966 PolarHBondContact N-OH 2.91Å; D913-Y966 PolarHBondContact O-OH 2.95Å
914T98.7Very high98.2Very high0 Ų06.4 Ų6.40%04%0.036CC..  trans-96.6114.1178.434.20000110.5K842 I843 T847 W851 L916 C917 N918K842-T914 HydrophobicContact CB-CG2 4.16Å; K842-T914 WeakPolarHBondContact O-CB 3.26Å; K842-T914 WeakPolarHBondContact O-CG2 3.21Å; I843-T914 HydrophobicContact CG1-CG2 4.18Å; T847-T914 HydrophobicContact CG2-CG2 4.2Å; W851-T914 HydrophobicContact CH2-CG2 3.85Å; W851-T914 HydrophobicContact CZ2-CG2 3.88Å; T914-L916 VanDerWaalsContact C-N 3.28Å; T914-L916 PolarHBondContact O-N 2.72Å; T914-C917 WeakPolarHBondContact CB-O 3.39Å; T914-C917 CarbonylContact O-C 3.26Å; T914-C917 PolarHBondContact O-N 3.13Å; T914-C917 PolarHBondContact OG1-O 3.46Å; T914-N918 PolarHBondContact O-N 2.95Å; T914-N918 PolarHBondContact O-ND2 2.88Å
915P98.4Very high98.2Very high16 Ų166.6 Ų6.610%0.1044%0.038CC..SBendtrans-64.7-27.1-177.9-2535.3000114.9M850 M936 S943M850-P915 HydrophobicContact CE-CG 4.03Å; P915-M936 HydrophobicContact CB-CB 4.47Å; P915-M936 HydrophobicContact CB-CE 3.72Å; P915-M936 HydrophobicContact CG-CB 4.23Å; P915-M936 HydrophobicContact CG-CE 3.95Å; P915-S943 WeakPolarHBondContact O-CB 3.47Å
916L97Very high98.2Very high36 Ų366.8 Ų6.819%0.1884%0.038CC..SBendtrans-62.8-45.4178179.263.4000111.8M501 L502 D844 T914M501-L916 WeakPolarHBondContact O-CD1 3.5Å; L502-L916 HydrophobicContact CD2-CD2 4.34Å; D844-L916 HydrophobicContact CB-CD2 4.26Å; T914-L916 VanDerWaalsContact C-N 3.28Å; T914-L916 PolarHBondContact O-N 2.72Å
917C98.2Very high98.2Very high1 Ų16.8 Ų6.81%0.0074%0.038CC..SBendtrans-149.2120.6176170.40000107.2M501 K842 T914M501-C917 HydrophobicContact CE-CB 3.36Å; M501-C917 WeakPolarHBondContact CE-SG 3.41Å; K842-C917 HydrophobicContact CB-CB 4.32Å; K842-C917 HydrophobicContact CD-CB 3.89Å; K842-C917 WeakPolarHBondContact CD-O 3.44Å; K842-C917 WeakPolarHBondContact CD-SG 3.5Å; K842-C917 WeakPolarHBondContact CE-SG 3.33Å; K842-C917 HydrophobicContact CG-CB 3.98Å; T914-C917 WeakPolarHBondContact CB-O 3.39Å; T914-C917 CarbonylContact O-C 3.26Å; T914-C917 PolarHBondContact O-N 3.13Å; T914-C917 PolarHBondContact OG1-O 3.46Å
918N98.5Very high98.2Very high0 Ų06.9 Ų6.90%04%0.038CC..  trans-70.8165.2-176.6-56150.4000112.6K842 D913 T914 H920 A942 S943 R944 V945 A946K842-N918 PolarHBondContact NZ-O 3.45Å; D913-N918 VanDerWaalsContact OD1-CA 3.31Å; D913-N918 WeakPolarHBondContact OD1-CA 3.4Å; D913-N918 WeakPolarHBondContact OD2-CB 3.47Å; D913-N918 VanDerWaalsContact OD2-CG 3.25Å; D913-N918 PolarHBondContact OD2-ND2 3.2Å; T914-N918 PolarHBondContact O-N 2.95Å; T914-N918 PolarHBondContact O-ND2 2.88Å; N918-H920 PolarHBondContact O-CD2 2.93Å; N918-H920 PolarHBondContact O-N 3.29Å; N918-H920 VanDerWaalsContact O-N 3.14Å; N918-A942 PolarHBondContact N-O 3.42Å; N918-S943 VanDerWaalsContact CG-C 3.47Å; N918-S943 PolarHBondContact ND2-O 2.93Å; N918-S943 PolarHBondContact OD1-O 3.37Å; N918-S943 VanDerWaalsContact OD1-O 3.07Å; N918-R944 VanDerWaalsContact OD1-CA 3.31Å; N918-R944 WeakPolarHBondContact OD1-CA 3.44Å; N918-R944 PolarHBondContact OD1-N 3.09Å; N918-V945 HydrophobicContact CB-CB 4.47Å; N918-V945 PolarHBondContact OD1-N 2.74Å; N918-A946 HydrophobicContact CB-CB 3.66Å; N918-A946 PolarHBondContact OD1-N 2.99Å
919G96.1Very high98.2Very high0 Ų06.9 Ų6.90%04%0.038CC..  trans-66.698.3158.900000110.9N838 D913 G923N838-G919 WeakPolarHBondContact OD1-CA 3.41Å; D913-G919 PolarHBondContact OD1-N 3.16Å; G919-G923 WeakPolarHBondContact O-CA 3.33Å; G919-G923 PolarHBondContact O-N 3.25Å
920H97.8Very high98.2Very high26 Ų266.8 Ų6.812%0.124%0.038CC..SBendtrans-74.3-77.2173.5-58.1165.4000109.1P656 F694 N918 G923 M924 A942 V945 Q949P656-H920 VanDerWaalsContact CB-CE1 3.41Å; P656-H920 WeakPolarHBondContact CB-CE1 3.46Å; F694-H920 HydrophobicContact CE1-CB 4.48Å; F694-H920 WeakPolarHBondContact CE1-O 3.45Å; F694-H920 HydrophobicContact CE2-CB 3.7Å; F694-H920 HydrophobicContact CZ-CB 3.54Å; N918-H920 PolarHBondContact O-CD2 2.93Å; N918-H920 PolarHBondContact O-N 3.29Å; N918-H920 VanDerWaalsContact O-N 3.14Å; H920-G923 PolarHBondContact O-N 3.4Å; H920-M924 PolarHBondContact O-N 3.23Å; H920-A942 PolarHBondContact NE2-O 2.93Å; H920-V945 HydrophobicContact CB-CG1 4.41Å; H920-V945 VanDerWaalsContact CD2-CB 3.43Å; H920-V945 WeakPolarHBondContact CD2-CB 3.39Å; H920-V945 VanDerWaalsContact CD2-CG2 3.48Å; H920-V945 WeakPolarHBondContact CD2-CG2 3.22Å; H920-V945 WeakPolarHBondContact NE2-CG2 3.33Å; H920-Q949 PolarHBondContact O-NE2 3.34Å
921T97Very high98.1Very high30 Ų306.8 Ų6.818%0.1844%0.038CC..Hα-helixtrans-61.2-45.9171.9-51.70000111.6P559 G923 M924 D925P559-T921 HydrophobicContact CB-CG2 4.18Å; T921-G923 VanDerWaalsContact C-N 3.26Å; T921-G923 PolarHBondContact O-N 3.47Å; T921-M924 PolarHBondContact O-N 3.01Å; T921-D925 PolarHBondContact O-N 2.73Å
922T97.3Very high98.1Very high16 Ų166.7 Ų6.710%0.0984%0.037CC..Hα-helixtrans-63.4-31.9180-51.70000112.5F837 N838 D925 V926F837-T922 HydrophobicContact CB-CG2 3.93Å; N838-T922 PolarHBondContact OD1-OG1 2.98Å; T922-D925 PolarHBondContact O-N 3.46Å; T922-V926 PolarHBondContact O-N 2.97Å
923G98.1Very high98.1Very high0 Ų06.7 Ų6.70%04%0.037CC..Hα-helixtrans-62.9-49.6173.100000111G919 H920 T921 D925 V926 L927G919-G923 WeakPolarHBondContact O-CA 3.33Å; G919-G923 PolarHBondContact O-N 3.25Å; H920-G923 PolarHBondContact O-N 3.4Å; T921-G923 VanDerWaalsContact C-N 3.26Å; T921-G923 PolarHBondContact O-N 3.47Å; G923-D925 VanDerWaalsContact C-N 3.3Å; G923-D925 PolarHBondContact O-N 3.06Å; G923-V926 WeakPolarHBondContact O-CG1 3.39Å; G923-V926 PolarHBondContact O-N 2.91Å; G923-L927 WeakPolarHBondContact O-CB 3.3Å; G923-L927 WeakPolarHBondContact O-CG 3.49Å; G923-L927 PolarHBondContact O-N 2.99Å
924M98.7Very high98.1Very high0 Ų06.6 Ų6.60%04%0.037CC..Hα-helixtrans-61.4-39.1174.8-58.2-55.9-73.800112.3L563 F694 H698 H920 T921 V926 W928 Q949 L996 F997L563-M924 HydrophobicContact CD2-CB 4.49Å; L563-M924 HydrophobicContact CD2-CG 4.39Å; F694-M924 HydrophobicContact CD1-CG 3.42Å; F694-M924 VanDerWaalsContact CD1-CG 3.42Å; F694-M924 HydrophobicContact CD1-SD 3.76Å; F694-M924 HydrophobicContact CE1-CG 3.47Å; F694-M924 VanDerWaalsContact CE1-CG 3.47Å; F694-M924 HydrophobicContact CE1-SD 4.41Å; H698-M924 VanDerWaalsContact CE1-CB 3.49Å; H698-M924 WeakPolarHBondContact CE1-CB 3.28Å; H920-M924 PolarHBondContact O-N 3.23Å; T921-M924 PolarHBondContact O-N 3.01Å; M924-V926 PolarHBondContact O-N 3.34Å; M924-W928 VanDerWaalsContact O-CB 3.32Å; M924-W928 WeakPolarHBondContact O-CB 3Å; M924-W928 PolarHBondContact O-N 2.95Å; M924-Q949 HydrophobicContact SD-CG 3.88Å; M924-L996 HydrophobicContact CE-CD1 3.75Å; M924-L996 HydrophobicContact CE-CD2 4.35Å; M924-L996 HydrophobicContact CE-CG 3.68Å; M924-L996 WeakPolarHBondContact CE-O 3.47Å; M924-L996 HydrophobicContact SD-CD1 3.92Å; M924-L996 HydrophobicContact SD-CD2 4.43Å; M924-L996 HydrophobicContact SD-CG 4.21Å; M924-F997 HydrophobicContact CB-CE1 4.17Å; M924-F997 HydrophobicContact CB-CZ 4.39Å; M924-F997 HydrophobicContact CE-CD1 3.84Å; M924-F997 HydrophobicContact CE-CE1 3.45Å; M924-F997 VanDerWaalsContact CE-CE1 3.45Å; M924-F997 HydrophobicContact CE-CE2 4.31Å; M924-F997 HydrophobicContact CE-CG 4.43Å; M924-F997 HydrophobicContact CE-CZ 3.71Å; M924-F997 WeakPolarHBondContact O-CZ 3.48Å; M924-F997 HydrophobicContact SD-CZ 4.48Å
925D98.6Very high98.1Very high5 Ų56.6 Ų6.63%0.0274%0.037CC..Hα-helixtrans-59-47.9177.3-64.1-20.1000111.8H698 K898 H901 V902 T921 T922 G923 W928 A929H698-D925 IonicContact CD2-OD1 2.84Å; H698-D925 IonicContact CE1-OD1 3.82Å; H698-D925 IonicContact NE2-OD1 3.74Å; H698-D925 PolarHBondContact NE2-OD1 2.97Å; K898-D925 WeakPolarHBondContact CE-OD1 3.19Å; K898-D925 IonicContact NZ-OD1 3.21Å; K898-D925 PolarHBondContact NZ-OD1 3.19Å; K898-D925 IonicContact NZ-OD2 2.66Å; K898-D925 PolarHBondContact NZ-OD2 2.86Å; H901-D925 IonicContact CD2-OD2 3.16Å; H901-D925 PolarHBondContact CD2-OD2 3.44Å; H901-D925 IonicContact NE2-OD2 2.83Å; H901-D925 PolarHBondContact NE2-OD2 3.36Å; V902-D925 HydrophobicContact CG2-CB 3.88Å; T921-D925 PolarHBondContact O-N 2.73Å; T922-D925 PolarHBondContact O-N 3.46Å; G923-D925 VanDerWaalsContact C-N 3.3Å; G923-D925 PolarHBondContact O-N 3.06Å; D925-W928 PolarHBondContact O-N 3.17Å; D925-A929 PolarHBondContact O-N 2.7Å
926V98.3Very high98.2Very high5 Ų57.2 Ų7.23%0.034%0.039CC..Hα-helixtrans-77.3-33.7-175.778.10000112.8C911 T922 G923 M924 W928 A929 G930 T931 M933C911-V926 HydrophobicContact CB-CB 4.33Å; C911-V926 HydrophobicContact CB-CG1 3.96Å; C911-V926 HydrophobicContact CB-CG2 3.61Å; T922-V926 PolarHBondContact O-N 2.97Å; G923-V926 WeakPolarHBondContact O-CG1 3.39Å; G923-V926 PolarHBondContact O-N 2.91Å; M924-V926 PolarHBondContact O-N 3.34Å; V926-W928 VanDerWaalsContact C-N 3.35Å; V926-A929 WeakPolarHBondContact O-CB 3.49Å; V926-A929 PolarHBondContact O-N 3.42Å; V926-G930 PolarHBondContact O-N 2.97Å; V926-T931 HydrophobicContact CG2-CG2 3.7Å; V926-T931 PolarHBondContact O-N 3.07Å; V926-M933 HydrophobicContact CG1-CB 4.16Å; V926-M933 HydrophobicContact CG1-SD 4.05Å
927L98.6Very high98.2Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-68.1-36.6172.4-65.1-179.4000111G923 A929 G930 M933 Q949 L950 L953 V987 R991 L996 F997G923-L927 WeakPolarHBondContact O-CB 3.3Å; G923-L927 WeakPolarHBondContact O-CG 3.49Å; G923-L927 PolarHBondContact O-N 2.99Å; L927-A929 VanDerWaalsContact C-N 3.32Å; L927-G930 WeakPolarHBondContact O-CA 3.2Å; L927-G930 PolarHBondContact O-N 3.39Å; L927-M933 HydrophobicContact CD1-CE 4.45Å; L927-M933 HydrophobicContact CD2-CB 4.36Å; L927-Q949 HydrophobicContact CD1-CB 3.96Å; L927-L950 HydrophobicContact CD2-CD2 3.97Å; L927-L953 HydrophobicContact CD1-CD2 4.49Å; L927-L953 HydrophobicContact CD2-CD2 3.9Å; L927-V987 HydrophobicContact CD2-CG1 4.29Å; L927-R991 WeakPolarHBondContact O-CD 3.15Å; L927-L996 HydrophobicContact CB-CD2 4.49Å; L927-L996 HydrophobicContact CD1-CD2 3.73Å; L927-F997 HydrophobicContact CB-CE2 4.31Å; L927-F997 HydrophobicContact CB-CZ 4.23Å
928W98.6Very high98.1Very high2 Ų28.3 Ų8.31%0.0085%0.053CC..Hα-helixtrans-65.9-35.2169.9-167.7-109.6000111.5H698 A699 F702 K706 V902 M924 D925 V926 G930 R991 I992 F997H698-W928 HydrophobicContact CB-CB 3.91Å; H698-W928 HydrophobicContact CB-CD2 3.45Å; H698-W928 VanDerWaalsContact CB-CD2 3.45Å; H698-W928 HydrophobicContact CB-CE3 3.96Å; H698-W928 HydrophobicContact CB-CG 3.4Å; H698-W928 VanDerWaalsContact CB-CG 3.4Å; H698-W928 AromaticContact CD2-CG 3.99Å; H698-W928 AromaticContact CG-CG 3.98Å; H698-W928 WeakPolarHBondContact O-CZ2 3.48Å; A699-W928 HydrophobicContact CB-CH2 3.64Å; A699-W928 HydrophobicContact CB-CZ2 4.31Å; A699-W928 HydrophobicContact CB-CZ3 4.09Å; F702-W928 PolarHBondContact O-NE1 3.1Å; F702-W928 VanDerWaalsContact O-NE1 3.08Å; K706-W928 HydrophobicContact CG-CH2 4.14Å; K706-W928 HydrophobicContact CG-CZ2 3.87Å; V902-W928 HydrophobicContact CG1-CB 4.4Å; M924-W928 VanDerWaalsContact O-CB 3.32Å; M924-W928 WeakPolarHBondContact O-CB 3Å; M924-W928 PolarHBondContact O-N 2.95Å; D925-W928 PolarHBondContact O-N 3.17Å; V926-W928 VanDerWaalsContact C-N 3.35Å; W928-G930 PolarHBondContact O-N 2.86Å; W928-G930 VanDerWaalsContact O-N 3.1Å; W928-R991 WeakPolarHBondContact O-CD 3.37Å; W928-R991 PolarHBondContact O-NH1 3.12Å; W928-I992 HydrophobicContact CH2-CD1 3.71Å; W928-I992 HydrophobicContact CZ3-CD1 3.88Å; W928-F997 HydrophobicContact CB-CE1 4Å; W928-F997 HydrophobicContact CB-CZ 3.83Å; W928-F997 HydrophobicContact CD2-CD1 4.49Å; W928-F997 HydrophobicContact CD2-CE1 4.42Å; W928-F997 HydrophobicContact CE3-CB 4.18Å; W928-F997 AromaticContact CE3-CD1 3.66Å; W928-F997 HydrophobicContact CE3-CD1 3.66Å; W928-F997 AromaticContact CE3-CD2 3.67Å; W928-F997 HydrophobicContact CE3-CD2 3.67Å; W928-F997 AromaticContact CE3-CE1 3.85Å; W928-F997 HydrophobicContact CE3-CE1 3.85Å; W928-F997 AromaticContact CE3-CE2 3.87Å; W928-F997 HydrophobicContact CE3-CE2 3.87Å; W928-F997 AromaticContact CE3-CG 3.56Å; W928-F997 HydrophobicContact CE3-CG 3.56Å; W928-F997 AromaticContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CZ3-CB 3.79Å; W928-F997 HydrophobicContact CZ3-CD1 4.13Å; W928-F997 AromaticContact CZ3-CD2 3.96Å; W928-F997 HydrophobicContact CZ3-CD2 3.96Å; W928-F997 AromaticContact CZ3-CG 3.7Å; W928-F997 HydrophobicContact CZ3-CG 3.7Å
929A98.3Very high97.9Very high0 Ų014.3 Ų14.30%08%0.081CC..THydrogen-bonded Turntrans-65.8-9.1171.100000113.7Q906 D925 V926 L927 T931 W988Q906-A929 HydrophobicContact CG-CB 3.86Å; Q906-A929 WeakPolarHBondContact CG-O 3.46Å; D925-A929 PolarHBondContact O-N 2.7Å; V926-A929 WeakPolarHBondContact O-CB 3.49Å; V926-A929 PolarHBondContact O-N 3.42Å; L927-A929 VanDerWaalsContact C-N 3.32Å; A929-T931 VanDerWaalsContact C-N 3.26Å; A929-T931 PolarHBondContact O-N 3.36Å; A929-W988 WeakPolarHBondContact O-CZ3 3.49Å
930G97.6Very high98Very high1 Ų115 Ų151%0.019%0.085CC..THydrogen-bonded Turntrans69.824-175.200000113.5V926 L927 W928V926-G930 PolarHBondContact O-N 2.97Å; L927-G930 WeakPolarHBondContact O-CA 3.2Å; L927-G930 PolarHBondContact O-N 3.39Å; W928-G930 PolarHBondContact O-N 2.86Å; W928-G930 VanDerWaalsContact O-N 3.1Å
931T98.6Very high98Very high0 Ų014.1 Ų14.10%08%0.081CC..  trans-95.6122.7177.8-68.50000108.9G905 A908 C911 V926 A929G905-T931 PolarHBondContact O-OG1 3.25Å; A908-T931 HydrophobicContact CB-CG2 4.34Å; C911-T931 HydrophobicContact CB-CG2 4.48Å; V926-T931 HydrophobicContact CG2-CG2 3.7Å; V926-T931 PolarHBondContact O-N 3.07Å; A929-T931 VanDerWaalsContact C-N 3.26Å; A929-T931 PolarHBondContact O-N 3.36Å
932P98.7Very high98Very high0 Ų012.7 Ų12.70%07%0.073CC..  trans-57.6138.6177.5-24.333.2000111.6V910 C911 L958 I983 R984 V987V910-P932 CarbonylContact C-O 3.49Å; V910-P932 WeakPolarHBondContact CA-O 3.39Å; C911-P932 PolarHBondContact N-O 2.96Å; P932-L958 HydrophobicContact CB-CD1 3.96Å; P932-L958 HydrophobicContact CB-CD2 4.35Å; P932-I983 HydrophobicContact CB-CG2 3.83Å; P932-I983 HydrophobicContact CG-CG2 3.72Å; P932-R984 HydrophobicContact CG-CB 4.39Å; P932-R984 HydrophobicContact CG-CG 3.63Å; P932-V987 HydrophobicContact CB-CG2 4.29Å; P932-V987 HydrophobicContact CG-CG2 4.14Å
933M98.9Very high98.1Very high1 Ų112.1 Ų12.11%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-117.7126.1177.2-179.7173.461.600109.7C911 D913 V926 L927 A946 L950 L958C911-M933 HydrophobicContact CB-CB 4Å; C911-M933 HydrophobicContact CB-CG 4.06Å; C911-M933 CarbonylContact O-C 3.53Å; C911-M933 VanDerWaalsContact O-CA 3.31Å; C911-M933 WeakPolarHBondContact O-CA 3.4Å; D913-M933 HydrophobicContact CB-CG 3.94Å; D913-M933 HydrophobicContact CB-SD 3.99Å; V926-M933 HydrophobicContact CG1-CB 4.16Å; V926-M933 HydrophobicContact CG1-SD 4.05Å; L927-M933 HydrophobicContact CD1-CE 4.45Å; L927-M933 HydrophobicContact CD2-CB 4.36Å; M933-A946 HydrophobicContact CE-CB 3.54Å; M933-A946 HydrophobicContact SD-CB 4.36Å; M933-L950 HydrophobicContact CE-CG 4.46Å; M933-L950 WeakPolarHBondContact O-CD1 3.46Å; M933-L958 WeakPolarHBondContact O-CB 3.38Å
934V98.9Very high98.1Very high0 Ų014.4 Ų14.40%08%0.078CC..EExtended strand (participates in β ladder)trans-91.9128.5172.1-175.30000108.5V910 C911 D913 L958 Y966 I969 A970 L973V910-V934 HydrophobicContact CG1-CG2 3.91Å; C911-V934 PolarHBondContact O-N 3.07Å; D913-V934 WeakPolarHBondContact CB-O 3.44Å; D913-V934 PolarHBondContact N-O 3.02Å; V934-L958 HydrophobicContact CG2-CD2 4.48Å; V934-Y966 HydrophobicContact CB-CE2 4.33Å; V934-Y966 HydrophobicContact CG1-CD1 4.38Å; V934-Y966 HydrophobicContact CG1-CD2 3.74Å; V934-Y966 HydrophobicContact CG1-CE1 4.47Å; V934-Y966 HydrophobicContact CG1-CE2 3.9Å; V934-Y966 HydrophobicContact CG1-CG 4.02Å; V934-Y966 WeakPolarHBondContact O-CE2 3.43Å; V934-I969 HydrophobicContact CG1-CB 4.21Å; V934-I969 HydrophobicContact CG1-CG2 3.95Å; V934-I969 HydrophobicContact CG2-CG2 3.8Å; V934-A970 HydrophobicContact CG2-CB 4.47Å; V934-L973 HydrophobicContact CG2-CD1 3.61Å
935T98.9Very high98.1Very high0 Ų014.4 Ų14.40%08%0.078CC..BIsolated β-bridgetrans-132.8165.5177.7-168.20000111.7D913 A946 A947 L950 L958 I959 A960D913-T935 WeakPolarHBondContact OD2-CB 3.4Å; D913-T935 PolarHBondContact OD2-OG1 3.23Å; T935-A946 HydrophobicContact CG2-CB 4.13Å; T935-A947 HydrophobicContact CG2-CB 4.08Å; T935-L950 HydrophobicContact CG2-CD1 3.54Å; T935-L958 PolarHBondContact N-O 3.2Å; T935-L958 VanDerWaalsContact N-O 3.12Å; T935-I959 HydrophobicContact CG2-CG1 4.37Å; T935-I959 HydrophobicContact CG2-CG2 4.49Å; T935-A960 WeakPolarHBondContact O-CB 3.46Å; T935-A960 PolarHBondContact O-N 3.34Å
936M98.6Very high98.1Very high28 Ų2814.1 Ų14.114%0.1388%0.076CC..  trans-137.4108.8172.9-177.6-176.379.600107.7P915 G938 A960 R963 Y966P915-M936 HydrophobicContact CB-CB 4.47Å; P915-M936 HydrophobicContact CB-CE 3.72Å; P915-M936 HydrophobicContact CG-CB 4.23Å; P915-M936 HydrophobicContact CG-CE 3.95Å; M936-G938 PolarHBondContact O-N 3.5Å; M936-A960 WeakPolarHBondContact CA-O 3.36Å; M936-A960 HydrophobicContact CB-CB 4.3Å; M936-A960 WeakPolarHBondContact CG-O 3.09Å; M936-R963 HydrophobicContact CE-CG 3.85Å; M936-R963 HydrophobicContact SD-CB 4.45Å; M936-R963 HydrophobicContact SD-CG 3.88Å; M936-R963 PolarHBondContact SD-N 3.38Å; M936-Y966 HydrophobicContact CB-CD2 3.97Å
937P98.2Very high98.1Very high37 Ų3714 Ų1424%0.248%0.076CC..  trans-64.5128.2-17825.4-31.1000110.4S943 R944 A947 I959 A960P937-S943 WeakPolarHBondContact CA-O 3.44Å; P937-R944 HydrophobicContact CB-CG 4.03Å; P937-A947 HydrophobicContact CB-CB 3.87Å; P937-A947 HydrophobicContact CG-CB 4.16Å; P937-I959 HydrophobicContact CG-CG2 4.01Å; P937-A960 VanDerWaalsContact CD-O 3.27Å; P937-A960 WeakPolarHBondContact CD-O 3.38Å
938G95.5Very high98.1Very high24 Ų2414 Ų1425%0.2478%0.076CC..  trans-88.1-152.2170.700000112.5M936 S943 R944M936-G938 PolarHBondContact O-N 3.5Å; G938-S943 WeakPolarHBondContact CA-OG 3.5Å; G938-S943 PolarHBondContact N-O 2.89Å; G938-R944 VanDerWaalsContact O-CD 3.26Å; G938-R944 WeakPolarHBondContact O-CD 3.29Å; G938-R944 VanDerWaalsContact O-CG 3.23Å; G938-R944 WeakPolarHBondContact O-CG 3.33Å; G938-R944 PolarHBondContact O-NH1 2.91Å
939E94.3Very high98.1Very high125 Ų12514 Ų1458%0.5848%0.076SC*.SBendtrans-98.6-30.4-178.2-59.3176.6170.300113.7H507 Q681 S943H507-E939 IonicContact CE1-OE2 3.63Å; H507-E939 PolarHBondContact CE1-OE2 2.94Å; H507-E939 VanDerWaalsContact CE1-OE2 3.3Å; H507-E939 IonicContact NE2-OE2 2.74Å; H507-E939 PolarHBondContact NE2-OE2 3.35Å; Q681-E939 PolarHBondContact NE2-O 3.27Å; Q681-E939 PolarHBondContact OE1-O 3.36Å; E939-S943 PolarHBondContact N-OG 3.27Å
940T97.6Very high98.2Very high15 Ų1514 Ų149%0.0928%0.076CC..SBendtrans-83.5154.4-178.772.20000110.9A942 S943 R944T940-A942 PolarHBondContact O-N 3.39Å; T940-S943 WeakPolarHBondContact CA-OG 3.06Å; T940-S943 PolarHBondContact N-OG 2.93Å; T940-S943 PolarHBondContact O-N 3.15Å; T940-S943 PolarHBondContact O-OG 3.25Å; T940-S943 WeakPolarHBondContact OG1-CB 3.21Å; T940-S943 PolarHBondContact OG1-N 3.27Å; T940-S943 PolarHBondContact OG1-OG 3.01Å; T940-R944 WeakPolarHBondContact O-CG 3.3Å; T940-R944 PolarHBondContact O-N 3.13Å
941L98.2Very high98.2Very high7 Ų715.6 Ų15.64%0.0379%0.086CC..G310 helixtrans-46.9-51.7171.2-173163.2000110.7P656 I667 T673 Y682 F693 S943 R944 V945P656-L941 HydrophobicContact CB-CD2 3.96Å; I667-L941 HydrophobicContact CD1-CD1 3.91Å; T673-L941 HydrophobicContact CG2-CB 4.33Å; T673-L941 HydrophobicContact CG2-CD2 3.98Å; T673-L941 HydrophobicContact CG2-CG 3.64Å; T673-L941 WeakPolarHBondContact CG2-O 3.32Å; Y682-L941 HydrophobicContact CE1-CB 4.38Å; Y682-L941 HydrophobicContact CE1-CD1 4Å; F693-L941 HydrophobicContact CE1-CD2 4.35Å; F693-L941 HydrophobicContact CZ-CD2 4.02Å; L941-S943 PolarHBondContact O-N 3.45Å; L941-S943 VanDerWaalsContact O-N 3.16Å; L941-R944 PolarHBondContact O-N 3.08Å; L941-V945 HydrophobicContact CD2-CG2 3.94Å; L941-V945 WeakPolarHBondContact O-CG2 3.37Å; L941-V945 PolarHBondContact O-N 3.23Å
942A97.8Very high98.2Very high1 Ų116.2 Ų16.21%0.0089%0.09CC..G310 helixtrans-62.6-25.2-176.900000114.8M501 P656 N918 H920 T940M501-A942 HydrophobicContact CE-CB 3.19Å; M501-A942 HydrophobicContact SD-CB 3.91Å; P656-A942 HydrophobicContact CB-CB 3.91Å; P656-A942 HydrophobicContact CG-CB 4.25Å; N918-A942 PolarHBondContact N-O 3.42Å; H920-A942 PolarHBondContact NE2-O 2.93Å; T940-A942 PolarHBondContact O-N 3.39Å
943S98.4Very high98.2Very high4 Ų416.4 Ų16.43%0.0289%0.091CC..G310 helixtrans-89.62.2176.457.80000114.2P915 N918 P937 G938 E939 T940 L941P915-S943 WeakPolarHBondContact O-CB 3.47Å; N918-S943 VanDerWaalsContact CG-C 3.47Å; N918-S943 PolarHBondContact ND2-O 2.93Å; N918-S943 PolarHBondContact OD1-O 3.37Å; N918-S943 VanDerWaalsContact OD1-O 3.07Å; P937-S943 WeakPolarHBondContact CA-O 3.44Å; G938-S943 WeakPolarHBondContact CA-OG 3.5Å; G938-S943 PolarHBondContact N-O 2.89Å; E939-S943 PolarHBondContact N-OG 3.27Å; T940-S943 WeakPolarHBondContact CA-OG 3.06Å; T940-S943 PolarHBondContact N-OG 2.93Å; T940-S943 PolarHBondContact O-N 3.15Å; T940-S943 PolarHBondContact O-OG 3.25Å; T940-S943 WeakPolarHBondContact OG1-CB 3.21Å; T940-S943 PolarHBondContact OG1-N 3.27Å; T940-S943 PolarHBondContact OG1-OG 3.01Å; L941-S943 PolarHBondContact O-N 3.45Å; L941-S943 VanDerWaalsContact O-N 3.16Å
944R98.7Very high98.1Very high47 Ų4717.8 Ų17.818%0.17711%0.106CC..THydrogen-bonded Turntrans-120.2-12.1-178.8-62.2178.767.282.43.7114.8E672 T673 N918 P937 G938 T940 L941 A946 A947 S948E672-R944 PolarHBondContact O-NE 3.28Å; E672-R944 PolarHBondContact O-NH2 3.47Å; T673-R944 HydrophobicContact CG2-CB 4.12Å; T673-R944 VanDerWaalsContact O-CD 3.23Å; T673-R944 WeakPolarHBondContact O-CD 3.35Å; T673-R944 PolarHBondContact O-NE 3.17Å; N918-R944 VanDerWaalsContact OD1-CA 3.31Å; N918-R944 WeakPolarHBondContact OD1-CA 3.44Å; N918-R944 PolarHBondContact OD1-N 3.09Å; P937-R944 HydrophobicContact CB-CG 4.03Å; G938-R944 VanDerWaalsContact O-CD 3.26Å; G938-R944 WeakPolarHBondContact O-CD 3.29Å; G938-R944 VanDerWaalsContact O-CG 3.23Å; G938-R944 WeakPolarHBondContact O-CG 3.33Å; G938-R944 PolarHBondContact O-NH1 2.91Å; T940-R944 WeakPolarHBondContact O-CG 3.3Å; T940-R944 PolarHBondContact O-N 3.13Å; L941-R944 PolarHBondContact O-N 3.08Å; R944-A946 VanDerWaalsContact C-N 3.33Å; R944-A946 PolarHBondContact O-N 3.37Å; R944-A947 WeakPolarHBondContact O-CB 3.47Å; R944-A947 PolarHBondContact O-N 3.22Å; R944-A947 VanDerWaalsContact O-N 3.09Å; R944-S948 PolarHBondContact O-N 3.43Å; R944-S948 VanDerWaalsContact O-N 3.09Å
945V98.8Very high98Very high0 Ų017.8 Ų17.80%011%0.106CC..Hα-helixtrans-53-44.3-178.7-1790000113T673 F693 F694 N918 H920 L941 A947 S948 Q949T673-V945 HydrophobicContact CG2-CG2 4.36Å; F693-V945 HydrophobicContact CE1-CG2 4.18Å; F693-V945 HydrophobicContact CZ-CG2 4.16Å; F694-V945 HydrophobicContact CB-CG1 4.47Å; F694-V945 HydrophobicContact CD2-CG1 3.58Å; F694-V945 HydrophobicContact CE2-CG1 4.02Å; F694-V945 HydrophobicContact CG-CG1 4.03Å; N918-V945 HydrophobicContact CB-CB 4.47Å; N918-V945 PolarHBondContact OD1-N 2.74Å; H920-V945 HydrophobicContact CB-CG1 4.41Å; H920-V945 VanDerWaalsContact CD2-CB 3.43Å; H920-V945 WeakPolarHBondContact CD2-CB 3.39Å; H920-V945 VanDerWaalsContact CD2-CG2 3.48Å; H920-V945 WeakPolarHBondContact CD2-CG2 3.22Å; H920-V945 WeakPolarHBondContact NE2-CG2 3.33Å; L941-V945 HydrophobicContact CD2-CG2 3.94Å; L941-V945 WeakPolarHBondContact O-CG2 3.37Å; L941-V945 PolarHBondContact O-N 3.23Å; V945-A947 VanDerWaalsContact C-N 3.32Å; V945-A947 PolarHBondContact O-N 2.93Å; V945-S948 PolarHBondContact O-N 3.37Å; V945-Q949 HydrophobicContact CG1-CG 4.43Å; V945-Q949 VanDerWaalsContact O-CG 3.3Å; V945-Q949 WeakPolarHBondContact O-CG 3.35Å; V945-Q949 PolarHBondContact O-N 3.23Å
946A98.8Very high98Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-67.2-34-179.200000112.4D913 N918 M933 T935 R944 Q949 L950D913-A946 VanDerWaalsContact OD2-CB 3.29Å; D913-A946 WeakPolarHBondContact OD2-CB 3.42Å; N918-A946 HydrophobicContact CB-CB 3.66Å; N918-A946 PolarHBondContact OD1-N 2.99Å; M933-A946 HydrophobicContact CE-CB 3.54Å; M933-A946 HydrophobicContact SD-CB 4.36Å; T935-A946 HydrophobicContact CG2-CB 4.13Å; R944-A946 VanDerWaalsContact C-N 3.33Å; R944-A946 PolarHBondContact O-N 3.37Å; A946-Q949 PolarHBondContact O-N 2.93Å; A946-L950 VanDerWaalsContact O-CG 3.3Å; A946-L950 WeakPolarHBondContact O-CG 3.33Å; A946-L950 PolarHBondContact O-N 3.25Å
947A98.8Very high98Very high3 Ų324.4 Ų24.43%0.02514%0.139CC..Hα-helixtrans-66.3-44.2174.600000110.5T935 P937 R944 V945 Q949 L950 T951 I959T935-A947 HydrophobicContact CG2-CB 4.08Å; P937-A947 HydrophobicContact CB-CB 3.87Å; P937-A947 HydrophobicContact CG-CB 4.16Å; R944-A947 WeakPolarHBondContact O-CB 3.47Å; R944-A947 PolarHBondContact O-N 3.22Å; R944-A947 VanDerWaalsContact O-N 3.09Å; V945-A947 VanDerWaalsContact C-N 3.32Å; V945-A947 PolarHBondContact O-N 2.93Å; A947-Q949 PolarHBondContact O-N 3.48Å; A947-L950 PolarHBondContact O-N 3.02Å; A947-T951 PolarHBondContact O-N 3.45Å; A947-T951 PolarHBondContact O-OG1 3.15Å; A947-T951 VanDerWaalsContact O-OG1 3.09Å; A947-I959 HydrophobicContact CB-CD1 4.27Å; A947-I959 HydrophobicContact CB-CG2 4.03Å
948S98.7Very high98Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-58.8-43.6173.5167.90000112.5D670 T673 T692 R944 V945 L950 T951 C952D670-S948 PolarHBondContact OD1-OG 3.13Å; D670-S948 PolarHBondContact OD2-OG 2.85Å; T673-S948 WeakPolarHBondContact OG1-CB 3.31Å; T673-S948 PolarHBondContact OG1-OG 3.39Å; T692-S948 VanDerWaalsContact CB-OG 3.23Å; T692-S948 WeakPolarHBondContact CB-OG 3.42Å; T692-S948 PolarHBondContact OG1-OG 3.33Å; R944-S948 PolarHBondContact O-N 3.43Å; R944-S948 VanDerWaalsContact O-N 3.09Å; V945-S948 PolarHBondContact O-N 3.37Å; S948-L950 VanDerWaalsContact C-N 3.34Å; S948-L950 PolarHBondContact O-N 3.4Å; S948-T951 PolarHBondContact O-N 3.22Å; S948-C952 WeakPolarHBondContact O-CB 3.38Å; S948-C952 PolarHBondContact O-N 2.93Å
949Q98.8Very high98.2Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-58.6-44.4174.2-69.9168.4-400112F694 H920 M924 L927 V945 A946 A947 C952 L953 L996F694-Q949 HydrophobicContact CB-CG 4.3Å; H920-Q949 PolarHBondContact O-NE2 3.34Å; M924-Q949 HydrophobicContact SD-CG 3.88Å; L927-Q949 HydrophobicContact CD1-CB 3.96Å; V945-Q949 HydrophobicContact CG1-CG 4.43Å; V945-Q949 VanDerWaalsContact O-CG 3.3Å; V945-Q949 WeakPolarHBondContact O-CG 3.35Å; V945-Q949 PolarHBondContact O-N 3.23Å; A946-Q949 PolarHBondContact O-N 2.93Å; A947-Q949 PolarHBondContact O-N 3.48Å; Q949-C952 PolarHBondContact O-N 3.32Å; Q949-L953 WeakPolarHBondContact O-CB 3.38Å; Q949-L953 PolarHBondContact O-N 3Å; Q949-L996 HydrophobicContact CB-CD1 4.36Å; Q949-L996 HydrophobicContact CG-CD1 4.44Å
950L98.8Very high98.4Very high0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-71.6-33.8179.3-70.9170.1000113L927 M933 T935 A946 A947 S948 L953 G954 C955 L958 I959L927-L950 HydrophobicContact CD2-CD2 3.97Å; M933-L950 HydrophobicContact CE-CG 4.46Å; M933-L950 WeakPolarHBondContact O-CD1 3.46Å; T935-L950 HydrophobicContact CG2-CD1 3.54Å; A946-L950 VanDerWaalsContact O-CG 3.3Å; A946-L950 WeakPolarHBondContact O-CG 3.33Å; A946-L950 PolarHBondContact O-N 3.25Å; A947-L950 PolarHBondContact O-N 3.02Å; S948-L950 VanDerWaalsContact C-N 3.34Å; S948-L950 PolarHBondContact O-N 3.4Å; L950-L953 HydrophobicContact CD2-CD2 4.34Å; L950-L953 PolarHBondContact O-N 3.16Å; L950-G954 PolarHBondContact O-N 3.19Å; L950-C955 HydrophobicContact CD2-CB 4.3Å; L950-C955 PolarHBondContact O-N 2.91Å; L950-L958 HydrophobicContact CD1-CB 3.92Å; L950-L958 HydrophobicContact CD2-CB 4.29Å; L950-L958 HydrophobicContact CD2-CD1 3.95Å; L950-I959 HydrophobicContact CB-CD1 4.01Å; L950-I959 HydrophobicContact CB-CG1 3.97Å; L950-I959 HydrophobicContact CD1-CG1 4.05Å
951T98.6Very high98.4Very high36 Ų3625 Ų2522%0.22113%0.129CC..Hα-helixtrans-63.7-48.3171.8-63.10000110.5E672 A947 S948 L953 G954 L956 I959E672-T951 HydrophobicContact CG-CG2 3.81Å; A947-T951 PolarHBondContact O-N 3.45Å; A947-T951 PolarHBondContact O-OG1 3.15Å; A947-T951 VanDerWaalsContact O-OG1 3.09Å; S948-T951 PolarHBondContact O-N 3.22Å; T951-L953 VanDerWaalsContact C-N 3.27Å; T951-L953 PolarHBondContact O-N 3.47Å; T951-G954 PolarHBondContact O-N 3.29Å; T951-L956 HydrophobicContact CG2-CD2 4.06Å; T951-I959 WeakPolarHBondContact OG1-CD1 3.46Å
952C98.4Very high98.4Very high12 Ų1227.3 Ų27.38%0.08115%0.145CC..Hα-helixtrans-61.3-35174177.90000112.6H691 T692 S948 Q949 G954 L996H691-C952 HydrophobicContact CB-CB 4.28Å; T692-C952 HydrophobicContact CG2-CB 3.61Å; T692-C952 VanDerWaalsContact CG2-SG 3.51Å; S948-C952 WeakPolarHBondContact O-CB 3.38Å; S948-C952 PolarHBondContact O-N 2.93Å; Q949-C952 PolarHBondContact O-N 3.32Å; C952-G954 VanDerWaalsContact C-N 3.32Å; C952-L996 HydrophobicContact CB-CD1 4.17Å
953L98.2Very high98.4Very high4 Ų434.1 Ų34.12%0.02117%0.171CC..Hα-helixtrans-67.5-32.5174.3-169.465.5000112.5L927 Q949 L950 T951 C955 V987 Q990 R991 L996L927-L953 HydrophobicContact CD1-CD2 4.49Å; L927-L953 HydrophobicContact CD2-CD2 3.9Å; Q949-L953 WeakPolarHBondContact O-CB 3.38Å; Q949-L953 PolarHBondContact O-N 3Å; L950-L953 HydrophobicContact CD2-CD2 4.34Å; L950-L953 PolarHBondContact O-N 3.16Å; T951-L953 VanDerWaalsContact C-N 3.27Å; T951-L953 PolarHBondContact O-N 3.47Å; L953-C955 HydrophobicContact CD2-CB 4.37Å; L953-V987 HydrophobicContact CD2-CB 4.49Å; L953-V987 HydrophobicContact CD2-CG1 4.07Å; L953-V987 HydrophobicContact CD2-CG2 4.23Å; L953-Q990 HydrophobicContact CD1-CB 3.7Å; L953-Q990 HydrophobicContact CG-CB 4.01Å; L953-Q990 WeakPolarHBondContact O-CB 3.35Å; L953-Q990 VanDerWaalsContact O-CD 3.23Å; L953-Q990 PolarHBondContact O-OE1 2.94Å; L953-R991 HydrophobicContact CD1-CB 4.38Å; L953-L996 HydrophobicContact CB-CD2 4.23Å; L953-L996 HydrophobicContact CD1-CD2 4.09Å
954G97.3Very high98.5Very high31 Ų3138.9 Ų38.932%0.3219%0.193SC..THydrogen-bonded Turntrans92.324.5-173.500000114.2L950 T951 C952 K986L950-G954 PolarHBondContact O-N 3.19Å; T951-G954 PolarHBondContact O-N 3.29Å; C952-G954 VanDerWaalsContact C-N 3.32Å; G954-K986 WeakPolarHBondContact O-CE 3.3Å; G954-K986 PolarHBondContact O-NZ 3.25Å
955C97.7Very high98.5Very high0 Ų039.8 Ų39.80%020%0.199CC..  trans-112.758.6-179.9-72.10000112.2L950 L953 E957 L958 Q990L950-C955 HydrophobicContact CD2-CB 4.3Å; L950-C955 PolarHBondContact O-N 2.91Å; L953-C955 HydrophobicContact CD2-CB 4.37Å; C955-E957 VanDerWaalsContact C-OE2 3.25Å; C955-E957 WeakPolarHBondContact CA-OE2 3.34Å; C955-E957 PolarHBondContact O-N 3.17Å; C955-L958 HydrophobicContact CB-CD1 3.82Å; C955-L958 HydrophobicContact CB-CG 4.21Å; C955-L958 WeakPolarHBondContact O-CB 3.34Å; C955-L958 PolarHBondContact O-N 3.27Å; C955-L958 VanDerWaalsContact O-N 3.12Å; C955-Q990 PolarHBondContact SG-OE1 3.5Å
956L98.2Very high98.5Very high106 Ų10639.8 Ų39.856%0.55520%0.199SC*.G310 helixtrans-61.1-26.6-178-57-179.8000113.2T951 L958 I959T951-L956 HydrophobicContact CG2-CD2 4.06Å; L956-L958 PolarHBondContact O-N 3.22Å; L956-L958 VanDerWaalsContact O-N 3.11Å; L956-I959 HydrophobicContact CD2-CD1 4.13Å; L956-I959 PolarHBondContact O-N 3.08Å; L956-I959 VanDerWaalsContact O-N 3.12Å
957E98Very high98.5Very high61 Ų6140.5 Ų40.529%0.28520%0.202SC..G310 helixtrans-66.5-7.317764.8-94.1-133.900114.4C955 I983 K986C955-E957 VanDerWaalsContact C-OE2 3.25Å; C955-E957 WeakPolarHBondContact CA-OE2 3.34Å; C955-E957 PolarHBondContact O-N 3.17Å; E957-I983 HydrophobicContact CG-CD1 3.83Å; E957-I983 WeakPolarHBondContact OE1-CD1 3.39Å; E957-K986 VanDerWaalsContact CD-NZ 3.31Å; E957-K986 WeakPolarHBondContact OE1-CD 3.48Å; E957-K986 IonicContact OE1-NZ 2.8Å; E957-K986 PolarHBondContact OE1-NZ 3.39Å; E957-K986 IonicContact OE2-NZ 2.63Å; E957-K986 PolarHBondContact OE2-NZ 3.01Å
958L98.8Very high98.5Very high0 Ų043.5 Ų43.50%022%0.218CC..G310 helixtrans-980.6176.3-65.8-179.2000113.4P932 M933 V934 T935 L950 C955 L956 I969 L973 I983 V987P932-L958 HydrophobicContact CB-CD1 3.96Å; P932-L958 HydrophobicContact CB-CD2 4.35Å; M933-L958 WeakPolarHBondContact O-CB 3.38Å; V934-L958 HydrophobicContact CG2-CD2 4.48Å; T935-L958 PolarHBondContact N-O 3.2Å; T935-L958 VanDerWaalsContact N-O 3.12Å; L950-L958 HydrophobicContact CD1-CB 3.92Å; L950-L958 HydrophobicContact CD2-CB 4.29Å; L950-L958 HydrophobicContact CD2-CD1 3.95Å; C955-L958 HydrophobicContact CB-CD1 3.82Å; C955-L958 HydrophobicContact CB-CG 4.21Å; C955-L958 WeakPolarHBondContact O-CB 3.34Å; C955-L958 PolarHBondContact O-N 3.27Å; C955-L958 VanDerWaalsContact O-N 3.12Å; L956-L958 PolarHBondContact O-N 3.22Å; L956-L958 VanDerWaalsContact O-N 3.11Å; L958-I969 HydrophobicContact CD2-CG2 4.44Å; L958-L973 HydrophobicContact CD2-CD1 3.76Å; L958-I983 HydrophobicContact CD1-CG2 4.2Å; L958-I983 HydrophobicContact CD2-CG2 4.06Å; L958-I983 HydrophobicContact CG-CG2 4.44Å; L958-V987 HydrophobicContact CD1-CG2 4.28Å
959I98.8Very high98.5Very high30 Ų3044.5 Ų44.515%0.15422%0.223CC..BIsolated β-bridgetrans-104.8106-178-52.2175.7000108.8T935 P937 A947 L950 T951 L956T935-I959 HydrophobicContact CG2-CG1 4.37Å; T935-I959 HydrophobicContact CG2-CG2 4.49Å; P937-I959 HydrophobicContact CG-CG2 4.01Å; A947-I959 HydrophobicContact CB-CD1 4.27Å; A947-I959 HydrophobicContact CB-CG2 4.03Å; L950-I959 HydrophobicContact CB-CD1 4.01Å; L950-I959 HydrophobicContact CB-CG1 3.97Å; L950-I959 HydrophobicContact CD1-CG1 4.05Å; T951-I959 WeakPolarHBondContact OG1-CD1 3.46Å; L956-I959 HydrophobicContact CD2-CD1 4.13Å; L956-I959 PolarHBondContact O-N 3.08Å; L956-I959 VanDerWaalsContact O-N 3.12Å
960A98.7Very high98.5Very high0 Ų044.5 Ų44.50%022%0.223CC..  trans-81144176.700000111.7T935 M936 P937 E965 Y966 I969T935-A960 WeakPolarHBondContact O-CB 3.46Å; T935-A960 PolarHBondContact O-N 3.34Å; M936-A960 WeakPolarHBondContact CA-O 3.36Å; M936-A960 HydrophobicContact CB-CB 4.3Å; M936-A960 WeakPolarHBondContact CG-O 3.09Å; P937-A960 VanDerWaalsContact CD-O 3.27Å; P937-A960 WeakPolarHBondContact CD-O 3.38Å; A960-E965 HydrophobicContact CB-CB 4.17Å; A960-E965 HydrophobicContact CB-CG 4.19Å; A960-Y966 VanDerWaalsContact CB-CA 3.42Å; A960-Y966 HydrophobicContact CB-CD2 4.47Å; A960-Y966 VanDerWaalsContact CB-N 3.3Å; A960-I969 HydrophobicContact CB-CD1 4.04Å
961K98.2Very high98.5Very high184 Ų18445.2 Ų45.280%0.823%0.227SC*.SBendtrans-93.7-12.6175.5-55.9173.3-177.1172.30112.9E965K961-E965 WeakPolarHBondContact CA-OE2 3.42Å; K961-E965 WeakPolarHBondContact CB-OE2 3.38Å; K961-E965 WeakPolarHBondContact CG-OE2 3.43Å; K961-E965 PolarHBondContact N-OE2 3.16Å
962S98.3Very high98.5Very high54 Ų5448.1 Ų48.138%0.37824%0.237SC..SBendtrans-148.8163.2-179.669.70000111.2Q964 E965 Y966S962-Q964 VanDerWaalsContact C-N 3.25Å; S962-Q964 PolarHBondContact O-N 3.05Å; S962-E965 PolarHBondContact O-N 3.36Å; S962-E965 WeakPolarHBondContact OG-CB 3.5Å; S962-E965 PolarHBondContact OG-N 3.5Å; S962-Y966 PolarHBondContact O-N 3.41Å
963R98.4Very high98.5Very high145 Ų14547.6 Ų47.655%0.54723%0.233SC..Hα-helixtrans-59.6-39.1177.1-65.2-178.9-168.2175.40.7111.5M850 M936 Y966 E967M850-R963 HydrophobicContact SD-CB 3.97Å; M850-R963 HydrophobicContact SD-CG 4.21Å; M936-R963 HydrophobicContact CE-CG 3.85Å; M936-R963 HydrophobicContact SD-CB 4.45Å; M936-R963 HydrophobicContact SD-CG 3.88Å; M936-R963 PolarHBondContact SD-N 3.38Å; R963-Y966 WeakPolarHBondContact O-CB 3.28Å; R963-Y966 PolarHBondContact O-N 3.48Å; R963-E967 WeakPolarHBondContact O-CG 3.48Å; R963-E967 PolarHBondContact O-N 3.48Å
964Q98.6Very high98.5Very high103 Ų10347.6 Ų47.648%0.48124%0.235SC..Hα-helixtrans-64.2-46177.7-171.9595700111.4S962 Y966 E967 D968S962-Q964 VanDerWaalsContact C-N 3.25Å; S962-Q964 PolarHBondContact O-N 3.05Å; Q964-Y966 VanDerWaalsContact C-N 3.29Å; Q964-Y966 PolarHBondContact O-N 3.21Å; Q964-E967 PolarHBondContact O-N 3.26Å; Q964-D968 PolarHBondContact NE2-OD1 3.21Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 PolarHBondContact O-N 3.02Å
965E98.8Very high98.5Very high67 Ų6749.8 Ų49.831%0.31324%0.242SC..Hα-helixtrans-64.3-35.3177.1-172.6175.1-15700111.8A960 K961 S962 D968 I969A960-E965 HydrophobicContact CB-CB 4.17Å; A960-E965 HydrophobicContact CB-CG 4.19Å; K961-E965 WeakPolarHBondContact CA-OE2 3.42Å; K961-E965 WeakPolarHBondContact CB-OE2 3.38Å; K961-E965 WeakPolarHBondContact CG-OE2 3.43Å; K961-E965 PolarHBondContact N-OE2 3.16Å; S962-E965 PolarHBondContact O-N 3.36Å; S962-E965 WeakPolarHBondContact OG-CB 3.5Å; S962-E965 PolarHBondContact OG-N 3.5Å; E965-D968 PolarHBondContact O-N 3.36Å; E965-I969 HydrophobicContact CG-CD1 3.93Å; E965-I969 HydrophobicContact CG-CG1 4.33Å; E965-I969 WeakPolarHBondContact O-CB 3.49Å; E965-I969 VanDerWaalsContact O-CG1 3.27Å; E965-I969 WeakPolarHBondContact O-CG1 3.36Å; E965-I969 PolarHBondContact O-N 2.95Å
966Y98.9Very high98.5Very high0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-59-49.6173-179.4-72.1000110.5M850 W851 I854 L912 D913 V934 M936 A960 S962 R963 Q964 D968 A970M850-Y966 HydrophobicContact CE-CD1 3.42Å; M850-Y966 VanDerWaalsContact CE-CD1 3.42Å; M850-Y966 HydrophobicContact CE-CD2 4.09Å; M850-Y966 HydrophobicContact CE-CE1 3.42Å; M850-Y966 VanDerWaalsContact CE-CE1 3.42Å; M850-Y966 HydrophobicContact CE-CE2 4.04Å; M850-Y966 HydrophobicContact CE-CG 3.79Å; M850-Y966 HydrophobicContact CG-CD1 3.97Å; M850-Y966 HydrophobicContact CG-CE1 4.43Å; M850-Y966 HydrophobicContact SD-CD1 3.42Å; M850-Y966 WeakPolarHBondContact SD-CD1 3.48Å; M850-Y966 HydrophobicContact SD-CD2 4.46Å; M850-Y966 HydrophobicContact SD-CE1 4.06Å; M850-Y966 HydrophobicContact SD-CG 3.68Å; W851-Y966 PolarHBondContact NE1-OH 3.44Å; I854-Y966 HydrophobicContact CD1-CD1 3.96Å; I854-Y966 HydrophobicContact CD1-CE1 3.74Å; L912-Y966 VanDerWaalsContact CA-OH 3.27Å; L912-Y966 WeakPolarHBondContact CA-OH 3.32Å; L912-Y966 VanDerWaalsContact CB-OH 3.3Å; L912-Y966 WeakPolarHBondContact CB-OH 3.41Å; L912-Y966 HydrophobicContact CD2-CE1 4.16Å; D913-Y966 PolarHBondContact N-OH 2.91Å; D913-Y966 PolarHBondContact O-OH 2.95Å; V934-Y966 HydrophobicContact CB-CE2 4.33Å; V934-Y966 HydrophobicContact CG1-CD1 4.38Å; V934-Y966 HydrophobicContact CG1-CD2 3.74Å; V934-Y966 HydrophobicContact CG1-CE1 4.47Å; V934-Y966 HydrophobicContact CG1-CE2 3.9Å; V934-Y966 HydrophobicContact CG1-CG 4.02Å; V934-Y966 WeakPolarHBondContact O-CE2 3.43Å; M936-Y966 HydrophobicContact CB-CD2 3.97Å; A960-Y966 VanDerWaalsContact CB-CA 3.42Å; A960-Y966 HydrophobicContact CB-CD2 4.47Å; A960-Y966 VanDerWaalsContact CB-N 3.3Å; S962-Y966 PolarHBondContact O-N 3.41Å; R963-Y966 WeakPolarHBondContact O-CB 3.28Å; R963-Y966 PolarHBondContact O-N 3.48Å; Q964-Y966 VanDerWaalsContact C-N 3.29Å; Q964-Y966 PolarHBondContact O-N 3.21Å; Y966-D968 VanDerWaalsContact C-N 3.31Å; Y966-D968 PolarHBondContact O-N 2.9Å; Y966-A970 WeakPolarHBondContact O-CB 3.45Å; Y966-A970 PolarHBondContact O-N 3.34Å
967E98.9Very high98.3Very high15 Ų1552.4 Ų52.47%0.0726%0.256CS..Hα-helixtrans-61-41.9176.5-63-178.4-171.900111.6M850 N853 I854 R857 R963 Q964 A970 V971M850-E967 HydrophobicContact CG-CG 3.41Å; M850-E967 VanDerWaalsContact CG-CG 3.41Å; M850-E967 HydrophobicContact SD-CG 4.48Å; N853-E967 WeakPolarHBondContact CB-OE1 3.45Å; N853-E967 WeakPolarHBondContact CB-OE2 3.3Å; N853-E967 PolarHBondContact ND2-OE1 2.93Å; I854-E967 HydrophobicContact CD1-CG 4.38Å; I854-E967 HydrophobicContact CG1-CB 3.94Å; I854-E967 HydrophobicContact CG1-CG 4.01Å; R857-E967 VanDerWaalsContact NH1-CB 3.34Å; R857-E967 IonicContact NH1-OE2 2.88Å; R857-E967 PolarHBondContact NH1-OE2 3.41Å; R963-E967 WeakPolarHBondContact O-CG 3.48Å; R963-E967 PolarHBondContact O-N 3.48Å; Q964-E967 PolarHBondContact O-N 3.26Å; E967-A970 PolarHBondContact O-N 3.21Å; E967-V971 VanDerWaalsContact O-CB 3.29Å; E967-V971 WeakPolarHBondContact O-CB 3.42Å; E967-V971 WeakPolarHBondContact O-CG2 3.03Å; E967-V971 PolarHBondContact O-N 2.77Å
968D98.9Very high98Very high65 Ų6555 Ų5535%0.34827%0.268SS..Hα-helixtrans-67.2-42.8-177.2-64.4-18.1000112.1R857 Q964 E965 Y966 K972R857-D968 IonicContact CZ-OD1 2.94Å; R857-D968 VanDerWaalsContact CZ-OD1 3.28Å; R857-D968 IonicContact NH1-OD1 3.1Å; R857-D968 PolarHBondContact NH1-OD1 3.45Å; R857-D968 IonicContact NH2-OD1 3.4Å; R857-D968 PolarHBondContact NH2-OD1 3.2Å; Q964-D968 PolarHBondContact NE2-OD1 3.21Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 PolarHBondContact O-N 3.02Å; E965-D968 PolarHBondContact O-N 3.36Å; Y966-D968 VanDerWaalsContact C-N 3.31Å; Y966-D968 PolarHBondContact O-N 2.9Å; D968-K972 VanDerWaalsContact O-CB 3.25Å; D968-K972 WeakPolarHBondContact O-CB 3.42Å; D968-K972 PolarHBondContact O-N 2.88Å
969I98.8Very high97.9Very high21 Ų2157.1 Ų57.111%0.10828%0.276CS..Hα-helixtrans-61.8-48.4173.6-68.3168.2000109.8V934 L958 A960 E965 V971 K972 L973V934-I969 HydrophobicContact CG1-CB 4.21Å; V934-I969 HydrophobicContact CG1-CG2 3.95Å; V934-I969 HydrophobicContact CG2-CG2 3.8Å; L958-I969 HydrophobicContact CD2-CG2 4.44Å; A960-I969 HydrophobicContact CB-CD1 4.04Å; E965-I969 HydrophobicContact CG-CD1 3.93Å; E965-I969 HydrophobicContact CG-CG1 4.33Å; E965-I969 WeakPolarHBondContact O-CB 3.49Å; E965-I969 VanDerWaalsContact O-CG1 3.27Å; E965-I969 WeakPolarHBondContact O-CG1 3.36Å; E965-I969 PolarHBondContact O-N 2.95Å; I969-V971 PolarHBondContact O-N 3.27Å; I969-K972 PolarHBondContact O-N 3.18Å; I969-L973 HydrophobicContact CG2-CD1 3.98Å; I969-L973 WeakPolarHBondContact O-CG 3.41Å; I969-L973 PolarHBondContact O-N 2.96Å
970A98.9Very high97.8Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-60.6-47.5179.800000111.5Y834 I854 L912 V934 Y966 E967 K972 L973 G974Y834-A970 HydrophobicContact CE1-CB 4.27Å; Y834-A970 PolarHBondContact OH-O 3.02Å; I854-A970 HydrophobicContact CD1-CB 3.52Å; I854-A970 HydrophobicContact CG1-CB 3.92Å; I854-A970 HydrophobicContact CG2-CB 4.02Å; L912-A970 HydrophobicContact CD2-CB 3.84Å; V934-A970 HydrophobicContact CG2-CB 4.47Å; Y966-A970 WeakPolarHBondContact O-CB 3.45Å; Y966-A970 PolarHBondContact O-N 3.34Å; E967-A970 PolarHBondContact O-N 3.21Å; A970-K972 PolarHBondContact O-N 3.45Å; A970-L973 PolarHBondContact O-N 3.45Å; A970-G974 PolarHBondContact O-N 3.12Å
971V98.9Very high97.5Very high15 Ų1560.1 Ų60.19%0.09129%0.289CS..Hα-helixtrans-64-41.5179.11690000111I854 R857 V858 E967 I969 L973 G974 T975I854-V971 HydrophobicContact CB-CG2 4.28Å; I854-V971 HydrophobicContact CG1-CG2 4.28Å; I854-V971 HydrophobicContact CG2-CG2 4.08Å; R857-V971 HydrophobicContact CB-CG1 4.06Å; R857-V971 HydrophobicContact CB-CG2 3.67Å; R857-V971 HydrophobicContact CG-CG2 4.5Å; V858-V971 HydrophobicContact CG2-CB 4.18Å; V858-V971 HydrophobicContact CG2-CG1 4.08Å; V858-V971 HydrophobicContact CG2-CG2 3.97Å; E967-V971 VanDerWaalsContact O-CB 3.29Å; E967-V971 WeakPolarHBondContact O-CB 3.42Å; E967-V971 WeakPolarHBondContact O-CG2 3.03Å; E967-V971 PolarHBondContact O-N 2.77Å; I969-V971 PolarHBondContact O-N 3.27Å; V971-L973 VanDerWaalsContact C-N 3.35Å; V971-L973 PolarHBondContact O-N 2.66Å; V971-G974 CarbonylContact O-C 3.46Å; V971-G974 PolarHBondContact O-N 3.26Å; V971-T975 HydrophobicContact CG1-CG2 4.26Å; V971-T975 WeakPolarHBondContact O-CB 3.25Å; V971-T975 WeakPolarHBondContact O-CG2 3.5Å; V971-T975 PolarHBondContact O-N 2.84Å; V971-T975 PolarHBondContact O-OG1 3.44Å
972K98.7Very high97.3Very high98 Ų9855.6 Ų55.643%0.42627%0.269SS..Hα-helixtrans-59.4-46.8175.5-175.8179.2180-179.40111D968 I969 A970 G974 T975 D976 Y979D968-K972 VanDerWaalsContact O-CB 3.25Å; D968-K972 WeakPolarHBondContact O-CB 3.42Å; D968-K972 PolarHBondContact O-N 2.88Å; I969-K972 PolarHBondContact O-N 3.18Å; A970-K972 PolarHBondContact O-N 3.45Å; K972-G974 PolarHBondContact O-N 3.27Å; K972-T975 PolarHBondContact O-N 2.98Å; K972-D976 WeakPolarHBondContact O-CB 3.4Å; K972-D976 PolarHBondContact O-N 3.36Å; K972-Y979 HydrophobicContact CD-CD1 4.06Å; K972-Y979 HydrophobicContact CD-CE1 3.94Å; K972-Y979 HydrophobicContact CG-CD1 3.9Å; K972-Y979 HydrophobicContact CG-CE1 4.16Å
973L98.5Very high97.2Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-63.3-28.6175.3-70.8165.2000112.7V910 V934 L958 I969 A970 V971 Y979 L980 I983V910-L973 HydrophobicContact CG1-CD1 4.13Å; V910-L973 HydrophobicContact CG2-CB 3.76Å; V910-L973 HydrophobicContact CG2-CD1 4.23Å; V934-L973 HydrophobicContact CG2-CD1 3.61Å; L958-L973 HydrophobicContact CD2-CD1 3.76Å; I969-L973 HydrophobicContact CG2-CD1 3.98Å; I969-L973 WeakPolarHBondContact O-CG 3.41Å; I969-L973 PolarHBondContact O-N 2.96Å; A970-L973 PolarHBondContact O-N 3.45Å; V971-L973 VanDerWaalsContact C-N 3.35Å; V971-L973 PolarHBondContact O-N 2.66Å; L973-Y979 HydrophobicContact CD2-CD1 3.79Å; L973-Y979 HydrophobicContact CD2-CE1 3.65Å; L973-Y979 HydrophobicContact CG-CD1 4.38Å; L973-Y979 HydrophobicContact CG-CE1 4.13Å; L973-L980 HydrophobicContact CB-CD1 4.36Å; L973-L980 HydrophobicContact CD2-CD1 4.24Å; L973-L980 WeakPolarHBondContact O-CB 3.45Å; L973-I983 HydrophobicContact CD2-CB 4.05Å; L973-I983 HydrophobicContact CD2-CG1 4.07Å; L973-I983 HydrophobicContact CD2-CG2 4.13Å
974G98.3Very high97Very high5 Ų546.3 Ų46.35%0.05223%0.226CC..Hα-helixtrans-87-6.9177.200000115.6I832 Y834 V858 A970 V971 K972I832-G974 WeakPolarHBondContact CG1-O 3.31Å; Y834-G974 VanDerWaalsContact OH-CA 3.27Å; Y834-G974 WeakPolarHBondContact OH-CA 3.45Å; Y834-G974 PolarHBondContact OH-N 2.96Å; V858-G974 VanDerWaalsContact CG1-O 3.23Å; V858-G974 WeakPolarHBondContact CG1-O 3.4Å; A970-G974 PolarHBondContact O-N 3.12Å; V971-G974 CarbonylContact O-C 3.46Å; V971-G974 PolarHBondContact O-N 3.26Å; K972-G974 PolarHBondContact O-N 3.27Å
975T98.1Very high96.8Very high76 Ų7641.4 Ų41.447%0.46620%0.203SC..Hα-helixtrans-123-37.9-174.852.30000112.6V858 V971 K972 L977V858-T975 HydrophobicContact CB-CG2 4.49Å; V858-T975 HydrophobicContact CG1-CG2 4.2Å; V858-T975 HydrophobicContact CG2-CG2 4.04Å; V971-T975 HydrophobicContact CG1-CG2 4.26Å; V971-T975 WeakPolarHBondContact O-CB 3.25Å; V971-T975 WeakPolarHBondContact O-CG2 3.5Å; V971-T975 PolarHBondContact O-N 2.84Å; V971-T975 PolarHBondContact O-OG1 3.44Å; K972-T975 PolarHBondContact O-N 2.98Å; T975-L977 PolarHBondContact O-N 3.13Å
976D97.4Very high96.6Very high71 Ų7139 Ų3938%0.3819%0.191SC..  trans-90.390.8174.1-174.6-15.5000110K972 E978 Y979 L980K972-D976 WeakPolarHBondContact O-CB 3.4Å; K972-D976 PolarHBondContact O-N 3.36Å; D976-E978 VanDerWaalsContact C-N 3.28Å; D976-E978 PolarHBondContact O-N 3.5Å; D976-E978 PolarHBondContact OD1-N 2.96Å; D976-Y979 PolarHBondContact O-N 3.47Å; D976-Y979 PolarHBondContact OD1-N 3.46Å; D976-Y979 WeakPolarHBondContact OD2-CB 3.13Å; D976-L980 PolarHBondContact O-N 2.85Å
977L93.2Very high96.5Very high91 Ų9139 Ų3948%0.47619%0.191SC..Hα-helixtrans-64.9-29.6-175.6-59.8-176.1000113.3I832 T975 L980 K981I832-L977 HydrophobicContact CD1-CD2 3.94Å; T975-L977 PolarHBondContact O-N 3.13Å; L977-L980 HydrophobicContact CD2-CD2 4.49Å; L977-K981 VanDerWaalsContact O-CB 3.28Å; L977-K981 WeakPolarHBondContact O-CB 3.35Å; L977-K981 PolarHBondContact O-N 3.49Å
978E92.6Very high96.4Very high116 Ų11639.5 Ų39.554%0.54219%0.192SC..Hα-helixtrans-73.4-40.9175.4-76.6-62.2124.900110.6D976 K981 K982D976-E978 VanDerWaalsContact C-N 3.28Å; D976-E978 PolarHBondContact O-N 3.5Å; D976-E978 PolarHBondContact OD1-N 2.96Å; E978-K981 PolarHBondContact O-N 3.23Å; E978-K982 VanDerWaalsContact O-CB 3.29Å; E978-K982 WeakPolarHBondContact O-CB 3.11Å; E978-K982 PolarHBondContact O-N 2.96Å
979Y95.9Very high96.2Very high43 Ų4339.8 Ų39.817%0.16919%0.191CC..Hα-helixtrans-61.8-45.4171.3-176.4-110.3000111.8K972 L973 D976 K981 K982 I983K972-Y979 HydrophobicContact CD-CD1 4.06Å; K972-Y979 HydrophobicContact CD-CE1 3.94Å; K972-Y979 HydrophobicContact CG-CD1 3.9Å; K972-Y979 HydrophobicContact CG-CE1 4.16Å; L973-Y979 HydrophobicContact CD2-CD1 3.79Å; L973-Y979 HydrophobicContact CD2-CE1 3.65Å; L973-Y979 HydrophobicContact CG-CD1 4.38Å; L973-Y979 HydrophobicContact CG-CE1 4.13Å; D976-Y979 PolarHBondContact O-N 3.47Å; D976-Y979 PolarHBondContact OD1-N 3.46Å; D976-Y979 WeakPolarHBondContact OD2-CB 3.13Å; Y979-K981 PolarHBondContact O-N 3.44Å; Y979-K982 WeakPolarHBondContact O-CB 3.24Å; Y979-K982 PolarHBondContact O-N 3.09Å; Y979-I983 HydrophobicContact CD1-CG1 4.24Å; Y979-I983 HydrophobicContact CD2-CG1 4.22Å; Y979-I983 HydrophobicContact CE1-CG1 3.86Å; Y979-I983 HydrophobicContact CE2-CD1 3.91Å; Y979-I983 HydrophobicContact CE2-CG1 3.84Å; Y979-I983 HydrophobicContact CG-CG1 4.41Å; Y979-I983 WeakPolarHBondContact O-CG1 3.3Å; Y979-I983 PolarHBondContact O-N 3.38Å
980L96.3Very high96.1Very high8 Ų840.1 Ų40.14%0.04219%0.192CC..Hα-helixtrans-55.5-51.5174.7177.461.4000111.4I832 D909 V910 L973 D976 L977 K982 I983 R984I832-L980 HydrophobicContact CD1-CD2 3.73Å; D909-L980 HydrophobicContact CB-CD2 4.07Å; V910-L980 HydrophobicContact CG2-CD1 3.7Å; L973-L980 HydrophobicContact CB-CD1 4.36Å; L973-L980 HydrophobicContact CD2-CD1 4.24Å; L973-L980 WeakPolarHBondContact O-CB 3.45Å; D976-L980 PolarHBondContact O-N 2.85Å; L977-L980 HydrophobicContact CD2-CD2 4.49Å; L980-K982 VanDerWaalsContact C-N 3.29Å; L980-K982 PolarHBondContact O-N 3.08Å; L980-I983 PolarHBondContact O-N 3.46Å; L980-R984 HydrophobicContact CD1-CG 3.99Å; L980-R984 HydrophobicContact CG-CG 4.34Å; L980-R984 WeakPolarHBondContact O-CB 3.49Å; L980-R984 VanDerWaalsContact O-CG 3.27Å; L980-R984 WeakPolarHBondContact O-CG 3.37Å; L980-R984 PolarHBondContact O-N 3.37Å
981K92.9Very high96Very high86 Ų8640.2 Ų40.237%0.37419%0.192SC..Hα-helixtrans-58.8-41.2179.6-175.7177.4-178.21770111.9L977 E978 Y979 G985L977-K981 VanDerWaalsContact O-CB 3.28Å; L977-K981 WeakPolarHBondContact O-CB 3.35Å; L977-K981 PolarHBondContact O-N 3.49Å; E978-K981 PolarHBondContact O-N 3.23Å; Y979-K981 PolarHBondContact O-N 3.44Å; K981-G985 PolarHBondContact O-N 3.06Å
982K93.3Very high95.8Very high88 Ų8844 Ų4438%0.38321%0.211SC..Hα-helixtrans-63.3-47.1176.6-178.7-175.8179.4-1780111.8P749 E978 Y979 L980 G985 K986P749-K982 HydrophobicContact CB-CD 4.39Å; P749-K982 HydrophobicContact CB-CG 4.39Å; P749-K982 HydrophobicContact CG-CD 4.24Å; P749-K982 VanDerWaalsContact CG-CE 3.42Å; P749-K982 HydrophobicContact CG-CG 3.77Å; E978-K982 VanDerWaalsContact O-CB 3.29Å; E978-K982 WeakPolarHBondContact O-CB 3.11Å; E978-K982 PolarHBondContact O-N 2.96Å; Y979-K982 WeakPolarHBondContact O-CB 3.24Å; Y979-K982 PolarHBondContact O-N 3.09Å; L980-K982 VanDerWaalsContact C-N 3.29Å; L980-K982 PolarHBondContact O-N 3.08Å; K982-G985 PolarHBondContact O-N 3.04Å; K982-K986 PolarHBondContact O-N 3.43Å
983I96.5Very high95.6Very high1 Ų143.3 Ų43.31%0.00522%0.218CC..Hα-helixtrans-69-41179.4-64.5-62.5000111.4P932 E957 L958 L973 Y979 L980 G985 K986 V987P932-I983 HydrophobicContact CB-CG2 3.83Å; P932-I983 HydrophobicContact CG-CG2 3.72Å; E957-I983 HydrophobicContact CG-CD1 3.83Å; E957-I983 WeakPolarHBondContact OE1-CD1 3.39Å; L958-I983 HydrophobicContact CD1-CG2 4.2Å; L958-I983 HydrophobicContact CD2-CG2 4.06Å; L958-I983 HydrophobicContact CG-CG2 4.44Å; L973-I983 HydrophobicContact CD2-CB 4.05Å; L973-I983 HydrophobicContact CD2-CG1 4.07Å; L973-I983 HydrophobicContact CD2-CG2 4.13Å; Y979-I983 HydrophobicContact CD1-CG1 4.24Å; Y979-I983 HydrophobicContact CD2-CG1 4.22Å; Y979-I983 HydrophobicContact CE1-CG1 3.86Å; Y979-I983 HydrophobicContact CE2-CD1 3.91Å; Y979-I983 HydrophobicContact CE2-CG1 3.84Å; Y979-I983 HydrophobicContact CG-CG1 4.41Å; Y979-I983 WeakPolarHBondContact O-CG1 3.3Å; Y979-I983 PolarHBondContact O-N 3.38Å; L980-I983 PolarHBondContact O-N 3.46Å; I983-G985 VanDerWaalsContact C-N 3.32Å; I983-G985 PolarHBondContact O-N 3.1Å; I983-K986 WeakPolarHBondContact O-CB 3.48Å; I983-K986 PolarHBondContact O-N 2.9Å; I983-K986 VanDerWaalsContact O-N 3.16Å; I983-V987 HydrophobicContact CG2-CG2 4.43Å; I983-V987 WeakPolarHBondContact O-CG2 3.47Å; I983-V987 PolarHBondContact O-N 3.33Å
984R95.7Very high95.5Very high4 Ų444 Ų442%0.01522%0.224CC..Hα-helixtrans-58.1-44.2171.9-71.6178.166760.8111.6D721 A908 D909 P932 L980 K986 V987 W988D721-R984 IonicContact OD1-CZ 2.84Å; D721-R984 IonicContact OD1-NE 3.16Å; D721-R984 PolarHBondContact OD1-NE 3.1Å; D721-R984 IonicContact OD1-NH2 3.43Å; D721-R984 IonicContact OD2-CZ 3.9Å; D721-R984 VanDerWaalsContact OD2-CZ 3.24Å; D721-R984 IonicContact OD2-NE 2.93Å; D721-R984 PolarHBondContact OD2-NE 3.44Å; D721-R984 IonicContact OD2-NH2 3.64Å; D721-R984 PolarHBondContact OD2-NH2 3.31Å; A908-R984 PolarHBondContact O-NH1 2.68Å; D909-R984 PolarHBondContact O-NH1 3.3Å; P932-R984 HydrophobicContact CG-CB 4.39Å; P932-R984 HydrophobicContact CG-CG 3.63Å; L980-R984 HydrophobicContact CD1-CG 3.99Å; L980-R984 HydrophobicContact CG-CG 4.34Å; L980-R984 WeakPolarHBondContact O-CB 3.49Å; L980-R984 VanDerWaalsContact O-CG 3.27Å; L980-R984 WeakPolarHBondContact O-CG 3.37Å; L980-R984 PolarHBondContact O-N 3.37Å; R984-K986 PolarHBondContact O-N 2.78Å; R984-V987 PolarHBondContact O-N 3.14Å; R984-W988 VanDerWaalsContact O-CB 3.24Å; R984-W988 WeakPolarHBondContact O-CB 3.45Å; R984-W988 PolarHBondContact O-N 3.16Å
985G93.8Very high95.5Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-60.7-42.2173.900000112.9K981 K982 I983 W988 K989K981-G985 PolarHBondContact O-N 3.06Å; K982-G985 PolarHBondContact O-N 3.04Å; I983-G985 VanDerWaalsContact C-N 3.32Å; I983-G985 PolarHBondContact O-N 3.1Å; G985-W988 PolarHBondContact O-N 2.99Å; G985-K989 WeakPolarHBondContact O-CB 3.34Å; G985-K989 PolarHBondContact O-N 2.76Å
986K95.1Very high95.5Very high17 Ų1741.6 Ų41.67%0.07421%0.208CC..Hα-helixtrans-59.7-53.9175.4-169-172.3-177.8175.20111.2P749 G954 E957 K982 I983 R984 W988 K989 Q990P749-K986 HydrophobicContact CG-CB 3.98Å; P749-K986 HydrophobicContact CG-CD 3.9Å; P749-K986 HydrophobicContact CG-CG 4.07Å; G954-K986 WeakPolarHBondContact O-CE 3.3Å; G954-K986 PolarHBondContact O-NZ 3.25Å; E957-K986 VanDerWaalsContact CD-NZ 3.31Å; E957-K986 WeakPolarHBondContact OE1-CD 3.48Å; E957-K986 IonicContact OE1-NZ 2.8Å; E957-K986 PolarHBondContact OE1-NZ 3.39Å; E957-K986 IonicContact OE2-NZ 2.63Å; E957-K986 PolarHBondContact OE2-NZ 3.01Å; K982-K986 PolarHBondContact O-N 3.43Å; I983-K986 WeakPolarHBondContact O-CB 3.48Å; I983-K986 PolarHBondContact O-N 2.9Å; I983-K986 VanDerWaalsContact O-N 3.16Å; R984-K986 PolarHBondContact O-N 2.78Å; K986-W988 VanDerWaalsContact C-N 3.35Å; K986-W988 PolarHBondContact O-N 2.91Å; K986-K989 PolarHBondContact O-N 3.13Å; K986-Q990 HydrophobicContact CG-CG 4.32Å; K986-Q990 VanDerWaalsContact O-CB 3.3Å; K986-Q990 WeakPolarHBondContact O-CB 3.47Å; K986-Q990 WeakPolarHBondContact O-CG 3.45Å; K986-Q990 PolarHBondContact O-N 3.2Å
987V97.1Very high95.5Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-59.7-44.9178.5175.70000110.8L927 P932 L953 L958 I983 R984 K989 Q990 R991L927-V987 HydrophobicContact CD2-CG1 4.29Å; P932-V987 HydrophobicContact CB-CG2 4.29Å; P932-V987 HydrophobicContact CG-CG2 4.14Å; L953-V987 HydrophobicContact CD2-CB 4.49Å; L953-V987 HydrophobicContact CD2-CG1 4.07Å; L953-V987 HydrophobicContact CD2-CG2 4.23Å; L958-V987 HydrophobicContact CD1-CG2 4.28Å; I983-V987 HydrophobicContact CG2-CG2 4.43Å; I983-V987 WeakPolarHBondContact O-CG2 3.47Å; I983-V987 PolarHBondContact O-N 3.33Å; R984-V987 PolarHBondContact O-N 3.14Å; V987-K989 VanDerWaalsContact C-N 3.32Å; V987-K989 PolarHBondContact O-N 3.27Å; V987-Q990 PolarHBondContact O-N 3.2Å; V987-R991 WeakPolarHBondContact O-CB 3.4Å; V987-R991 PolarHBondContact O-N 2.99Å
988W96.3Very high95.8Very high24 Ų2437.5 Ų37.59%0.09119%0.186CC..Hα-helixtrans-62.8-35.5179.3-174.6-83.7000113.2L705 K706 K708 L762 A929 R984 G985 K986 R991L705-W988 WeakPolarHBondContact O-CH2 3.48Å; K706-W988 WeakPolarHBondContact O-CZ2 3.49Å; K708-W988 HydrophobicContact CB-CH2 3.93Å; K708-W988 HydrophobicContact CB-CZ2 4.28Å; K708-W988 HydrophobicContact CD-CH2 3.64Å; K708-W988 HydrophobicContact CD-CZ2 4.19Å; K708-W988 HydrophobicContact CD-CZ3 3.83Å; K708-W988 HydrophobicContact CG-CH2 3.72Å; K708-W988 HydrophobicContact CG-CZ2 3.89Å; K708-W988 HydrophobicContact CG-CZ3 4.41Å; L762-W988 HydrophobicContact CD2-CG 4.2Å; A929-W988 WeakPolarHBondContact O-CZ3 3.49Å; R984-W988 VanDerWaalsContact O-CB 3.24Å; R984-W988 WeakPolarHBondContact O-CB 3.45Å; R984-W988 PolarHBondContact O-N 3.16Å; G985-W988 PolarHBondContact O-N 2.99Å; K986-W988 VanDerWaalsContact C-N 3.35Å; K986-W988 PolarHBondContact O-N 2.91Å; W988-R991 WeakPolarHBondContact O-CG 3.47Å; W988-R991 PolarHBondContact O-NE 2.95Å
989K95Very high96.1Very high72 Ų7232.5 Ų32.531%0.31316%0.163SC..Hα-helixtrans-71.7-53.1172.8-173179.7174.1-178.70110.9L762 G985 K986 V987 R991 I992 S993L762-K989 HydrophobicContact CD1-CB 3.52Å; L762-K989 HydrophobicContact CD1-CG 4.01Å; G985-K989 WeakPolarHBondContact O-CB 3.34Å; G985-K989 PolarHBondContact O-N 2.76Å; K986-K989 PolarHBondContact O-N 3.13Å; V987-K989 VanDerWaalsContact C-N 3.32Å; V987-K989 PolarHBondContact O-N 3.27Å; K989-R991 VanDerWaalsContact C-N 3.34Å; K989-R991 PolarHBondContact O-N 3.08Å; K989-I992 PolarHBondContact O-N 3.11Å; K989-I992 VanDerWaalsContact O-N 3.16Å; K989-S993 PolarHBondContact O-N 2.82Å; K989-S993 PolarHBondContact O-OG 2.95Å
990Q95.7Very high96.2Very high28 Ų2837.5 Ų37.513%0.13119%0.186CC..Hα-helixtrans-68.3-29.8-170-74.5-178.5-15.400112.9L953 C955 K986 V987 I992 S993 S994L953-Q990 HydrophobicContact CD1-CB 3.7Å; L953-Q990 HydrophobicContact CG-CB 4.01Å; L953-Q990 WeakPolarHBondContact O-CB 3.35Å; L953-Q990 VanDerWaalsContact O-CD 3.23Å; L953-Q990 PolarHBondContact O-OE1 2.94Å; C955-Q990 PolarHBondContact SG-OE1 3.5Å; K986-Q990 HydrophobicContact CG-CG 4.32Å; K986-Q990 VanDerWaalsContact O-CB 3.3Å; K986-Q990 WeakPolarHBondContact O-CB 3.47Å; K986-Q990 WeakPolarHBondContact O-CG 3.45Å; K986-Q990 PolarHBondContact O-N 3.2Å; V987-Q990 PolarHBondContact O-N 3.2Å; Q990-I992 PolarHBondContact O-N 3.19Å; Q990-S993 WeakPolarHBondContact CA-OG 3.48Å; Q990-S993 PolarHBondContact O-N 3.41Å; Q990-S994 WeakPolarHBondContact O-CA 3.41Å; Q990-S994 WeakPolarHBondContact O-CB 3.43Å; Q990-S994 PolarHBondContact O-N 2.95Å; Q990-S994 PolarHBondContact O-OG 3.22Å; Q990-S994 VanDerWaalsContact O-OG 3.07Å
991R96.3Very high96.3Very high1 Ų140.1 Ų40.10%0.00420%0.198CC..Hα-helixtrans-58.1-22.5174.673.9179.2176.3134.41.8113.5L705 K706 L927 W928 L953 V987 W988 K989 F997L705-R991 PolarHBondContact O-NH1 3.44Å; L705-R991 PolarHBondContact O-NH2 2.88Å; K706-R991 PolarHBondContact O-NH2 3.29Å; L927-R991 WeakPolarHBondContact O-CD 3.15Å; W928-R991 WeakPolarHBondContact O-CD 3.37Å; W928-R991 PolarHBondContact O-NH1 3.12Å; L953-R991 HydrophobicContact CD1-CB 4.38Å; V987-R991 WeakPolarHBondContact O-CB 3.4Å; V987-R991 PolarHBondContact O-N 2.99Å; W988-R991 WeakPolarHBondContact O-CG 3.47Å; W988-R991 PolarHBondContact O-NE 2.95Å; K989-R991 VanDerWaalsContact C-N 3.34Å; K989-R991 PolarHBondContact O-N 3.08Å; R991-F997 HydrophobicContact CB-CD2 4.22Å; R991-F997 HydrophobicContact CB-CE2 4.08Å; R991-F997 WeakPolarHBondContact O-CD2 3.19Å
992I95.5Very high96.5Very high94 Ų9436.8 Ų36.848%0.48218%0.183SC..Hα-helixtrans-99-39.7177.4-53.4-56.7000111.5K706 W928 K989 Q990K706-I992 HydrophobicContact CG-CD1 4.18Å; W928-I992 HydrophobicContact CH2-CD1 3.71Å; W928-I992 HydrophobicContact CZ3-CD1 3.88Å; K989-I992 PolarHBondContact O-N 3.11Å; K989-I992 VanDerWaalsContact O-N 3.16Å; Q990-I992 PolarHBondContact O-N 3.19Å
993S94.7Very high96.8Very high84 Ų8432.6 Ų32.659%0.58717%0.165SC*.Hα-helixtrans-87-18.5-174.966.30000114.3K989 Q990K989-S993 PolarHBondContact O-N 2.82Å; K989-S993 PolarHBondContact O-OG 2.95Å; Q990-S993 WeakPolarHBondContact CA-OG 3.48Å; Q990-S993 PolarHBondContact O-N 3.41Å
994S97Very high96.9Very high16 Ų1637.4 Ų37.411%0.11219%0.189CC..SBendtrans-86.5164.4176.491.30000111Q990 L996Q990-S994 WeakPolarHBondContact O-CA 3.41Å; Q990-S994 WeakPolarHBondContact O-CB 3.43Å; Q990-S994 PolarHBondContact O-N 2.95Å; Q990-S994 PolarHBondContact O-OG 3.22Å; Q990-S994 VanDerWaalsContact O-OG 3.07Å; S994-L996 PolarHBondContact O-N 3.35Å; S994-L996 WeakPolarHBondContact OG-CB 3.39Å; S994-L996 PolarHBondContact OG-N 3.41Å
995P97.1Very high97Very high28 Ų2838.6 Ų38.618%0.18220%0.195CC..G310 helixtrans-74.3-5.5179.428.2-31.2000113.8H691 F997 N998H691-P995 HydrophobicContact CB-CG 4.36Å; P995-F997 VanDerWaalsContact C-N 3.26Å; P995-F997 PolarHBondContact O-N 3.03Å; P995-F997 VanDerWaalsContact O-N 3.12Å; P995-N998 PolarHBondContact O-N 3.47Å
996L98.2Very high97.2Very high1 Ų138.6 Ų38.61%0.00520%0.195CC..G310 helixtrans-56.8-33.9-169.9-175.563.3000114.4T692 I695 M924 L927 Q949 C952 L953 S994T692-L996 HydrophobicContact CG2-CD1 3.98Å; I695-L996 WeakPolarHBondContact CD1-O 3.46Å; M924-L996 HydrophobicContact CE-CD1 3.75Å; M924-L996 HydrophobicContact CE-CD2 4.35Å; M924-L996 HydrophobicContact CE-CG 3.68Å; M924-L996 WeakPolarHBondContact CE-O 3.47Å; M924-L996 HydrophobicContact SD-CD1 3.92Å; M924-L996 HydrophobicContact SD-CD2 4.43Å; M924-L996 HydrophobicContact SD-CG 4.21Å; L927-L996 HydrophobicContact CB-CD2 4.49Å; L927-L996 HydrophobicContact CD1-CD2 3.73Å; Q949-L996 HydrophobicContact CB-CD1 4.36Å; Q949-L996 HydrophobicContact CG-CD1 4.44Å; C952-L996 HydrophobicContact CB-CD1 4.17Å; L953-L996 HydrophobicContact CB-CD2 4.23Å; L953-L996 HydrophobicContact CD1-CD2 4.09Å; S994-L996 PolarHBondContact O-N 3.35Å; S994-L996 WeakPolarHBondContact OG-CB 3.39Å; S994-L996 PolarHBondContact OG-N 3.41Å
997F98.5Very high97.4Very high10 Ų1038.7 Ų38.74%0.04420%0.195CC..G310 helixtrans-116.113.5176.9-64.1-84.9000112.6H698 A699 M924 L927 W928 R991 P995 T999H698-F997 HydrophobicContact CB-CD1 3.96Å; H698-F997 HydrophobicContact CB-CE1 3.9Å; H698-F997 AromaticContact CG-CE1 3.74Å; H698-F997 AromaticContact ND1-CD1 4Å; H698-F997 AromaticContact ND1-CE1 3.55Å; A699-F997 HydrophobicContact CB-CB 4.39Å; M924-F997 HydrophobicContact CB-CE1 4.17Å; M924-F997 HydrophobicContact CB-CZ 4.39Å; M924-F997 HydrophobicContact CE-CD1 3.84Å; M924-F997 HydrophobicContact CE-CE1 3.45Å; M924-F997 VanDerWaalsContact CE-CE1 3.45Å; M924-F997 HydrophobicContact CE-CE2 4.31Å; M924-F997 HydrophobicContact CE-CG 4.43Å; M924-F997 HydrophobicContact CE-CZ 3.71Å; M924-F997 WeakPolarHBondContact O-CZ 3.48Å; M924-F997 HydrophobicContact SD-CZ 4.48Å; L927-F997 HydrophobicContact CB-CE2 4.31Å; L927-F997 HydrophobicContact CB-CZ 4.23Å; W928-F997 HydrophobicContact CB-CE1 4Å; W928-F997 HydrophobicContact CB-CZ 3.83Å; W928-F997 HydrophobicContact CD2-CD1 4.49Å; W928-F997 HydrophobicContact CD2-CE1 4.42Å; W928-F997 HydrophobicContact CE3-CB 4.18Å; W928-F997 AromaticContact CE3-CD1 3.66Å; W928-F997 HydrophobicContact CE3-CD1 3.66Å; W928-F997 AromaticContact CE3-CD2 3.67Å; W928-F997 HydrophobicContact CE3-CD2 3.67Å; W928-F997 AromaticContact CE3-CE1 3.85Å; W928-F997 HydrophobicContact CE3-CE1 3.85Å; W928-F997 AromaticContact CE3-CE2 3.87Å; W928-F997 HydrophobicContact CE3-CE2 3.87Å; W928-F997 AromaticContact CE3-CG 3.56Å; W928-F997 HydrophobicContact CE3-CG 3.56Å; W928-F997 AromaticContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CE3-CZ 3.95Å; W928-F997 HydrophobicContact CZ3-CB 3.79Å; W928-F997 HydrophobicContact CZ3-CD1 4.13Å; W928-F997 AromaticContact CZ3-CD2 3.96Å; W928-F997 HydrophobicContact CZ3-CD2 3.96Å; W928-F997 AromaticContact CZ3-CG 3.7Å; W928-F997 HydrophobicContact CZ3-CG 3.7Å; R991-F997 HydrophobicContact CB-CD2 4.22Å; R991-F997 HydrophobicContact CB-CE2 4.08Å; R991-F997 WeakPolarHBondContact O-CD2 3.19Å; P995-F997 VanDerWaalsContact C-N 3.26Å; P995-F997 PolarHBondContact O-N 3.03Å; P995-F997 VanDerWaalsContact O-N 3.12Å; F997-T999 PolarHBondContact O-N 2.99Å
998N98.3Very high97.4Very high66 Ų6644.4 Ų44.435%0.35322%0.217SC..  trans-88.380.2177.2-170.7-11.8000109.8P995 K1000 Q1001 Y1002P995-N998 PolarHBondContact O-N 3.47Å; N998-K1000 PolarHBondContact O-N 3.5Å; N998-Q1001 HydrophobicContact CB-CB 4.08Å; N998-Q1001 VanDerWaalsContact CG-CB 3.44Å; N998-Q1001 WeakPolarHBondContact ND2-CB 3.49Å; N998-Q1001 PolarHBondContact ND2-OE1 3.29Å; N998-Q1001 VanDerWaalsContact ND2-OE1 3.17Å; N998-Q1001 PolarHBondContact O-N 3.09Å; N998-Q1001 PolarHBondContact OD1-N 3.39Å; N998-Q1001 VanDerWaalsContact OD1-N 3.13Å; N998-Y1002 WeakPolarHBondContact O-CB 3.43Å; N998-Y1002 PolarHBondContact O-N 3.23Å
999T98.2Very high97.5Very high11 Ų1143.4 Ų43.47%0.06721%0.213CC..Hα-helixtrans-58.1-31.8-178.443.70000113.3M570 I695 F997 T1003M570-T999 VanDerWaalsContact CE-OG1 3.31Å; M570-T999 WeakPolarHBondContact CE-OG1 3.47Å; M570-T999 VanDerWaalsContact SD-CB 3.56Å; M570-T999 PolarHBondContact SD-OG1 2.96Å; I695-T999 HydrophobicContact CD1-CG2 4.06Å; I695-T999 HydrophobicContact CG1-CG2 3.84Å; F997-T999 PolarHBondContact O-N 2.99Å; T999-T1003 WeakPolarHBondContact O-CB 3.06Å; T999-T1003 PolarHBondContact O-N 3.48Å; T999-T1003 PolarHBondContact O-OG1 3.1Å
1000K98.2Very high97.7Very high149 Ų14940 Ų4065%0.64820%0.199SC*.Hα-helixtrans-68.9-48.8176.8-176.3173.7-179175.30111.7M570 N998 Y1002 T1003 M1004M570-K1000 HydrophobicContact SD-CB 4.02Å; M570-K1000 PolarHBondContact SD-N 3.27Å; M570-K1000 VanDerWaalsContact SD-N 3.38Å; N998-K1000 PolarHBondContact O-N 3.5Å; K1000-Y1002 VanDerWaalsContact C-N 3.33Å; K1000-T1003 PolarHBondContact O-N 3.29Å; K1000-M1004 PolarHBondContact O-N 3.17Å; K1000-M1004 VanDerWaalsContact O-N 3.1Å
1001Q98.1Very high97.8Very high63 Ų6341.6 Ų41.629%0.29421%0.208SC..Hα-helixtrans-63.1-42.7175.5-177.5179.5-3.700110.9N998 T1003 M1004 E1005N998-Q1001 HydrophobicContact CB-CB 4.08Å; N998-Q1001 VanDerWaalsContact CG-CB 3.44Å; N998-Q1001 WeakPolarHBondContact ND2-CB 3.49Å; N998-Q1001 PolarHBondContact ND2-OE1 3.29Å; N998-Q1001 VanDerWaalsContact ND2-OE1 3.17Å; N998-Q1001 PolarHBondContact O-N 3.09Å; N998-Q1001 PolarHBondContact OD1-N 3.39Å; N998-Q1001 VanDerWaalsContact OD1-N 3.13Å; Q1001-T1003 VanDerWaalsContact C-N 3.28Å; Q1001-T1003 PolarHBondContact O-N 2.98Å; Q1001-M1004 WeakPolarHBondContact O-CB 3.42Å; Q1001-M1004 PolarHBondContact O-N 3.07Å; Q1001-E1005 WeakPolarHBondContact O-CG 3.43Å; Q1001-E1005 PolarHBondContact O-N 3.19Å
1002Y98.6Very high97.9Very high15 Ų1544.6 Ų44.66%0.05922%0.222CC..Hα-helixtrans-54.6-45.5175-176.7-80.6000111.8I567 W652 M689 F693 I695 N998 K1000 M1004 E1005 L1006I567-Y1002 HydrophobicContact CD1-CD1 3.6Å; I567-Y1002 HydrophobicContact CD1-CE1 3.73Å; W652-Y1002 AromaticContact CZ2-CE1 3.67Å; W652-Y1002 HydrophobicContact CZ2-CE1 3.67Å; W652-Y1002 AromaticContact CZ2-CZ 3.94Å; W652-Y1002 WeakPolarHBondContact CZ2-OH 3.48Å; W652-Y1002 PolarHBondContact NE1-OH 3.09Å; M689-Y1002 HydrophobicContact CE-CD1 4.34Å; M689-Y1002 HydrophobicContact CE-CD2 3.89Å; M689-Y1002 HydrophobicContact CE-CE1 4.11Å; M689-Y1002 HydrophobicContact CE-CE2 3.68Å; M689-Y1002 HydrophobicContact CE-CG 4.22Å; F693-Y1002 WeakPolarHBondContact O-CE2 3.28Å; F693-Y1002 PolarHBondContact O-OH 3.08Å; I695-Y1002 HydrophobicContact CB-CD1 4.32Å; I695-Y1002 HydrophobicContact CB-CD2 3.82Å; I695-Y1002 HydrophobicContact CB-CE1 4.32Å; I695-Y1002 HydrophobicContact CB-CE2 3.77Å; I695-Y1002 HydrophobicContact CB-CG 4.1Å; I695-Y1002 HydrophobicContact CD1-CD2 3.77Å; I695-Y1002 HydrophobicContact CD1-CG 3.81Å; I695-Y1002 HydrophobicContact CG1-CD1 4.16Å; I695-Y1002 HydrophobicContact CG1-CD2 3.92Å; I695-Y1002 HydrophobicContact CG1-CE2 4.38Å; I695-Y1002 HydrophobicContact CG1-CG 3.8Å; I695-Y1002 HydrophobicContact CG2-CE1 4.24Å; I695-Y1002 HydrophobicContact CG2-CE2 4.4Å; N998-Y1002 WeakPolarHBondContact O-CB 3.43Å; N998-Y1002 PolarHBondContact O-N 3.23Å; K1000-Y1002 VanDerWaalsContact C-N 3.33Å; Y1002-M1004 PolarHBondContact O-N 3.46Å; Y1002-E1005 PolarHBondContact O-N 3.27Å; Y1002-L1006 HydrophobicContact CE1-CB 4.44Å; Y1002-L1006 HydrophobicContact CE1-CD2 4.22Å; Y1002-L1006 WeakPolarHBondContact O-CB 3.34Å; Y1002-L1006 PolarHBondContact O-N 3.1Å
1003T98.7Very high98.1Very high0 Ų040.1 Ų40.10%020%0.199CC..Hα-helixtrans-63.4-42.4179.3-53.40000111.4I567 M570 H571 T999 K1000 Q1001 E1005 L1006 E1007I567-T1003 HydrophobicContact CG2-CG2 4.16Å; M570-T1003 HydrophobicContact CB-CG2 4.15Å; H571-T1003 HydrophobicContact CB-CG2 4.4Å; T999-T1003 WeakPolarHBondContact O-CB 3.06Å; T999-T1003 PolarHBondContact O-N 3.48Å; T999-T1003 PolarHBondContact O-OG1 3.1Å; K1000-T1003 PolarHBondContact O-N 3.29Å; Q1001-T1003 VanDerWaalsContact C-N 3.28Å; Q1001-T1003 PolarHBondContact O-N 2.98Å; T1003-E1005 VanDerWaalsContact C-N 3.34Å; T1003-E1005 PolarHBondContact O-N 3.15Å; T1003-L1006 WeakPolarHBondContact O-CB 3.46Å; T1003-L1006 PolarHBondContact O-N 3.23Å; T1003-E1007 WeakPolarHBondContact O-CB 3.48Å; T1003-E1007 VanDerWaalsContact O-CG 3.27Å; T1003-E1007 WeakPolarHBondContact O-CG 3.29Å; T1003-E1007 PolarHBondContact O-N 3.46Å
1004M98.5Very high98.2Very high102 Ų10236.9 Ų36.950%0.50217%0.174SC..Hα-helixtrans-61.4-40175.3-174.8-168.973.600112.6K1000 Q1001 Y1002 E1007 R1008K1000-M1004 PolarHBondContact O-N 3.17Å; K1000-M1004 VanDerWaalsContact O-N 3.1Å; Q1001-M1004 WeakPolarHBondContact O-CB 3.42Å; Q1001-M1004 PolarHBondContact O-N 3.07Å; Y1002-M1004 PolarHBondContact O-N 3.46Å; M1004-E1007 WeakPolarHBondContact O-CB 3.24Å; M1004-E1007 PolarHBondContact O-N 3.36Å; M1004-R1008 PolarHBondContact O-N 3.31Å
1005E98.1Very high98.3Very high30 Ų3042.2 Ų42.214%0.1420%0.197CC..Hα-helixtrans-71-35.5176.3-62.6-55.9160.900112.1M689 P690 Q1001 Y1002 T1003 E1007 R1008 L1009M689-E1005 HydrophobicContact CE-CB 3.89Å; P690-E1005 HydrophobicContact CG-CB 3.88Å; P690-E1005 HydrophobicContact CG-CG 3.7Å; Q1001-E1005 WeakPolarHBondContact O-CG 3.43Å; Q1001-E1005 PolarHBondContact O-N 3.19Å; Y1002-E1005 PolarHBondContact O-N 3.27Å; T1003-E1005 VanDerWaalsContact C-N 3.34Å; T1003-E1005 PolarHBondContact O-N 3.15Å; E1005-E1007 VanDerWaalsContact C-N 3.34Å; E1005-R1008 WeakPolarHBondContact O-CB 3.45Å; E1005-R1008 PolarHBondContact O-N 3.46Å; E1005-L1009 PolarHBondContact O-N 3.25Å
1006L98.5Very high98.3Very high0 Ų043.1 Ų43.10%020%0.199CC..Hα-helixtrans-64.3-41.1173.8-174.264.7000111.2Y550 I567 W652 I668 M689 Y1002 T1003 L1009 Y1010Y550-L1006 WeakPolarHBondContact OH-CD2 3.44Å; I567-L1006 HydrophobicContact CG2-CD2 4.46Å; W652-L1006 HydrophobicContact CH2-CD2 4.47Å; W652-L1006 HydrophobicContact CZ2-CD2 4.4Å; I668-L1006 HydrophobicContact CD1-CD1 3.82Å; I668-L1006 HydrophobicContact CG2-CD1 4.44Å; M689-L1006 HydrophobicContact CE-CB 4.26Å; M689-L1006 HydrophobicContact SD-CB 4.42Å; M689-L1006 HydrophobicContact SD-CD1 4.08Å; Y1002-L1006 HydrophobicContact CE1-CB 4.44Å; Y1002-L1006 HydrophobicContact CE1-CD2 4.22Å; Y1002-L1006 WeakPolarHBondContact O-CB 3.34Å; Y1002-L1006 PolarHBondContact O-N 3.1Å; T1003-L1006 WeakPolarHBondContact O-CB 3.46Å; T1003-L1006 PolarHBondContact O-N 3.23Å; L1006-L1009 WeakPolarHBondContact O-CB 3.22Å; L1006-L1009 PolarHBondContact O-N 3.1Å; L1006-Y1010 HydrophobicContact CD1-CE1 3.98Å; L1006-Y1010 HydrophobicContact CD1-CE2 4.28Å; L1006-Y1010 HydrophobicContact CD2-CE2 3.97Å; L1006-Y1010 HydrophobicContact CG-CD2 4.28Å; L1006-Y1010 HydrophobicContact CG-CE1 4.26Å; L1006-Y1010 HydrophobicContact CG-CE2 3.65Å; L1006-Y1010 VanDerWaalsContact O-CG 3.32Å; L1006-Y1010 PolarHBondContact O-N 3.17Å
1007E98.6Very high98.3Very high18 Ų1844.8 Ų44.88%0.08421%0.205CC..Hα-helixtrans-60.1-44.7172.5-76.6178.5165.600112.2H571 N572 F576 T1003 M1004 E1005 L1009 Y1010 L1011H571-E1007 VanDerWaalsContact CA-OE1 3.24Å; H571-E1007 WeakPolarHBondContact CA-OE1 3.27Å; H571-E1007 IonicContact CE1-OE1 3.17Å; H571-E1007 IonicContact CG-OE1 3.78Å; H571-E1007 WeakPolarHBondContact ND1-CG 3.28Å; H571-E1007 IonicContact ND1-OE1 3.25Å; H571-E1007 PolarHBondContact ND1-OE1 2.82Å; N572-E1007 PolarHBondContact N-OE1 3.39Å; F576-E1007 HydrophobicContact CD1-CG 4.36Å; F576-E1007 HydrophobicContact CD2-CB 4.32Å; F576-E1007 HydrophobicContact CD2-CG 3.69Å; F576-E1007 WeakPolarHBondContact CD2-OE1 3.33Å; F576-E1007 HydrophobicContact CE1-CB 4.18Å; F576-E1007 HydrophobicContact CE1-CG 4.04Å; F576-E1007 HydrophobicContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CB 3.48Å; F576-E1007 VanDerWaalsContact CE2-CD 3.45Å; F576-E1007 HydrophobicContact CE2-CG 3.36Å; F576-E1007 HydrophobicContact CG-CG 4.2Å; F576-E1007 HydrophobicContact CZ-CB 3.39Å; F576-E1007 HydrophobicContact CZ-CG 3.55Å; T1003-E1007 WeakPolarHBondContact O-CB 3.48Å; T1003-E1007 VanDerWaalsContact O-CG 3.27Å; T1003-E1007 WeakPolarHBondContact O-CG 3.29Å; T1003-E1007 PolarHBondContact O-N 3.46Å; M1004-E1007 WeakPolarHBondContact O-CB 3.24Å; M1004-E1007 PolarHBondContact O-N 3.36Å; E1005-E1007 VanDerWaalsContact C-N 3.34Å; E1007-L1009 VanDerWaalsContact C-N 3.29Å; E1007-L1009 PolarHBondContact O-N 3.32Å; E1007-Y1010 PolarHBondContact O-N 3.12Å; E1007-L1011 WeakPolarHBondContact O-CG 3.47Å; E1007-L1011 PolarHBondContact O-N 3.48Å
1008R98.2Very high98.3Very high120 Ų12046.6 Ų46.645%0.45322%0.222SC..Hα-helixtrans-59.2-42.8174.9-173.5-179.7-179.5128.80.4111.3M1004 E1005 L1011 Q1012M1004-R1008 PolarHBondContact O-N 3.31Å; E1005-R1008 WeakPolarHBondContact O-CB 3.45Å; E1005-R1008 PolarHBondContact O-N 3.46Å; R1008-L1011 PolarHBondContact O-N 3.42Å; R1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; R1008-Q1012 PolarHBondContact O-N 3.04Å; R1008-Q1012 VanDerWaalsContact O-N 3.07Å
1009L98.4Very high98.3Very high4 Ų446.9 Ų46.92%0.02123%0.234CC..Hα-helixtrans-64.4-41176.7-173.662.3000111.8I668 A687 M689 E1005 L1006 E1007 Q1012 M1013 M1026I668-L1009 HydrophobicContact CG1-CD2 4.43Å; I668-L1009 HydrophobicContact CG2-CD2 4.06Å; A687-L1009 HydrophobicContact CB-CD1 4.1Å; A687-L1009 HydrophobicContact CB-CD2 4Å; A687-L1009 HydrophobicContact CB-CG 4.35Å; M689-L1009 HydrophobicContact CG-CD2 4.44Å; M689-L1009 HydrophobicContact SD-CD2 3.92Å; E1005-L1009 PolarHBondContact O-N 3.25Å; L1006-L1009 WeakPolarHBondContact O-CB 3.22Å; L1006-L1009 PolarHBondContact O-N 3.1Å; E1007-L1009 VanDerWaalsContact C-N 3.29Å; E1007-L1009 PolarHBondContact O-N 3.32Å; L1009-Q1012 WeakPolarHBondContact O-CB 3.21Å; L1009-Q1012 PolarHBondContact O-N 2.9Å; L1009-M1013 HydrophobicContact CD2-CE 4.28Å; L1009-M1013 HydrophobicContact CG-CE 4.08Å; L1009-M1013 WeakPolarHBondContact O-CG 3.35Å; L1009-M1013 PolarHBondContact O-N 2.97Å; L1009-M1026 HydrophobicContact CD1-CB 4.04Å
1010Y98.7Very high98.2Very high0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-63.7-39.2174.5-70.8-23000113.2V548 Y550 F576 I625 V627 I668 L1006 E1007 Q1012 M1013 W1014V548-Y1010 HydrophobicContact CG1-CD2 4.45Å; V548-Y1010 HydrophobicContact CG1-CE2 3.85Å; V548-Y1010 HydrophobicContact CG2-CD2 3.97Å; V548-Y1010 HydrophobicContact CG2-CE2 4.18Å; Y550-Y1010 WeakPolarHBondContact OH-CE2 3.49Å; Y550-Y1010 PolarHBondContact OH-OH 3.01Å; F576-Y1010 HydrophobicContact CE1-CD2 4.29Å; I625-Y1010 HydrophobicContact CD1-CD1 3.72Å; I625-Y1010 HydrophobicContact CD1-CG 3.85Å; I625-Y1010 HydrophobicContact CG2-CD1 4.19Å; I625-Y1010 HydrophobicContact CG2-CE1 4.11Å; V627-Y1010 HydrophobicContact CG2-CE1 4.49Å; V627-Y1010 WeakPolarHBondContact CG2-OH 3.45Å; I668-Y1010 HydrophobicContact CD1-CE1 3.85Å; L1006-Y1010 HydrophobicContact CD1-CE1 3.98Å; L1006-Y1010 HydrophobicContact CD1-CE2 4.28Å; L1006-Y1010 HydrophobicContact CD2-CE2 3.97Å; L1006-Y1010 HydrophobicContact CG-CD2 4.28Å; L1006-Y1010 HydrophobicContact CG-CE1 4.26Å; L1006-Y1010 HydrophobicContact CG-CE2 3.65Å; L1006-Y1010 VanDerWaalsContact O-CG 3.32Å; L1006-Y1010 PolarHBondContact O-N 3.17Å; E1007-Y1010 PolarHBondContact O-N 3.12Å; Y1010-Q1012 VanDerWaalsContact C-N 3.33Å; Y1010-M1013 HydrophobicContact CD1-SD 4.02Å; Y1010-M1013 PolarHBondContact O-N 3.21Å; Y1010-W1014 WeakPolarHBondContact O-CB 3.31Å; Y1010-W1014 PolarHBondContact O-N 3.24Å
1011L98.2Very high98.2Very high62 Ų6246.2 Ų46.233%0.32525%0.252SS..Hα-helixtrans-62.7-41.8173.6-68.7170.9000111.1F576 E1007 R1008 M1013 W1014 E1015F576-L1011 HydrophobicContact CZ-CD1 4.28Å; F576-L1011 HydrophobicContact CZ-CD2 4.16Å; F576-L1011 HydrophobicContact CZ-CG 3.92Å; E1007-L1011 WeakPolarHBondContact O-CG 3.47Å; E1007-L1011 PolarHBondContact O-N 3.48Å; R1008-L1011 PolarHBondContact O-N 3.42Å; L1011-M1013 PolarHBondContact O-N 2.91Å; L1011-W1014 PolarHBondContact O-N 3.29Å; L1011-E1015 WeakPolarHBondContact O-CB 3.31Å; L1011-E1015 VanDerWaalsContact O-CG 3.25Å; L1011-E1015 WeakPolarHBondContact O-CG 3.5Å; L1011-E1015 PolarHBondContact O-N 3.43Å
1012Q98Very high98.2Very high63 Ų6351.9 Ų51.929%0.29428%0.276SS..Hα-helixtrans-60.4-45.8174.4-69.9175.2-1900112.2R1008 L1009 Y1010 W1014 H1016 M1026R1008-Q1012 WeakPolarHBondContact O-CG 3.49Å; R1008-Q1012 PolarHBondContact O-N 3.04Å; R1008-Q1012 VanDerWaalsContact O-N 3.07Å; L1009-Q1012 WeakPolarHBondContact O-CB 3.21Å; L1009-Q1012 PolarHBondContact O-N 2.9Å; Y1010-Q1012 VanDerWaalsContact C-N 3.33Å; Q1012-W1014 VanDerWaalsContact C-N 3.33Å; Q1012-W1014 PolarHBondContact O-N 3.32Å; Q1012-H1016 WeakPolarHBondContact O-CB 3.45Å; Q1012-H1016 PolarHBondContact O-N 3.12Å; Q1012-H1016 VanDerWaalsContact O-N 3.1Å; Q1012-M1026 HydrophobicContact CB-SD 4.39Å
1013M98.5Very high98.1Very high1 Ų153.2 Ų53.21%0.00529%0.286CS..Hα-helixtrans-58-46.6175.1-69.3176.3177.800111.4I625 I648 Y666 I668 A687 L1009 Y1010 L1011 Y1017I625-M1013 HydrophobicContact CD1-CB 4.17Å; I625-M1013 HydrophobicContact CD1-SD 4.32Å; I648-M1013 HydrophobicContact CD1-CB 4.27Å; I648-M1013 HydrophobicContact CG2-SD 4.44Å; Y666-M1013 HydrophobicContact CD1-CE 4.09Å; Y666-M1013 HydrophobicContact CD2-CE 4.31Å; Y666-M1013 HydrophobicContact CD2-CG 4.34Å; Y666-M1013 HydrophobicContact CD2-SD 4.22Å; Y666-M1013 HydrophobicContact CE2-CG 4.23Å; Y666-M1013 HydrophobicContact CG-CE 3.84Å; Y666-M1013 HydrophobicContact CG-SD 4.34Å; I668-M1013 HydrophobicContact CG1-CE 4.16Å; A687-M1013 HydrophobicContact CB-CE 3.31Å; L1009-M1013 HydrophobicContact CD2-CE 4.28Å; L1009-M1013 HydrophobicContact CG-CE 4.08Å; L1009-M1013 WeakPolarHBondContact O-CG 3.35Å; L1009-M1013 PolarHBondContact O-N 2.97Å; Y1010-M1013 HydrophobicContact CD1-SD 4.02Å; Y1010-M1013 PolarHBondContact O-N 3.21Å; L1011-M1013 PolarHBondContact O-N 2.91Å; M1013-Y1017 WeakPolarHBondContact O-CB 3.48Å; M1013-Y1017 PolarHBondContact O-N 3.09Å
1014W98.5Very high98.1Very high16 Ų1657 Ų576%0.06131%0.307CS..Hα-helixtrans-68.2-45.2-178.7178.8-107.4000112.7L539 L546 H624 P647 I648 Y1010 L1011 Q1012 H1016 Y1017 A1018L539-W1014 HydrophobicContact CD2-CD2 4.14Å; L539-W1014 VanDerWaalsContact CD2-CE2 3.43Å; L539-W1014 HydrophobicContact CD2-CH2 4.27Å; L539-W1014 HydrophobicContact CD2-CZ2 3.5Å; L539-W1014 HydrophobicContact CG-CZ2 3.97Å; L546-W1014 HydrophobicContact CD1-CB 3.89Å; L546-W1014 HydrophobicContact CD1-CD2 3.62Å; L546-W1014 HydrophobicContact CD1-CE3 3.9Å; L546-W1014 HydrophobicContact CD1-CG 3.59Å; L546-W1014 HydrophobicContact CD2-CB 4.29Å; H624-W1014 HydrophobicContact CB-CE3 3.96Å; H624-W1014 HydrophobicContact CB-CZ3 3.82Å; H624-W1014 AromaticContact CD2-CH2 3.37Å; H624-W1014 WeakPolarHBondContact CD2-CH2 3.24Å; H624-W1014 AromaticContact CD2-CZ3 3.51Å; H624-W1014 AromaticContact CG-CZ3 3.97Å; P647-W1014 HydrophobicContact CG-CZ3 4.3Å; I648-W1014 HydrophobicContact CD1-CE3 4.08Å; Y1010-W1014 WeakPolarHBondContact O-CB 3.31Å; Y1010-W1014 PolarHBondContact O-N 3.24Å; L1011-W1014 PolarHBondContact O-N 3.29Å; Q1012-W1014 VanDerWaalsContact C-N 3.33Å; Q1012-W1014 PolarHBondContact O-N 3.32Å; W1014-H1016 VanDerWaalsContact C-N 3.29Å; W1014-H1016 PolarHBondContact O-N 2.9Å; W1014-Y1017 AromaticContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CH2-CD1 4.15Å; W1014-Y1017 HydrophobicContact CH2-CE1 4.26Å; W1014-Y1017 AromaticContact CZ3-CD1 3.58Å; W1014-Y1017 HydrophobicContact CZ3-CD1 3.58Å; W1014-Y1017 AromaticContact CZ3-CE1 3.91Å; W1014-Y1017 HydrophobicContact CZ3-CE1 3.91Å; W1014-Y1017 PolarHBondContact O-N 2.81Å; W1014-A1018 HydrophobicContact CZ2-CB 4.48Å; W1014-A1018 WeakPolarHBondContact O-CB 3.38Å; W1014-A1018 PolarHBondContact O-N 3.01Å
1015E97.9Very high98.1Very high128 Ų12855.1 Ų55.160%0.59830%0.296SS*.Hα-helixtrans-58-43.3177-76.5173.1-171.800111.2L1011 A1018 A1019L1011-E1015 WeakPolarHBondContact O-CB 3.31Å; L1011-E1015 VanDerWaalsContact O-CG 3.25Å; L1011-E1015 WeakPolarHBondContact O-CG 3.5Å; L1011-E1015 PolarHBondContact O-N 3.43Å; E1015-A1018 PolarHBondContact O-N 2.95Å; E1015-A1019 WeakPolarHBondContact O-CB 3.49Å; E1015-A1019 PolarHBondContact O-N 3.15Å
1016H98.1Very high98.1Very high47 Ų4754.9 Ų54.922%0.21830%0.296CS..Hα-helixtrans-63.8-45176.9-172.272000112.1Q1012 W1014 A1019 N1021 K1022 M1026Q1012-H1016 WeakPolarHBondContact O-CB 3.45Å; Q1012-H1016 PolarHBondContact O-N 3.12Å; Q1012-H1016 VanDerWaalsContact O-N 3.1Å; W1014-H1016 VanDerWaalsContact C-N 3.29Å; W1014-H1016 PolarHBondContact O-N 2.9Å; H1016-A1019 PolarHBondContact O-N 3.3Å; H1016-N1021 WeakPolarHBondContact CE1-CB 3.48Å; H1016-N1021 PolarHBondContact ND1-ND2 3.12Å; H1016-N1021 VanDerWaalsContact NE2-CB 3.34Å; H1016-N1021 WeakPolarHBondContact NE2-CB 3.48Å; H1016-N1021 WeakPolarHBondContact O-CB 3.26Å; H1016-N1021 PolarHBondContact O-N 2.73Å; H1016-K1022 PolarHBondContact CD2-O 3.41Å; H1016-K1022 PolarHBondContact NE2-O 3.06Å; H1016-M1026 HydrophobicContact CB-CE 3.39Å
1017Y98.3Very high97.7Very high35 Ų3557.9 Ų57.914%0.13731%0.311CS..Hα-helixtrans-65.5-45.1176.2175.4-94000112.7H535 P536 K537 P647 I648 M1013 W1014 A1019 G1020H535-Y1017 WeakPolarHBondContact CB-OH 3.4Å; P536-Y1017 WeakPolarHBondContact O-CE1 3.24Å; K537-Y1017 HydrophobicContact CD-CE1 3.81Å; K537-Y1017 VanDerWaalsContact CD-OH 3.25Å; K537-Y1017 WeakPolarHBondContact CD-OH 3.34Å; K537-Y1017 WeakPolarHBondContact CE-OH 3.38Å; P647-Y1017 HydrophobicContact CB-CD1 4.35Å; P647-Y1017 HydrophobicContact CB-CD2 4.24Å; P647-Y1017 HydrophobicContact CB-CE1 3.7Å; P647-Y1017 HydrophobicContact CB-CE2 3.54Å; P647-Y1017 VanDerWaalsContact CB-OH 3.32Å; P647-Y1017 WeakPolarHBondContact CB-OH 3.46Å; P647-Y1017 HydrophobicContact CG-CE1 4.15Å; I648-Y1017 HydrophobicContact CD1-CG 4.08Å; I648-Y1017 HydrophobicContact CG1-CD2 4.19Å; I648-Y1017 HydrophobicContact CG1-CG 4.09Å; M1013-Y1017 WeakPolarHBondContact O-CB 3.48Å; M1013-Y1017 PolarHBondContact O-N 3.09Å; W1014-Y1017 AromaticContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CE3-CD1 3.97Å; W1014-Y1017 HydrophobicContact CH2-CD1 4.15Å; W1014-Y1017 HydrophobicContact CH2-CE1 4.26Å; W1014-Y1017 AromaticContact CZ3-CD1 3.58Å; W1014-Y1017 HydrophobicContact CZ3-CD1 3.58Å; W1014-Y1017 AromaticContact CZ3-CE1 3.91Å; W1014-Y1017 HydrophobicContact CZ3-CE1 3.91Å; W1014-Y1017 PolarHBondContact O-N 2.81Å; Y1017-A1019 PolarHBondContact O-N 2.89Å; Y1017-G1020 WeakPolarHBondContact O-CA 3.41Å; Y1017-G1020 PolarHBondContact O-N 3.36Å
1018A97.5Very high96.6Very high49 Ų4965.8 Ų65.841%0.40535%0.345SS..Hα-helixtrans-65.1-27.1-179.300000112.1W1014 E1015 G1020W1014-A1018 HydrophobicContact CZ2-CB 4.48Å; W1014-A1018 WeakPolarHBondContact O-CB 3.38Å; W1014-A1018 PolarHBondContact O-N 3.01Å; E1015-A1018 PolarHBondContact O-N 2.95Å; A1018-G1020 PolarHBondContact O-N 3.09Å
1019A97.8Very high94.9Very high72 Ų7265.5 Ų65.560%0.59536%0.359SS*.THydrogen-bonded Turntrans-71.2-1.5168.900000113.9E1015 H1016 Y1017E1015-A1019 WeakPolarHBondContact O-CB 3.49Å; E1015-A1019 PolarHBondContact O-N 3.15Å; H1016-A1019 PolarHBondContact O-N 3.3Å; Y1017-A1019 PolarHBondContact O-N 2.89Å
1020G96.9Very high92.7Very high66 Ų6667.7 Ų67.768%0.6837%0.372SS*.THydrogen-bonded Turntrans85.59.1179.500000114.3Y1017 A1018Y1017-G1020 WeakPolarHBondContact O-CA 3.41Å; Y1017-G1020 PolarHBondContact O-N 3.36Å; A1018-G1020 PolarHBondContact O-N 3.09Å
1021N98.2Very high89.9Confident79 Ų7975.7 Ų75.742%0.42241%0.41SS..PPolyproline II helixtrans-81.8149.3-179.5-58.7-43.1000111.6H1016H1016-N1021 WeakPolarHBondContact CE1-CB 3.48Å; H1016-N1021 PolarHBondContact ND1-ND2 3.12Å; H1016-N1021 VanDerWaalsContact NE2-CB 3.34Å; H1016-N1021 WeakPolarHBondContact NE2-CB 3.48Å; H1016-N1021 WeakPolarHBondContact O-CB 3.26Å; H1016-N1021 PolarHBondContact O-N 2.73Å
1022K97.5Very high87Confident183 Ų18378.8 Ų78.880%0.79643%0.431SS*.PPolyproline II helixtrans-73.8157.7165.8-69.2-177.2-178.5179.10110.1H1016 D1024H1016-K1022 PolarHBondContact CD2-O 3.41Å; H1016-K1022 PolarHBondContact NE2-O 3.06Å; K1022-D1024 PolarHBondContact O-N 3.04Å
1023P98.3Very high83.7Confident42 Ų4280.6 Ų80.627%0.27345%0.446SS..PPolyproline II helixtrans-49.4130.9176.6-28.234.6000112.8D665 Y666 K685D665-P1023 HydrophobicContact CB-CB 3.97Å; D665-P1023 HydrophobicContact CB-CG 3.53Å; Y666-P1023 HydrophobicContact CE2-CB 3.79Å; Y666-P1023 HydrophobicContact CE2-CG 4.26Å; Y666-P1023 WeakPolarHBondContact OH-CA 3.48Å; K685-P1023 WeakPolarHBondContact CE-O 3.48Å; K685-P1023 HydrophobicContact CG-CB 3.98Å
1024D98Very high80.4Confident81 Ų8189.9 Ų89.943%0.43349%0.49SS..  trans-139.1161.9171.6-149.3-20.2000110.6Y666 K685 K1022 M1026Y666-D1024 WeakPolarHBondContact CE1-O 3.46Å; Y666-D1024 PolarHBondContact OH-N 3.36Å; Y666-D1024 PolarHBondContact OH-O 3.33Å; K685-D1024 IonicContact NZ-OD1 2.77Å; K1022-D1024 PolarHBondContact O-N 3.04Å; D1024-M1026 PolarHBondContact O-N 3.07Å
1025H98.1Very high76.9Confident61 Ų6194 Ų9428%0.28252%0.521SS..  trans-56.8124.5-175.3-63.5-79.8000112.2L686 I1027L686-H1025 PolarHBondContact N-ND1 3.28Å; L686-H1025 VanDerWaalsContact N-ND1 3.16Å; L686-H1025 CarbonylContact O-C 3.46Å; L686-H1025 WeakPolarHBondContact O-CA 3.33Å; H1025-I1027 HydrophobicContact CB-CD1 4.13Å; H1025-I1027 HydrophobicContact CB-CG1 4Å; H1025-I1027 HydrophobicContact CB-CG2 3.91Å; H1025-I1027 PolarHBondContact O-N 3.19Å
1026M97.4Very high73.6Confident26 Ų2696.4 Ų96.413%0.12856%0.563CS.*BIsolated β-bridgetrans-95.570.3173.1-60-58178.900109.5Y666 L686 A687 Y688 L1009 Q1012 H1016 D1024Y666-M1026 HydrophobicContact CE1-CG 3.98Å; Y666-M1026 WeakPolarHBondContact OH-CE 3.47Å; L686-M1026 PolarHBondContact O-N 3.48Å; A687-M1026 HydrophobicContact CB-CB 4.27Å; Y688-M1026 PolarHBondContact N-O 2.97Å; L1009-M1026 HydrophobicContact CD1-CB 4.04Å; Q1012-M1026 HydrophobicContact CB-SD 4.39Å; H1016-M1026 HydrophobicContact CB-CE 3.39Å; D1024-M1026 PolarHBondContact O-N 3.07Å
1027I90.9Very high72.4Confident62 Ų6298.9 Ų98.932%0.31858%0.58SS.*  trans-117.311.2-169.461.1169.6000113.8L686 Y688 H1025L686-I1027 HydrophobicContact CB-CG2 4.03Å; Y688-I1027 HydrophobicContact CD1-CG2 3.95Å; Y688-I1027 HydrophobicContact CD2-CB 3.74Å; Y688-I1027 HydrophobicContact CD2-CG2 3.75Å; Y688-I1027 HydrophobicContact CE1-CG2 3.74Å; Y688-I1027 HydrophobicContact CE2-CB 3.61Å; Y688-I1027 HydrophobicContact CE2-CG2 3.52Å; Y688-I1027 HydrophobicContact CG-CB 4.34Å; Y688-I1027 HydrophobicContact CG-CG2 3.94Å; Y688-I1027 VanDerWaalsContact CZ-CG2 3.5Å; H1025-I1027 HydrophobicContact CB-CD1 4.13Å; H1025-I1027 HydrophobicContact CB-CG1 4Å; H1025-I1027 HydrophobicContact CB-CG2 3.91Å; H1025-I1027 PolarHBondContact O-N 3.19Å
1028K74.4Confident71Confident185 Ų185102.3 Ų102.380%0.80460%0.603SS**  trans-61.4129178-76.4-174.2179.7178.90109V1030K1028-V1030 PolarHBondContact O-N 3.34Å; K1028-V1030 VanDerWaalsContact O-N 3.11Å
1029P62.6Low69.6Low114 Ų114105.2 Ų105.274%0.7461%0.614SS**  trans-54.5122.5168.4-18.229000107.4E1031P1029-E1031 PolarHBondContact O-N 3.3Å
1030V52Low67.9Low49 Ų49107.2 Ų107.230%0.29762%0.615SS.*  trans-64.9112.2174.1-177.60000105.8P690 K1028 V1032P690-V1030 HydrophobicContact CB-CG2 4.3Å; K1028-V1030 PolarHBondContact O-N 3.34Å; K1028-V1030 VanDerWaalsContact O-N 3.11Å; V1030-V1032 VanDerWaalsContact C-N 3.31Å; V1030-V1032 PolarHBondContact O-N 2.7Å
1031E40.3Very low66.1Low169 Ų169109.8 Ų109.879%0.7961%0.611SS**  trans-58.3102.8164.5-78-177170.300106.3P1029 T1033P1029-E1031 PolarHBondContact O-N 3.3Å; E1031-T1033 PolarHBondContact O-N 3.42Å
1032V37.2Very low64Low127 Ų127111.8 Ų111.877%0.7762%0.624SS**  trans-64.893.3172-1770000105.3V1030 E1034V1030-V1032 VanDerWaalsContact C-N 3.31Å; V1030-V1032 PolarHBondContact O-N 2.7Å; V1032-E1034 PolarHBondContact O-N 3.22Å; V1032-E1034 VanDerWaalsContact O-N 3.14Å
1033T29Very low61.6Low100 Ų100106.7 Ų106.761%0.61361%0.611SS**  trans-69108.9169.119.50000105.4E1031 S1035E1031-T1033 PolarHBondContact O-N 3.42Å; T1033-S1035 PolarHBondContact O-N 3.43Å
1034E28.6Very low58.7Low197 Ų197111.7 Ų111.792%0.92164%0.638SS**  trans-60.382.1168-74.3-177.1156.700108.8V1032V1032-E1034 PolarHBondContact O-N 3.22Å; V1032-E1034 VanDerWaalsContact O-N 3.14Å
1035S26.5Very low55.5Low103 Ų103114.3 Ų114.372%0.7266%0.655SS**  trans-147.881.7163.666.70000108.7T1033T1033-S1035 PolarHBondContact O-N 3.43Å
1036A28.5Very low51.6Low178 Ų178119.1 Ų119.1100%1.47169%0.688SS**  trans-130.60157.200000108

Retrieved 1,036 of 1,036 residues in 287.4 ms (Link to these results)