OGT1_RABIT Loading...

UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit

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 liver (By similarity). Stabilizes clock proteins BMAL1 and CLOCK through O-glycosylation, which prevents their ubiquitination and subsequent degradation (By similarity). Promotes the CLOCK-BMAL1-mediated transcription of genes in the negative loop of the circadian clock such as PER1/2 and CRY1/2 (By similarity). 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). Catalyzes the transfer of a single N-acetylglucosamine from UDP-GlcNAc to a serine or threonine residue2. Acts on cytoplasmic and nuclear proteins resulting in their modification with a beta-linked N-acetylglucosamine (O-GlcNAc). Glycosylates a large and diverse number of proteins including histone H2B, AKT1, ATG4B, EZH2, PFKL, KMT2E/MLL5, MAPT/TAU, NOD2 and HCFC1. Can regulate their cellular processes via cross-talk between glycosylation and phosphorylation or by affecting proteolytic processing. Probably by glycosylating KMT2E/MLL5, stabilizes KMT2E/MLL5 by preventing its ubiquitination (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. Component of a THAP1/THAP3-HCFC1-OGT complex that is required for the regulation of the transcriptional activity of RRM1. 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). As part of the NSL complex indirectly involved in acetylation of nucleosomal histone H4 on several lysine residues. O-GlcNAcylation of 'Ser-75' of EZH2 increases its stability, and facilitating the formation of H3K27me3 by the PRC2/EED-EZH2 complex. Regulates circadian oscillation of the clock genes and glucose homeostasis in the liver. Stabilizes clock proteins BMAL1 and CLOCK through O-glycosylation, which prevents their ubiquitination and subsequent degradation. Promotes the CLOCK-BMAL1-mediated transcription of genes in the negative loop of the circadian clock such as PER1/2 and CRY1/2. O-glycosylates HCFC1 and regulates its proteolytic processing and transcriptional activity (By similarity). Regulates mitochondrial motility in neurons by mediating glycosylation of TRAK1 (By similarity). Glycosylates HOXA1 (By similarity). O-glycosylates FNIP1 (By similarity). Promotes autophagy by mediating O-glycosylation of ATG4B (By similarity).

AlphaFold DB , UniProt , Accession P81436, Species RABIT (Oryctolagus cuniculus, Rabbit), Gene OGT, Length 1,046 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M36.3Very low32.4Very low244 Ų244126.1 Ų126.1100%1.20281%0.808SS**  01300-68.8-168.1-155.300108.2
2A35.9Very low32.3Very low92 Ų92126.8 Ų126.876%0.7681%0.81SS**  trans43.7123.7160.700000119.7
3S35.8Very low32.2Very low114 Ų114131.8 Ų131.880%0.79782%0.817SS**  cis74.7103.744.480.30000116.7
4S36.6Very low32.6Very low115 Ų115130.8 Ų130.880%0.80481%0.812SS**  trans171.4127.9142.156.80000107.6
5V34.7Very low32.8Very low152 Ų152130.2 Ų130.292%0.92181%0.808SS**  cis82.1121.649.1-176.10000114.6
6G29.7Very low33.5Very low66 Ų66135.2 Ų135.268%0.6882%0.815SS**  trans101144.9154.600000115.2
7N28.9Very low34.1Very low149 Ų149140.4 Ų140.480%0.79782%0.816SS**  cis-171.8135.4-1.1-116.1-1.8000105.3
8V30.2Very low35.2Very low127 Ų127141.8 Ų141.877%0.7782%0.816SS**  74.9128101.9-179.40000117.2
9A28.7Very low36.4Very low83 Ų83139.4 Ų139.469%0.68680%0.8SS**  trans85.3114.4152.200000121.1
10D30.9Very low38.4Very low147 Ų147136.3 Ų136.379%0.78679%0.787SS**  -175.8106.4106.2-101.9-4.4000108.4
11S28.8Very low40.7Very low98 Ų98132.3 Ų132.369%0.68576%0.761SS**  50.993.896.273.90000114.6
12T31.6Very low42.9Very low135 Ų135127.3 Ų127.383%0.82873%0.734SS**  trans-147.8113.2136.7350000108.4P14T12-P14 WeakPolarHBondContact O-CD 3.42Å
13E30.1Very low45.2Very low192 Ų192123.8 Ų123.890%0.89771%0.707SS**  trans-55.4122.6161-75177.612900108.9T15E13-T15 PolarHBondContact O-N 2.8Å
14P37.6Very low47.7Very low117 Ų117118.8 Ų118.876%0.7667%0.672SS**  trans-80.7109.915028.2-16.4000105.2T12 K16T12-P14 WeakPolarHBondContact O-CD 3.42Å; P14-K16 PolarHBondContact O-N 3.31Å
15T36.5Very low50.1Low122 Ų122114.4 Ų114.475%0.74864%0.642SS**  trans-20.4123157.1-4.30000110.2E13 R17E13-T15 PolarHBondContact O-N 2.8Å; T15-R17 PolarHBondContact O-N 3.38Å
16K43.1Very low52.7Low210 Ų210112.1 Ų112.191%0.91362%0.621SS**  trans-5579.8165.6-85.6178.2175.3173.10108.4P14 M18P14-K16 PolarHBondContact O-N 3.31Å; K16-M18 VanDerWaalsContact C-N 3.34Å; K16-M18 PolarHBondContact O-N 2.88Å; K16-M18 VanDerWaalsContact O-N 3.09Å
17R45.1Very low55.6Low223 Ų223111.8 Ų111.884%0.84260%0.604SS**  trans-65.4106.2155.4-85.3-175.9173.1-178.3-1.5103T15 L19T15-R17 PolarHBondContact O-N 3.38Å; R17-L19 VanDerWaalsContact C-N 3.26Å; R17-L19 PolarHBondContact O-N 2.67Å
18M53.1Low58.5Low166 Ų166104.7 Ų104.782%0.81857%0.566SS**  trans-49.3106.5158.8-77.3178.974.100105.2K16 S20K16-M18 VanDerWaalsContact C-N 3.34Å; K16-M18 PolarHBondContact O-N 2.88Å; K16-M18 VanDerWaalsContact O-N 3.09Å; M18-S20 PolarHBondContact O-N 2.85Å
19L58.6Low61.4Low96 Ų96103 Ų10350%0.50355%0.549SS..  trans-52.2132.8171.5-79.9161.4000105.6R17 L24 L27R17-L19 VanDerWaalsContact C-N 3.26Å; R17-L19 PolarHBondContact O-N 2.67Å; L19-L24 HydrophobicContact CB-CB 4.11Å; L19-L24 HydrophobicContact CD1-CD1 4.22Å; L19-L27 HydrophobicContact CD1-CD2 4.21Å
20S76.1Confident64.3Low78 Ų78107 Ų10755%0.54555%0.547SS..  trans-53.6151.4169.357.80000108.2M18 Q22 G23 L24M18-S20 PolarHBondContact O-N 2.85Å; S20-Q22 PolarHBondContact O-N 2.75Å; S20-G23 PolarHBondContact O-N 3.06Å; S20-G23 PolarHBondContact OG-N 3.04Å; S20-L24 PolarHBondContact O-N 3.09Å
21F85.5Confident67.2Low52 Ų52101.6 Ų101.623%0.22852%0.516CS..Hα-helixtrans-44.6-43178.1-176.9-86.4000111.7L24 A25 L47 E51 N54 V57F21-L24 PolarHBondContact O-N 3.24Å; F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.26Å; F21-L47 HydrophobicContact CD1-CD2 4.31Å; F21-L47 HydrophobicContact CD2-CD2 3.5Å; F21-L47 HydrophobicContact CE1-CD2 4.34Å; F21-L47 HydrophobicContact CE2-CB 4.13Å; F21-L47 HydrophobicContact CE2-CD2 3.54Å; F21-L47 HydrophobicContact CE2-CG 4.47Å; F21-L47 HydrophobicContact CG-CD2 3.91Å; F21-L47 HydrophobicContact CZ-CB 4.47Å; F21-L47 HydrophobicContact CZ-CD2 3.97Å; F21-L47 WeakPolarHBondContact O-CD2 3.38Å; F21-E51 HydrophobicContact CD2-CG 4.3Å; F21-E51 HydrophobicContact CE2-CB 3.9Å; F21-E51 HydrophobicContact CE2-CG 3.78Å; F21-E51 HydrophobicContact CZ-CB 4.21Å; F21-E51 HydrophobicContact CZ-CG 4.28Å; F21-E51 VanDerWaalsContact CZ-OE2 3.32Å; F21-E51 WeakPolarHBondContact CZ-OE2 3.49Å; F21-N54 WeakPolarHBondContact CE1-ND2 3.45Å; F21-N54 HydrophobicContact CZ-CB 4.3Å; F21-N54 VanDerWaalsContact CZ-ND2 3.28Å; F21-N54 WeakPolarHBondContact CZ-ND2 3.17Å; F21-V57 HydrophobicContact CZ-CG2 3.97Å
22Q82.4Confident70.2Confident139 Ų13999.8 Ų99.865%0.6550%0.495SS*.Hα-helixtrans-63.6-43.2177.4-159.5166.2500113.7S20 L24 A25 E26S20-Q22 PolarHBondContact O-N 2.75Å; Q22-L24 PolarHBondContact O-N 3.45Å; Q22-A25 PolarHBondContact O-N 2.86Å; Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.37Å
23G85.8Confident73Confident19 Ų19100.7 Ų100.720%0.19649%0.49CS..Hα-helixtrans-67.6-35177.100000113.2S20 L27S20-G23 PolarHBondContact O-N 3.06Å; S20-G23 PolarHBondContact OG-N 3.04Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-L27 VanDerWaalsContact O-N 3.15Å
24L87.1Confident75.8Confident9 Ų995.6 Ų95.65%0.04748%0.481CS..Hα-helixtrans-73.3-34.8175.4-172.267.9000111.6L19 S20 F21 Q22 L27 A28 H43 Q46 L47L19-L24 HydrophobicContact CB-CB 4.11Å; L19-L24 HydrophobicContact CD1-CD1 4.22Å; S20-L24 PolarHBondContact O-N 3.09Å; F21-L24 PolarHBondContact O-N 3.24Å; Q22-L24 PolarHBondContact O-N 3.45Å; L24-L27 HydrophobicContact CD1-CD2 4.5Å; L24-L27 PolarHBondContact O-N 3.45Å; L24-A28 PolarHBondContact O-N 3.1Å; L24-H43 HydrophobicContact CD1-CB 3.97Å; L24-H43 HydrophobicContact CG-CB 4.39Å; L24-Q46 HydrophobicContact CD2-CB 4.23Å; L24-Q46 HydrophobicContact CD2-CG 3.92Å; L24-L47 HydrophobicContact CB-CD2 3.92Å; L24-L47 HydrophobicContact CB-CG 4.37Å; L24-L47 HydrophobicContact CD2-CD2 3.84Å; L24-L47 HydrophobicContact CD2-CG 3.82Å; L24-L47 HydrophobicContact CG-CD1 4.26Å; L24-L47 HydrophobicContact CG-CD2 4.01Å; L24-L47 HydrophobicContact CG-CG 3.96Å
25A87.5Confident78.1Confident22 Ų2292 Ų9218%0.18246%0.464CS..Hα-helixtrans-66.7-39.9174.500000113.1F21 Q22 H29 L47F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.26Å; Q22-A25 PolarHBondContact O-N 2.86Å; A25-H29 PolarHBondContact O-N 2.74Å; A25-H29 VanDerWaalsContact O-N 3.09Å; A25-H29 PolarHBondContact O-ND1 2.75Å; A25-L47 VanDerWaalsContact CA-CD1 3.48Å; A25-L47 HydrophobicContact CB-CD1 3.92Å; A25-L47 HydrophobicContact CB-CD2 4.45Å
26E89.1Confident80.7Confident105 Ų10590.1 Ų90.149%0.49145%0.45SS..Hα-helixtrans-65.5-40.5173.5-75.9177.7-167.800112Q22 H29 R30Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.37Å; E26-H29 PolarHBondContact O-N 2.97Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.64Å
27L91Very high83Confident59 Ų5982.8 Ų82.831%0.30942%0.418SS..Hα-helixtrans-61.2-48.6175.6179.961.1000111L19 G23 L24 H29 R30 E31L19-L27 HydrophobicContact CD1-CD2 4.21Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-L27 VanDerWaalsContact O-N 3.15Å; L24-L27 HydrophobicContact CD1-CD2 4.5Å; L24-L27 PolarHBondContact O-N 3.45Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.09Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-R30 VanDerWaalsContact O-N 3.12Å; L27-E31 HydrophobicContact CD1-CG 4.26Å; L27-E31 HydrophobicContact CG-CG 4.47Å; L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.01Å
28A90.3Very high85.1Confident0 Ų078.8 Ų78.80%041%0.409CS..Hα-helixtrans-61.2-38179.100000112.6L24 Y32 H43 L47 L60L24-A28 PolarHBondContact O-N 3.1Å; A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 3.28Å; A28-H43 HydrophobicContact CB-CB 4.04Å; A28-L47 HydrophobicContact CB-CD1 4.4Å; A28-L60 HydrophobicContact CB-CD2 4.19Å
29H89.5Confident86.8Confident90 Ų9071.3 Ų71.342%0.41737%0.374SS..Hα-helixtrans-64.8-42.5173.5-85.979.7000112.5A25 E26 L27 Y32 Q33 L60A25-H29 PolarHBondContact O-N 2.74Å; A25-H29 VanDerWaalsContact O-N 3.09Å; A25-H29 PolarHBondContact O-ND1 2.75Å; E26-H29 PolarHBondContact O-N 2.97Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.09Å; H29-Y32 PolarHBondContact O-N 3.45Å; H29-Q33 WeakPolarHBondContact O-CB 3.25Å; H29-Q33 WeakPolarHBondContact O-CG 3.27Å; H29-Q33 PolarHBondContact O-N 3.46Å; H29-L60 WeakPolarHBondContact ND1-CD2 3.15Å
30R90.5Very high88.4Confident169 Ų16966.8 Ų66.864%0.63835%0.35SS*.Hα-helixtrans-64.8-41.9177.6-75.8-177.2-174170.16.3112E26 L27 Q33 A34E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.64Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-R30 VanDerWaalsContact O-N 3.12Å; R30-Q33 PolarHBondContact O-N 3.29Å; R30-A34 WeakPolarHBondContact O-CB 3.39Å; R30-A34 PolarHBondContact O-N 3.27Å
31E92.1Very high89.2Confident32 Ų3264.3 Ų64.315%0.1533%0.33CS..Hα-helixtrans-62.9-42.8176.5-71.3170.1165.200111.2L27 Q33 A34 G35 D36 A39 A40 H43L27-E31 HydrophobicContact CD1-CG 4.26Å; L27-E31 HydrophobicContact CG-CG 4.47Å; L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.01Å; E31-Q33 PolarHBondContact O-N 3.05Å; E31-A34 PolarHBondContact O-N 3.45Å; E31-G35 PolarHBondContact O-N 3.23Å; E31-G35 VanDerWaalsContact O-N 3.16Å; E31-D36 PolarHBondContact O-N 3.04Å; E31-A39 HydrophobicContact CG-CB 4.29Å; E31-A40 HydrophobicContact CB-CB 3.82Å; E31-A40 WeakPolarHBondContact OE2-CA 3.38Å; E31-A40 PolarHBondContact OE2-N 3.5Å; E31-H43 VanDerWaalsContact CD-ND1 3.28Å; E31-H43 IonicContact OE1-CE1 2.71Å; E31-H43 PolarHBondContact OE1-CE1 3.3Å; E31-H43 IonicContact OE1-ND1 2.82Å; E31-H43 PolarHBondContact OE1-ND1 2.79Å; E31-H43 IonicContact OE2-CE1 3.08Å; E31-H43 IonicContact OE2-CG 2.79Å; E31-H43 IonicContact OE2-ND1 3.03Å; E31-H43 PolarHBondContact OE2-ND1 2.79Å
32Y92.1Very high89.5Confident60 Ų6068.8 Ų68.824%0.23535%0.345CS..Hα-helixtrans-60.1-46.1173173.8-100.5000112.2A28 H29 A34 G35 F37 L60 I64 Q67A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 3.28Å; H29-Y32 PolarHBondContact O-N 3.45Å; Y32-A34 VanDerWaalsContact C-N 3.28Å; Y32-A34 PolarHBondContact O-N 3.42Å; Y32-G35 PolarHBondContact O-N 2.8Å; Y32-G35 VanDerWaalsContact O-N 3.1Å; Y32-F37 AromaticContact CD2-CD1 3.81Å; Y32-F37 HydrophobicContact CD2-CD1 3.81Å; Y32-F37 AromaticContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CE2-CD1 4.16Å; Y32-F37 AromaticContact CE2-CE1 3.8Å; Y32-F37 HydrophobicContact CE2-CE1 3.8Å; Y32-L60 HydrophobicContact CD1-CD1 3.97Å; Y32-L60 HydrophobicContact CD2-CD1 4.1Å; Y32-L60 HydrophobicContact CG-CD1 3.72Å; Y32-I64 HydrophobicContact CD2-CG1 3.57Å; Y32-I64 HydrophobicContact CE2-CG1 4.2Å; Y32-I64 HydrophobicContact CG-CG1 4.39Å; Y32-Q67 HydrophobicContact CE2-CG 3.89Å
33Q89.5Confident89.9Confident154 Ų15464 Ų6472%0.7232%0.323SS*.Hα-helixtrans-64.9-30.7177.6-74.2177.5-16.200112.9H29 R30 E31 G35H29-Q33 WeakPolarHBondContact O-CB 3.25Å; H29-Q33 WeakPolarHBondContact O-CG 3.27Å; H29-Q33 PolarHBondContact O-N 3.46Å; R30-Q33 PolarHBondContact O-N 3.29Å; E31-Q33 PolarHBondContact O-N 3.05Å; Q33-G35 VanDerWaalsContact C-N 3.27Å
34A89.5Confident90.2Very high86 Ų8663.1 Ų63.171%0.71131%0.313SS*.THydrogen-bonded Turntrans-79-7.3175.200000113.5R30 E31 Y32R30-A34 WeakPolarHBondContact O-CB 3.39Å; R30-A34 PolarHBondContact O-N 3.27Å; E31-A34 PolarHBondContact O-N 3.45Å; Y32-A34 VanDerWaalsContact C-N 3.28Å; Y32-A34 PolarHBondContact O-N 3.42Å
35G85.7Confident90.4Very high40 Ų4064.7 Ų64.741%0.41232%0.321SS..THydrogen-bonded Turntrans82.56.9-177.500000114.9E31 Y32 Q33 F37E31-G35 PolarHBondContact O-N 3.23Å; E31-G35 VanDerWaalsContact O-N 3.16Å; Y32-G35 PolarHBondContact O-N 2.8Å; Y32-G35 VanDerWaalsContact O-N 3.1Å; Q33-G35 VanDerWaalsContact C-N 3.27Å; G35-F37 VanDerWaalsContact C-N 3.3Å; G35-F37 WeakPolarHBondContact O-CD2 3.25Å; G35-F37 PolarHBondContact O-N 3.29Å; G35-F37 VanDerWaalsContact O-N 3.09Å
36D91.2Very high90.6Very high84 Ų8468 Ų6845%0.44933%0.333SS..  trans-8574.5173.8-169.4-13.8000110.3E31 E38 A39 A40E31-D36 PolarHBondContact O-N 3.04Å; D36-E38 PolarHBondContact O-N 2.94Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact OD1-CB 3.35Å; D36-A39 PolarHBondContact OD1-N 3.26Å; D36-A39 VanDerWaalsContact OD1-N 3.14Å; D36-A39 WeakPolarHBondContact OD2-CB 3.42Å; D36-A40 WeakPolarHBondContact O-CB 3.47Å; D36-A40 PolarHBondContact O-N 3.42Å; D36-A40 VanDerWaalsContact O-N 3.08Å
37F90.8Very high90.6Very high56 Ų5663.1 Ų63.125%0.24631%0.31CS..Hα-helixtrans-66.9-24.3-174.8-56.8-55000113.7Y32 G35 E41 I64 Q67 C68Y32-F37 AromaticContact CD2-CD1 3.81Å; Y32-F37 HydrophobicContact CD2-CD1 3.81Å; Y32-F37 AromaticContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CE2-CD1 4.16Å; Y32-F37 AromaticContact CE2-CE1 3.8Å; Y32-F37 HydrophobicContact CE2-CE1 3.8Å; G35-F37 VanDerWaalsContact C-N 3.3Å; G35-F37 WeakPolarHBondContact O-CD2 3.25Å; G35-F37 PolarHBondContact O-N 3.29Å; G35-F37 VanDerWaalsContact O-N 3.09Å; F37-E41 VanDerWaalsContact O-CB 3.29Å; F37-E41 WeakPolarHBondContact O-CB 3.43Å; F37-E41 PolarHBondContact O-N 3.49Å; F37-I64 HydrophobicContact CB-CG2 4.22Å; F37-I64 WeakPolarHBondContact O-CG2 3.42Å; F37-Q67 HydrophobicContact CD1-CB 4.05Å; F37-Q67 HydrophobicContact CD1-CG 4.48Å; F37-Q67 HydrophobicContact CD2-CB 4.23Å; F37-Q67 HydrophobicContact CE1-CB 3.7Å; F37-Q67 HydrophobicContact CE1-CG 3.79Å; F37-Q67 HydrophobicContact CE2-CB 3.88Å; F37-Q67 HydrophobicContact CG-CB 4.31Å; F37-Q67 HydrophobicContact CZ-CB 3.6Å; F37-Q67 HydrophobicContact CZ-CG 3.85Å; F37-C68 WeakPolarHBondContact CB-SG 3.44Å
38E89.7Confident90.6Very high139 Ų13963.2 Ų63.265%0.6531%0.306SS*.Hα-helixtrans-78-43.5-178.5-166.7-179.9169.900111.3D36 R42D36-E38 PolarHBondContact O-N 2.94Å; E38-R42 PolarHBondContact O-N 3.4Å; E38-R42 VanDerWaalsContact O-N 3.13Å
39A88.7Confident90.5Very high9 Ų973 Ų737%0.07434%0.343CS..Hα-helixtrans-63.7-45.4171.800000111E31 D36 E41 R42 H43E31-A39 HydrophobicContact CG-CB 4.29Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact OD1-CB 3.35Å; D36-A39 PolarHBondContact OD1-N 3.26Å; D36-A39 VanDerWaalsContact OD1-N 3.14Å; D36-A39 WeakPolarHBondContact OD2-CB 3.42Å; A39-E41 PolarHBondContact O-N 3Å; A39-R42 WeakPolarHBondContact O-CB 3.34Å; A39-R42 PolarHBondContact O-N 3.22Å; A39-R42 VanDerWaalsContact O-N 3.09Å; A39-H43 PolarHBondContact O-N 3.14Å; A39-H43 PolarHBondContact O-ND1 3.24Å
40A91.9Very high90.4Very high0 Ų073 Ų730%034%0.343CS..Hα-helixtrans-59.3-44.6177.800000111.9E31 D36 R42 H43 C44 I64E31-A40 HydrophobicContact CB-CB 3.82Å; E31-A40 WeakPolarHBondContact OE2-CA 3.38Å; E31-A40 PolarHBondContact OE2-N 3.5Å; D36-A40 WeakPolarHBondContact O-CB 3.47Å; D36-A40 PolarHBondContact O-N 3.42Å; D36-A40 VanDerWaalsContact O-N 3.08Å; A40-R42 VanDerWaalsContact C-N 3.33Å; A40-R42 PolarHBondContact O-N 3Å; A40-H43 PolarHBondContact O-N 3.25Å; A40-C44 VanDerWaalsContact O-CB 3.23Å; A40-C44 WeakPolarHBondContact O-CB 3.34Å; A40-C44 PolarHBondContact O-N 2.74Å; A40-I64 HydrophobicContact CB-CD1 3.74Å; A40-I64 HydrophobicContact CB-CG1 4.23Å
41E92.8Very high90.3Very high26 Ų2669.1 Ų69.112%0.12133%0.333CS..Hα-helixtrans-58.9-45.3175.1-176.9-176.9-179.100110.9F37 A39 H43 C44 M45 I64 H65 R70 R73F37-E41 VanDerWaalsContact O-CB 3.29Å; F37-E41 WeakPolarHBondContact O-CB 3.43Å; F37-E41 PolarHBondContact O-N 3.49Å; A39-E41 PolarHBondContact O-N 3Å; E41-H43 PolarHBondContact O-N 3.12Å; E41-C44 PolarHBondContact O-N 3.33Å; E41-M45 HydrophobicContact CG-CG 4.09Å; E41-M45 VanDerWaalsContact O-CB 3.29Å; E41-M45 WeakPolarHBondContact O-CB 3.27Å; E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 3.42Å; E41-I64 HydrophobicContact CB-CG2 3.94Å; E41-H65 IonicContact OE1-CE1 3.42Å; E41-H65 PolarHBondContact OE1-CE1 3.49Å; E41-H65 IonicContact OE1-NE2 3.87Å; E41-R70 IonicContact OE1-CZ 3.54Å; E41-R70 IonicContact OE1-NH1 2.85Å; E41-R70 PolarHBondContact OE1-NH1 3.14Å; E41-R70 IonicContact OE1-NH2 3.35Å; E41-R70 IonicContact OE2-CZ 2.95Å; E41-R70 IonicContact OE2-NH1 3.45Å; E41-R70 PolarHBondContact OE2-NH1 3.38Å; E41-R70 IonicContact OE2-NH2 3.06Å; E41-R70 PolarHBondContact OE2-NH2 3.3Å; E41-R73 IonicContact OE1-NH1 3.61Å; E41-R73 PolarHBondContact OE1-NH1 3.1Å
42R92.2Very high90.1Very high147 Ų14770.9 Ų70.956%0.55535%0.347SS*.Hα-helixtrans-62.2-46.2-176.4-153.4-172.9-55.5126.91.6111.3E38 A39 A40 Q46E38-R42 PolarHBondContact O-N 3.4Å; E38-R42 VanDerWaalsContact O-N 3.13Å; A39-R42 WeakPolarHBondContact O-CB 3.34Å; A39-R42 PolarHBondContact O-N 3.22Å; A39-R42 VanDerWaalsContact O-N 3.09Å; A40-R42 VanDerWaalsContact C-N 3.33Å; A40-R42 PolarHBondContact O-N 3Å; R42-Q46 PolarHBondContact O-N 3.35Å; R42-Q46 VanDerWaalsContact O-N 3.12Å
43H91.3Very high89.9Confident38 Ų3873.1 Ų73.118%0.17636%0.363CS..Hα-helixtrans-71.1-39.5178-64.7140.3000112.3L24 A28 E31 A39 A40 E41 M45 Q46 L47L24-H43 HydrophobicContact CD1-CB 3.97Å; L24-H43 HydrophobicContact CG-CB 4.39Å; A28-H43 HydrophobicContact CB-CB 4.04Å; E31-H43 VanDerWaalsContact CD-ND1 3.28Å; E31-H43 IonicContact OE1-CE1 2.71Å; E31-H43 PolarHBondContact OE1-CE1 3.3Å; E31-H43 IonicContact OE1-ND1 2.82Å; E31-H43 PolarHBondContact OE1-ND1 2.79Å; E31-H43 IonicContact OE2-CE1 3.08Å; E31-H43 IonicContact OE2-CG 2.79Å; E31-H43 IonicContact OE2-ND1 3.03Å; E31-H43 PolarHBondContact OE2-ND1 2.79Å; A39-H43 PolarHBondContact O-N 3.14Å; A39-H43 PolarHBondContact O-ND1 3.24Å; A40-H43 PolarHBondContact O-N 3.25Å; E41-H43 PolarHBondContact O-N 3.12Å; H43-M45 PolarHBondContact O-N 3.27Å; H43-Q46 WeakPolarHBondContact O-CB 3.38Å; H43-Q46 PolarHBondContact O-N 2.91Å; H43-L47 WeakPolarHBondContact O-CG 3.29Å; H43-L47 PolarHBondContact O-N 3.46Å
44C91.5Very high90Very high0 Ų067.9 Ų67.90%034%0.34CS..Hα-helixtrans-63.4-40173.2-85.40000113.1A40 E41 Q46 L47 W48 V57 L60 L61 I64A40-C44 VanDerWaalsContact O-CB 3.23Å; A40-C44 WeakPolarHBondContact O-CB 3.34Å; A40-C44 PolarHBondContact O-N 2.74Å; E41-C44 PolarHBondContact O-N 3.33Å; C44-Q46 VanDerWaalsContact C-N 3.27Å; C44-Q46 PolarHBondContact O-N 3.45Å; C44-L47 WeakPolarHBondContact O-CB 3.2Å; C44-L47 PolarHBondContact O-N 3.27Å; C44-W48 WeakPolarHBondContact O-CB 3.29Å; C44-W48 PolarHBondContact O-N 2.74Å; C44-V57 HydrophobicContact CB-CG1 4.49Å; C44-V57 WeakPolarHBondContact O-CG1 3.34Å; C44-L60 WeakPolarHBondContact SG-CD2 3.48Å; C44-L60 VanDerWaalsContact SG-CG 3.57Å; C44-L61 HydrophobicContact CB-CD2 3.52Å; C44-L61 HydrophobicContact CB-CG 3.83Å; C44-I64 HydrophobicContact CB-CD1 4.28Å
45M91.7Very high90Very high42 Ų4265.8 Ų65.821%0.20732%0.318CS..Hα-helixtrans-66.2-32.3175.2-73.7-67.2-102.900111.4E41 H43 W48 R49 L61 F77E41-M45 HydrophobicContact CG-CG 4.09Å; E41-M45 VanDerWaalsContact O-CB 3.29Å; E41-M45 WeakPolarHBondContact O-CB 3.27Å; E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 3.42Å; H43-M45 PolarHBondContact O-N 3.27Å; M45-W48 HydrophobicContact CE-CE3 4.34Å; M45-W48 HydrophobicContact CE-CZ3 4.21Å; M45-W48 HydrophobicContact SD-CE3 3.66Å; M45-W48 HydrophobicContact SD-CZ3 4.09Å; M45-R49 VanDerWaalsContact O-CG 3.3Å; M45-R49 WeakPolarHBondContact O-CG 3.38Å; M45-R49 PolarHBondContact O-N 2.73Å; M45-R49 VanDerWaalsContact O-N 3.09Å; M45-L61 HydrophobicContact CG-CD2 3.94Å; M45-L61 HydrophobicContact SD-CD1 4.12Å; M45-L61 HydrophobicContact SD-CD2 3.9Å; M45-F77 HydrophobicContact CE-CZ 4.38Å; M45-F77 HydrophobicContact SD-CZ 4.01Å
46Q90.8Very high90.2Very high93 Ų9365.4 Ų65.444%0.43532%0.315SS..Hα-helixtrans-67.1-43.3172-177.2176-8.800111.7L24 R42 H43 C44 R49 Q50L24-Q46 HydrophobicContact CD2-CB 4.23Å; L24-Q46 HydrophobicContact CD2-CG 3.92Å; R42-Q46 PolarHBondContact O-N 3.35Å; R42-Q46 VanDerWaalsContact O-N 3.12Å; H43-Q46 WeakPolarHBondContact O-CB 3.38Å; H43-Q46 PolarHBondContact O-N 2.91Å; C44-Q46 VanDerWaalsContact C-N 3.27Å; C44-Q46 PolarHBondContact O-N 3.45Å; Q46-R49 PolarHBondContact O-N 2.81Å; Q46-Q50 WeakPolarHBondContact O-CG 3.47Å; Q46-Q50 PolarHBondContact O-N 3.4Å
47L89.9Confident90.3Very high1 Ų161.7 Ų61.71%0.00530%0.295CS..Hα-helixtrans-62.2-43.9174.1-71.1163.9000111.7F21 L24 A25 A28 H43 C44 R49 Q50 E51 V57F21-L47 HydrophobicContact CD1-CD2 4.31Å; F21-L47 HydrophobicContact CD2-CD2 3.5Å; F21-L47 HydrophobicContact CE1-CD2 4.34Å; F21-L47 HydrophobicContact CE2-CB 4.13Å; F21-L47 HydrophobicContact CE2-CD2 3.54Å; F21-L47 HydrophobicContact CE2-CG 4.47Å; F21-L47 HydrophobicContact CG-CD2 3.91Å; F21-L47 HydrophobicContact CZ-CB 4.47Å; F21-L47 HydrophobicContact CZ-CD2 3.97Å; F21-L47 WeakPolarHBondContact O-CD2 3.38Å; L24-L47 HydrophobicContact CB-CD2 3.92Å; L24-L47 HydrophobicContact CB-CG 4.37Å; L24-L47 HydrophobicContact CD2-CD2 3.84Å; L24-L47 HydrophobicContact CD2-CG 3.82Å; L24-L47 HydrophobicContact CG-CD1 4.26Å; L24-L47 HydrophobicContact CG-CD2 4.01Å; L24-L47 HydrophobicContact CG-CG 3.96Å; A25-L47 VanDerWaalsContact CA-CD1 3.48Å; A25-L47 HydrophobicContact CB-CD1 3.92Å; A25-L47 HydrophobicContact CB-CD2 4.45Å; A28-L47 HydrophobicContact CB-CD1 4.4Å; H43-L47 WeakPolarHBondContact O-CG 3.29Å; H43-L47 PolarHBondContact O-N 3.46Å; C44-L47 WeakPolarHBondContact O-CB 3.2Å; C44-L47 PolarHBondContact O-N 3.27Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.34Å; L47-Q50 WeakPolarHBondContact O-CB 3.48Å; L47-Q50 PolarHBondContact O-N 3.26Å; L47-E51 PolarHBondContact O-N 3.33Å; L47-V57 HydrophobicContact CB-CG1 3.98Å; L47-V57 HydrophobicContact CB-CG2 3.88Å; L47-V57 HydrophobicContact CD1-CG2 4.42Å
48W90.1Very high90.5Very high62 Ų6259.2 Ų59.224%0.23528%0.284CS..Hα-helixtrans-64.8-34.3-179.8-17851.3000112.5C44 M45 Q50 E51 P52 V57 L61 F77 L80C44-W48 WeakPolarHBondContact O-CB 3.29Å; C44-W48 PolarHBondContact O-N 2.74Å; M45-W48 HydrophobicContact CE-CE3 4.34Å; M45-W48 HydrophobicContact CE-CZ3 4.21Å; M45-W48 HydrophobicContact SD-CE3 3.66Å; M45-W48 HydrophobicContact SD-CZ3 4.09Å; W48-Q50 VanDerWaalsContact C-N 3.25Å; W48-Q50 PolarHBondContact O-N 3.32Å; W48-E51 CarbonylContact O-C 3.11Å; W48-E51 VanDerWaalsContact O-C 3.27Å; W48-P52 PolarHBondContact NE1-O 2.85Å; W48-P52 VanDerWaalsContact NE1-O 3.11Å; W48-P52 WeakPolarHBondContact O-CA 3.25Å; W48-P52 WeakPolarHBondContact O-CD 3.05Å; W48-P52 WeakPolarHBondContact O-CG 3.29Å; W48-V57 HydrophobicContact CB-CG1 3.83Å; W48-L61 HydrophobicContact CB-CD1 3.87Å; W48-L61 HydrophobicContact CD2-CD1 4.29Å; W48-L61 HydrophobicContact CG-CD1 3.99Å; W48-F77 HydrophobicContact CD2-CE1 4.03Å; W48-F77 AromaticContact CE2-CE1 3.98Å; W48-F77 AromaticContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CZ 4.3Å; W48-F77 AromaticContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CZ 4.29Å; W48-F77 AromaticContact CZ2-CE1 3.89Å; W48-F77 HydrophobicContact CZ2-CE1 3.89Å; W48-F77 AromaticContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CZ 4.04Å; W48-L80 HydrophobicContact CZ2-CD1 4.05Å
49R89Confident90.7Very high204 Ų20454 Ų5477%0.7726%0.26SS*.Hα-helixtrans-66.7-27172.7-74.1173.4-172.7178.43.4113.1M45 Q46 L47M45-R49 VanDerWaalsContact O-CG 3.3Å; M45-R49 WeakPolarHBondContact O-CG 3.38Å; M45-R49 PolarHBondContact O-N 2.73Å; M45-R49 VanDerWaalsContact O-N 3.09Å; Q46-R49 PolarHBondContact O-N 2.81Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.34Å
50Q86.9Confident90.9Very high91 Ų9154 Ų5443%0.42526%0.259SS..Hα-helixtrans-83-43.5178-67.6176.97.500111.2Q46 L47 W48Q46-Q50 WeakPolarHBondContact O-CG 3.47Å; Q46-Q50 PolarHBondContact O-N 3.4Å; L47-Q50 WeakPolarHBondContact O-CB 3.48Å; L47-Q50 PolarHBondContact O-N 3.26Å; W48-Q50 VanDerWaalsContact C-N 3.25Å; W48-Q50 PolarHBondContact O-N 3.32Å
51E88.1Confident91Very high88 Ų8854 Ų5441%0.41126%0.259SS..  trans-131.387.2176.9-65.6-175.6-178.700110.3F21 L47 W48 D53 N54F21-E51 HydrophobicContact CD2-CG 4.3Å; F21-E51 HydrophobicContact CE2-CB 3.9Å; F21-E51 HydrophobicContact CE2-CG 3.78Å; F21-E51 HydrophobicContact CZ-CB 4.21Å; F21-E51 HydrophobicContact CZ-CG 4.28Å; F21-E51 VanDerWaalsContact CZ-OE2 3.32Å; F21-E51 WeakPolarHBondContact CZ-OE2 3.49Å; L47-E51 PolarHBondContact O-N 3.33Å; W48-E51 CarbonylContact O-C 3.11Å; W48-E51 VanDerWaalsContact O-C 3.27Å; E51-D53 PolarHBondContact O-N 3.16Å; E51-D53 VanDerWaalsContact O-N 3.15Å; E51-N54 HydrophobicContact CB-CB 3.89Å; E51-N54 WeakPolarHBondContact O-CB 2.93Å; E51-N54 PolarHBondContact O-N 2.83Å; E51-N54 PolarHBondContact OE2-ND2 3.39Å
52P88.9Confident91.1Very high69 Ų6952.8 Ų52.845%0.44825%0.253SS..THydrogen-bonded Turntrans-60.9-25.5-177.6-25.635.1000114.1W48W48-P52 PolarHBondContact NE1-O 2.85Å; W48-P52 VanDerWaalsContact NE1-O 3.11Å; W48-P52 WeakPolarHBondContact O-CA 3.25Å; W48-P52 WeakPolarHBondContact O-CD 3.05Å; W48-P52 WeakPolarHBondContact O-CG 3.29Å
53D88.1Confident91.2Very high107 Ų10747 Ų4757%0.57224%0.235SC*.THydrogen-bonded Turntrans-95.14.4-175-64.2-20.4000112.8E51 T55 Q84E51-D53 PolarHBondContact O-N 3.16Å; E51-D53 VanDerWaalsContact O-N 3.15Å; D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.13Å; D53-Q84 HydrophobicContact CB-CG 4.23Å; D53-Q84 WeakPolarHBondContact O-CG 3.36Å
54N91.2Very high91.3Very high44 Ų4445.1 Ų45.124%0.23523%0.227CC..  trans-75.1104.8179.5-167.4-55.5000110.8F21 E51 G56 V57 L58F21-N54 WeakPolarHBondContact CE1-ND2 3.45Å; F21-N54 HydrophobicContact CZ-CB 4.3Å; F21-N54 VanDerWaalsContact CZ-ND2 3.28Å; F21-N54 WeakPolarHBondContact CZ-ND2 3.17Å; E51-N54 HydrophobicContact CB-CB 3.89Å; E51-N54 WeakPolarHBondContact O-CB 2.93Å; E51-N54 PolarHBondContact O-N 2.83Å; E51-N54 PolarHBondContact OE2-ND2 3.39Å; N54-G56 VanDerWaalsContact C-N 3.28Å; N54-G56 PolarHBondContact O-N 3.16Å; N54-G56 PolarHBondContact OD1-N 3.4Å; N54-G56 VanDerWaalsContact OD1-N 3.14Å; N54-V57 HydrophobicContact CB-CB 4.23Å; N54-V57 HydrophobicContact CB-CG2 3.98Å; N54-V57 PolarHBondContact O-N 2.64Å; N54-V57 VanDerWaalsContact O-N 3.15Å; N54-V57 PolarHBondContact OD1-N 3.42Å; N54-L58 WeakPolarHBondContact O-CG 3.22Å; N54-L58 PolarHBondContact O-N 3.03Å; N54-L58 VanDerWaalsContact O-N 3.07Å
55T90.5Very high91.4Very high41 Ų4145.1 Ų45.125%0.25223%0.227SC..Hα-helixtrans-61.3-33-176.652.20000113.4D53 L58 L59 Q84 N85 L88D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.13Å; T55-L58 PolarHBondContact O-N 2.78Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.39Å; T55-Q84 HydrophobicContact CG2-CB 4.07Å; T55-Q84 HydrophobicContact CG2-CG 3.91Å; T55-N85 HydrophobicContact CG2-CB 3.9Å; T55-L88 HydrophobicContact CG2-CD2 4.31Å
56G89.9Confident91.5Very high33 Ų3345.2 Ų45.234%0.3423%0.226SC..Hα-helixtrans-64.7-40.8176.300000112.3N54 L60N54-G56 VanDerWaalsContact C-N 3.28Å; N54-G56 PolarHBondContact O-N 3.16Å; N54-G56 PolarHBondContact OD1-N 3.4Å; N54-G56 VanDerWaalsContact OD1-N 3.14Å; G56-L60 PolarHBondContact O-N 2.71Å; G56-L60 VanDerWaalsContact O-N 3.12Å
57V92.3Very high91.6Very high6 Ų645.4 Ų45.44%0.03623%0.227CC..Hα-helixtrans-67.9-41.9175.4179.90000111.1F21 C44 L47 W48 N54 L60 L61F21-V57 HydrophobicContact CZ-CG2 3.97Å; C44-V57 HydrophobicContact CB-CG1 4.49Å; C44-V57 WeakPolarHBondContact O-CG1 3.34Å; L47-V57 HydrophobicContact CB-CG1 3.98Å; L47-V57 HydrophobicContact CB-CG2 3.88Å; L47-V57 HydrophobicContact CD1-CG2 4.42Å; W48-V57 HydrophobicContact CB-CG1 3.83Å; N54-V57 HydrophobicContact CB-CB 4.23Å; N54-V57 HydrophobicContact CB-CG2 3.98Å; N54-V57 PolarHBondContact O-N 2.64Å; N54-V57 VanDerWaalsContact O-N 3.15Å; N54-V57 PolarHBondContact OD1-N 3.42Å; V57-L60 PolarHBondContact O-N 3.42Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CB 3.48Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 3.41Å
58L94.8Very high91.7Very high3 Ų347.4 Ų47.42%0.01624%0.241CC..Hα-helixtrans-62.8-42.7177.8-67.1171.2000112.4N54 T55 L61 S62 F77 L80 A81N54-L58 WeakPolarHBondContact O-CG 3.22Å; N54-L58 PolarHBondContact O-N 3.03Å; N54-L58 VanDerWaalsContact O-N 3.07Å; T55-L58 PolarHBondContact O-N 2.78Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 2.71Å; L58-F77 HydrophobicContact CD2-CD1 3.86Å; L58-L80 HydrophobicContact CD1-CB 4.22Å; L58-L80 HydrophobicContact CD2-CB 4.07Å; L58-L80 HydrophobicContact CD2-CD1 4.32Å; L58-A81 HydrophobicContact CB-CB 3.82Å; L58-A81 HydrophobicContact CD1-CB 4.32Å
59L93.3Very high91.7Very high29 Ų2954.1 Ų54.115%0.15227%0.266CS..Hα-helixtrans-61.4-45.8174.5-76.9178.4000111.7T55 S62 S63 A81 L88 E90 A91T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.39Å; L59-S62 WeakPolarHBondContact O-CB 3.32Å; L59-S62 PolarHBondContact O-N 3.13Å; L59-S63 PolarHBondContact O-N 3.44Å; L59-S63 PolarHBondContact O-OG 2.85Å; L59-A81 HydrophobicContact CD2-CB 4.48Å; L59-L88 HydrophobicContact CD1-CD1 4.08Å; L59-L88 HydrophobicContact CD1-CD2 3.75Å; L59-L88 HydrophobicContact CD1-CG 4.06Å; L59-L88 HydrophobicContact CD2-CD2 3.98Å; L59-L88 HydrophobicContact CD2-CG 4.46Å; L59-L88 HydrophobicContact CG-CD2 3.82Å; L59-E90 HydrophobicContact CD1-CB 3.9Å; L59-E90 HydrophobicContact CD2-CB 3.95Å; L59-A91 HydrophobicContact CD2-CB 3.71Å
60L93.2Very high91.9Very high10 Ų1048.2 Ų48.25%0.05224%0.244CC..Hα-helixtrans-65.2-42179.5-176.755.7000111.5A28 H29 Y32 C44 G56 V57 S62 S63 I64A28-L60 HydrophobicContact CB-CD2 4.19Å; H29-L60 WeakPolarHBondContact ND1-CD2 3.15Å; Y32-L60 HydrophobicContact CD1-CD1 3.97Å; Y32-L60 HydrophobicContact CD2-CD1 4.1Å; Y32-L60 HydrophobicContact CG-CD1 3.72Å; C44-L60 WeakPolarHBondContact SG-CD2 3.48Å; C44-L60 VanDerWaalsContact SG-CG 3.57Å; G56-L60 PolarHBondContact O-N 2.71Å; G56-L60 VanDerWaalsContact O-N 3.12Å; V57-L60 PolarHBondContact O-N 3.42Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-S62 PolarHBondContact O-N 3.3Å; L60-S63 PolarHBondContact O-N 3.22Å; L60-I64 HydrophobicContact CD1-CD1 4.09Å; L60-I64 HydrophobicContact CD1-CG1 4.19Å; L60-I64 HydrophobicContact CG-CD1 3.79Å; L60-I64 HydrophobicContact CG-CG1 4.39Å; L60-I64 WeakPolarHBondContact O-CB 3.31Å; L60-I64 WeakPolarHBondContact O-CD1 3.23Å; L60-I64 VanDerWaalsContact O-CG1 3.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.21Å; L60-I64 PolarHBondContact O-N 3.43Å
61L94.8Very high92.2Very high0 Ų045.8 Ų45.80%023%0.233CC..Hα-helixtrans-58.6-43172.1-78.6170.6000111.8C44 M45 W48 V57 L58 S63 I64 H65 F77C44-L61 HydrophobicContact CB-CD2 3.52Å; C44-L61 HydrophobicContact CB-CG 3.83Å; M45-L61 HydrophobicContact CG-CD2 3.94Å; M45-L61 HydrophobicContact SD-CD1 4.12Å; M45-L61 HydrophobicContact SD-CD2 3.9Å; W48-L61 HydrophobicContact CB-CD1 3.87Å; W48-L61 HydrophobicContact CD2-CD1 4.29Å; W48-L61 HydrophobicContact CG-CD1 3.99Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CB 3.48Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 3.41Å; L58-L61 PolarHBondContact O-N 3.22Å; L61-S63 PolarHBondContact O-N 2.92Å; L61-I64 PolarHBondContact O-N 2.93Å; L61-H65 WeakPolarHBondContact O-CB 3.46Å; L61-H65 PolarHBondContact O-CD2 3.37Å; L61-H65 PolarHBondContact O-N 2.83Å; L61-F77 HydrophobicContact CB-CB 4.24Å; L61-F77 HydrophobicContact CB-CD1 4.16Å; L61-F77 HydrophobicContact CB-CD2 4Å; L61-F77 HydrophobicContact CB-CE2 4.4Å; L61-F77 HydrophobicContact CB-CG 3.87Å; L61-F77 HydrophobicContact CD1-CD1 3.95Å; L61-F77 HydrophobicContact CD1-CE1 3.72Å; L61-F77 HydrophobicContact CD1-CG 4.48Å; L61-F77 HydrophobicContact CD1-CZ 4.07Å
62S94.8Very high92.5Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-58.8-47.5175.5-179.60000111.9L58 L59 L60 H65 F66 S74 S78L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 2.71Å; L59-S62 WeakPolarHBondContact O-CB 3.32Å; L59-S62 PolarHBondContact O-N 3.13Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-S62 PolarHBondContact O-N 3.3Å; S62-H65 PolarHBondContact O-N 2.77Å; S62-F66 WeakPolarHBondContact O-CB 3.38Å; S62-F66 PolarHBondContact O-N 3.28Å; S62-S74 WeakPolarHBondContact O-CB 3.42Å; S62-S74 PolarHBondContact O-OG 2.83Å; S62-S74 PolarHBondContact OG-O 3.01Å; S62-S74 PolarHBondContact OG-OG 3.49Å; S62-S78 PolarHBondContact OG-OG 3.32Å
63S93.8Very high92.7Very high25 Ų2550 Ų5018%0.17525%0.246CC..Hα-helixtrans-66.2-43.4179.5-61.10000112.2L59 L60 L61 H65 F66 Q67 N94L59-S63 PolarHBondContact O-N 3.44Å; L59-S63 PolarHBondContact O-OG 2.85Å; L60-S63 PolarHBondContact O-N 3.22Å; L61-S63 PolarHBondContact O-N 2.92Å; S63-H65 PolarHBondContact O-N 3.18Å; S63-F66 WeakPolarHBondContact O-CB 3.38Å; S63-F66 PolarHBondContact O-N 2.88Å; S63-Q67 WeakPolarHBondContact O-CG 3.42Å; S63-Q67 PolarHBondContact O-N 3.14Å; S63-N94 PolarHBondContact OG-ND2 2.95Å
64I93.6Very high93Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-58.2-48.3175.5-70.9161.9000110.6Y32 F37 A40 E41 C44 L60 L61 F66 Q67 C68Y32-I64 HydrophobicContact CD2-CG1 3.57Å; Y32-I64 HydrophobicContact CE2-CG1 4.2Å; Y32-I64 HydrophobicContact CG-CG1 4.39Å; F37-I64 HydrophobicContact CB-CG2 4.22Å; F37-I64 WeakPolarHBondContact O-CG2 3.42Å; A40-I64 HydrophobicContact CB-CD1 3.74Å; A40-I64 HydrophobicContact CB-CG1 4.23Å; E41-I64 HydrophobicContact CB-CG2 3.94Å; C44-I64 HydrophobicContact CB-CD1 4.28Å; L60-I64 HydrophobicContact CD1-CD1 4.09Å; L60-I64 HydrophobicContact CD1-CG1 4.19Å; L60-I64 HydrophobicContact CG-CD1 3.79Å; L60-I64 HydrophobicContact CG-CG1 4.39Å; L60-I64 WeakPolarHBondContact O-CB 3.31Å; L60-I64 WeakPolarHBondContact O-CD1 3.23Å; L60-I64 VanDerWaalsContact O-CG1 3.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.21Å; L60-I64 PolarHBondContact O-N 3.43Å; L61-I64 PolarHBondContact O-N 2.93Å; I64-F66 VanDerWaalsContact C-N 3.31Å; I64-F66 PolarHBondContact O-N 3.44Å; I64-Q67 PolarHBondContact O-N 3.27Å; I64-C68 PolarHBondContact O-N 3.3Å; I64-C68 PolarHBondContact O-SG 2.98Å
65H94.8Very high93.2Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-65.7-34.1178.8-79.7-57.3000112.9E41 L61 S62 S63 C68 R69 R70 R73 F77E41-H65 IonicContact OE1-CE1 3.42Å; E41-H65 PolarHBondContact OE1-CE1 3.49Å; E41-H65 IonicContact OE1-NE2 3.87Å; L61-H65 WeakPolarHBondContact O-CB 3.46Å; L61-H65 PolarHBondContact O-CD2 3.37Å; L61-H65 PolarHBondContact O-N 2.83Å; S62-H65 PolarHBondContact O-N 2.77Å; S63-H65 PolarHBondContact O-N 3.18Å; H65-C68 PolarHBondContact O-N 3.35Å; H65-R69 PolarHBondContact O-N 2.94Å; H65-R70 HydrophobicContact CB-CB 4.37Å; H65-R70 PolarHBondContact CE1-NH1 2.85Å; H65-R70 VanDerWaalsContact ND1-CZ 3.27Å; H65-R70 PolarHBondContact ND1-NE 3.32Å; H65-R70 PolarHBondContact ND1-NH2 2.89Å; H65-R70 PolarHBondContact O-N 3.17Å; H65-R73 HydrophobicContact CB-CB 4.11Å; H65-R73 VanDerWaalsContact CE1-CD 3.42Å; H65-R73 WeakPolarHBondContact CE1-CD 3.47Å; H65-F77 AromaticContact CD2-CD2 3.5Å; H65-F77 VanDerWaalsContact CD2-CD2 3.5Å; H65-F77 WeakPolarHBondContact CD2-CD2 3.22Å; H65-F77 AromaticContact CD2-CE2 3.49Å; H65-F77 VanDerWaalsContact CD2-CE2 3.49Å; H65-F77 WeakPolarHBondContact CD2-CE2 3.45Å; H65-F77 AromaticContact NE2-CD2 3.96Å; H65-F77 AromaticContact NE2-CE2 3.43Å; H65-F77 WeakPolarHBondContact NE2-CE2 3.15Å
66F93.8Very high93.4Very high44 Ų4446.4 Ų46.419%0.19322%0.224CC..Hα-helixtrans-62.6-49.9173.2-173.6-96.8000111.3S62 S63 I64 C68 R69 L71 N97 V98 E101S62-F66 WeakPolarHBondContact O-CB 3.38Å; S62-F66 PolarHBondContact O-N 3.28Å; S63-F66 WeakPolarHBondContact O-CB 3.38Å; S63-F66 PolarHBondContact O-N 2.88Å; I64-F66 VanDerWaalsContact C-N 3.31Å; I64-F66 PolarHBondContact O-N 3.44Å; F66-C68 PolarHBondContact O-N 2.95Å; F66-R69 WeakPolarHBondContact O-CA 3.47Å; F66-R69 PolarHBondContact O-N 2.95Å; F66-L71 HydrophobicContact CD2-CD2 3.98Å; F66-L71 HydrophobicContact CE2-CD2 4.08Å; F66-N97 HydrophobicContact CD2-CB 4.35Å; F66-N97 HydrophobicContact CE1-CB 4.49Å; F66-N97 HydrophobicContact CE2-CB 3.72Å; F66-N97 HydrophobicContact CZ-CB 3.8Å; F66-V98 HydrophobicContact CD2-CG2 3.87Å; F66-V98 HydrophobicContact CE2-CG2 4.34Å; F66-E101 HydrophobicContact CE2-CB 4.5Å; F66-E101 HydrophobicContact CE2-CG 3.74Å; F66-E101 HydrophobicContact CZ-CG 3.62Å
67Q92.5Very high93.7Very high96 Ų9645.2 Ų45.245%0.44921%0.209SC..Hα-helixtrans-60.3-34.2177.7-66-59.1-23.900112.4Y32 F37 S63 I64 R69Y32-Q67 HydrophobicContact CE2-CG 3.89Å; F37-Q67 HydrophobicContact CD1-CB 4.05Å; F37-Q67 HydrophobicContact CD1-CG 4.48Å; F37-Q67 HydrophobicContact CD2-CB 4.23Å; F37-Q67 HydrophobicContact CE1-CB 3.7Å; F37-Q67 HydrophobicContact CE1-CG 3.79Å; F37-Q67 HydrophobicContact CE2-CB 3.88Å; F37-Q67 HydrophobicContact CG-CB 4.31Å; F37-Q67 HydrophobicContact CZ-CB 3.6Å; F37-Q67 HydrophobicContact CZ-CG 3.85Å; S63-Q67 WeakPolarHBondContact O-CG 3.42Å; S63-Q67 PolarHBondContact O-N 3.14Å; I64-Q67 PolarHBondContact O-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.14Å
68C91.1Very high93.7Very high44 Ų4445 Ų4530%0.29721%0.208SC..THydrogen-bonded Turntrans-78.87.8174.5-62.60000114.5F37 I64 H65 F66 R70F37-C68 WeakPolarHBondContact CB-SG 3.44Å; I64-C68 PolarHBondContact O-N 3.3Å; I64-C68 PolarHBondContact O-SG 2.98Å; H65-C68 PolarHBondContact O-N 3.35Å; F66-C68 PolarHBondContact O-N 2.95Å; C68-R70 HydrophobicContact CB-CG 4.38Å; C68-R70 VanDerWaalsContact CB-NE 3.35Å; C68-R70 PolarHBondContact O-N 2.95Å; C68-R70 VanDerWaalsContact O-N 3.12Å; C68-R70 PolarHBondContact SG-NH2 3.41Å
69R90.2Very high93.7Very high203 Ų20348.4 Ų48.477%0.76623%0.229SC*.THydrogen-bonded Turntrans5425-172.9-61.6-160.4176.4-117.21.1115.2H65 F66 Q67 L71 E101H65-R69 PolarHBondContact O-N 2.94Å; F66-R69 WeakPolarHBondContact O-CA 3.47Å; F66-R69 PolarHBondContact O-N 2.95Å; Q67-R69 PolarHBondContact O-N 3.14Å; R69-L71 PolarHBondContact O-N 3.48Å; R69-E101 IonicContact NH1-OE2 3.24Å
70R93.8Very high93.8Very high80 Ų8049.4 Ų49.430%0.30223%0.234SC..  trans-92.767.3175.1-70177.4-72.9171.1-0.9110.1E41 H65 C68 D72 R73 S74E41-R70 IonicContact OE1-CZ 3.54Å; E41-R70 IonicContact OE1-NH1 2.85Å; E41-R70 PolarHBondContact OE1-NH1 3.14Å; E41-R70 IonicContact OE1-NH2 3.35Å; E41-R70 IonicContact OE2-CZ 2.95Å; E41-R70 IonicContact OE2-NH1 3.45Å; E41-R70 PolarHBondContact OE2-NH1 3.38Å; E41-R70 IonicContact OE2-NH2 3.06Å; E41-R70 PolarHBondContact OE2-NH2 3.3Å; H65-R70 HydrophobicContact CB-CB 4.37Å; H65-R70 PolarHBondContact CE1-NH1 2.85Å; H65-R70 VanDerWaalsContact ND1-CZ 3.27Å; H65-R70 PolarHBondContact ND1-NE 3.32Å; H65-R70 PolarHBondContact ND1-NH2 2.89Å; H65-R70 PolarHBondContact O-N 3.17Å; C68-R70 HydrophobicContact CB-CG 4.38Å; C68-R70 VanDerWaalsContact CB-NE 3.35Å; C68-R70 PolarHBondContact O-N 2.95Å; C68-R70 VanDerWaalsContact O-N 3.12Å; C68-R70 PolarHBondContact SG-NH2 3.41Å; R70-D72 PolarHBondContact O-N 3.23Å; R70-R73 PolarHBondContact O-N 3.09Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 VanDerWaalsContact O-N 3.09Å
71L93.3Very high93.8Very high39 Ų3949 Ų4920%0.20423%0.232CC..Hα-helixtrans-57.8-39.3-168.4-62.2-176.4000113.9F66 R69 R73 S74 A75 V98 E101 R102F66-L71 HydrophobicContact CD2-CD2 3.98Å; F66-L71 HydrophobicContact CE2-CD2 4.08Å; R69-L71 PolarHBondContact O-N 3.48Å; L71-R73 PolarHBondContact O-N 3.01Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.49Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.31Å; L71-V98 HydrophobicContact CB-CG1 4.01Å; L71-V98 HydrophobicContact CD2-CG1 4.46Å; L71-E101 HydrophobicContact CD1-CB 4.09Å; L71-E101 HydrophobicContact CD2-CB 4.32Å; L71-R102 HydrophobicContact CD1-CG 3.98Å
72D93.3Very high93.7Very high122 Ų12250.2 Ų50.265%0.65224%0.238SC*.Hα-helixtrans-63.7-41.5179.1-66.2-51.8000112.8R70 H76 R102R70-D72 PolarHBondContact O-N 3.23Å; D72-H76 WeakPolarHBondContact O-CB 3.46Å; D72-H76 PolarHBondContact O-N 2.81Å; D72-R102 IonicContact OD1-CZ 2.71Å; D72-R102 IonicContact OD1-NH1 3.73Å; D72-R102 IonicContact OD1-NH2 2.84Å; D72-R102 PolarHBondContact OD1-NH2 3.34Å
73R94.1Very high93.7Very high124 Ų12458.4 Ų58.447%0.46827%0.274SS..Hα-helixtrans-68.9-39.2176.2-72.6-165.6179.2-175.82.5111.2E41 H65 R70 L71 H76 F77E41-R73 IonicContact OE1-NH1 3.61Å; E41-R73 PolarHBondContact OE1-NH1 3.1Å; H65-R73 HydrophobicContact CB-CB 4.11Å; H65-R73 VanDerWaalsContact CE1-CD 3.42Å; H65-R73 WeakPolarHBondContact CE1-CD 3.47Å; R70-R73 PolarHBondContact O-N 3.09Å; L71-R73 PolarHBondContact O-N 3.01Å; R73-H76 WeakPolarHBondContact O-CB 3.36Å; R73-H76 PolarHBondContact O-N 2.99Å; R73-F77 HydrophobicContact CB-CE2 4.48Å; R73-F77 WeakPolarHBondContact O-CD2 3.44Å; R73-F77 PolarHBondContact O-N 3Å
74S94.9Very high93.6Very high1 Ų161.8 Ų61.81%0.00729%0.287CS..Hα-helixtrans-59.2-49.4175.1-1740000111.4S62 R70 L71 H76 F77 S78 V98S62-S74 WeakPolarHBondContact O-CB 3.42Å; S62-S74 PolarHBondContact O-OG 2.83Å; S62-S74 PolarHBondContact OG-O 3.01Å; S62-S74 PolarHBondContact OG-OG 3.49Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 VanDerWaalsContact O-N 3.09Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.49Å; S74-H76 VanDerWaalsContact C-N 3.31Å; S74-H76 PolarHBondContact O-N 2.95Å; S74-F77 PolarHBondContact O-N 3.14Å; S74-S78 WeakPolarHBondContact O-CB 3.49Å; S74-S78 PolarHBondContact O-N 3.21Å; S74-S78 PolarHBondContact O-OG 2.97Å; S74-V98 WeakPolarHBondContact OG-CG2 3.43Å
75A94.4Very high93.4Very high15 Ų1564.5 Ų64.512%0.12430%0.302CS..Hα-helixtrans-59-41.7174.600000112.2L71 S78 T79 L95 V98L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.31Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-T79 WeakPolarHBondContact O-CB 3.38Å; A75-T79 PolarHBondContact O-N 2.81Å; A75-T79 PolarHBondContact O-OG1 3.39Å; A75-L95 HydrophobicContact CB-CD1 3.84Å; A75-V98 HydrophobicContact CB-CG1 4.14Å
76H94.9Very high93.3Very high101 Ų10168.1 Ų68.147%0.46833%0.325SS..Hα-helixtrans-60.1-51.2178.4-179.569.9000112.1D72 R73 S74 T79 L80D72-H76 WeakPolarHBondContact O-CB 3.46Å; D72-H76 PolarHBondContact O-N 2.81Å; R73-H76 WeakPolarHBondContact O-CB 3.36Å; R73-H76 PolarHBondContact O-N 2.99Å; S74-H76 VanDerWaalsContact C-N 3.31Å; S74-H76 PolarHBondContact O-N 2.95Å; H76-T79 PolarHBondContact O-N 3.28Å; H76-L80 WeakPolarHBondContact NE2-CD1 3.44Å; H76-L80 WeakPolarHBondContact O-CG 3.47Å; H76-L80 PolarHBondContact O-N 2.82Å
77F95Very high93.3Very high8 Ų872.1 Ų72.14%0.03535%0.348CS..Hα-helixtrans-69.4-34.9180-71.9-66.3000112.8M45 W48 L58 L61 H65 R73 S74 T79 L80 A81M45-F77 HydrophobicContact CE-CZ 4.38Å; M45-F77 HydrophobicContact SD-CZ 4.01Å; W48-F77 HydrophobicContact CD2-CE1 4.03Å; W48-F77 AromaticContact CE2-CE1 3.98Å; W48-F77 AromaticContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CZ 4.3Å; W48-F77 AromaticContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CZ 4.29Å; W48-F77 AromaticContact CZ2-CE1 3.89Å; W48-F77 HydrophobicContact CZ2-CE1 3.89Å; W48-F77 AromaticContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CZ 4.04Å; L58-F77 HydrophobicContact CD2-CD1 3.86Å; L61-F77 HydrophobicContact CB-CB 4.24Å; L61-F77 HydrophobicContact CB-CD1 4.16Å; L61-F77 HydrophobicContact CB-CD2 4Å; L61-F77 HydrophobicContact CB-CE2 4.4Å; L61-F77 HydrophobicContact CB-CG 3.87Å; L61-F77 HydrophobicContact CD1-CD1 3.95Å; L61-F77 HydrophobicContact CD1-CE1 3.72Å; L61-F77 HydrophobicContact CD1-CG 4.48Å; L61-F77 HydrophobicContact CD1-CZ 4.07Å; H65-F77 AromaticContact CD2-CD2 3.5Å; H65-F77 VanDerWaalsContact CD2-CD2 3.5Å; H65-F77 WeakPolarHBondContact CD2-CD2 3.22Å; H65-F77 AromaticContact CD2-CE2 3.49Å; H65-F77 VanDerWaalsContact CD2-CE2 3.49Å; H65-F77 WeakPolarHBondContact CD2-CE2 3.45Å; H65-F77 AromaticContact NE2-CD2 3.96Å; H65-F77 AromaticContact NE2-CE2 3.43Å; H65-F77 WeakPolarHBondContact NE2-CE2 3.15Å; R73-F77 HydrophobicContact CB-CE2 4.48Å; R73-F77 WeakPolarHBondContact O-CD2 3.44Å; R73-F77 PolarHBondContact O-N 3Å; S74-F77 PolarHBondContact O-N 3.14Å; F77-T79 VanDerWaalsContact C-N 3.33Å; F77-T79 PolarHBondContact O-N 3.34Å; F77-L80 HydrophobicContact CD1-CD1 4.12Å; F77-L80 HydrophobicContact CE1-CD1 4.45Å; F77-L80 PolarHBondContact O-N 3.45Å; F77-A81 WeakPolarHBondContact O-CB 3.39Å; F77-A81 PolarHBondContact O-N 3.43Å
78S94.3Very high93.2Very high0 Ų068.6 Ų68.60%033%0.332CS..Hα-helixtrans-59.9-43.2169.3-79.20000112S62 S74 A75 A81 I82 N94S62-S78 PolarHBondContact OG-OG 3.32Å; S74-S78 WeakPolarHBondContact O-CB 3.49Å; S74-S78 PolarHBondContact O-N 3.21Å; S74-S78 PolarHBondContact O-OG 2.97Å; A75-S78 PolarHBondContact O-N 3.32Å; S78-A81 WeakPolarHBondContact O-CB 3.47Å; S78-A81 PolarHBondContact O-N 3.33Å; S78-I82 WeakPolarHBondContact O-CG1 3.21Å; S78-I82 PolarHBondContact O-N 2.93Å; S78-N94 WeakPolarHBondContact OG-CB 3.41Å
79T94.7Very high93.3Very high75 Ų7566.6 Ų66.646%0.4632%0.318SS..Hα-helixtrans-66.4-39.5178.7-55.70000111.7A75 H76 F77 I82 K83A75-T79 WeakPolarHBondContact O-CB 3.38Å; A75-T79 PolarHBondContact O-N 2.81Å; A75-T79 PolarHBondContact O-OG1 3.39Å; H76-T79 PolarHBondContact O-N 3.28Å; F77-T79 VanDerWaalsContact C-N 3.33Å; F77-T79 PolarHBondContact O-N 3.34Å; T79-I82 PolarHBondContact O-N 3.33Å; T79-K83 WeakPolarHBondContact O-CB 3.43Å; T79-K83 PolarHBondContact O-N 2.9Å
80L94.4Very high93.5Very high51 Ų5159.8 Ų59.827%0.26730%0.295SS..Hα-helixtrans-62.4-42.7172.5-72.8176.4000111.4W48 L58 H76 F77 I82 K83 Q84W48-L80 HydrophobicContact CZ2-CD1 4.05Å; L58-L80 HydrophobicContact CD1-CB 4.22Å; L58-L80 HydrophobicContact CD2-CB 4.07Å; L58-L80 HydrophobicContact CD2-CD1 4.32Å; H76-L80 WeakPolarHBondContact NE2-CD1 3.44Å; H76-L80 WeakPolarHBondContact O-CG 3.47Å; H76-L80 PolarHBondContact O-N 2.82Å; F77-L80 HydrophobicContact CD1-CD1 4.12Å; F77-L80 HydrophobicContact CE1-CD1 4.45Å; F77-L80 PolarHBondContact O-N 3.45Å; L80-I82 PolarHBondContact O-N 3.45Å; L80-K83 PolarHBondContact O-N 3.43Å; L80-Q84 PolarHBondContact O-N 3.27Å
81A93.2Very high93.5Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-61.8-42.9176.900000111.9L58 L59 F77 S78 Q84 N85 L88 A91L58-A81 HydrophobicContact CB-CB 3.82Å; L58-A81 HydrophobicContact CD1-CB 4.32Å; L59-A81 HydrophobicContact CD2-CB 4.48Å; F77-A81 WeakPolarHBondContact O-CB 3.39Å; F77-A81 PolarHBondContact O-N 3.43Å; S78-A81 WeakPolarHBondContact O-CB 3.47Å; S78-A81 PolarHBondContact O-N 3.33Å; A81-Q84 PolarHBondContact O-N 2.86Å; A81-N85 PolarHBondContact O-N 3.34Å; A81-L88 HydrophobicContact CB-CD2 4.09Å; A81-A91 HydrophobicContact CB-CB 3.91Å
82I93.6Very high93.6Very high26 Ų2655.3 Ų55.313%0.13328%0.276CS..Hα-helixtrans-63.4-43.2175.2-68.5164.4000111S78 T79 L80 Q84 N85 P86 A91 Y92 L95S78-I82 WeakPolarHBondContact O-CG1 3.21Å; S78-I82 PolarHBondContact O-N 2.93Å; T79-I82 PolarHBondContact O-N 3.33Å; L80-I82 PolarHBondContact O-N 3.45Å; I82-Q84 PolarHBondContact O-N 3.04Å; I82-N85 CarbonylContact O-C 3.51Å; I82-N85 PolarHBondContact O-N 3.48Å; I82-P86 WeakPolarHBondContact O-CA 3.38Å; I82-P86 WeakPolarHBondContact O-CD 3.28Å; I82-P86 VanDerWaalsContact O-N 3.08Å; I82-A91 HydrophobicContact CD1-CB 4.35Å; I82-A91 HydrophobicContact CG1-CB 3.64Å; I82-Y92 HydrophobicContact CD1-CD1 3.81Å; I82-Y92 HydrophobicContact CD1-CD2 4.45Å; I82-Y92 HydrophobicContact CD1-CE1 3.86Å; I82-Y92 HydrophobicContact CD1-CE2 4.48Å; I82-Y92 HydrophobicContact CD1-CG 4.13Å; I82-Y92 HydrophobicContact CG1-CD1 4.42Å; I82-Y92 HydrophobicContact CG1-CD2 4.26Å; I82-Y92 HydrophobicContact CG1-CE1 4.27Å; I82-Y92 HydrophobicContact CG1-CE2 4.08Å; I82-Y92 HydrophobicContact CG1-CG 4.43Å; I82-Y92 HydrophobicContact CG2-CE1 4.12Å; I82-Y92 HydrophobicContact CG2-CE2 4.22Å; I82-Y92 WeakPolarHBondContact CG2-OH 3.17Å; I82-L95 HydrophobicContact CD1-CD2 3.96Å
83K93.2Very high93.7Very high173 Ų17349.6 Ų49.675%0.75225%0.246SC*.Hα-helixtrans-61.4-37.7179-171.7-179.9179.2-175.10111.5T79 L80T79-K83 WeakPolarHBondContact O-CB 3.43Å; T79-K83 PolarHBondContact O-N 2.9Å; L80-K83 PolarHBondContact O-N 3.43Å
84Q91.7Very high93.7Very high95 Ų9545 Ų4544%0.44423%0.23SC..Hα-helixtrans-77.9-38.3179.6-170.459.41800112.9D53 T55 L80 A81 I82D53-Q84 HydrophobicContact CB-CG 4.23Å; D53-Q84 WeakPolarHBondContact O-CG 3.36Å; T55-Q84 HydrophobicContact CG2-CB 4.07Å; T55-Q84 HydrophobicContact CG2-CG 3.91Å; L80-Q84 PolarHBondContact O-N 3.27Å; A81-Q84 PolarHBondContact O-N 2.86Å; I82-Q84 PolarHBondContact O-N 3.04Å
85N91.2Very high93.6Very high58 Ų5845.4 Ų45.431%0.3123%0.232SC..  trans-139.198.5173.7-177.21.8000110.9T55 A81 I82 L87 L88T55-N85 HydrophobicContact CG2-CB 3.9Å; A81-N85 PolarHBondContact O-N 3.34Å; I82-N85 CarbonylContact O-C 3.51Å; I82-N85 PolarHBondContact O-N 3.48Å; N85-L87 PolarHBondContact O-N 2.94Å; N85-L87 VanDerWaalsContact O-N 3.08Å; N85-L87 WeakPolarHBondContact OD1-CB 3.49Å; N85-L87 PolarHBondContact OD1-N 3.14Å; N85-L88 HydrophobicContact CB-CB 4.28Å; N85-L88 VanDerWaalsContact O-CB 3.3Å; N85-L88 WeakPolarHBondContact O-CB 3.38Å; N85-L88 PolarHBondContact O-N 3.45Å
86P92.5Very high93.7Very high76 Ų7644.7 Ų44.749%0.49423%0.226SC..THydrogen-bonded Turntrans-65-11.1179.6-24.935000115.1I82 Y92I82-P86 WeakPolarHBondContact O-CA 3.38Å; I82-P86 WeakPolarHBondContact O-CD 3.28Å; I82-P86 VanDerWaalsContact O-N 3.08Å; P86-Y92 WeakPolarHBondContact O-CE2 3.32Å; P86-Y92 PolarHBondContact O-OH 3.39Å
87L92.3Very high93.6Very high128 Ų12841 Ų4167%0.6721%0.21SC*.THydrogen-bonded Turntrans-93.64.2178.7-60.7175.7000113.3N85 A89 L118N85-L87 PolarHBondContact O-N 2.94Å; N85-L87 VanDerWaalsContact O-N 3.08Å; N85-L87 WeakPolarHBondContact OD1-CB 3.49Å; N85-L87 PolarHBondContact OD1-N 3.14Å; L87-A89 PolarHBondContact O-N 2.95Å; L87-L118 HydrophobicContact CD2-CD2 3.76Å
88L91.9Very high93.6Very high21 Ų2140.6 Ų40.611%0.1121%0.208CC..  trans-82.692.6-175.4-165.565.4000111.9T55 L59 A81 N85 E90 A91 Y92T55-L88 HydrophobicContact CG2-CD2 4.31Å; L59-L88 HydrophobicContact CD1-CD1 4.08Å; L59-L88 HydrophobicContact CD1-CD2 3.75Å; L59-L88 HydrophobicContact CD1-CG 4.06Å; L59-L88 HydrophobicContact CD2-CD2 3.98Å; L59-L88 HydrophobicContact CD2-CG 4.46Å; L59-L88 HydrophobicContact CG-CD2 3.82Å; A81-L88 HydrophobicContact CB-CD2 4.09Å; N85-L88 HydrophobicContact CB-CB 4.28Å; N85-L88 VanDerWaalsContact O-CB 3.3Å; N85-L88 WeakPolarHBondContact O-CB 3.38Å; N85-L88 PolarHBondContact O-N 3.45Å; L88-E90 VanDerWaalsContact C-N 3.28Å; L88-E90 PolarHBondContact O-N 3.42Å; L88-A91 HydrophobicContact CB-CB 4.37Å; L88-A91 HydrophobicContact CD2-CB 4.07Å; L88-A91 HydrophobicContact CG-CB 4.23Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A91 VanDerWaalsContact O-N 3.15Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å
89A92.9Very high93.6Very high2 Ų243.4 Ų43.42%0.01722%0.219CC..Hα-helixtrans-57.3-37.6-177.200000113.6L87 A91 Y92 S93 A115 L118 K119 F122L87-A89 PolarHBondContact O-N 2.95Å; A89-A91 VanDerWaalsContact C-N 3.25Å; A89-A91 PolarHBondContact O-N 3.25Å; A89-Y92 PolarHBondContact O-N 3.24Å; A89-S93 PolarHBondContact O-N 2.95Å; A89-A115 HydrophobicContact CB-CB 4.37Å; A89-A115 WeakPolarHBondContact CB-O 3.49Å; A89-A115 WeakPolarHBondContact O-CB 3.33Å; A89-L118 HydrophobicContact CB-CB 4.1Å; A89-K119 HydrophobicContact CB-CB 3.48Å; A89-K119 VanDerWaalsContact CB-CB 3.48Å; A89-K119 HydrophobicContact CB-CD 4.18Å; A89-K119 HydrophobicContact CB-CG 4.49Å; A89-F122 HydrophobicContact CB-CD1 4.21Å; A89-F122 HydrophobicContact CB-CE1 4.49Å
90E93.2Very high93.6Very high60 Ų6042.2 Ų42.228%0.2821%0.208SC..Hα-helixtrans-60.3-34.2179.4-65.279.6-175.900112L59 L88 S93 N94 K119 F122L59-E90 HydrophobicContact CD1-CB 3.9Å; L59-E90 HydrophobicContact CD2-CB 3.95Å; L88-E90 VanDerWaalsContact C-N 3.28Å; L88-E90 PolarHBondContact O-N 3.42Å; E90-S93 PolarHBondContact O-N 3.39Å; E90-N94 WeakPolarHBondContact O-CB 3.49Å; E90-N94 PolarHBondContact O-N 3.13Å; E90-K119 IonicContact OE1-NZ 3.59Å; E90-K119 PolarHBondContact OE1-NZ 2.97Å; E90-F122 HydrophobicContact CG-CZ 4.27Å
91A94Very high93.4Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-71.5-39.7179.400000111.9L59 A81 I82 L88 A89 L95L59-A91 HydrophobicContact CD2-CB 3.71Å; A81-A91 HydrophobicContact CB-CB 3.91Å; I82-A91 HydrophobicContact CD1-CB 4.35Å; I82-A91 HydrophobicContact CG1-CB 3.64Å; L88-A91 HydrophobicContact CB-CB 4.37Å; L88-A91 HydrophobicContact CD2-CB 4.07Å; L88-A91 HydrophobicContact CG-CB 4.23Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A91 VanDerWaalsContact O-N 3.15Å; A89-A91 VanDerWaalsContact C-N 3.25Å; A89-A91 PolarHBondContact O-N 3.25Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.32Å
92Y96.3Very high93.4Very high25 Ų2548.8 Ų48.810%0.09823%0.233CC..Hα-helixtrans-65.8-39.4173.2-70.3-82.2000111.8I82 P86 L88 A89 L95 G96 H111 H114 L118I82-Y92 HydrophobicContact CD1-CD1 3.81Å; I82-Y92 HydrophobicContact CD1-CD2 4.45Å; I82-Y92 HydrophobicContact CD1-CE1 3.86Å; I82-Y92 HydrophobicContact CD1-CE2 4.48Å; I82-Y92 HydrophobicContact CD1-CG 4.13Å; I82-Y92 HydrophobicContact CG1-CD1 4.42Å; I82-Y92 HydrophobicContact CG1-CD2 4.26Å; I82-Y92 HydrophobicContact CG1-CE1 4.27Å; I82-Y92 HydrophobicContact CG1-CE2 4.08Å; I82-Y92 HydrophobicContact CG1-CG 4.43Å; I82-Y92 HydrophobicContact CG2-CE1 4.12Å; I82-Y92 HydrophobicContact CG2-CE2 4.22Å; I82-Y92 WeakPolarHBondContact CG2-OH 3.17Å; P86-Y92 WeakPolarHBondContact O-CE2 3.32Å; P86-Y92 PolarHBondContact O-OH 3.39Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; A89-Y92 PolarHBondContact O-N 3.24Å; Y92-L95 PolarHBondContact O-N 2.6Å; Y92-G96 PolarHBondContact O-N 3Å; Y92-H111 AromaticContact CD1-ND1 3.84Å; Y92-H114 HydrophobicContact CD1-CB 4.4Å; Y92-H114 AromaticContact CE1-CD2 3.81Å; Y92-L118 HydrophobicContact CD2-CD1 3.57Å; Y92-L118 HydrophobicContact CE2-CD1 3.43Å; Y92-L118 VanDerWaalsContact CE2-CD1 3.43Å
93S94.4Very high93.2Very high3 Ų350.1 Ų50.12%0.02125%0.254CS..Hα-helixtrans-66.4-42.4176.2-178.10000112.5A89 E90 L95 G96 N97 Y112A89-S93 PolarHBondContact O-N 2.95Å; E90-S93 PolarHBondContact O-N 3.39Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 2.84Å; S93-G96 PolarHBondContact O-N 3.24Å; S93-N97 PolarHBondContact O-N 3.38Å; S93-Y112 WeakPolarHBondContact O-CE1 3.43Å
94N93.9Very high93.2Very high28 Ų2845 Ų4515%0.1523%0.232CC..Hα-helixtrans-59.5-42.6172.6-81.9-5.2000112S63 S78 E90 N97 V98S63-N94 PolarHBondContact OG-ND2 2.95Å; S78-N94 WeakPolarHBondContact OG-CB 3.41Å; E90-N94 WeakPolarHBondContact O-CB 3.49Å; E90-N94 PolarHBondContact O-N 3.13Å; N94-N97 WeakPolarHBondContact O-CB 3.37Å; N94-N97 PolarHBondContact O-N 3.16Å; N94-V98 PolarHBondContact O-N 3.39Å; N94-V98 VanDerWaalsContact O-N 3.15Å
95L94.6Very high93.2Very high9 Ų942.5 Ų42.55%0.04722%0.222CC..Hα-helixtrans-65.5-39.5175.7-168.361.6000111.7A75 I82 A91 Y92 S93 N97 V98 Y99A75-L95 HydrophobicContact CB-CD1 3.84Å; I82-L95 HydrophobicContact CD1-CD2 3.96Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.32Å; Y92-L95 PolarHBondContact O-N 2.6Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 2.84Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 2.85Å; L95-V98 WeakPolarHBondContact O-CB 3.44Å; L95-V98 PolarHBondContact O-N 3Å; L95-Y99 HydrophobicContact CD1-CD2 4.47Å; L95-Y99 HydrophobicContact CD1-CE2 3.97Å; L95-Y99 HydrophobicContact CD2-CE2 4.14Å; L95-Y99 HydrophobicContact CG-CD2 4.04Å; L95-Y99 HydrophobicContact CG-CE2 3.67Å; L95-Y99 VanDerWaalsContact O-CD2 3.22Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 2.85Å
96G94.9Very high93.3Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-58.8-42.6172.100000112.7Y92 S93 V98 Y99 K100 A108 Y112Y92-G96 PolarHBondContact O-N 3Å; S93-G96 PolarHBondContact O-N 3.24Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.45Å; G96-Y99 PolarHBondContact O-N 3.26Å; G96-K100 WeakPolarHBondContact O-CB 3.45Å; G96-K100 PolarHBondContact O-N 3.17Å; G96-A108 WeakPolarHBondContact O-CB 3.34Å; G96-Y112 VanDerWaalsContact C-CZ 3.43Å; G96-Y112 VanDerWaalsContact C-OH 3.31Å; G96-Y112 PolarHBondContact O-OH 2.92Å
97N93.9Very high93.4Very high22 Ų2245.1 Ų45.112%0.11823%0.225CC..Hα-helixtrans-59.1-41.7174.4-68.7-25000111.7F66 S93 N94 L95 K100 E101 Y112F66-N97 HydrophobicContact CD2-CB 4.35Å; F66-N97 HydrophobicContact CE1-CB 4.49Å; F66-N97 HydrophobicContact CE2-CB 3.72Å; F66-N97 HydrophobicContact CZ-CB 3.8Å; S93-N97 PolarHBondContact O-N 3.38Å; N94-N97 WeakPolarHBondContact O-CB 3.37Å; N94-N97 PolarHBondContact O-N 3.16Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 2.85Å; N97-K100 PolarHBondContact O-N 3.14Å; N97-E101 WeakPolarHBondContact O-CG 3.41Å; N97-E101 PolarHBondContact O-N 3.09Å; N97-E101 VanDerWaalsContact O-N 3.07Å; N97-Y112 WeakPolarHBondContact CA-OH 3.39Å; N97-Y112 PolarHBondContact N-OH 2.98Å; N97-Y112 WeakPolarHBondContact OD1-CE1 3.29Å; N97-Y112 PolarHBondContact OD1-OH 3.26Å
98V94.4Very high93.5Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-62.8-46.7176.5174.70000111.5F66 L71 S74 A75 N94 L95 G96 K100 E101 R102F66-V98 HydrophobicContact CD2-CG2 3.87Å; F66-V98 HydrophobicContact CE2-CG2 4.34Å; L71-V98 HydrophobicContact CB-CG1 4.01Å; L71-V98 HydrophobicContact CD2-CG1 4.46Å; S74-V98 WeakPolarHBondContact OG-CG2 3.43Å; A75-V98 HydrophobicContact CB-CG1 4.14Å; N94-V98 PolarHBondContact O-N 3.39Å; N94-V98 VanDerWaalsContact O-N 3.15Å; L95-V98 WeakPolarHBondContact O-CB 3.44Å; L95-V98 PolarHBondContact O-N 3Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.45Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 2.96Å; V98-E101 PolarHBondContact O-N 3.11Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.87Å; V98-R102 VanDerWaalsContact O-N 3.16Å
99Y95Very high93.7Very high59 Ų5938.2 Ų38.223%0.23119%0.189CC..Hα-helixtrans-64-38.6178.3-76.9-63.5000112.3L95 G96 R102 G103 Q104 E107 H111L95-Y99 HydrophobicContact CD1-CD2 4.47Å; L95-Y99 HydrophobicContact CD1-CE2 3.97Å; L95-Y99 HydrophobicContact CD2-CE2 4.14Å; L95-Y99 HydrophobicContact CG-CD2 4.04Å; L95-Y99 HydrophobicContact CG-CE2 3.67Å; L95-Y99 VanDerWaalsContact O-CD2 3.22Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 2.85Å; G96-Y99 PolarHBondContact O-N 3.26Å; Y99-R102 PolarHBondContact O-N 3.31Å; Y99-R102 VanDerWaalsContact O-N 3.14Å; Y99-G103 PolarHBondContact O-N 3.33Å; Y99-Q104 HydrophobicContact CD1-CB 3.95Å; Y99-Q104 HydrophobicContact CD1-CG 4.45Å; Y99-Q104 PolarHBondContact O-N 2.81Å; Y99-E107 HydrophobicContact CD1-CB 3.98Å; Y99-E107 HydrophobicContact CD2-CB 4.25Å; Y99-E107 HydrophobicContact CE1-CB 4.36Å; Y99-E107 HydrophobicContact CG-CB 3.92Å; Y99-H111 AromaticContact CD2-CD2 3.36Å; Y99-H111 WeakPolarHBondContact CD2-CD2 3.29Å; Y99-H111 AromaticContact CD2-NE2 3.78Å; Y99-H111 AromaticContact CE2-CD2 3.38Å; Y99-H111 WeakPolarHBondContact CE2-CD2 3.31Å; Y99-H111 AromaticContact CE2-NE2 3.24Å; Y99-H111 WeakPolarHBondContact CE2-NE2 3.13Å
100K93.3Very high93.8Very high50 Ų5043.9 Ų43.922%0.21722%0.216CC..Hα-helixtrans-59.7-48.2175.3-170.6-174.572.2-176.30111.5G96 N97 V98 R102 G103 L105 A108 A132G96-K100 WeakPolarHBondContact O-CB 3.45Å; G96-K100 PolarHBondContact O-N 3.17Å; N97-K100 PolarHBondContact O-N 3.14Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 2.96Å; K100-R102 PolarHBondContact O-N 3.19Å; K100-G103 PolarHBondContact O-N 2.82Å; K100-L105 HydrophobicContact CG-CD2 4.37Å; K100-A108 HydrophobicContact CB-CB 3.99Å; K100-A132 HydrophobicContact CD-CB 4.34Å
101E91.6Very high93.9Very high95 Ų9543 Ų4344%0.44421%0.211SC..Hα-helixtrans-65.3-21.4177.5-71.3-62131.700113.4F66 R69 L71 N97 V98 G103F66-E101 HydrophobicContact CE2-CB 4.5Å; F66-E101 HydrophobicContact CE2-CG 3.74Å; F66-E101 HydrophobicContact CZ-CG 3.62Å; R69-E101 IonicContact NH1-OE2 3.24Å; L71-E101 HydrophobicContact CD1-CB 4.09Å; L71-E101 HydrophobicContact CD2-CB 4.32Å; N97-E101 WeakPolarHBondContact O-CG 3.41Å; N97-E101 PolarHBondContact O-N 3.09Å; N97-E101 VanDerWaalsContact O-N 3.07Å; V98-E101 PolarHBondContact O-N 3.11Å; E101-G103 VanDerWaalsContact C-N 3.32Å
102R92.3Very high94.1Very high94 Ų9443 Ų4336%0.35521%0.211SC..THydrogen-bonded Turntrans-83.9-3.9172.6-69.1175.5-178.7-161.3-6.1113.8L71 D72 V98 Y99 K100 Q104L71-R102 HydrophobicContact CD1-CG 3.98Å; D72-R102 IonicContact OD1-CZ 2.71Å; D72-R102 IonicContact OD1-NH1 3.73Å; D72-R102 IonicContact OD1-NH2 2.84Å; D72-R102 PolarHBondContact OD1-NH2 3.34Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.87Å; V98-R102 VanDerWaalsContact O-N 3.16Å; Y99-R102 PolarHBondContact O-N 3.31Å; Y99-R102 VanDerWaalsContact O-N 3.14Å; K100-R102 PolarHBondContact O-N 3.19Å; R102-Q104 HydrophobicContact CB-CG 4.14Å; R102-Q104 PolarHBondContact O-N 2.95Å
103G88.9Confident94Very high55 Ų5547 Ų4757%0.56723%0.226SC*.THydrogen-bonded Turntrans75.79-172.400000114.2Y99 K100 E101 L105Y99-G103 PolarHBondContact O-N 3.33Å; K100-G103 PolarHBondContact O-N 2.82Å; E101-G103 VanDerWaalsContact C-N 3.32Å; G103-L105 VanDerWaalsContact C-N 3.29Å; G103-L105 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact O-N 3.09Å
104Q93.7Very high94.1Very high64 Ų6449.7 Ų49.730%0.29924%0.238SC..  trans-86.370.9177.5-65.2-176.5-88.400109.6Y99 R102 Q106 E107 A108Y99-Q104 HydrophobicContact CD1-CB 3.95Å; Y99-Q104 HydrophobicContact CD1-CG 4.45Å; Y99-Q104 PolarHBondContact O-N 2.81Å; R102-Q104 HydrophobicContact CB-CG 4.14Å; R102-Q104 PolarHBondContact O-N 2.95Å; Q104-Q106 PolarHBondContact O-N 2.81Å; Q104-E107 HydrophobicContact CB-CB 4.49Å; Q104-E107 PolarHBondContact NE2-OE1 2.86Å; Q104-A108 WeakPolarHBondContact O-CB 3.49Å; Q104-A108 PolarHBondContact O-N 2.79Å; Q104-A108 VanDerWaalsContact O-N 3.09Å
105L92.7Very high94.1Very high44 Ų4448.3 Ų48.323%0.2323%0.231CC..Hα-helixtrans-67.3-35.2-167.2-63.6177.1000113.4K100 G103 A108 I109 A135 A136K100-L105 HydrophobicContact CG-CD2 4.37Å; G103-L105 VanDerWaalsContact C-N 3.29Å; G103-L105 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact O-N 3.09Å; L105-A108 PolarHBondContact O-N 3.16Å; L105-I109 WeakPolarHBondContact O-CB 3.27Å; L105-I109 WeakPolarHBondContact O-CD1 3.49Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 2.94Å; L105-A135 HydrophobicContact CD1-CB 4.01Å; L105-A135 WeakPolarHBondContact CD1-O 3.33Å; L105-A135 HydrophobicContact CD2-CB 3.99Å; L105-A136 HydrophobicContact CB-CB 4.4Å; L105-A136 HydrophobicContact CD1-CB 4.19Å
106Q93.1Very high94.1Very high116 Ų11648.6 Ų48.654%0.54223%0.233SC..Hα-helixtrans-68.5-46.6-179.3-71.5-63.1-16.400111.3Q104 A108 I109 E110Q104-Q106 PolarHBondContact O-N 2.81Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; Q106-A108 PolarHBondContact O-N 2.98Å; Q106-I109 PolarHBondContact O-N 3.46Å; Q106-E110 WeakPolarHBondContact O-CG 3.36Å; Q106-E110 PolarHBondContact O-N 3.33Å
107E93.4Very high94.2Very high72 Ų7256.6 Ų56.634%0.33626%0.263SS..Hα-helixtrans-61.3-40.7176-60.395.2133.100110.8Y99 Q104 E110 H111Y99-E107 HydrophobicContact CD1-CB 3.98Å; Y99-E107 HydrophobicContact CD2-CB 4.25Å; Y99-E107 HydrophobicContact CE1-CB 4.36Å; Y99-E107 HydrophobicContact CG-CB 3.92Å; Q104-E107 HydrophobicContact CB-CB 4.49Å; Q104-E107 PolarHBondContact NE2-OE1 2.86Å; E107-E110 PolarHBondContact O-N 3.31Å; E107-H111 PolarHBondContact O-CD2 3.03Å; E107-H111 PolarHBondContact O-N 2.84Å
108A95.4Very high94.1Very high0 Ų058.1 Ų58.10%027%0.27CS..Hα-helixtrans-59-49.3174.300000112G96 K100 Q104 L105 Q106 E110 H111 Y112G96-A108 WeakPolarHBondContact O-CB 3.34Å; K100-A108 HydrophobicContact CB-CB 3.99Å; Q104-A108 WeakPolarHBondContact O-CB 3.49Å; Q104-A108 PolarHBondContact O-N 2.79Å; Q104-A108 VanDerWaalsContact O-N 3.09Å; L105-A108 PolarHBondContact O-N 3.16Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; Q106-A108 PolarHBondContact O-N 2.98Å; A108-E110 VanDerWaalsContact C-N 3.34Å; A108-E110 PolarHBondContact O-N 2.99Å; A108-H111 PolarHBondContact O-N 3.25Å; A108-Y112 HydrophobicContact CB-CD2 4.5Å; A108-Y112 HydrophobicContact CB-CE2 4.03Å; A108-Y112 WeakPolarHBondContact O-CD2 3.5Å; A108-Y112 PolarHBondContact O-N 3.26Å
109I95.8Very high94.1Very high4 Ų461.3 Ų61.32%0.02128%0.284CS..Hα-helixtrans-59.8-43.6178.4-71.8161.8000111.1L105 Q106 Y112 R113 L129 A132 L133 A136L105-I109 WeakPolarHBondContact O-CB 3.27Å; L105-I109 WeakPolarHBondContact O-CD1 3.49Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 2.94Å; Q106-I109 PolarHBondContact O-N 3.46Å; I109-Y112 PolarHBondContact O-N 3.48Å; I109-R113 HydrophobicContact CG2-CG 4.41Å; I109-R113 WeakPolarHBondContact O-CB 3.47Å; I109-R113 VanDerWaalsContact O-CG 3.32Å; I109-R113 WeakPolarHBondContact O-CG 3.38Å; I109-R113 PolarHBondContact O-N 2.65Å; I109-L129 HydrophobicContact CB-CD1 4.35Å; I109-L129 HydrophobicContact CG1-CD1 4.29Å; I109-L129 HydrophobicContact CG2-CD1 3.91Å; I109-A132 HydrophobicContact CG1-CB 3.96Å; I109-L133 HydrophobicContact CD1-CD2 3.79Å; I109-L133 HydrophobicContact CD1-CG 4.43Å; I109-L133 HydrophobicContact CG1-CD2 4.16Å; I109-L133 HydrophobicContact CG1-CG 4.45Å; I109-L133 HydrophobicContact CG2-CD2 4.29Å; I109-A136 HydrophobicContact CD1-CB 3.96Å
110E95.7Very high94Very high122 Ų12261.7 Ų61.757%0.5729%0.294SS*.Hα-helixtrans-61.4-44.5177.3-74.4-177.9179.900112Q106 E107 A108 R113 H114Q106-E110 WeakPolarHBondContact O-CG 3.36Å; Q106-E110 PolarHBondContact O-N 3.33Å; E107-E110 PolarHBondContact O-N 3.31Å; A108-E110 VanDerWaalsContact C-N 3.34Å; A108-E110 PolarHBondContact O-N 2.99Å; E110-R113 PolarHBondContact O-N 3.44Å; E110-H114 WeakPolarHBondContact O-CB 3.41Å; E110-H114 PolarHBondContact O-N 3.1Å
111H95.8Very high93.9Very high40 Ų4063.6 Ų63.619%0.18531%0.307CS..Hα-helixtrans-66.1-42177.7-78.7-59.7000112.7Y92 Y99 E107 A108 H114 A115Y92-H111 AromaticContact CD1-ND1 3.84Å; Y99-H111 AromaticContact CD2-CD2 3.36Å; Y99-H111 WeakPolarHBondContact CD2-CD2 3.29Å; Y99-H111 AromaticContact CD2-NE2 3.78Å; Y99-H111 AromaticContact CE2-CD2 3.38Å; Y99-H111 WeakPolarHBondContact CE2-CD2 3.31Å; Y99-H111 AromaticContact CE2-NE2 3.24Å; Y99-H111 WeakPolarHBondContact CE2-NE2 3.13Å; E107-H111 PolarHBondContact O-CD2 3.03Å; E107-H111 PolarHBondContact O-N 2.84Å; A108-H111 PolarHBondContact O-N 3.25Å; H111-H114 PolarHBondContact O-N 3.2Å; H111-A115 PolarHBondContact O-N 2.64Å
112Y96.6Very high94Very high0 Ų060.1 Ų60.10%029%0.29CS..Hα-helixtrans-64.7-44.5174.2-62.9-50.6000112S93 G96 N97 A108 I109 H114 A115 L116 N128 L129 A132S93-Y112 WeakPolarHBondContact O-CE1 3.43Å; G96-Y112 VanDerWaalsContact C-CZ 3.43Å; G96-Y112 VanDerWaalsContact C-OH 3.31Å; G96-Y112 PolarHBondContact O-OH 2.92Å; N97-Y112 WeakPolarHBondContact CA-OH 3.39Å; N97-Y112 PolarHBondContact N-OH 2.98Å; N97-Y112 WeakPolarHBondContact OD1-CE1 3.29Å; N97-Y112 PolarHBondContact OD1-OH 3.26Å; A108-Y112 HydrophobicContact CB-CD2 4.5Å; A108-Y112 HydrophobicContact CB-CE2 4.03Å; A108-Y112 WeakPolarHBondContact O-CD2 3.5Å; A108-Y112 PolarHBondContact O-N 3.26Å; I109-Y112 PolarHBondContact O-N 3.48Å; Y112-H114 PolarHBondContact O-N 3.25Å; Y112-A115 WeakPolarHBondContact O-CB 3.34Å; Y112-A115 PolarHBondContact O-N 3.12Å; Y112-A115 VanDerWaalsContact O-N 3.16Å; Y112-L116 VanDerWaalsContact O-CG 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.31Å; Y112-L116 PolarHBondContact O-N 3.01Å; Y112-N128 HydrophobicContact CD1-CB 4.05Å; Y112-N128 HydrophobicContact CE1-CB 3.55Å; Y112-N128 HydrophobicContact CE2-CB 4.17Å; Y112-L129 HydrophobicContact CG-CB 4.49Å; Y112-A132 HydrophobicContact CD2-CB 4.28Å; Y112-A132 HydrophobicContact CE2-CB 3.97Å
113R95.9Very high94Very high109 Ų10957.6 Ų57.641%0.41128%0.283SS..Hα-helixtrans-59.8-37.9174.5-75.8176.3176.2161.30.9111.2I109 E110 L116 R117 L129I109-R113 HydrophobicContact CG2-CG 4.41Å; I109-R113 WeakPolarHBondContact O-CB 3.47Å; I109-R113 VanDerWaalsContact O-CG 3.32Å; I109-R113 WeakPolarHBondContact O-CG 3.38Å; I109-R113 PolarHBondContact O-N 2.65Å; E110-R113 PolarHBondContact O-N 3.44Å; R113-L116 PolarHBondContact O-N 3.46Å; R113-R117 WeakPolarHBondContact O-CG 3.24Å; R113-R117 PolarHBondContact O-N 2.93Å; R113-L129 HydrophobicContact CG-CD1 4.22Å; R113-L129 HydrophobicContact CG-CD2 4.24Å
114H95.2Very high94Very high60 Ų6059.6 Ų59.628%0.27828%0.281SS..Hα-helixtrans-67.1-42.9175.5-159.6-16.9000112.2Y92 E110 H111 Y112 L116 R117 L118Y92-H114 HydrophobicContact CD1-CB 4.4Å; Y92-H114 AromaticContact CE1-CD2 3.81Å; E110-H114 WeakPolarHBondContact O-CB 3.41Å; E110-H114 PolarHBondContact O-N 3.1Å; H111-H114 PolarHBondContact O-N 3.2Å; Y112-H114 PolarHBondContact O-N 3.25Å; H114-L116 VanDerWaalsContact C-N 3.29Å; H114-L116 PolarHBondContact O-N 2.85Å; H114-R117 PolarHBondContact O-N 2.74Å; H114-L118 WeakPolarHBondContact O-CG 3.4Å; H114-L118 PolarHBondContact O-N 3.39Å
115A95Very high94Very high0 Ų056.6 Ų56.60%027%0.267CS..Hα-helixtrans-56.7-44.617400000111.3A89 H111 Y112 L118 K119 F122A89-A115 HydrophobicContact CB-CB 4.37Å; A89-A115 WeakPolarHBondContact CB-O 3.49Å; A89-A115 WeakPolarHBondContact O-CB 3.33Å; H111-A115 PolarHBondContact O-N 2.64Å; Y112-A115 WeakPolarHBondContact O-CB 3.34Å; Y112-A115 PolarHBondContact O-N 3.12Å; Y112-A115 VanDerWaalsContact O-N 3.16Å; A115-L118 PolarHBondContact O-N 3.05Å; A115-K119 PolarHBondContact O-N 3.13Å; A115-F122 HydrophobicContact CB-CD1 4.28Å; A115-F122 HydrophobicContact CB-CE1 4.4Å
116L94.7Very high94.2Very high15 Ų1556 Ų568%0.07926%0.262CS..Hα-helixtrans-69.2-31179.2-68170.1000113.4Y112 R113 H114 L118 K119 P120 F122 Y126 L129Y112-L116 VanDerWaalsContact O-CG 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.31Å; Y112-L116 PolarHBondContact O-N 3.01Å; R113-L116 PolarHBondContact O-N 3.46Å; H114-L116 VanDerWaalsContact C-N 3.29Å; H114-L116 PolarHBondContact O-N 2.85Å; L116-L118 VanDerWaalsContact C-N 3.29Å; L116-L118 PolarHBondContact O-N 3.25Å; L116-K119 CarbonylContact O-C 3.55Å; L116-K119 VanDerWaalsContact O-C 3.32Å; L116-P120 VanDerWaalsContact O-CA 3.28Å; L116-P120 WeakPolarHBondContact O-CA 3.44Å; L116-F122 HydrophobicContact CD2-CB 4.21Å; L116-F122 WeakPolarHBondContact CD2-O 3.31Å; L116-Y126 HydrophobicContact CD1-CD1 3.61Å; L116-Y126 HydrophobicContact CD1-CE1 3.73Å; L116-Y126 HydrophobicContact CD1-CG 4.14Å; L116-Y126 HydrophobicContact CD2-CD1 3.99Å; L116-Y126 HydrophobicContact CD2-CD2 3.64Å; L116-Y126 HydrophobicContact CD2-CE1 3.93Å; L116-Y126 HydrophobicContact CD2-CE2 3.59Å; L116-Y126 HydrophobicContact CD2-CG 3.83Å; L116-Y126 HydrophobicContact CG-CD1 4.43Å; L116-Y126 HydrophobicContact CG-CE1 4.34Å; L116-L129 HydrophobicContact CD1-CB 4.39Å; L116-L129 HydrophobicContact CD1-CD2 3.62Å
117R95Very high94.3Very high168 Ų16852.6 Ų52.663%0.63425%0.247SC*.Hα-helixtrans-65.3-34170.7-76.5-170.3-61.5-101.71.7112.5R113 H114R113-R117 WeakPolarHBondContact O-CG 3.24Å; R113-R117 PolarHBondContact O-N 2.93Å; H114-R117 PolarHBondContact O-N 2.74Å
118L93.4Very high94.3Very high53 Ų5350.8 Ų50.828%0.27724%0.24SC..Hα-helixtrans-79.3-38.4179.4-66.7172.9000111.9L87 A89 Y92 H114 A115 L116L87-L118 HydrophobicContact CD2-CD2 3.76Å; A89-L118 HydrophobicContact CB-CB 4.1Å; Y92-L118 HydrophobicContact CD2-CD1 3.57Å; Y92-L118 HydrophobicContact CE2-CD1 3.43Å; Y92-L118 VanDerWaalsContact CE2-CD1 3.43Å; H114-L118 WeakPolarHBondContact O-CG 3.4Å; H114-L118 PolarHBondContact O-N 3.39Å; A115-L118 PolarHBondContact O-N 3.05Å; L116-L118 VanDerWaalsContact C-N 3.29Å; L116-L118 PolarHBondContact O-N 3.25Å
119K93.6Very high94.4Very high68 Ų6851.4 Ų51.430%0.29624%0.243SC..  trans-134.587.1-178.6-171.5178.9-177-1750109.7A89 E90 A115 L116 D121 F122A89-K119 HydrophobicContact CB-CB 3.48Å; A89-K119 VanDerWaalsContact CB-CB 3.48Å; A89-K119 HydrophobicContact CB-CD 4.18Å; A89-K119 HydrophobicContact CB-CG 4.49Å; E90-K119 IonicContact OE1-NZ 3.59Å; E90-K119 PolarHBondContact OE1-NZ 2.97Å; A115-K119 PolarHBondContact O-N 3.13Å; L116-K119 CarbonylContact O-C 3.55Å; L116-K119 VanDerWaalsContact O-C 3.32Å; K119-D121 WeakPolarHBondContact CG-OD1 3.4Å; K119-D121 PolarHBondContact O-N 3.5Å; K119-F122 HydrophobicContact CB-CB 4.08Å; K119-F122 HydrophobicContact CD-CB 3.97Å; K119-F122 HydrophobicContact CD-CG 4.24Å; K119-F122 HydrophobicContact CG-CB 3.9Å; K119-F122 WeakPolarHBondContact O-CB 3.19Å; K119-F122 PolarHBondContact O-N 3.43Å; K119-F122 VanDerWaalsContact O-N 3.1Å
120P93.1Very high94.4Very high66 Ų6651.2 Ų51.243%0.42924%0.242SC..THydrogen-bonded Turntrans-61.7-25.1-175.8-27.536.5000114.8L116 F122 Y126 Y152L116-P120 VanDerWaalsContact O-CA 3.28Å; L116-P120 WeakPolarHBondContact O-CA 3.44Å; P120-F122 VanDerWaalsContact C-N 3.3Å; P120-Y126 WeakPolarHBondContact O-CE2 3.29Å; P120-Y126 PolarHBondContact O-OH 3.05Å; P120-Y152 WeakPolarHBondContact O-CE2 3.39Å; P120-Y152 PolarHBondContact O-OH 2.88Å; P120-Y152 VanDerWaalsContact O-OH 3.12Å
121D91.9Very high94.2Very high91 Ų9147.1 Ų47.149%0.48723%0.229SC..THydrogen-bonded Turntrans-87.912.5177.465.3-25.2000113.6K119 I123 Y152K119-D121 WeakPolarHBondContact CG-OD1 3.4Å; K119-D121 PolarHBondContact O-N 3.5Å; D121-I123 PolarHBondContact O-N 2.93Å; D121-Y152 HydrophobicContact CB-CD1 3.78Å; D121-Y152 HydrophobicContact CB-CE1 3.68Å
122F93.3Very high94.1Very high21 Ų2145.2 Ų45.29%0.09222%0.22CC..  trans-79.283.7-178.8-169.5-163.4000112.7A89 E90 A115 L116 K119 P120 D124 G125 Y126A89-F122 HydrophobicContact CB-CD1 4.21Å; A89-F122 HydrophobicContact CB-CE1 4.49Å; E90-F122 HydrophobicContact CG-CZ 4.27Å; A115-F122 HydrophobicContact CB-CD1 4.28Å; A115-F122 HydrophobicContact CB-CE1 4.4Å; L116-F122 HydrophobicContact CD2-CB 4.21Å; L116-F122 WeakPolarHBondContact CD2-O 3.31Å; K119-F122 HydrophobicContact CB-CB 4.08Å; K119-F122 HydrophobicContact CD-CB 3.97Å; K119-F122 HydrophobicContact CD-CG 4.24Å; K119-F122 HydrophobicContact CG-CB 3.9Å; K119-F122 WeakPolarHBondContact O-CB 3.19Å; K119-F122 PolarHBondContact O-N 3.43Å; K119-F122 VanDerWaalsContact O-N 3.1Å; P120-F122 VanDerWaalsContact C-N 3.3Å; F122-D124 HydrophobicContact CD2-CB 4.34Å; F122-D124 HydrophobicContact CE2-CB 3.85Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; F122-D124 PolarHBondContact O-N 2.58Å; F122-G125 WeakPolarHBondContact O-CA 3.41Å; F122-G125 PolarHBondContact O-N 3.45Å; F122-Y126 PolarHBondContact O-N 2.96Å
123I92.4Very high94.1Very high42 Ų4245.4 Ų45.422%0.21522%0.221CC..Hα-helixtrans-49.7-52.1-178.3-65.9165.9000112.9D121 G125 Y126 I127 N153 L156D121-I123 PolarHBondContact O-N 2.93Å; I123-G125 PolarHBondContact O-N 3.36Å; I123-Y126 PolarHBondContact O-N 3.23Å; I123-I127 HydrophobicContact CG2-CD1 3.88Å; I123-I127 HydrophobicContact CG2-CG1 4.47Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-N153 HydrophobicContact CD1-CB 3.57Å; I123-L156 HydrophobicContact CG2-CD1 3.51Å
124D89.4Confident93.9Very high97 Ų9742.8 Ų42.852%0.51922%0.217SC..Hα-helixtrans-61.1-28.4179.9-65.5-30.1000112.1F122 N128F122-D124 HydrophobicContact CD2-CB 4.34Å; F122-D124 HydrophobicContact CE2-CB 3.85Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; F122-D124 PolarHBondContact O-N 2.58Å; D124-N128 VanDerWaalsContact O-CB 3.32Å; D124-N128 WeakPolarHBondContact O-CB 3.41Å; D124-N128 PolarHBondContact O-N 3.16Å; D124-N128 PolarHBondContact O-ND2 2.81Å
125G93.3Very high93.7Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-63.3-43.7172.900000112.2F122 I123 L129F122-G125 WeakPolarHBondContact O-CA 3.41Å; F122-G125 PolarHBondContact O-N 3.45Å; I123-G125 PolarHBondContact O-N 3.36Å; G125-L129 VanDerWaalsContact O-CB 3.22Å; G125-L129 WeakPolarHBondContact O-CB 3.42Å; G125-L129 PolarHBondContact O-N 3.22Å
126Y96.6Very high93.5Very high32 Ų3245 Ų4513%0.12525%0.246CC..Hα-helixtrans-69-41.4176.5-72.3-70.2000112.5L116 P120 F122 I123 L129 A130 A145 S148 Y152L116-Y126 HydrophobicContact CD1-CD1 3.61Å; L116-Y126 HydrophobicContact CD1-CE1 3.73Å; L116-Y126 HydrophobicContact CD1-CG 4.14Å; L116-Y126 HydrophobicContact CD2-CD1 3.99Å; L116-Y126 HydrophobicContact CD2-CD2 3.64Å; L116-Y126 HydrophobicContact CD2-CE1 3.93Å; L116-Y126 HydrophobicContact CD2-CE2 3.59Å; L116-Y126 HydrophobicContact CD2-CG 3.83Å; L116-Y126 HydrophobicContact CG-CD1 4.43Å; L116-Y126 HydrophobicContact CG-CE1 4.34Å; P120-Y126 WeakPolarHBondContact O-CE2 3.29Å; P120-Y126 PolarHBondContact O-OH 3.05Å; F122-Y126 PolarHBondContact O-N 2.96Å; I123-Y126 PolarHBondContact O-N 3.23Å; Y126-L129 PolarHBondContact O-N 3.27Å; Y126-A130 WeakPolarHBondContact O-CB 3.2Å; Y126-A130 PolarHBondContact O-N 3.23Å; Y126-A145 WeakPolarHBondContact CB-O 3.41Å; Y126-S148 VanDerWaalsContact CE1-CB 3.45Å; Y126-Y152 HydrophobicContact CD2-CD2 4.38Å; Y126-Y152 AromaticContact CE2-CD2 3.79Å; Y126-Y152 HydrophobicContact CE2-CD2 3.79Å; Y126-Y152 AromaticContact CE2-CE2 3.58Å; Y126-Y152 HydrophobicContact CE2-CE2 3.58Å
127I94.8Very high93.2Very high44 Ų4446.7 Ų46.723%0.22627%0.266CS..Hα-helixtrans-62.2-45.9178.2-63.4170000110.2I123 A130 A131 A149 L156 V159I123-I127 HydrophobicContact CG2-CD1 3.88Å; I123-I127 HydrophobicContact CG2-CG1 4.47Å; I123-I127 PolarHBondContact O-N 2.95Å; I127-A130 PolarHBondContact O-N 3.33Å; I127-A131 PolarHBondContact O-N 2.8Å; I127-A149 HydrophobicContact CG1-CB 4.19Å; I127-L156 HydrophobicContact CD1-CD1 4.44Å; I127-V159 HydrophobicContact CD1-CG2 3.61Å; I127-V159 HydrophobicContact CG1-CG1 4.43Å; I127-V159 HydrophobicContact CG1-CG2 3.92Å
128N94Very high93.1Very high35 Ų3541.9 Ų41.919%0.18725%0.253CS..Hα-helixtrans-67.6-37.9177.8-75.8-49.7000112.5Y112 D124 A131 A132Y112-N128 HydrophobicContact CD1-CB 4.05Å; Y112-N128 HydrophobicContact CE1-CB 3.55Å; Y112-N128 HydrophobicContact CE2-CB 4.17Å; D124-N128 VanDerWaalsContact O-CB 3.32Å; D124-N128 WeakPolarHBondContact O-CB 3.41Å; D124-N128 PolarHBondContact O-N 3.16Å; D124-N128 PolarHBondContact O-ND2 2.81Å; N128-A131 PolarHBondContact O-N 3.45Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 2.97Å
129L96.5Very high93.1Very high12 Ų1242.9 Ų42.96%0.06326%0.257CS..Hα-helixtrans-60.5-46.6172.4175.961.6000111.1I109 Y112 R113 L116 G125 Y126 A131 A132 L133 A145I109-L129 HydrophobicContact CB-CD1 4.35Å; I109-L129 HydrophobicContact CG1-CD1 4.29Å; I109-L129 HydrophobicContact CG2-CD1 3.91Å; Y112-L129 HydrophobicContact CG-CB 4.49Å; R113-L129 HydrophobicContact CG-CD1 4.22Å; R113-L129 HydrophobicContact CG-CD2 4.24Å; L116-L129 HydrophobicContact CD1-CB 4.39Å; L116-L129 HydrophobicContact CD1-CD2 3.62Å; G125-L129 VanDerWaalsContact O-CB 3.22Å; G125-L129 WeakPolarHBondContact O-CB 3.42Å; G125-L129 PolarHBondContact O-N 3.22Å; Y126-L129 PolarHBondContact O-N 3.27Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-A132 PolarHBondContact O-N 2.82Å; L129-L133 HydrophobicContact CD1-CD1 3.79Å; L129-L133 HydrophobicContact CD1-CG 3.94Å; L129-L133 HydrophobicContact CD2-CD1 4.35Å; L129-L133 HydrophobicContact CG-CD1 3.68Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.5Å; L129-L133 PolarHBondContact O-N 2.6Å; L129-A145 HydrophobicContact CD2-CB 4.2Å; L129-A145 HydrophobicContact CG-CB 4.19Å
130A95.4Very high93Very high0 Ų043.7 Ų43.70%026%0.262CS..Hα-helixtrans-59.6-47178.500000111.4Y126 I127 A132 L133 V134 A145 Y146Y126-A130 WeakPolarHBondContact O-CB 3.2Å; Y126-A130 PolarHBondContact O-N 3.23Å; I127-A130 PolarHBondContact O-N 3.33Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 2.77Å; A130-L133 PolarHBondContact O-N 3.14Å; A130-V134 WeakPolarHBondContact O-CG2 3.47Å; A130-V134 PolarHBondContact O-N 2.8Å; A130-A145 HydrophobicContact CB-CB 3.77Å; A130-Y146 HydrophobicContact CB-CD1 3.57Å; A130-Y146 HydrophobicContact CB-CD2 3.84Å; A130-Y146 HydrophobicContact CB-CE1 3.48Å; A130-Y146 VanDerWaalsContact CB-CE1 3.48Å; A130-Y146 HydrophobicContact CB-CE2 3.72Å; A130-Y146 HydrophobicContact CB-CG 3.77Å
131A93Very high93.1Very high36 Ų3641.1 Ų41.130%0.29825%0.248SC..Hα-helixtrans-60-41176.700000112.6I127 N128 L129 A135I127-A131 PolarHBondContact O-N 2.8Å; N128-A131 PolarHBondContact O-N 3.45Å; L129-A131 PolarHBondContact O-N 2.95Å; A131-A135 PolarHBondContact O-N 3.01Å; A131-A135 VanDerWaalsContact O-N 3.13Å
132A93.7Very high93.3Very high0 Ų036.8 Ų36.80%023%0.225CC..Hα-helixtrans-68.6-37.2176.300000112.7K100 I109 Y112 N128 L129 A130 A135 A136K100-A132 HydrophobicContact CD-CB 4.34Å; I109-A132 HydrophobicContact CG1-CB 3.96Å; Y112-A132 HydrophobicContact CD2-CB 4.28Å; Y112-A132 HydrophobicContact CE2-CB 3.97Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 2.97Å; L129-A132 PolarHBondContact O-N 2.82Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 2.77Å; A132-A135 PolarHBondContact O-N 2.83Å; A132-A136 WeakPolarHBondContact O-CB 3.4Å; A132-A136 PolarHBondContact O-N 2.93Å
133L95.5Very high93.4Very high5 Ų536.4 Ų36.43%0.02622%0.224CC..Hα-helixtrans-67.5-41176.8-72.2168.6000112I109 L129 A130 A135 A136 G137 D138 G141 A142 A145I109-L133 HydrophobicContact CD1-CD2 3.79Å; I109-L133 HydrophobicContact CD1-CG 4.43Å; I109-L133 HydrophobicContact CG1-CD2 4.16Å; I109-L133 HydrophobicContact CG1-CG 4.45Å; I109-L133 HydrophobicContact CG2-CD2 4.29Å; L129-L133 HydrophobicContact CD1-CD1 3.79Å; L129-L133 HydrophobicContact CD1-CG 3.94Å; L129-L133 HydrophobicContact CD2-CD1 4.35Å; L129-L133 HydrophobicContact CG-CD1 3.68Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.5Å; L129-L133 PolarHBondContact O-N 2.6Å; A130-L133 PolarHBondContact O-N 3.14Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 3.21Å; L133-A136 CarbonylContact O-C 3.32Å; L133-A136 PolarHBondContact O-N 3.4Å; L133-A136 VanDerWaalsContact O-N 3.16Å; L133-G137 PolarHBondContact O-N 2.88Å; L133-D138 HydrophobicContact CB-CB 4.44Å; L133-D138 HydrophobicContact CD2-CB 3.99Å; L133-D138 PolarHBondContact O-N 2.81Å; L133-G141 VanDerWaalsContact CD1-C 3.45Å; L133-G141 WeakPolarHBondContact CD1-O 3.43Å; L133-A142 HydrophobicContact CB-CB 3.85Å; L133-A145 HydrophobicContact CD1-CB 4.33Å
134V92.3Very high93.5Very high54 Ų5440.5 Ų40.533%0.32724%0.242SC..Hα-helixtrans-59.1-46.8171.71730000110.5A130 A136 G137 A142 L166A130-V134 WeakPolarHBondContact O-CG2 3.47Å; A130-V134 PolarHBondContact O-N 2.8Å; V134-A136 PolarHBondContact O-N 2.91Å; V134-G137 PolarHBondContact O-N 2.97Å; V134-G137 VanDerWaalsContact O-N 3.1Å; V134-A142 HydrophobicContact CG2-CB 3.55Å; V134-L166 HydrophobicContact CG2-CD1 4.3Å; V134-L166 HydrophobicContact CG2-CD2 4.23Å
135A90.2Very high93.8Very high64 Ų6436.1 Ų36.153%0.52922%0.22SC..Hα-helixtrans-63.4-29.8177.600000113L105 A131 A132 L133L105-A135 HydrophobicContact CD1-CB 4.01Å; L105-A135 WeakPolarHBondContact CD1-O 3.33Å; L105-A135 HydrophobicContact CD2-CB 3.99Å; A131-A135 PolarHBondContact O-N 3.01Å; A131-A135 VanDerWaalsContact O-N 3.13Å; A132-A135 PolarHBondContact O-N 2.83Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 3.21Å
136A90.7Very high93.9Very high43 Ų4337.1 Ų37.136%0.35522%0.224SC..Hα-helixtrans-84.5-6.3176.500000113.9L105 I109 A132 L133 V134L105-A136 HydrophobicContact CB-CB 4.4Å; L105-A136 HydrophobicContact CD1-CB 4.19Å; I109-A136 HydrophobicContact CD1-CB 3.96Å; A132-A136 WeakPolarHBondContact O-CB 3.4Å; A132-A136 PolarHBondContact O-N 2.93Å; L133-A136 CarbonylContact O-C 3.32Å; L133-A136 PolarHBondContact O-N 3.4Å; L133-A136 VanDerWaalsContact O-N 3.16Å; V134-A136 PolarHBondContact O-N 2.91Å
137G90.1Very high93.9Very high49 Ų4938.3 Ų38.351%0.50523%0.234SC..THydrogen-bonded Turntrans844.3-178.300000115.5L133 V134 M139L133-G137 PolarHBondContact O-N 2.88Å; V134-G137 PolarHBondContact O-N 2.97Å; V134-G137 VanDerWaalsContact O-N 3.1Å; G137-M139 PolarHBondContact O-N 3.19Å; G137-M139 VanDerWaalsContact O-N 3.14Å
138D93Very high93.9Very high68 Ų6837.7 Ų37.736%0.36423%0.233SC..  trans-85.580.3175-176.54.8000110.5L133 G141 A142L133-D138 HydrophobicContact CB-CB 4.44Å; L133-D138 HydrophobicContact CD2-CB 3.99Å; L133-D138 PolarHBondContact O-N 2.81Å; D138-G141 PolarHBondContact OD1-N 3.28Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 3.41Å; D138-A142 VanDerWaalsContact O-N 3.08Å
139M92Very high93.9Very high73 Ų7336 Ų3636%0.3622%0.224SC..Hα-helixtrans-67.7-38.6-174-57.6-58.4-179.300112.9G137 A142 V143 L166 L170G137-M139 PolarHBondContact O-N 3.19Å; G137-M139 VanDerWaalsContact O-N 3.14Å; M139-A142 PolarHBondContact O-N 2.79Å; M139-V143 WeakPolarHBondContact O-CG2 3.47Å; M139-V143 PolarHBondContact O-N 2.86Å; M139-L166 HydrophobicContact CB-CD1 4.2Å; M139-L166 HydrophobicContact CG-CD1 4.4Å; M139-L166 HydrophobicContact SD-CD1 3.6Å; M139-L166 VanDerWaalsContact SD-CD1 3.6Å; M139-L170 HydrophobicContact CB-CD1 4.23Å; M139-L170 HydrophobicContact CB-CD2 3.86Å; M139-L170 HydrophobicContact CB-CG 4.39Å; M139-L170 HydrophobicContact CG-CD2 4.31Å
140E92.9Very high93.8Very high85 Ų8535.9 Ų35.940%0.39722%0.224SC..Hα-helixtrans-73.9-37.2179.2-77.3-65.6163.900111.8A142 V143 Q144 R172E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.05Å; E140-V143 PolarHBondContact O-N 3.44Å; E140-Q144 WeakPolarHBondContact O-CG 3.39Å; E140-Q144 PolarHBondContact O-N 2.76Å; E140-R172 IonicContact OE1-NH1 3.88Å; E140-R172 PolarHBondContact OE1-NH1 2.92Å; E140-R172 IonicContact OE2-NH1 2.77Å; E140-R172 PolarHBondContact OE2-NH1 2.77Å
141G94Very high93.7Very high13 Ų1342.5 Ų42.513%0.13426%0.255CS..Hα-helixtrans-59.3-40.9170.400000111.9L133 D138 Q144 A145L133-G141 VanDerWaalsContact CD1-C 3.45Å; L133-G141 WeakPolarHBondContact CD1-O 3.43Å; D138-G141 PolarHBondContact OD1-N 3.28Å; G141-Q144 PolarHBondContact O-N 3.41Å; G141-A145 PolarHBondContact O-N 2.96Å
142A95.5Very high93.7Very high0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-65.2-40.7176.200000112.7L133 V134 D138 M139 E140 Q144 A145 Y146 L166L133-A142 HydrophobicContact CB-CB 3.85Å; V134-A142 HydrophobicContact CG2-CB 3.55Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 3.41Å; D138-A142 VanDerWaalsContact O-N 3.08Å; M139-A142 PolarHBondContact O-N 2.79Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.05Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.27Å; A142-A145 PolarHBondContact O-N 3.13Å; A142-Y146 WeakPolarHBondContact O-CD2 3.47Å; A142-Y146 PolarHBondContact O-N 3.38Å; A142-L166 HydrophobicContact CB-CD2 3.68Å
143V95.7Very high93.6Very high12 Ų1248.4 Ų48.47%0.07327%0.274CS..Hα-helixtrans-56.2-49.1172.6166.10000110.4M139 E140 A145 Y146 V147 L163 L166 L167 L170M139-V143 WeakPolarHBondContact O-CG2 3.47Å; M139-V143 PolarHBondContact O-N 2.86Å; E140-V143 PolarHBondContact O-N 3.44Å; V143-A145 PolarHBondContact O-N 3.45Å; V143-Y146 PolarHBondContact O-N 2.91Å; V143-V147 HydrophobicContact CG1-CG2 4.36Å; V143-V147 VanDerWaalsContact O-CG2 3.29Å; V143-V147 WeakPolarHBondContact O-CG2 3.41Å; V143-V147 PolarHBondContact O-N 3.25Å; V143-L163 HydrophobicContact CB-CD1 4.24Å; V143-L163 HydrophobicContact CG1-CD1 4Å; V143-L163 HydrophobicContact CG2-CD1 4.1Å; V143-L166 HydrophobicContact CG2-CD2 3.62Å; V143-L166 HydrophobicContact CG2-CG 3.99Å; V143-L167 HydrophobicContact CG1-CD2 4.42Å; V143-L167 HydrophobicContact CG2-CD2 4.12Å; V143-L170 HydrophobicContact CG2-CD1 4.11Å
144Q95.4Very high93.4Very high129 Ų12951.3 Ų51.360%0.60329%0.293SS*.Hα-helixtrans-60.9-43.9179-69.4178.38.500112E140 G141 A142 Y146 V147 S148E140-Q144 WeakPolarHBondContact O-CG 3.39Å; E140-Q144 PolarHBondContact O-N 2.76Å; G141-Q144 PolarHBondContact O-N 3.41Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.27Å; Q144-Y146 PolarHBondContact O-N 3.41Å; Q144-V147 PolarHBondContact O-N 2.74Å; Q144-S148 PolarHBondContact O-N 3.45Å; Q144-S148 PolarHBondContact O-OG 2.57Å
145A95.2Very high93.3Very high5 Ų553.9 Ų53.94%0.04131%0.305CS..Hα-helixtrans-61.3-44.517800000112Y126 L129 A130 L133 G141 A142 V143 S148 A149Y126-A145 WeakPolarHBondContact CB-O 3.41Å; L129-A145 HydrophobicContact CD2-CB 4.2Å; L129-A145 HydrophobicContact CG-CB 4.19Å; A130-A145 HydrophobicContact CB-CB 3.77Å; L133-A145 HydrophobicContact CD1-CB 4.33Å; G141-A145 PolarHBondContact O-N 2.96Å; A142-A145 PolarHBondContact O-N 3.13Å; V143-A145 PolarHBondContact O-N 3.45Å; A145-S148 PolarHBondContact O-N 2.76Å; A145-A149 PolarHBondContact O-N 2.85Å
146Y96.3Very high93.4Very high21 Ų2153 Ų538%0.08229%0.291CS..Hα-helixtrans-64.8-41.3174.7-76.6-46.9000113.1A130 A142 V143 Q144 S148 A149 L150 V159 D162 L163 L166A130-Y146 HydrophobicContact CB-CD1 3.57Å; A130-Y146 HydrophobicContact CB-CD2 3.84Å; A130-Y146 HydrophobicContact CB-CE1 3.48Å; A130-Y146 VanDerWaalsContact CB-CE1 3.48Å; A130-Y146 HydrophobicContact CB-CE2 3.72Å; A130-Y146 HydrophobicContact CB-CG 3.77Å; A142-Y146 WeakPolarHBondContact O-CD2 3.47Å; A142-Y146 PolarHBondContact O-N 3.38Å; V143-Y146 PolarHBondContact O-N 2.91Å; Q144-Y146 PolarHBondContact O-N 3.41Å; Y146-S148 VanDerWaalsContact C-N 3.32Å; Y146-S148 PolarHBondContact O-N 3.1Å; Y146-A149 WeakPolarHBondContact O-CB 3.35Å; Y146-A149 PolarHBondContact O-N 3.46Å; Y146-L150 WeakPolarHBondContact O-CG 3.32Å; Y146-L150 PolarHBondContact O-N 3.47Å; Y146-V159 HydrophobicContact CD1-CG1 3.45Å; Y146-V159 VanDerWaalsContact CD1-CG1 3.45Å; Y146-V159 HydrophobicContact CE1-CG1 4Å; Y146-V159 HydrophobicContact CG-CG1 4.3Å; Y146-D162 HydrophobicContact CE1-CB 4.49Å; Y146-D162 HydrophobicContact CE2-CB 4.44Å; Y146-L163 HydrophobicContact CD2-CB 4.37Å; Y146-L163 HydrophobicContact CG-CB 4.4Å; Y146-L166 HydrophobicContact CD2-CD2 4.25Å; Y146-L166 HydrophobicContact CE2-CD2 4.32Å
147V95.3Very high93.5Very high57 Ų5754.3 Ų54.335%0.34529%0.287SS..Hα-helixtrans-60.6-43.9175.7169.50000110.5V143 Q144 L150 Q151 L163V143-V147 HydrophobicContact CG1-CG2 4.36Å; V143-V147 VanDerWaalsContact O-CG2 3.29Å; V143-V147 WeakPolarHBondContact O-CG2 3.41Å; V143-V147 PolarHBondContact O-N 3.25Å; Q144-V147 PolarHBondContact O-N 2.74Å; V147-L150 PolarHBondContact O-N 3.27Å; V147-Q151 WeakPolarHBondContact O-CG 3.36Å; V147-Q151 PolarHBondContact O-N 3.11Å; V147-L163 HydrophobicContact CG2-CD2 3.91Å
148S95Very high93.6Very high30 Ų3054.8 Ų54.821%0.2128%0.282CS..Hα-helixtrans-61.8-42.4175-66.60000112.3Y126 Q144 A145 Y146 L150 Q151 Y152Y126-S148 VanDerWaalsContact CE1-CB 3.45Å; Q144-S148 PolarHBondContact O-N 3.45Å; Q144-S148 PolarHBondContact O-OG 2.57Å; A145-S148 PolarHBondContact O-N 2.76Å; Y146-S148 VanDerWaalsContact C-N 3.32Å; Y146-S148 PolarHBondContact O-N 3.1Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.15Å; S148-Q151 WeakPolarHBondContact O-CB 3.44Å; S148-Q151 PolarHBondContact O-N 2.83Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.46Å; S148-Y152 PolarHBondContact O-N 3.48Å
149A94.4Very high93.6Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-57.2-43.5174.200000112I127 A145 Y146 Q151 Y152 N153 V159I127-A149 HydrophobicContact CG1-CB 4.19Å; A145-A149 PolarHBondContact O-N 2.85Å; Y146-A149 WeakPolarHBondContact O-CB 3.35Å; Y146-A149 PolarHBondContact O-N 3.46Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 3.24Å; A149-Y152 PolarHBondContact O-N 2.92Å; A149-N153 PolarHBondContact O-N 3.42Å; A149-N153 VanDerWaalsContact O-N 3.08Å; A149-V159 HydrophobicContact CB-CG1 4.38Å
150L93.7Very high93.8Very high10 Ų1050.5 Ų50.55%0.05226%0.258CS..Hα-helixtrans-74.3-19.6-180-66.8170.9000114Y146 V147 S148 N153 P154 L156 V159 R160 L163Y146-L150 WeakPolarHBondContact O-CG 3.32Å; Y146-L150 PolarHBondContact O-N 3.47Å; V147-L150 PolarHBondContact O-N 3.27Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.15Å; L150-N153 CarbonylContact O-C 3.58Å; L150-P154 WeakPolarHBondContact O-CA 3.32Å; L150-L156 HydrophobicContact CD2-CB 3.99Å; L150-V159 HydrophobicContact CD2-CB 4.26Å; L150-V159 HydrophobicContact CD2-CG1 4.26Å; L150-V159 HydrophobicContact CG-CG1 4.24Å; L150-R160 HydrophobicContact CD1-CB 3.91Å; L150-R160 HydrophobicContact CD1-CG 4.19Å; L150-R160 HydrophobicContact CD2-CB 4.01Å; L150-L163 HydrophobicContact CD1-CD2 3.84Å
151Q94.2Very high93.8Very high138 Ų13846.5 Ų46.565%0.64524%0.24SC*.Hα-helixtrans-69.8-38171.1-76.7173.3-9.800111.5V147 S148 A149V147-Q151 WeakPolarHBondContact O-CG 3.36Å; V147-Q151 PolarHBondContact O-N 3.11Å; S148-Q151 WeakPolarHBondContact O-CB 3.44Å; S148-Q151 PolarHBondContact O-N 2.83Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 3.24Å
152Y92.1Very high93.8Very high109 Ų10949.3 Ų49.343%0.42725%0.251SS..Hα-helixtrans-79.2-37.8177.5-72.4-73.4000112.9P120 D121 Y126 S148 A149P120-Y152 WeakPolarHBondContact O-CE2 3.39Å; P120-Y152 PolarHBondContact O-OH 2.88Å; P120-Y152 VanDerWaalsContact O-OH 3.12Å; D121-Y152 HydrophobicContact CB-CD1 3.78Å; D121-Y152 HydrophobicContact CB-CE1 3.68Å; Y126-Y152 HydrophobicContact CD2-CD2 4.38Å; Y126-Y152 AromaticContact CE2-CD2 3.79Å; Y126-Y152 HydrophobicContact CE2-CD2 3.79Å; Y126-Y152 AromaticContact CE2-CE2 3.58Å; Y126-Y152 HydrophobicContact CE2-CE2 3.58Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.46Å; S148-Y152 PolarHBondContact O-N 3.48Å; A149-Y152 PolarHBondContact O-N 2.92Å
153N91.5Very high93.8Very high51 Ų5149.6 Ų49.627%0.27325%0.253SS..  trans-136.198.7172.4-175.2-6.1000111.2I123 A149 L150 D155 L156I123-N153 HydrophobicContact CD1-CB 3.57Å; A149-N153 PolarHBondContact O-N 3.42Å; A149-N153 VanDerWaalsContact O-N 3.08Å; L150-N153 CarbonylContact O-C 3.58Å; N153-D155 PolarHBondContact O-N 3.21Å; N153-D155 PolarHBondContact OD1-N 3.42Å; N153-L156 HydrophobicContact CB-CD1 3.88Å; N153-L156 HydrophobicContact CB-CG 3.96Å
154P91.1Very high93.8Very high67 Ų6749 Ų4944%0.43525%0.25SC..THydrogen-bonded Turntrans-64.8-17178.8-23.534.6000114.8L150 L156 R160L150-P154 WeakPolarHBondContact O-CA 3.32Å; P154-L156 VanDerWaalsContact C-N 3.34Å; P154-L156 PolarHBondContact O-N 2.99Å; P154-R160 PolarHBondContact O-NH1 3.05Å
155D91.1Very high93.7Very high108 Ų10845.2 Ų45.258%0.57823%0.233SC*.THydrogen-bonded Turntrans-89.34-172.4-62.1-33.9000113.7N153 Y157 T186N153-D155 PolarHBondContact O-N 3.21Å; N153-D155 PolarHBondContact OD1-N 3.42Å; D155-Y157 VanDerWaalsContact C-N 3.25Å; D155-Y157 PolarHBondContact O-N 2.99Å; D155-T186 HydrophobicContact CB-CG2 4.14Å; D155-T186 WeakPolarHBondContact O-CG2 3.23Å
156L92.8Very high93.6Very high44 Ų4445.7 Ų45.723%0.2324%0.235CC..  trans-75.871.9177.2-60.6171.9000111.7I123 I127 L150 N153 P154 C158 V159 R160I123-L156 HydrophobicContact CG2-CD1 3.51Å; I127-L156 HydrophobicContact CD1-CD1 4.44Å; L150-L156 HydrophobicContact CD2-CB 3.99Å; N153-L156 HydrophobicContact CB-CD1 3.88Å; N153-L156 HydrophobicContact CB-CG 3.96Å; P154-L156 VanDerWaalsContact C-N 3.34Å; P154-L156 PolarHBondContact O-N 2.99Å; L156-C158 VanDerWaalsContact C-N 3.3Å; L156-C158 PolarHBondContact O-N 2.8Å; L156-V159 HydrophobicContact CB-CB 3.93Å; L156-V159 HydrophobicContact CB-CG2 3.88Å; L156-V159 HydrophobicContact CD1-CG2 4.28Å; L156-V159 WeakPolarHBondContact O-CB 3.33Å; L156-V159 PolarHBondContact O-N 3.24Å; L156-V159 VanDerWaalsContact O-N 3.12Å; L156-R160 PolarHBondContact O-N 3.26Å
157Y92.9Very high93.5Very high72 Ų7245 Ų4528%0.28223%0.233SC..Hα-helixtrans-58.3-35-175.868.3-90000113.8D155 R160 S161 T186 Q187 F190D155-Y157 VanDerWaalsContact C-N 3.25Å; D155-Y157 PolarHBondContact O-N 2.99Å; Y157-R160 PolarHBondContact O-N 3.07Å; Y157-S161 PolarHBondContact O-N 2.78Å; Y157-T186 HydrophobicContact CD1-CG2 4.42Å; Y157-Q187 HydrophobicContact CD1-CB 3.75Å; Y157-Q187 HydrophobicContact CD1-CG 4.32Å; Y157-Q187 HydrophobicContact CD2-CB 3.87Å; Y157-Q187 HydrophobicContact CD2-CG 4.34Å; Y157-Q187 HydrophobicContact CE1-CB 4.01Å; Y157-Q187 HydrophobicContact CE1-CG 4.07Å; Y157-Q187 HydrophobicContact CE2-CB 4.13Å; Y157-Q187 HydrophobicContact CE2-CG 4.08Å; Y157-Q187 HydrophobicContact CG-CB 3.68Å; Y157-Q187 HydrophobicContact CG-CG 4.46Å; Y157-F190 HydrophobicContact CD2-CB 4.22Å; Y157-F190 AromaticContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD2 4.18Å; Y157-F190 HydrophobicContact CD2-CE1 4.1Å; Y157-F190 AromaticContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CZ 4.47Å; Y157-F190 HydrophobicContact CE2-CB 4.24Å; Y157-F190 HydrophobicContact CE2-CD1 4.18Å; Y157-F190 AromaticContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CE2 4.12Å; Y157-F190 AromaticContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CZ 4.47Å
158C91.8Very high93.3Very high59 Ų5945.3 Ų45.340%0.39923%0.229SC..Hα-helixtrans-61.6-48.8174.4-630000111.4L156 R160 S161 D162L156-C158 VanDerWaalsContact C-N 3.3Å; L156-C158 PolarHBondContact O-N 2.8Å; C158-R160 VanDerWaalsContact C-N 3.29Å; C158-R160 PolarHBondContact O-N 3.23Å; C158-S161 WeakPolarHBondContact O-CB 3.34Å; C158-S161 PolarHBondContact O-N 3.17Å; C158-S161 VanDerWaalsContact O-N 3.11Å; C158-D162 PolarHBondContact O-N 3.29Å
159V93.6Very high93Very high11 Ų1148 Ų487%0.06725%0.254CS..Hα-helixtrans-61.7-40.2178.2-179.80000110.7I127 Y146 A149 L150 L156 S161 D162 L163I127-V159 HydrophobicContact CD1-CG2 3.61Å; I127-V159 HydrophobicContact CG1-CG1 4.43Å; I127-V159 HydrophobicContact CG1-CG2 3.92Å; Y146-V159 HydrophobicContact CD1-CG1 3.45Å; Y146-V159 VanDerWaalsContact CD1-CG1 3.45Å; Y146-V159 HydrophobicContact CE1-CG1 4Å; Y146-V159 HydrophobicContact CG-CG1 4.3Å; A149-V159 HydrophobicContact CB-CG1 4.38Å; L150-V159 HydrophobicContact CD2-CB 4.26Å; L150-V159 HydrophobicContact CD2-CG1 4.26Å; L150-V159 HydrophobicContact CG-CG1 4.24Å; L156-V159 HydrophobicContact CB-CB 3.93Å; L156-V159 HydrophobicContact CB-CG2 3.88Å; L156-V159 HydrophobicContact CD1-CG2 4.28Å; L156-V159 WeakPolarHBondContact O-CB 3.33Å; L156-V159 PolarHBondContact O-N 3.24Å; L156-V159 VanDerWaalsContact O-N 3.12Å; V159-S161 VanDerWaalsContact C-N 3.34Å; V159-D162 PolarHBondContact O-N 2.96Å; V159-L163 PolarHBondContact O-N 2.85Å
160R95.6Very high92.8Very high40 Ų4051.3 Ų51.315%0.15127%0.271CS..Hα-helixtrans-66-36.3175.9-174.6171.3-97.1105.41.5112.6L150 P154 L156 Y157 C158 G164 C179 A183L150-R160 HydrophobicContact CD1-CB 3.91Å; L150-R160 HydrophobicContact CD1-CG 4.19Å; L150-R160 HydrophobicContact CD2-CB 4.01Å; P154-R160 PolarHBondContact O-NH1 3.05Å; L156-R160 PolarHBondContact O-N 3.26Å; Y157-R160 PolarHBondContact O-N 3.07Å; C158-R160 VanDerWaalsContact C-N 3.29Å; C158-R160 PolarHBondContact O-N 3.23Å; R160-G164 PolarHBondContact O-N 3.07Å; R160-C179 WeakPolarHBondContact CD-O 3.48Å; R160-C179 HydrophobicContact CG-CB 4.05Å; R160-C179 WeakPolarHBondContact CG-O 3.48Å; R160-A183 HydrophobicContact CB-CB 4.43Å; R160-A183 HydrophobicContact CG-CB 4.41Å
161S93.5Very high92.5Very high1 Ų153.4 Ų53.41%0.00730%0.295CS..Hα-helixtrans-68-39172.9-177.40000112.4Y157 C158 V159 L163 G164 N165Y157-S161 PolarHBondContact O-N 2.78Å; C158-S161 WeakPolarHBondContact O-CB 3.34Å; C158-S161 PolarHBondContact O-N 3.17Å; C158-S161 VanDerWaalsContact O-N 3.11Å; V159-S161 VanDerWaalsContact C-N 3.34Å; S161-L163 VanDerWaalsContact C-N 3.35Å; S161-G164 CarbonylContact O-C 3.13Å; S161-G164 WeakPolarHBondContact O-CA 3.49Å; S161-G164 PolarHBondContact O-N 3.4Å; S161-G164 VanDerWaalsContact O-N 3.15Å; S161-N165 PolarHBondContact O-N 3Å; S161-N165 PolarHBondContact O-ND2 2.9Å
162D93.2Very high92.4Very high71 Ų7150.4 Ų50.438%0.3828%0.278SS..Hα-helixtrans-64.9-39.6175.5-68.4-23.7000111.7Y146 C158 V159 G164 N165 L166Y146-D162 HydrophobicContact CE1-CB 4.49Å; Y146-D162 HydrophobicContact CE2-CB 4.44Å; C158-D162 PolarHBondContact O-N 3.29Å; V159-D162 PolarHBondContact O-N 2.96Å; D162-G164 VanDerWaalsContact C-N 3.33Å; D162-G164 PolarHBondContact O-N 2.79Å; D162-N165 WeakPolarHBondContact O-CB 3.48Å; D162-N165 PolarHBondContact O-N 3.15Å; D162-L166 PolarHBondContact O-N 2.68Å
163L96Very high92.4Very high7 Ų747.5 Ų47.54%0.03727%0.27CS..Hα-helixtrans-59.1-44.4169.317560.1000111.4V143 Y146 V147 L150 V159 S161 N165 L166 L167V143-L163 HydrophobicContact CB-CD1 4.24Å; V143-L163 HydrophobicContact CG1-CD1 4Å; V143-L163 HydrophobicContact CG2-CD1 4.1Å; Y146-L163 HydrophobicContact CD2-CB 4.37Å; Y146-L163 HydrophobicContact CG-CB 4.4Å; V147-L163 HydrophobicContact CG2-CD2 3.91Å; L150-L163 HydrophobicContact CD1-CD2 3.84Å; V159-L163 PolarHBondContact O-N 2.85Å; S161-L163 VanDerWaalsContact C-N 3.35Å; L163-N165 VanDerWaalsContact C-N 3.32Å; L163-N165 PolarHBondContact O-N 3.4Å; L163-L166 PolarHBondContact O-N 3.25Å; L163-L167 HydrophobicContact CD1-CD1 3.94Å; L163-L167 HydrophobicContact CD1-CG 4.08Å; L163-L167 HydrophobicContact CG-CD1 3.87Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3.29Å
164G94.8Very high92.4Very high0 Ų050.5 Ų50.50%028%0.282CS..Hα-helixtrans-59.5-41.2174.900000112.8R160 S161 D162 L167 K168 A176 Y180R160-G164 PolarHBondContact O-N 3.07Å; S161-G164 CarbonylContact O-C 3.13Å; S161-G164 WeakPolarHBondContact O-CA 3.49Å; S161-G164 PolarHBondContact O-N 3.4Å; S161-G164 VanDerWaalsContact O-N 3.15Å; D162-G164 VanDerWaalsContact C-N 3.33Å; D162-G164 PolarHBondContact O-N 2.79Å; G164-L167 PolarHBondContact O-N 3.1Å; G164-K168 WeakPolarHBondContact O-CB 3.4Å; G164-K168 PolarHBondContact O-N 3.26Å; G164-A176 WeakPolarHBondContact O-CB 3.4Å; G164-Y180 VanDerWaalsContact C-CZ 3.41Å; G164-Y180 PolarHBondContact O-OH 2.9Å
165N93Very high92.6Very high48 Ų4851.5 Ų51.526%0.25728%0.281SS..Hα-helixtrans-62.1-45.1176.9-73.2-31.2000111.2S161 D162 L163 K168 A169 Y180 N196S161-N165 PolarHBondContact O-N 3Å; S161-N165 PolarHBondContact O-ND2 2.9Å; D162-N165 WeakPolarHBondContact O-CB 3.48Å; D162-N165 PolarHBondContact O-N 3.15Å; L163-N165 VanDerWaalsContact C-N 3.32Å; L163-N165 PolarHBondContact O-N 3.4Å; N165-K168 PolarHBondContact O-N 3.32Å; N165-A169 PolarHBondContact O-N 3.28Å; N165-Y180 VanDerWaalsContact CA-OH 3.24Å; N165-Y180 WeakPolarHBondContact CA-OH 3.28Å; N165-Y180 PolarHBondContact N-OH 3.42Å; N165-Y180 VanDerWaalsContact N-OH 3.08Å; N165-Y180 PolarHBondContact OD1-OH 2.75Å; N165-N196 VanDerWaalsContact OD1-CG 3.3Å; N165-N196 PolarHBondContact OD1-ND2 2.87Å; N165-N196 PolarHBondContact OD1-OD1 2.8Å
166L93.6Very high92.8Very high16 Ų1646.3 Ų46.38%0.08425%0.253CS..Hα-helixtrans-63.8-45.7177.7-177.359.6000111.9V134 M139 A142 V143 Y146 D162 L163 K168 A169 L170V134-L166 HydrophobicContact CG2-CD1 4.3Å; V134-L166 HydrophobicContact CG2-CD2 4.23Å; M139-L166 HydrophobicContact CB-CD1 4.2Å; M139-L166 HydrophobicContact CG-CD1 4.4Å; M139-L166 HydrophobicContact SD-CD1 3.6Å; M139-L166 VanDerWaalsContact SD-CD1 3.6Å; A142-L166 HydrophobicContact CB-CD2 3.68Å; V143-L166 HydrophobicContact CG2-CD2 3.62Å; V143-L166 HydrophobicContact CG2-CG 3.99Å; Y146-L166 HydrophobicContact CD2-CD2 4.25Å; Y146-L166 HydrophobicContact CE2-CD2 4.32Å; D162-L166 PolarHBondContact O-N 2.68Å; L163-L166 PolarHBondContact O-N 3.25Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.35Å; L166-A169 WeakPolarHBondContact O-CB 3.31Å; L166-A169 PolarHBondContact O-N 2.95Å; L166-L170 WeakPolarHBondContact O-CG 3.22Å; L166-L170 PolarHBondContact O-N 2.87Å
167L94.3Very high92.8Very high5 Ų546.4 Ų46.43%0.02625%0.252CS..Hα-helixtrans-63.4-37.6176.9-71.6166.8000112.3V143 L163 G164 L170 G171 R172 E175 A176V143-L167 HydrophobicContact CG1-CD2 4.42Å; V143-L167 HydrophobicContact CG2-CD2 4.12Å; L163-L167 HydrophobicContact CD1-CD1 3.94Å; L163-L167 HydrophobicContact CD1-CG 4.08Å; L163-L167 HydrophobicContact CG-CD1 3.87Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3.29Å; G164-L167 PolarHBondContact O-N 3.1Å; L167-L170 CarbonylContact O-C 3.2Å; L167-L170 PolarHBondContact O-N 3.11Å; L167-G171 PolarHBondContact O-N 3.34Å; L167-R172 HydrophobicContact CB-CB 4.39Å; L167-R172 HydrophobicContact CD2-CB 4.2Å; L167-R172 PolarHBondContact O-N 3.18Å; L167-E175 HydrophobicContact CD1-CB 3.91Å; L167-E175 HydrophobicContact CD2-CB 4.41Å; L167-A176 HydrophobicContact CB-CB 3.94Å
168K91.2Very high92.9Very high64 Ų6445.7 Ų45.728%0.27826%0.26SS..Hα-helixtrans-62-44.4173.6-174.5-178.372.2-172.80110.9G164 N165 L166 L170 G171 L173 A176 N196 V200G164-K168 WeakPolarHBondContact O-CB 3.4Å; G164-K168 PolarHBondContact O-N 3.26Å; N165-K168 PolarHBondContact O-N 3.32Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.35Å; K168-L170 PolarHBondContact O-N 2.97Å; K168-G171 PolarHBondContact O-N 2.92Å; K168-L173 HydrophobicContact CG-CD2 4.24Å; K168-A176 HydrophobicContact CB-CB 4.05Å; K168-N196 PolarHBondContact NZ-OD1 3.21Å; K168-V200 HydrophobicContact CD-CG2 4.19Å; K168-V200 HydrophobicContact CG-CG2 4.48Å
169A88.8Confident93.1Very high87 Ų8743.5 Ų43.572%0.71925%0.246SC*.Hα-helixtrans-63.7-28.8176.600000112.9N165 L166 G171N165-A169 PolarHBondContact O-N 3.28Å; L166-A169 WeakPolarHBondContact O-CB 3.31Å; L166-A169 PolarHBondContact O-N 2.95Å; A169-G171 VanDerWaalsContact C-N 3.29Å
170L90.3Very high93.2Very high69 Ų6943 Ų4336%0.36124%0.243SC..THydrogen-bonded Turntrans-81.2-0.5172.7-68.6172.7000114.1M139 V143 L166 L167 K168 R172M139-L170 HydrophobicContact CB-CD1 4.23Å; M139-L170 HydrophobicContact CB-CD2 3.86Å; M139-L170 HydrophobicContact CB-CG 4.39Å; M139-L170 HydrophobicContact CG-CD2 4.31Å; V143-L170 HydrophobicContact CG2-CD1 4.11Å; L166-L170 WeakPolarHBondContact O-CG 3.22Å; L166-L170 PolarHBondContact O-N 2.87Å; L167-L170 CarbonylContact O-C 3.2Å; L167-L170 PolarHBondContact O-N 3.11Å; K168-L170 PolarHBondContact O-N 2.97Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 HydrophobicContact CB-CG 4.4Å; L170-R172 PolarHBondContact O-N 3.42Å
171G87.9Confident93.2Very high55 Ų5545 Ų4557%0.56726%0.256SS*.THydrogen-bonded Turntrans75.86.2-176.800000114.8L167 K168 A169 L173L167-G171 PolarHBondContact O-N 3.34Å; K168-G171 PolarHBondContact O-N 2.92Å; A169-G171 VanDerWaalsContact C-N 3.29Å; G171-L173 PolarHBondContact O-N 2.93Å
172R92.6Very high93.2Very high75 Ų7548.7 Ų48.728%0.28327%0.272SS..  trans-82.763.9178.8-65.8168.867.2177-3.1110.5E140 L167 L170 E174 E175 A176E140-R172 IonicContact OE1-NH1 3.88Å; E140-R172 PolarHBondContact OE1-NH1 2.92Å; E140-R172 IonicContact OE2-NH1 2.77Å; E140-R172 PolarHBondContact OE2-NH1 2.77Å; L167-R172 HydrophobicContact CB-CB 4.39Å; L167-R172 HydrophobicContact CD2-CB 4.2Å; L167-R172 PolarHBondContact O-N 3.18Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 HydrophobicContact CB-CG 4.4Å; L170-R172 PolarHBondContact O-N 3.42Å; R172-E174 PolarHBondContact O-N 2.88Å; R172-E175 HydrophobicContact CB-CB 4.49Å; R172-E175 IonicContact CZ-OE1 2.88Å; R172-E175 IonicContact CZ-OE2 3.95Å; R172-E175 IonicContact NE-OE1 2.79Å; R172-E175 PolarHBondContact NE-OE1 2.95Å; R172-E175 IonicContact NE-OE2 3.8Å; R172-E175 IonicContact NH2-OE1 2.85Å; R172-E175 PolarHBondContact NH2-OE1 3.25Å; R172-E175 IonicContact NH2-OE2 3.65Å; R172-E175 PolarHBondContact NH2-OE2 3.4Å; R172-E175 PolarHBondContact O-N 3.1Å; R172-A176 PolarHBondContact O-N 3.41Å
173L91Very high93.3Very high48 Ų4845.3 Ų45.325%0.25125%0.254SS..Hα-helixtrans-60.4-39.8-168.2-64.4-178.2000114.3K168 G171 A176 K177 V200 A203 Q204K168-L173 HydrophobicContact CG-CD2 4.24Å; G171-L173 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 3.27Å; L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.37Å; L173-V200 HydrophobicContact CB-CG1 4.24Å; L173-A203 HydrophobicContact CD1-CB 4.22Å; L173-Q204 HydrophobicContact CD1-CG 4.38Å
174E92.2Very high93.2Very high113 Ų11345.8 Ų45.853%0.52826%0.256SS..Hα-helixtrans-67.4-36.6179.2-74-57.4141.200112.7R172 K177 A178 Q204R172-E174 PolarHBondContact O-N 2.88Å; E174-K177 WeakPolarHBondContact O-CB 3.41Å; E174-K177 PolarHBondContact O-N 3.16Å; E174-K177 IonicContact OE2-NZ 3.71Å; E174-A178 PolarHBondContact O-N 2.68Å; E174-Q204 PolarHBondContact OE1-NE2 2.89Å
175E94Very high93.2Very high88 Ų8852 Ų5241%0.41129%0.285SS..Hα-helixtrans-74.5-37.6177.2-63.9-179.7-98.100111.4L167 R172 K177 A178 C179L167-E175 HydrophobicContact CD1-CB 3.91Å; L167-E175 HydrophobicContact CD2-CB 4.41Å; R172-E175 HydrophobicContact CB-CB 4.49Å; R172-E175 IonicContact CZ-OE1 2.88Å; R172-E175 IonicContact CZ-OE2 3.95Å; R172-E175 IonicContact NE-OE1 2.79Å; R172-E175 PolarHBondContact NE-OE1 2.95Å; R172-E175 IonicContact NE-OE2 3.8Å; R172-E175 IonicContact NH2-OE1 2.85Å; R172-E175 PolarHBondContact NH2-OE1 3.25Å; R172-E175 IonicContact NH2-OE2 3.65Å; R172-E175 PolarHBondContact NH2-OE2 3.4Å; R172-E175 PolarHBondContact O-N 3.1Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 2.84Å; E175-A178 PolarHBondContact O-N 3.03Å; E175-C179 PolarHBondContact O-N 3.41Å; E175-C179 PolarHBondContact O-SG 2.87Å
176A95.2Very high93.1Very high0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-59.3-45.7171.500000111.2G164 L167 K168 R172 L173 A178 C179 Y180G164-A176 WeakPolarHBondContact O-CB 3.4Å; L167-A176 HydrophobicContact CB-CB 3.94Å; K168-A176 HydrophobicContact CB-CB 4.05Å; R172-A176 PolarHBondContact O-N 3.41Å; L173-A176 PolarHBondContact O-N 3.27Å; A176-A178 PolarHBondContact O-N 2.8Å; A176-C179 WeakPolarHBondContact O-CB 2.95Å; A176-C179 PolarHBondContact O-N 2.74Å; A176-C179 VanDerWaalsContact O-N 3.16Å; A176-Y180 HydrophobicContact CB-CE2 4Å; A176-Y180 WeakPolarHBondContact O-CD2 3.5Å; A176-Y180 PolarHBondContact O-N 2.99Å
177K94.6Very high93.1Very high46 Ų4653.9 Ų53.920%0.230%0.295CS..Hα-helixtrans-56.8-48.1174.9177.9179.7177.8-178.30112L173 E174 E175 C179 Y180 L181 L197 V200L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.37Å; E174-K177 WeakPolarHBondContact O-CB 3.41Å; E174-K177 PolarHBondContact O-N 3.16Å; E174-K177 IonicContact OE2-NZ 3.71Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 2.84Å; K177-C179 VanDerWaalsContact C-N 3.28Å; K177-C179 PolarHBondContact O-N 2.96Å; K177-Y180 PolarHBondContact O-N 2.78Å; K177-L181 HydrophobicContact CG-CD1 4.03Å; K177-L181 WeakPolarHBondContact O-CB 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.33Å; K177-L181 PolarHBondContact O-N 2.85Å; K177-L197 HydrophobicContact CB-CD1 4.36Å; K177-L197 HydrophobicContact CG-CD1 3.81Å; K177-V200 HydrophobicContact CB-CG1 4.21Å
178A94.8Very high93.1Very high56 Ų5657.5 Ų57.546%0.46332%0.318SS..Hα-helixtrans-59.4-39.7176.600000112E174 E175 A176 K182E174-A178 PolarHBondContact O-N 2.68Å; E175-A178 PolarHBondContact O-N 3.03Å; A176-A178 PolarHBondContact O-N 2.8Å; A178-K182 WeakPolarHBondContact O-CB 3.11Å; A178-K182 PolarHBondContact O-N 3.42Å; A178-K182 VanDerWaalsContact O-N 3.08Å
179C95.1Very high93.2Very high14 Ų1459.3 Ų59.310%0.09533%0.331CS..Hα-helixtrans-63.1-48.8175.7-68.60000112.2R160 E175 A176 K177 K182 A183R160-C179 WeakPolarHBondContact CD-O 3.48Å; R160-C179 HydrophobicContact CG-CB 4.05Å; R160-C179 WeakPolarHBondContact CG-O 3.48Å; E175-C179 PolarHBondContact O-N 3.41Å; E175-C179 PolarHBondContact O-SG 2.87Å; A176-C179 WeakPolarHBondContact O-CB 2.95Å; A176-C179 PolarHBondContact O-N 2.74Å; A176-C179 VanDerWaalsContact O-N 3.16Å; K177-C179 VanDerWaalsContact C-N 3.28Å; K177-C179 PolarHBondContact O-N 2.96Å; C179-K182 PolarHBondContact O-N 2.88Å; C179-A183 WeakPolarHBondContact O-CB 3.49Å; C179-A183 PolarHBondContact O-N 3.11Å
180Y96.1Very high93.5Very high0 Ų057 Ų570%031%0.305CS..Hα-helixtrans-65.5-42.4179.7-58-51.6000112.6G164 N165 A176 K177 K182 A183 I184 N196 L197 V200G164-Y180 VanDerWaalsContact C-CZ 3.41Å; G164-Y180 PolarHBondContact O-OH 2.9Å; N165-Y180 VanDerWaalsContact CA-OH 3.24Å; N165-Y180 WeakPolarHBondContact CA-OH 3.28Å; N165-Y180 PolarHBondContact N-OH 3.42Å; N165-Y180 VanDerWaalsContact N-OH 3.08Å; N165-Y180 PolarHBondContact OD1-OH 2.75Å; A176-Y180 HydrophobicContact CB-CE2 4Å; A176-Y180 WeakPolarHBondContact O-CD2 3.5Å; A176-Y180 PolarHBondContact O-N 2.99Å; K177-Y180 PolarHBondContact O-N 2.78Å; Y180-K182 VanDerWaalsContact C-N 3.3Å; Y180-K182 PolarHBondContact O-N 2.77Å; Y180-A183 PolarHBondContact O-N 3.1Å; Y180-I184 VanDerWaalsContact O-CG1 3.3Å; Y180-I184 WeakPolarHBondContact O-CG1 3.48Å; Y180-I184 PolarHBondContact O-N 2.84Å; Y180-N196 HydrophobicContact CD1-CB 3.87Å; Y180-N196 HydrophobicContact CD2-CB 4.27Å; Y180-N196 HydrophobicContact CE1-CB 3.48Å; Y180-N196 VanDerWaalsContact CE1-CB 3.48Å; Y180-N196 HydrophobicContact CE2-CB 3.94Å; Y180-N196 HydrophobicContact CG-CB 4.26Å; Y180-L197 HydrophobicContact CD2-CB 4.42Å; Y180-L197 HydrophobicContact CG-CB 4.49Å; Y180-V200 HydrophobicContact CD2-CG2 4.18Å; Y180-V200 HydrophobicContact CE2-CG2 3.76Å
181L95.2Very high93.7Very high81 Ų8154.2 Ų54.242%0.42429%0.292SS..Hα-helixtrans-57.9-45.2176.2-77171.1000111.2K177 I184 E185 L197K177-L181 HydrophobicContact CG-CD1 4.03Å; K177-L181 WeakPolarHBondContact O-CB 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.33Å; K177-L181 PolarHBondContact O-N 2.85Å; L181-I184 PolarHBondContact O-N 2.9Å; L181-E185 PolarHBondContact O-N 3.29Å; L181-L197 HydrophobicContact CD2-CD2 3.59Å; L181-L197 HydrophobicContact CG-CD2 4Å
182K94.2Very high94Very high80 Ų8054.2 Ų54.235%0.34828%0.281SS..Hα-helixtrans-72-31.8179.8-172.966.4178.7-176.80112.3A178 C179 Y180 E185 T186A178-K182 WeakPolarHBondContact O-CB 3.11Å; A178-K182 PolarHBondContact O-N 3.42Å; A178-K182 VanDerWaalsContact O-N 3.08Å; C179-K182 PolarHBondContact O-N 2.88Å; Y180-K182 VanDerWaalsContact C-N 3.3Å; Y180-K182 PolarHBondContact O-N 2.77Å; K182-E185 HydrophobicContact CD-CB 4.4Å; K182-E185 WeakPolarHBondContact CD-OE2 3.26Å; K182-E185 WeakPolarHBondContact CE-OE2 3.46Å; K182-E185 IonicContact NZ-OE1 3.76Å; K182-E185 PolarHBondContact NZ-OE1 2.78Å; K182-E185 IonicContact NZ-OE2 2.73Å; K182-E185 PolarHBondContact NZ-OE2 3.1Å; K182-E185 PolarHBondContact O-N 2.93Å; K182-T186 PolarHBondContact O-N 3.23Å; K182-T186 VanDerWaalsContact O-N 3.11Å; K182-T186 PolarHBondContact O-OG1 3.13Å
183A94.1Very high94.1Very high0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-64.1-39.8170.600000112.3R160 C179 Y180 T186 Q187 A193R160-A183 HydrophobicContact CB-CB 4.43Å; R160-A183 HydrophobicContact CG-CB 4.41Å; C179-A183 WeakPolarHBondContact O-CB 3.49Å; C179-A183 PolarHBondContact O-N 3.11Å; Y180-A183 PolarHBondContact O-N 3.1Å; A183-T186 PolarHBondContact O-N 3.16Å; A183-Q187 PolarHBondContact O-N 3.11Å; A183-A193 HydrophobicContact CB-CB 4.24Å
184I95Very high94.3Very high16 Ų1650.5 Ų50.58%0.08226%0.263CS..Hα-helixtrans-66.9-40.3174.5-68.9163.7000111.1Y180 L181 T186 Q187 P188 A193 W194 L197Y180-I184 VanDerWaalsContact O-CG1 3.3Å; Y180-I184 WeakPolarHBondContact O-CG1 3.48Å; Y180-I184 PolarHBondContact O-N 2.84Å; L181-I184 PolarHBondContact O-N 2.9Å; I184-T186 VanDerWaalsContact C-N 3.31Å; I184-T186 PolarHBondContact O-N 3.11Å; I184-Q187 CarbonylContact O-C 3.27Å; I184-Q187 PolarHBondContact O-N 3.19Å; I184-P188 VanDerWaalsContact O-CA 3.22Å; I184-P188 WeakPolarHBondContact O-CA 3.47Å; I184-P188 WeakPolarHBondContact O-CD 3.3Å; I184-P188 VanDerWaalsContact O-N 3.09Å; I184-A193 HydrophobicContact CD1-CB 4.28Å; I184-A193 HydrophobicContact CG1-CB 3.74Å; I184-W194 HydrophobicContact CD1-CD2 3.77Å; I184-W194 HydrophobicContact CD1-CE3 4.11Å; I184-W194 HydrophobicContact CD1-CG 4.01Å; I184-W194 HydrophobicContact CD1-CZ2 4.45Å; I184-W194 HydrophobicContact CG1-CD2 4.28Å; I184-W194 HydrophobicContact CG1-CG 4.31Å; I184-W194 HydrophobicContact CG2-CD2 4.45Å; I184-W194 HydrophobicContact CG2-CH2 4.06Å; I184-W194 HydrophobicContact CG2-CZ2 3.33Å; I184-L197 HydrophobicContact CD1-CD2 3.8Å
185E93.9Very high94.5Very high130 Ų13045.3 Ų45.361%0.60724%0.24SC*.Hα-helixtrans-60.1-42.2176.5-167.9-169.2149.700111.4L181 K182L181-E185 PolarHBondContact O-N 3.29Å; K182-E185 HydrophobicContact CD-CB 4.4Å; K182-E185 WeakPolarHBondContact CD-OE2 3.26Å; K182-E185 WeakPolarHBondContact CE-OE2 3.46Å; K182-E185 IonicContact NZ-OE1 3.76Å; K182-E185 PolarHBondContact NZ-OE1 2.78Å; K182-E185 IonicContact NZ-OE2 2.73Å; K182-E185 PolarHBondContact NZ-OE2 3.1Å; K182-E185 PolarHBondContact O-N 2.93Å
186T92.1Very high94.6Very high40 Ų4042.1 Ų42.125%0.24523%0.226CC..Hα-helixtrans-70.4-44.1176.3-57.60000112.3D155 Y157 K182 A183 I184D155-T186 HydrophobicContact CB-CG2 4.14Å; D155-T186 WeakPolarHBondContact O-CG2 3.23Å; Y157-T186 HydrophobicContact CD1-CG2 4.42Å; K182-T186 PolarHBondContact O-N 3.23Å; K182-T186 VanDerWaalsContact O-N 3.11Å; K182-T186 PolarHBondContact O-OG1 3.13Å; A183-T186 PolarHBondContact O-N 3.16Å; I184-T186 VanDerWaalsContact C-N 3.31Å; I184-T186 PolarHBondContact O-N 3.11Å
187Q93.8Very high94.6Very high64 Ų6442.1 Ų42.130%0.29923%0.226SC..  trans-134.990.4-179.2-168.862.649.400111.5Y157 A183 I184 N189 F190Y157-Q187 HydrophobicContact CD1-CB 3.75Å; Y157-Q187 HydrophobicContact CD1-CG 4.32Å; Y157-Q187 HydrophobicContact CD2-CB 3.87Å; Y157-Q187 HydrophobicContact CD2-CG 4.34Å; Y157-Q187 HydrophobicContact CE1-CB 4.01Å; Y157-Q187 HydrophobicContact CE1-CG 4.07Å; Y157-Q187 HydrophobicContact CE2-CB 4.13Å; Y157-Q187 HydrophobicContact CE2-CG 4.08Å; Y157-Q187 HydrophobicContact CG-CB 3.68Å; Y157-Q187 HydrophobicContact CG-CG 4.46Å; A183-Q187 PolarHBondContact O-N 3.11Å; I184-Q187 CarbonylContact O-C 3.27Å; I184-Q187 PolarHBondContact O-N 3.19Å; Q187-N189 VanDerWaalsContact C-N 3.26Å; Q187-N189 VanDerWaalsContact CG-OD1 3.24Å; Q187-N189 WeakPolarHBondContact CG-OD1 3.29Å; Q187-N189 PolarHBondContact NE2-OD1 3.09Å; Q187-N189 PolarHBondContact O-N 3.5Å; Q187-N189 VanDerWaalsContact O-N 3.14Å; Q187-F190 HydrophobicContact CB-CB 4.27Å; Q187-F190 HydrophobicContact CG-CB 4.18Å; Q187-F190 VanDerWaalsContact O-CB 3.3Å; Q187-F190 WeakPolarHBondContact O-CB 3.41Å; Q187-F190 PolarHBondContact O-N 3.45Å; Q187-F190 VanDerWaalsContact O-N 3.09Å
188P93.8Very high94.6Very high81 Ų8140 Ų4053%0.52622%0.216SC..THydrogen-bonded Turntrans-63.1-24.2-172.3-28.236000115.9I184 F190 W194I184-P188 VanDerWaalsContact O-CA 3.22Å; I184-P188 WeakPolarHBondContact O-CA 3.47Å; I184-P188 WeakPolarHBondContact O-CD 3.3Å; I184-P188 VanDerWaalsContact O-N 3.09Å; P188-F190 VanDerWaalsContact C-N 3.32Å; P188-W194 PolarHBondContact O-NE1 2.94Å
189N93.7Very high94.6Very high102 Ų10238.8 Ų38.855%0.54520%0.204SC..THydrogen-bonded Turntrans-88.57.1179.270.8-5.9000113.7Q187 A191 L220Q187-N189 VanDerWaalsContact C-N 3.26Å; Q187-N189 VanDerWaalsContact CG-OD1 3.24Å; Q187-N189 WeakPolarHBondContact CG-OD1 3.29Å; Q187-N189 PolarHBondContact NE2-OD1 3.09Å; Q187-N189 PolarHBondContact O-N 3.5Å; Q187-N189 VanDerWaalsContact O-N 3.14Å; N189-A191 PolarHBondContact O-N 2.77Å; N189-L220 HydrophobicContact CB-CD2 4.1Å
190F93.9Very high94.5Very high40 Ų4038.1 Ų38.118%0.17520%0.2CC..  trans-78.886.3-179.2-174.5-130.6000111.7Y157 Q187 P188 V192 A193Y157-F190 HydrophobicContact CD2-CB 4.22Å; Y157-F190 AromaticContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD2 4.18Å; Y157-F190 HydrophobicContact CD2-CE1 4.1Å; Y157-F190 AromaticContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CZ 4.47Å; Y157-F190 HydrophobicContact CE2-CB 4.24Å; Y157-F190 HydrophobicContact CE2-CD1 4.18Å; Y157-F190 AromaticContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CE2 4.12Å; Y157-F190 AromaticContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CZ 4.47Å; Q187-F190 HydrophobicContact CB-CB 4.27Å; Q187-F190 HydrophobicContact CG-CB 4.18Å; Q187-F190 VanDerWaalsContact O-CB 3.3Å; Q187-F190 WeakPolarHBondContact O-CB 3.41Å; Q187-F190 PolarHBondContact O-N 3.45Å; Q187-F190 VanDerWaalsContact O-N 3.09Å; P188-F190 VanDerWaalsContact C-N 3.32Å; F190-V192 HydrophobicContact CD2-CB 4.48Å; F190-V192 HydrophobicContact CE1-CB 4.12Å; F190-V192 HydrophobicContact CE2-CB 3.89Å; F190-V192 HydrophobicContact CE2-CG2 4.09Å; F190-V192 HydrophobicContact CZ-CB 3.69Å; F190-V192 HydrophobicContact CZ-CG1 4.19Å; F190-V192 HydrophobicContact CZ-CG2 4.3Å; F190-V192 PolarHBondContact O-N 3Å; F190-V192 VanDerWaalsContact O-N 3.13Å; F190-A193 HydrophobicContact CD1-CB 3.5Å; F190-A193 VanDerWaalsContact CD1-CB 3.5Å; F190-A193 HydrophobicContact CE1-CB 3.92Å; F190-A193 HydrophobicContact CG-CB 4.48Å; F190-A193 PolarHBondContact O-N 2.98Å; F190-A193 VanDerWaalsContact O-N 3.15Å
191A94.4Very high94.4Very high9 Ų938.8 Ų38.87%0.07420%0.203CC..Hα-helixtrans-53.4-35.1-173.500000114.3N189 A193 W194 S195 L220 D221 F224N189-A191 PolarHBondContact O-N 2.77Å; A191-A193 PolarHBondContact O-N 3.08Å; A191-W194 WeakPolarHBondContact O-CB 3.46Å; A191-W194 PolarHBondContact O-N 3.49Å; A191-S195 PolarHBondContact O-N 2.77Å; A191-L220 HydrophobicContact CB-CB 3.86Å; A191-D221 HydrophobicContact CB-CB 3.8Å; A191-F224 HydrophobicContact CB-CD1 4.1Å; A191-F224 HydrophobicContact CB-CE1 4.35Å
192V94.2Very high94.2Very high56 Ų5637.3 Ų37.334%0.33920%0.195SC..Hα-helixtrans-60.4-42.8-179.91780000111.9F190 W194 S195 N196 F224F190-V192 HydrophobicContact CD2-CB 4.48Å; F190-V192 HydrophobicContact CE1-CB 4.12Å; F190-V192 HydrophobicContact CE2-CB 3.89Å; F190-V192 HydrophobicContact CE2-CG2 4.09Å; F190-V192 HydrophobicContact CZ-CB 3.69Å; F190-V192 HydrophobicContact CZ-CG1 4.19Å; F190-V192 HydrophobicContact CZ-CG2 4.3Å; F190-V192 PolarHBondContact O-N 3Å; F190-V192 VanDerWaalsContact O-N 3.13Å; V192-W194 PolarHBondContact O-N 3.05Å; V192-S195 PolarHBondContact O-N 2.83Å; V192-N196 WeakPolarHBondContact O-CB 3.49Å; V192-N196 PolarHBondContact O-N 3Å; V192-N196 PolarHBondContact O-ND2 3.29Å; V192-F224 HydrophobicContact CG2-CE1 4.35Å; V192-F224 HydrophobicContact CG2-CZ 4.25Å
193A94.2Very high94Very high0 Ų036.8 Ų36.80%021%0.206CC..Hα-helixtrans-67.3-36.7178.300000112.2A183 I184 F190 A191 N196 L197A183-A193 HydrophobicContact CB-CB 4.24Å; I184-A193 HydrophobicContact CD1-CB 4.28Å; I184-A193 HydrophobicContact CG1-CB 3.74Å; F190-A193 HydrophobicContact CD1-CB 3.5Å; F190-A193 VanDerWaalsContact CD1-CB 3.5Å; F190-A193 HydrophobicContact CE1-CB 3.92Å; F190-A193 HydrophobicContact CG-CB 4.48Å; F190-A193 PolarHBondContact O-N 2.98Å; F190-A193 VanDerWaalsContact O-N 3.15Å; A191-A193 PolarHBondContact O-N 3.08Å; A193-N196 PolarHBondContact O-N 3.28Å; A193-L197 VanDerWaalsContact O-CB 3.26Å; A193-L197 WeakPolarHBondContact O-CB 3.22Å; A193-L197 PolarHBondContact O-N 2.99Å
194W97Very high93.7Very high44 Ų4439.8 Ų39.817%0.16722%0.22CC..Hα-helixtrans-62.4-47.1173.6-73.398.2000112I184 P188 A191 V192 L197 G198 H213 K216 A217 L220I184-W194 HydrophobicContact CD1-CD2 3.77Å; I184-W194 HydrophobicContact CD1-CE3 4.11Å; I184-W194 HydrophobicContact CD1-CG 4.01Å; I184-W194 HydrophobicContact CD1-CZ2 4.45Å; I184-W194 HydrophobicContact CG1-CD2 4.28Å; I184-W194 HydrophobicContact CG1-CG 4.31Å; I184-W194 HydrophobicContact CG2-CD2 4.45Å; I184-W194 HydrophobicContact CG2-CH2 4.06Å; I184-W194 HydrophobicContact CG2-CZ2 3.33Å; P188-W194 PolarHBondContact O-NE1 2.94Å; A191-W194 WeakPolarHBondContact O-CB 3.46Å; A191-W194 PolarHBondContact O-N 3.49Å; V192-W194 PolarHBondContact O-N 3.05Å; W194-L197 PolarHBondContact O-N 2.86Å; W194-G198 PolarHBondContact O-N 2.87Å; W194-H213 HydrophobicContact CE3-CB 4.43Å; W194-H213 AromaticContact CE3-CD2 3.52Å; W194-H213 AromaticContact CZ3-CD2 3.63Å; W194-H213 AromaticContact CZ3-NE2 3.95Å; W194-K216 HydrophobicContact CD2-CB 4.01Å; W194-K216 HydrophobicContact CE3-CB 3.79Å; W194-K216 HydrophobicContact CE3-CG 4.25Å; W194-K216 HydrophobicContact CG-CB 4.42Å; W194-K216 HydrophobicContact CZ3-CB 4.27Å; W194-K216 HydrophobicContact CZ3-CG 4.22Å; W194-A217 HydrophobicContact CB-CB 3.92Å; W194-L220 HydrophobicContact CG-CD1 4.17Å
195S95.8Very high93.3Very high5 Ų541.6 Ų41.64%0.03524%0.242CC..Hα-helixtrans-62.6-43.9177.7-1770000111.8A191 V192 L197 G198 C199 F214 F224A191-S195 PolarHBondContact O-N 2.77Å; V192-S195 PolarHBondContact O-N 2.83Å; S195-L197 PolarHBondContact O-N 2.78Å; S195-G198 PolarHBondContact O-N 2.88Å; S195-C199 PolarHBondContact O-N 2.92Å; S195-C199 PolarHBondContact O-SG 3.41Å; S195-C199 VanDerWaalsContact O-SG 3.32Å; S195-F214 WeakPolarHBondContact O-CE1 3.26Å; S195-F224 VanDerWaalsContact CB-CE1 3.47Å
196N95Very high93.2Very high21 Ų2140.3 Ų40.311%0.11224%0.236CC..Hα-helixtrans-65.7-37.3177.6-82.6-36.1000113.1N165 K168 Y180 V192 A193 G198 C199 V200N165-N196 VanDerWaalsContact OD1-CG 3.3Å; N165-N196 PolarHBondContact OD1-ND2 2.87Å; N165-N196 PolarHBondContact OD1-OD1 2.8Å; K168-N196 PolarHBondContact NZ-OD1 3.21Å; Y180-N196 HydrophobicContact CD1-CB 3.87Å; Y180-N196 HydrophobicContact CD2-CB 4.27Å; Y180-N196 HydrophobicContact CE1-CB 3.48Å; Y180-N196 VanDerWaalsContact CE1-CB 3.48Å; Y180-N196 HydrophobicContact CE2-CB 3.94Å; Y180-N196 HydrophobicContact CG-CB 4.26Å; V192-N196 WeakPolarHBondContact O-CB 3.49Å; V192-N196 PolarHBondContact O-N 3Å; V192-N196 PolarHBondContact O-ND2 3.29Å; A193-N196 PolarHBondContact O-N 3.28Å; N196-G198 VanDerWaalsContact C-N 3.35Å; N196-C199 WeakPolarHBondContact O-CB 3.47Å; N196-C199 PolarHBondContact O-N 2.71Å; N196-V200 PolarHBondContact O-N 3.44Å; N196-V200 VanDerWaalsContact O-N 3.17Å
197L95.5Very high93.1Very high0 Ų041 Ų410%024%0.238CC..Hα-helixtrans-66-38.5173.3-176.854.7000111.5K177 Y180 L181 I184 A193 W194 S195 C199 V200 F201 H213K177-L197 HydrophobicContact CB-CD1 4.36Å; K177-L197 HydrophobicContact CG-CD1 3.81Å; Y180-L197 HydrophobicContact CD2-CB 4.42Å; Y180-L197 HydrophobicContact CG-CB 4.49Å; L181-L197 HydrophobicContact CD2-CD2 3.59Å; L181-L197 HydrophobicContact CG-CD2 4Å; I184-L197 HydrophobicContact CD1-CD2 3.8Å; A193-L197 VanDerWaalsContact O-CB 3.26Å; A193-L197 WeakPolarHBondContact O-CB 3.22Å; A193-L197 PolarHBondContact O-N 2.99Å; W194-L197 PolarHBondContact O-N 2.86Å; S195-L197 PolarHBondContact O-N 2.78Å; L197-C199 VanDerWaalsContact C-N 3.32Å; L197-C199 PolarHBondContact O-N 2.76Å; L197-V200 PolarHBondContact O-N 3.48Å; L197-V200 VanDerWaalsContact O-N 3.15Å; L197-F201 HydrophobicContact CD1-CD2 4.11Å; L197-F201 HydrophobicContact CD1-CE2 3.68Å; L197-F201 HydrophobicContact CD1-CZ 4.32Å; L197-F201 HydrophobicContact CD2-CE2 4.22Å; L197-F201 HydrophobicContact CG-CD2 4.02Å; L197-F201 HydrophobicContact CG-CE2 3.68Å; L197-F201 WeakPolarHBondContact O-CD2 3.28Å; L197-F201 PolarHBondContact O-N 3.32Å; L197-H213 VanDerWaalsContact CD2-CD2 3.41Å; L197-H213 WeakPolarHBondContact CD2-CD2 3.23Å
198G95.2Very high93.1Very high0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-57.4-43170.300000112.7W194 S195 N196 V200 F201 N202W194-G198 PolarHBondContact O-N 2.87Å; S195-G198 PolarHBondContact O-N 2.88Å; N196-G198 VanDerWaalsContact C-N 3.35Å; G198-V200 VanDerWaalsContact C-N 3.31Å; G198-V200 PolarHBondContact O-N 2.9Å; G198-F201 PolarHBondContact O-N 3.3Å; G198-N202 PolarHBondContact O-N 2.79Å
199C93.9Very high93.1Very high32 Ų3245.9 Ų45.922%0.21625%0.248CC..Hα-helixtrans-59.9-39.6174.5-63.20000112.5S195 N196 L197 N202 A203S195-C199 PolarHBondContact O-N 2.92Å; S195-C199 PolarHBondContact O-SG 3.41Å; S195-C199 VanDerWaalsContact O-SG 3.32Å; N196-C199 WeakPolarHBondContact O-CB 3.47Å; N196-C199 PolarHBondContact O-N 2.71Å; L197-C199 VanDerWaalsContact C-N 3.32Å; L197-C199 PolarHBondContact O-N 2.76Å; C199-N202 PolarHBondContact O-N 2.9Å; C199-A203 PolarHBondContact O-N 3.36Å
200V94Very high93.2Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-66.7-46.4178.1175.60000110.9K168 L173 K177 Y180 N196 L197 G198 N202 A203 Q204K168-V200 HydrophobicContact CD-CG2 4.19Å; K168-V200 HydrophobicContact CG-CG2 4.48Å; L173-V200 HydrophobicContact CB-CG1 4.24Å; K177-V200 HydrophobicContact CB-CG1 4.21Å; Y180-V200 HydrophobicContact CD2-CG2 4.18Å; Y180-V200 HydrophobicContact CE2-CG2 3.76Å; N196-V200 PolarHBondContact O-N 3.44Å; N196-V200 VanDerWaalsContact O-N 3.17Å; L197-V200 PolarHBondContact O-N 3.48Å; L197-V200 VanDerWaalsContact O-N 3.15Å; G198-V200 VanDerWaalsContact C-N 3.31Å; G198-V200 PolarHBondContact O-N 2.9Å; V200-N202 VanDerWaalsContact C-N 3.26Å; V200-N202 PolarHBondContact O-N 2.74Å; V200-A203 PolarHBondContact O-N 3.11Å; V200-Q204 WeakPolarHBondContact O-CG 3.47Å; V200-Q204 PolarHBondContact O-N 3.14Å
201F94Very high93.3Very high14 Ų1439.3 Ų39.36%0.06122%0.215CC..Hα-helixtrans-61.4-36.8176.3-77.1-58.3000112.3L197 G198 Q204 G205 E206 L209 A210 H213L197-F201 HydrophobicContact CD1-CD2 4.11Å; L197-F201 HydrophobicContact CD1-CE2 3.68Å; L197-F201 HydrophobicContact CD1-CZ 4.32Å; L197-F201 HydrophobicContact CD2-CE2 4.22Å; L197-F201 HydrophobicContact CG-CD2 4.02Å; L197-F201 HydrophobicContact CG-CE2 3.68Å; L197-F201 WeakPolarHBondContact O-CD2 3.28Å; L197-F201 PolarHBondContact O-N 3.32Å; G198-F201 PolarHBondContact O-N 3.3Å; F201-Q204 PolarHBondContact O-N 3.02Å; F201-G205 PolarHBondContact O-N 3.17Å; F201-E206 HydrophobicContact CB-CB 4.22Å; F201-E206 HydrophobicContact CD1-CB 3.99Å; F201-E206 HydrophobicContact CD1-CG 4.4Å; F201-E206 PolarHBondContact O-N 3.46Å; F201-L209 HydrophobicContact CB-CB 4.13Å; F201-L209 HydrophobicContact CD1-CB 3.91Å; F201-L209 HydrophobicContact CD1-CD1 3.87Å; F201-L209 HydrophobicContact CD2-CB 4.01Å; F201-L209 HydrophobicContact CE1-CB 4.29Å; F201-L209 HydrophobicContact CE1-CD1 3.64Å; F201-L209 HydrophobicContact CE2-CB 4.38Å; F201-L209 HydrophobicContact CG-CB 3.76Å; F201-L209 HydrophobicContact CZ-CD1 4.15Å; F201-A210 HydrophobicContact CB-CB 4.04Å; F201-H213 AromaticContact CD2-CE1 3.9Å; F201-H213 AromaticContact CD2-ND1 3.84Å; F201-H213 AromaticContact CE2-CE1 3.42Å; F201-H213 VanDerWaalsContact CE2-CE1 3.42Å; F201-H213 WeakPolarHBondContact CE2-CE1 3.37Å; F201-H213 AromaticContact CE2-ND1 3.85Å; F201-H213 AromaticContact CE2-NE2 3.64Å
202N91.6Very high93.3Very high49 Ų4942.9 Ų42.926%0.26223%0.23SC..Hα-helixtrans-63.3-45.8174.9-16541.1000111.7G198 C199 V200 Q204 G205 A210 V234G198-N202 PolarHBondContact O-N 2.79Å; C199-N202 PolarHBondContact O-N 2.9Å; V200-N202 VanDerWaalsContact C-N 3.26Å; V200-N202 PolarHBondContact O-N 2.74Å; N202-Q204 PolarHBondContact O-N 2.81Å; N202-G205 PolarHBondContact O-N 3.21Å; N202-A210 HydrophobicContact CB-CB 3.96Å; N202-V234 HydrophobicContact CB-CG2 4.25Å; N202-V234 VanDerWaalsContact CG-CG2 3.5Å; N202-V234 WeakPolarHBondContact OD1-CG2 3.33Å
203A88.5Confident93.4Very high70 Ų7041.1 Ų41.158%0.57922%0.218SC*.Hα-helixtrans-62.7-23175.900000113.4L173 C199 V200L173-A203 HydrophobicContact CD1-CB 4.22Å; C199-A203 PolarHBondContact O-N 3.36Å; V200-A203 PolarHBondContact O-N 3.11Å
204Q88.4Confident93.6Very high62 Ų6241.2 Ų41.229%0.2922%0.218SC..THydrogen-bonded Turntrans-87.1-5.1174.6-68.3-177.4-30.200113.7L173 E174 V200 F201 N202 E206L173-Q204 HydrophobicContact CD1-CG 4.38Å; E174-Q204 PolarHBondContact OE1-NE2 2.89Å; V200-Q204 WeakPolarHBondContact O-CG 3.47Å; V200-Q204 PolarHBondContact O-N 3.14Å; F201-Q204 PolarHBondContact O-N 3.02Å; N202-Q204 PolarHBondContact O-N 2.81Å; Q204-E206 VanDerWaalsContact C-N 3.29Å; Q204-E206 HydrophobicContact CB-CG 4.33Å
205G86.4Confident93.6Very high54 Ų5442.4 Ų42.456%0.55723%0.226SC*.THydrogen-bonded Turntrans797.6-175.600000114.5F201 N202 I207F201-G205 PolarHBondContact O-N 3.17Å; N202-G205 PolarHBondContact O-N 3.21Å; G205-I207 PolarHBondContact O-N 2.55Å
206E91.6Very high93.6Very high103 Ų10346.6 Ų46.648%0.48124%0.243SC..  trans-84.265.2179.3-66.8-67.1167.300110.7F201 Q204 W208 L209 A210F201-E206 HydrophobicContact CB-CB 4.22Å; F201-E206 HydrophobicContact CD1-CB 3.99Å; F201-E206 HydrophobicContact CD1-CG 4.4Å; F201-E206 PolarHBondContact O-N 3.46Å; Q204-E206 VanDerWaalsContact C-N 3.29Å; Q204-E206 HydrophobicContact CB-CG 4.33Å; E206-W208 VanDerWaalsContact C-N 3.32Å; E206-W208 PolarHBondContact O-N 2.73Å; E206-L209 HydrophobicContact CB-CB 4.25Å; E206-L209 HydrophobicContact CB-CD1 4.19Å; E206-L209 PolarHBondContact O-N 2.98Å; E206-L209 VanDerWaalsContact O-N 3.09Å; E206-A210 PolarHBondContact O-N 3.04Å
207I91.2Very high93.7Very high54 Ų5445.6 Ų45.628%0.27724%0.238SC..Hα-helixtrans-51.8-45.7-169.8-66.4174000112.6G205 L209 A210 I211 V234 A238G205-I207 PolarHBondContact O-N 2.55Å; I207-L209 PolarHBondContact O-N 3.31Å; I207-A210 WeakPolarHBondContact O-CB 3.4Å; I207-A210 PolarHBondContact O-N 3.2Å; I207-I211 HydrophobicContact CG2-CD1 4.01Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.07Å; I207-V234 HydrophobicContact CG2-CG1 3.83Å; I207-A238 HydrophobicContact CG2-CB 3.76Å
208W92Very high93.7Very high175 Ų17546.1 Ų46.166%0.66324%0.242SC*.Hα-helixtrans-68.2-36.4-177.6-68.3110.7000113.2E206 I211 H212 I240E206-W208 VanDerWaalsContact C-N 3.32Å; E206-W208 PolarHBondContact O-N 2.73Å; W208-I211 HydrophobicContact CE3-CD1 4.07Å; W208-I211 HydrophobicContact CZ3-CD1 4.31Å; W208-H212 PolarHBondContact O-N 3.27Å; W208-H212 VanDerWaalsContact O-N 3.13Å; W208-I240 HydrophobicContact CH2-CD1 3.53Å; W208-I240 HydrophobicContact CZ3-CD1 3.61Å
209L93.8Very high93.7Very high73 Ų7351 Ų5138%0.38227%0.272SS..Hα-helixtrans-69.5-40.4174.6-69.8175.1000110.4F201 E206 I207 I211 H212 H213F201-L209 HydrophobicContact CB-CB 4.13Å; F201-L209 HydrophobicContact CD1-CB 3.91Å; F201-L209 HydrophobicContact CD1-CD1 3.87Å; F201-L209 HydrophobicContact CD2-CB 4.01Å; F201-L209 HydrophobicContact CE1-CB 4.29Å; F201-L209 HydrophobicContact CE1-CD1 3.64Å; F201-L209 HydrophobicContact CE2-CB 4.38Å; F201-L209 HydrophobicContact CG-CB 3.76Å; F201-L209 HydrophobicContact CZ-CD1 4.15Å; E206-L209 HydrophobicContact CB-CB 4.25Å; E206-L209 HydrophobicContact CB-CD1 4.19Å; E206-L209 PolarHBondContact O-N 2.98Å; E206-L209 VanDerWaalsContact O-N 3.09Å; I207-L209 PolarHBondContact O-N 3.31Å; L209-I211 PolarHBondContact O-N 3.07Å; L209-H212 PolarHBondContact O-N 2.85Å; L209-H213 PolarHBondContact O-N 3.22Å; L209-H213 VanDerWaalsContact O-N 3.1Å; L209-H213 PolarHBondContact O-ND1 3.09Å
210A95.9Very high93.8Very high0 Ų053 Ų530%028%0.279CS..Hα-helixtrans-57.5-49.2174.900000111.7F201 N202 E206 I207 H212 H213 F214 V234F201-A210 HydrophobicContact CB-CB 4.04Å; N202-A210 HydrophobicContact CB-CB 3.96Å; E206-A210 PolarHBondContact O-N 3.04Å; I207-A210 WeakPolarHBondContact O-CB 3.4Å; I207-A210 PolarHBondContact O-N 3.2Å; A210-H212 PolarHBondContact O-N 3.01Å; A210-H213 PolarHBondContact O-N 3.38Å; A210-F214 HydrophobicContact CB-CD2 4.46Å; A210-F214 HydrophobicContact CB-CE2 4.21Å; A210-F214 WeakPolarHBondContact O-CD2 3.46Å; A210-F214 PolarHBondContact O-N 3.48Å; A210-V234 HydrophobicContact CB-CG1 4.18Å
211I96.2Very high93.8Very high4 Ų455.9 Ų55.92%0.02130%0.295CS..Hα-helixtrans-54.8-51176.2-67.9165.2000110.6I207 W208 L209 H213 F214 E215 L231 V234 L235 A238 I240I207-I211 HydrophobicContact CG2-CD1 4.01Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.07Å; W208-I211 HydrophobicContact CE3-CD1 4.07Å; W208-I211 HydrophobicContact CZ3-CD1 4.31Å; L209-I211 PolarHBondContact O-N 3.07Å; I211-H213 VanDerWaalsContact C-N 3.3Å; I211-H213 PolarHBondContact O-N 2.72Å; I211-F214 PolarHBondContact O-N 3.33Å; I211-E215 HydrophobicContact CG2-CG 4.29Å; I211-E215 WeakPolarHBondContact O-CG 3.35Å; I211-E215 PolarHBondContact O-N 3.26Å; I211-L231 HydrophobicContact CG2-CD1 4.13Å; I211-V234 HydrophobicContact CD1-CG1 4.22Å; I211-V234 HydrophobicContact CG1-CB 4.42Å; I211-V234 HydrophobicContact CG1-CG1 3.62Å; I211-L235 HydrophobicContact CD1-CD2 3.86Å; I211-L235 HydrophobicContact CG1-CD2 4.11Å; I211-L235 HydrophobicContact CG1-CG 4.46Å; I211-L235 HydrophobicContact CG2-CD2 4.11Å; I211-A238 HydrophobicContact CD1-CB 4.2Å; I211-I240 HydrophobicContact CD1-CD1 4.32Å
212H95.8Very high93.8Very high85 Ų8558.2 Ų58.239%0.39431%0.311SS..Hα-helixtrans-55.4-45.5-178.9179.577.5000112.6W208 L209 A210 E215 K216W208-H212 PolarHBondContact O-N 3.27Å; W208-H212 VanDerWaalsContact O-N 3.13Å; L209-H212 PolarHBondContact O-N 2.85Å; A210-H212 PolarHBondContact O-N 3.01Å; H212-E215 PolarHBondContact O-N 2.81Å; H212-K216 WeakPolarHBondContact O-CG 3.23Å; H212-K216 PolarHBondContact O-N 3.14Å
213H96.4Very high94Very high18 Ų1861.1 Ų61.18%0.08333%0.327CS..Hα-helixtrans-73.1-36.8-176.2-70.673.9000112.1W194 L197 F201 L209 A210 I211 K216 A217W194-H213 HydrophobicContact CE3-CB 4.43Å; W194-H213 AromaticContact CE3-CD2 3.52Å; W194-H213 AromaticContact CZ3-CD2 3.63Å; W194-H213 AromaticContact CZ3-NE2 3.95Å; L197-H213 VanDerWaalsContact CD2-CD2 3.41Å; L197-H213 WeakPolarHBondContact CD2-CD2 3.23Å; F201-H213 AromaticContact CD2-CE1 3.9Å; F201-H213 AromaticContact CD2-ND1 3.84Å; F201-H213 AromaticContact CE2-CE1 3.42Å; F201-H213 VanDerWaalsContact CE2-CE1 3.42Å; F201-H213 WeakPolarHBondContact CE2-CE1 3.37Å; F201-H213 AromaticContact CE2-ND1 3.85Å; F201-H213 AromaticContact CE2-NE2 3.64Å; L209-H213 PolarHBondContact O-N 3.22Å; L209-H213 VanDerWaalsContact O-N 3.1Å; L209-H213 PolarHBondContact O-ND1 3.09Å; A210-H213 PolarHBondContact O-N 3.38Å; I211-H213 VanDerWaalsContact C-N 3.3Å; I211-H213 PolarHBondContact O-N 2.72Å; H213-K216 PolarHBondContact O-N 3.16Å; H213-A217 PolarHBondContact O-N 2.94Å
214F97.3Very high94.2Very high2 Ų259.3 Ų59.31%0.00931%0.306CS..Hα-helixtrans-65.8-40.4172-70.3-52.3000112.3S195 A210 I211 K216 A217 V218 N230 L231 V234S195-F214 WeakPolarHBondContact O-CE1 3.26Å; A210-F214 HydrophobicContact CB-CD2 4.46Å; A210-F214 HydrophobicContact CB-CE2 4.21Å; A210-F214 WeakPolarHBondContact O-CD2 3.46Å; A210-F214 PolarHBondContact O-N 3.48Å; I211-F214 PolarHBondContact O-N 3.33Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 3.04Å; F214-A217 WeakPolarHBondContact O-CB 3.44Å; F214-A217 PolarHBondContact O-N 2.99Å; F214-A217 VanDerWaalsContact O-N 3.16Å; F214-V218 PolarHBondContact O-N 3.02Å; F214-N230 HydrophobicContact CD1-CB 4.07Å; F214-N230 HydrophobicContact CD2-CB 4.45Å; F214-N230 HydrophobicContact CE1-CB 3.56Å; F214-N230 HydrophobicContact CE2-CB 3.99Å; F214-N230 HydrophobicContact CZ-CB 3.52Å; F214-L231 HydrophobicContact CB-CB 3.95Å; F214-L231 HydrophobicContact CB-CD1 3.96Å; F214-L231 HydrophobicContact CB-CG 4.43Å; F214-V234 HydrophobicContact CD2-CG2 4.42Å; F214-V234 HydrophobicContact CE2-CG2 3.94Å
215E96.4Very high94.5Very high69 Ų6958.5 Ų58.532%0.32230%0.303SS..Hα-helixtrans-61.2-40.4174.8-74.8-169.7130.500112.3I211 H212 V218 T219 L231 R243I211-E215 HydrophobicContact CG2-CG 4.29Å; I211-E215 WeakPolarHBondContact O-CG 3.35Å; I211-E215 PolarHBondContact O-N 3.26Å; H212-E215 PolarHBondContact O-N 2.81Å; E215-V218 VanDerWaalsContact O-CG2 3.3Å; E215-V218 WeakPolarHBondContact O-CG2 3.21Å; E215-T219 WeakPolarHBondContact O-CB 3.41Å; E215-T219 PolarHBondContact O-N 2.74Å; E215-T219 PolarHBondContact O-OG1 3.4Å; E215-L231 HydrophobicContact CG-CD1 3.93Å; E215-L231 HydrophobicContact CG-CD2 4.07Å; E215-R243 IonicContact OE1-CZ 2.99Å; E215-R243 IonicContact OE1-NE 2.75Å; E215-R243 IonicContact OE1-NH2 2.68Å; E215-R243 PolarHBondContact OE1-NH2 3.11Å; E215-R243 IonicContact OE2-NH2 3.64Å; E215-R243 PolarHBondContact OE2-NH2 3.34Å
216K96.5Very high94.8Very high93 Ų9360.6 Ų60.640%0.40430%0.302SS..Hα-helixtrans-63.4-43.2172.9-72.4-64.2-178.7-175.50111.8W194 H212 H213 F214 V218 T219 L220W194-K216 HydrophobicContact CD2-CB 4.01Å; W194-K216 HydrophobicContact CE3-CB 3.79Å; W194-K216 HydrophobicContact CE3-CG 4.25Å; W194-K216 HydrophobicContact CG-CB 4.42Å; W194-K216 HydrophobicContact CZ3-CB 4.27Å; W194-K216 HydrophobicContact CZ3-CG 4.22Å; H212-K216 WeakPolarHBondContact O-CG 3.23Å; H212-K216 PolarHBondContact O-N 3.14Å; H213-K216 PolarHBondContact O-N 3.16Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 3.04Å; K216-V218 PolarHBondContact O-N 3.12Å; K216-T219 PolarHBondContact O-N 3.39Å; K216-L220 VanDerWaalsContact O-CG 3.32Å; K216-L220 WeakPolarHBondContact O-CG 3.43Å; K216-L220 PolarHBondContact O-N 2.71Å
217A96.5Very high95Very high0 Ų055.7 Ų55.70%028%0.279CS..Hα-helixtrans-58.9-48.7177.700000112.3W194 H213 F214 T219 L220 D221 F224 A227W194-A217 HydrophobicContact CB-CB 3.92Å; H213-A217 PolarHBondContact O-N 2.94Å; F214-A217 WeakPolarHBondContact O-CB 3.44Å; F214-A217 PolarHBondContact O-N 2.99Å; F214-A217 VanDerWaalsContact O-N 3.16Å; A217-T219 VanDerWaalsContact C-N 3.3Å; A217-T219 PolarHBondContact O-N 3.03Å; A217-L220 PolarHBondContact O-N 2.76Å; A217-D221 PolarHBondContact O-N 2.8Å; A217-F224 HydrophobicContact CB-CD1 4.36Å; A217-A227 HydrophobicContact CB-CB 4.11Å
218V95.9Very high95.3Very high12 Ų1254.6 Ų54.67%0.07327%0.272CS..Hα-helixtrans-72.4-22.5179.5-59.30000113.5F214 E215 K216 D221 P222 A227 Y228 L231F214-V218 PolarHBondContact O-N 3.02Å; E215-V218 VanDerWaalsContact O-CG2 3.3Å; E215-V218 WeakPolarHBondContact O-CG2 3.21Å; K216-V218 PolarHBondContact O-N 3.12Å; V218-D221 CarbonylContact O-C 3.4Å; V218-P222 WeakPolarHBondContact O-CA 3.28Å; V218-A227 HydrophobicContact CG1-CB 3.58Å; V218-Y228 HydrophobicContact CB-CD1 4.28Å; V218-Y228 HydrophobicContact CB-CD2 4.44Å; V218-Y228 HydrophobicContact CB-CE1 3.77Å; V218-Y228 HydrophobicContact CB-CE2 3.96Å; V218-Y228 HydrophobicContact CG1-CD1 3.8Å; V218-Y228 HydrophobicContact CG1-CD2 3.88Å; V218-Y228 HydrophobicContact CG1-CE1 3.82Å; V218-Y228 HydrophobicContact CG1-CE2 3.92Å; V218-Y228 HydrophobicContact CG1-CG 3.82Å; V218-Y228 HydrophobicContact CG2-CE1 3.97Å; V218-L231 HydrophobicContact CG2-CD2 4.29Å
219T96Very high95.5Very high103 Ų10347.2 Ų47.263%0.63225%0.245SC*.Hα-helixtrans-71.9-38.5172-58.90000111E215 K216 A217E215-T219 WeakPolarHBondContact O-CB 3.41Å; E215-T219 PolarHBondContact O-N 2.74Å; E215-T219 PolarHBondContact O-OG1 3.4Å; K216-T219 PolarHBondContact O-N 3.39Å; A217-T219 VanDerWaalsContact C-N 3.3Å; A217-T219 PolarHBondContact O-N 3.03Å
220L95.1Very high95.6Very high72 Ų7246.2 Ų46.238%0.37724%0.24SC..Hα-helixtrans-75.1-37.8178.9-70.4171.9000112.2N189 A191 W194 K216 A217N189-L220 HydrophobicContact CB-CD2 4.1Å; A191-L220 HydrophobicContact CB-CB 3.86Å; W194-L220 HydrophobicContact CG-CD1 4.17Å; K216-L220 VanDerWaalsContact O-CG 3.32Å; K216-L220 WeakPolarHBondContact O-CG 3.43Å; K216-L220 PolarHBondContact O-N 2.71Å; A217-L220 PolarHBondContact O-N 2.76Å
221D94.6Very high95.7Very high62 Ų6246.6 Ų46.633%0.33224%0.242SC..  trans-129.896.4173.1-179.14.6000111.1A191 A217 V218 N223 F224A191-D221 HydrophobicContact CB-CB 3.8Å; A217-D221 PolarHBondContact O-N 2.8Å; V218-D221 CarbonylContact O-C 3.4Å; D221-N223 PolarHBondContact O-N 2.88Å; D221-N223 VanDerWaalsContact O-N 3.07Å; D221-N223 PolarHBondContact OD1-N 2.86Å; D221-F224 HydrophobicContact CB-CB 3.99Å; D221-F224 VanDerWaalsContact O-CB 3.29Å; D221-F224 WeakPolarHBondContact O-CB 3.44Å; D221-F224 PolarHBondContact O-N 3.46Å; D221-F224 VanDerWaalsContact O-N 3.08Å
222P93.8Very high95.7Very high62 Ų6246.4 Ų46.440%0.40324%0.241SC..THydrogen-bonded Turntrans-65.3-5.7178.6-24.735.6000116V218 R250V218-P222 WeakPolarHBondContact O-CA 3.28Å; P222-R250 PolarHBondContact O-NH2 3.14Å
223N94.7Very high95.6Very high111 Ų11144.3 Ų44.359%0.59423%0.233SC*.THydrogen-bonded Turntrans-106.78.3176.1-63.9-36.1000112.4D221 L225 L254D221-N223 PolarHBondContact O-N 2.88Å; D221-N223 VanDerWaalsContact O-N 3.07Å; D221-N223 PolarHBondContact OD1-N 2.86Å; N223-L225 PolarHBondContact O-N 3.45Å; N223-L254 HydrophobicContact CB-CD2 4.38Å
224F94.6Very high95.6Very high32 Ų3243.5 Ų43.514%0.1423%0.229CC..  trans-77.685.2-177.5-161.3174.1000112.2A191 V192 S195 A217 D221 D226 A227 Y228A191-F224 HydrophobicContact CB-CD1 4.1Å; A191-F224 HydrophobicContact CB-CE1 4.35Å; V192-F224 HydrophobicContact CG2-CE1 4.35Å; V192-F224 HydrophobicContact CG2-CZ 4.25Å; S195-F224 VanDerWaalsContact CB-CE1 3.47Å; A217-F224 HydrophobicContact CB-CD1 4.36Å; D221-F224 HydrophobicContact CB-CB 3.99Å; D221-F224 VanDerWaalsContact O-CB 3.29Å; D221-F224 WeakPolarHBondContact O-CB 3.44Å; D221-F224 PolarHBondContact O-N 3.46Å; D221-F224 VanDerWaalsContact O-N 3.08Å; F224-D226 HydrophobicContact CD2-CB 4.38Å; F224-D226 HydrophobicContact CE2-CB 4.04Å; F224-D226 PolarHBondContact O-N 3.35Å; F224-A227 HydrophobicContact CB-CB 4.09Å; F224-A227 HydrophobicContact CD1-CB 3.69Å; F224-A227 HydrophobicContact CD2-CB 4.18Å; F224-A227 HydrophobicContact CE1-CB 4.17Å; F224-A227 HydrophobicContact CG-CB 3.7Å; F224-A227 PolarHBondContact O-N 3.37Å; F224-Y228 WeakPolarHBondContact O-CD2 3.34Å; F224-Y228 PolarHBondContact O-N 3.12Å
225L93.9Very high95.5Very high44 Ų4443.5 Ų43.523%0.2323%0.229CC..Hα-helixtrans-51-53.2-177176.861.5000113.3N223 A227 Y228 I229 A251 L254N223-L225 PolarHBondContact O-N 3.45Å; L225-A227 VanDerWaalsContact C-N 3.26Å; L225-A227 PolarHBondContact O-N 3.06Å; L225-Y228 PolarHBondContact O-N 3.25Å; L225-Y228 VanDerWaalsContact O-N 3.09Å; L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; L225-I229 HydrophobicContact CG-CD1 4Å; L225-I229 WeakPolarHBondContact O-CG1 3.47Å; L225-I229 PolarHBondContact O-N 3.24Å; L225-A251 HydrophobicContact CD1-CB 3.8Å; L225-A251 VanDerWaalsContact CD1-O 3.31Å; L225-A251 WeakPolarHBondContact CD1-O 3.26Å; L225-L254 HydrophobicContact CB-CD1 4.39Å; L225-L254 HydrophobicContact CD1-CB 4.19Å
226D93.1Very high95.4Very high98 Ų9842.5 Ų42.552%0.52422%0.224SC..Hα-helixtrans-61.3-35-176.1-65.1-26000112.5F224 I229 N230F224-D226 HydrophobicContact CD2-CB 4.38Å; F224-D226 HydrophobicContact CE2-CB 4.04Å; F224-D226 PolarHBondContact O-N 3.35Å; D226-I229 PolarHBondContact O-N 3.07Å; D226-N230 WeakPolarHBondContact O-CB 3.28Å; D226-N230 VanDerWaalsContact O-CG 3.31Å; D226-N230 PolarHBondContact O-N 3.29Å; D226-N230 PolarHBondContact O-ND2 3.1Å; D226-N230 VanDerWaalsContact O-ND2 3.15Å
227A94.5Very high95Very high0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-67.7-38177.100000111.8A217 V218 F224 L225 L231A217-A227 HydrophobicContact CB-CB 4.11Å; V218-A227 HydrophobicContact CG1-CB 3.58Å; F224-A227 HydrophobicContact CB-CB 4.09Å; F224-A227 HydrophobicContact CD1-CB 3.69Å; F224-A227 HydrophobicContact CD2-CB 4.18Å; F224-A227 HydrophobicContact CE1-CB 4.17Å; F224-A227 HydrophobicContact CG-CB 3.7Å; F224-A227 PolarHBondContact O-N 3.37Å; L225-A227 VanDerWaalsContact C-N 3.26Å; L225-A227 PolarHBondContact O-N 3.06Å; A227-L231 WeakPolarHBondContact O-CB 3.37Å; A227-L231 PolarHBondContact O-N 2.92Å
228Y97.6Very high94.8Very high32 Ų3245 Ų4513%0.12524%0.242CC..Hα-helixtrans-67-40.2173.4-79.6-66.9000112.8V218 F224 L225 L231 G232 R250 L254V218-Y228 HydrophobicContact CB-CD1 4.28Å; V218-Y228 HydrophobicContact CB-CD2 4.44Å; V218-Y228 HydrophobicContact CB-CE1 3.77Å; V218-Y228 HydrophobicContact CB-CE2 3.96Å; V218-Y228 HydrophobicContact CG1-CD1 3.8Å; V218-Y228 HydrophobicContact CG1-CD2 3.88Å; V218-Y228 HydrophobicContact CG1-CE1 3.82Å; V218-Y228 HydrophobicContact CG1-CE2 3.92Å; V218-Y228 HydrophobicContact CG1-CG 3.82Å; V218-Y228 HydrophobicContact CG2-CE1 3.97Å; F224-Y228 WeakPolarHBondContact O-CD2 3.34Å; F224-Y228 PolarHBondContact O-N 3.12Å; L225-Y228 PolarHBondContact O-N 3.25Å; L225-Y228 VanDerWaalsContact O-N 3.09Å; Y228-L231 PolarHBondContact O-N 3.03Å; Y228-G232 PolarHBondContact O-N 2.86Å; Y228-R250 HydrophobicContact CD1-CB 3.97Å; Y228-R250 HydrophobicContact CD1-CG 3.83Å; Y228-R250 HydrophobicContact CD2-CG 3.97Å; Y228-R250 HydrophobicContact CE1-CB 3.98Å; Y228-R250 HydrophobicContact CE1-CG 3.46Å; Y228-R250 VanDerWaalsContact CE1-CG 3.46Å; Y228-R250 HydrophobicContact CE2-CG 3.59Å; Y228-R250 HydrophobicContact CG-CB 4.34Å; Y228-R250 HydrophobicContact CG-CG 4.07Å; Y228-L254 HydrophobicContact CD2-CD1 3.93Å; Y228-L254 HydrophobicContact CE2-CD1 4.2Å
229I96.7Very high94.5Very high19 Ų1952.4 Ų52.410%0.09727%0.269CS..Hα-helixtrans-62.6-49.5177-64175.6000110L225 D226 L231 G232 N233 A251 V261L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; L225-I229 HydrophobicContact CG-CD1 4Å; L225-I229 WeakPolarHBondContact O-CG1 3.47Å; L225-I229 PolarHBondContact O-N 3.24Å; D226-I229 PolarHBondContact O-N 3.07Å; I229-L231 PolarHBondContact O-N 2.68Å; I229-G232 PolarHBondContact O-N 2.92Å; I229-N233 VanDerWaalsContact O-CG 3.27Å; I229-N233 PolarHBondContact O-N 2.79Å; I229-A251 HydrophobicContact CG1-CB 3.86Å; I229-V261 HydrophobicContact CD1-CG2 3.66Å; I229-V261 HydrophobicContact CG1-CG2 3.68Å; I229-V261 HydrophobicContact CG2-CG2 4.35Å
230N96Very high94.4Very high52 Ų5249.3 Ų49.328%0.27825%0.248SC..Hα-helixtrans-64.4-40178.8-70.6-32.7000112.1F214 D226 G232 N233 V234F214-N230 HydrophobicContact CD1-CB 4.07Å; F214-N230 HydrophobicContact CD2-CB 4.45Å; F214-N230 HydrophobicContact CE1-CB 3.56Å; F214-N230 HydrophobicContact CE2-CB 3.99Å; F214-N230 HydrophobicContact CZ-CB 3.52Å; D226-N230 WeakPolarHBondContact O-CB 3.28Å; D226-N230 VanDerWaalsContact O-CG 3.31Å; D226-N230 PolarHBondContact O-N 3.29Å; D226-N230 PolarHBondContact O-ND2 3.1Å; D226-N230 VanDerWaalsContact O-ND2 3.15Å; N230-G232 PolarHBondContact O-N 2.85Å; N230-N233 PolarHBondContact O-N 3.27Å; N230-V234 WeakPolarHBondContact O-CG2 3.36Å; N230-V234 PolarHBondContact O-N 2.84Å
231L97.3Very high94.3Very high9 Ų947.4 Ų47.45%0.04724%0.237CC..Hα-helixtrans-58.9-46.6173.6-179.257.6000111.3I211 F214 E215 V218 A227 Y228 I229 N233 V234 L235 A247I211-L231 HydrophobicContact CG2-CD1 4.13Å; F214-L231 HydrophobicContact CB-CB 3.95Å; F214-L231 HydrophobicContact CB-CD1 3.96Å; F214-L231 HydrophobicContact CB-CG 4.43Å; E215-L231 HydrophobicContact CG-CD1 3.93Å; E215-L231 HydrophobicContact CG-CD2 4.07Å; V218-L231 HydrophobicContact CG2-CD2 4.29Å; A227-L231 WeakPolarHBondContact O-CB 3.37Å; A227-L231 PolarHBondContact O-N 2.92Å; Y228-L231 PolarHBondContact O-N 3.03Å; I229-L231 PolarHBondContact O-N 2.68Å; L231-N233 PolarHBondContact O-N 3.33Å; L231-V234 PolarHBondContact O-N 2.86Å; L231-L235 HydrophobicContact CD1-CD1 3.71Å; L231-L235 HydrophobicContact CD1-CG 3.99Å; L231-L235 HydrophobicContact CD2-CD1 4.49Å; L231-L235 HydrophobicContact CG-CD1 3.67Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 WeakPolarHBondContact O-CD1 3.4Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 2.93Å; L231-A247 HydrophobicContact CB-CB 4.41Å; L231-A247 HydrophobicContact CD2-CB 4.29Å; L231-A247 HydrophobicContact CG-CB 4.17Å
232G96.1Very high94.3Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-60.2-42.7177.100000112.8Y228 I229 N230 L235 K236 Y248Y228-G232 PolarHBondContact O-N 2.86Å; I229-G232 PolarHBondContact O-N 2.92Å; N230-G232 PolarHBondContact O-N 2.85Å; G232-L235 PolarHBondContact O-N 3.03Å; G232-K236 WeakPolarHBondContact O-CB 3.26Å; G232-K236 PolarHBondContact O-N 3.35Å; G232-Y248 PolarHBondContact O-OH 3.19Å
233N95Very high94.3Very high41 Ų4152 Ų5222%0.21925%0.25CS..Hα-helixtrans-62.5-50.1178.4-67.3-17000111.5I229 N230 L231 L235 K236 E237 Y248 N264I229-N233 VanDerWaalsContact O-CG 3.27Å; I229-N233 PolarHBondContact O-N 2.79Å; N230-N233 PolarHBondContact O-N 3.27Å; L231-N233 PolarHBondContact O-N 3.33Å; N233-L235 PolarHBondContact O-N 3.13Å; N233-K236 WeakPolarHBondContact O-CB 3.33Å; N233-K236 PolarHBondContact O-N 2.99Å; N233-E237 PolarHBondContact O-N 3.38Å; N233-Y248 VanDerWaalsContact CA-OH 3.24Å; N233-Y248 WeakPolarHBondContact CA-OH 3.3Å; N233-Y248 PolarHBondContact N-OH 3.13Å; N233-Y248 WeakPolarHBondContact OD1-CE1 3.22Å; N233-Y248 PolarHBondContact OD1-OH 3.4Å; N233-N264 PolarHBondContact OD1-ND2 3.06Å
234V95.1Very high94.4Very high1 Ų146.7 Ų46.71%0.00622%0.222CC..Hα-helixtrans-67-37.1-179.9179.10000111.8N202 I207 A210 I211 F214 N230 L231 K236 E237 A238N202-V234 HydrophobicContact CB-CG2 4.25Å; N202-V234 VanDerWaalsContact CG-CG2 3.5Å; N202-V234 WeakPolarHBondContact OD1-CG2 3.33Å; I207-V234 HydrophobicContact CG2-CG1 3.83Å; A210-V234 HydrophobicContact CB-CG1 4.18Å; I211-V234 HydrophobicContact CD1-CG1 4.22Å; I211-V234 HydrophobicContact CG1-CB 4.42Å; I211-V234 HydrophobicContact CG1-CG1 3.62Å; F214-V234 HydrophobicContact CD2-CG2 4.42Å; F214-V234 HydrophobicContact CE2-CG2 3.94Å; N230-V234 WeakPolarHBondContact O-CG2 3.36Å; N230-V234 PolarHBondContact O-N 2.84Å; L231-V234 PolarHBondContact O-N 2.86Å; V234-K236 VanDerWaalsContact C-N 3.34Å; V234-E237 PolarHBondContact O-N 3.33Å; V234-A238 WeakPolarHBondContact O-CB 3.24Å; V234-A238 PolarHBondContact O-N 3.03Å
235L96Very high94.5Very high2 Ų246 Ų461%0.0122%0.22CC..Hα-helixtrans-66.2-35.9175.2-73.6167.6000112.3I211 L231 G232 N233 A238 R239 I240 R243 A244 A247I211-L235 HydrophobicContact CD1-CD2 3.86Å; I211-L235 HydrophobicContact CG1-CD2 4.11Å; I211-L235 HydrophobicContact CG1-CG 4.46Å; I211-L235 HydrophobicContact CG2-CD2 4.11Å; L231-L235 HydrophobicContact CD1-CD1 3.71Å; L231-L235 HydrophobicContact CD1-CG 3.99Å; L231-L235 HydrophobicContact CD2-CD1 4.49Å; L231-L235 HydrophobicContact CG-CD1 3.67Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 WeakPolarHBondContact O-CD1 3.4Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 2.93Å; G232-L235 PolarHBondContact O-N 3.03Å; N233-L235 PolarHBondContact O-N 3.13Å; L235-A238 PolarHBondContact O-N 2.98Å; L235-R239 PolarHBondContact O-N 2.88Å; L235-I240 HydrophobicContact CD2-CB 4.1Å; L235-I240 HydrophobicContact CD2-CD1 4.08Å; L235-I240 HydrophobicContact CD2-CG2 4.38Å; L235-I240 PolarHBondContact O-N 3.16Å; L235-R243 HydrophobicContact CD1-CB 3.78Å; L235-R243 HydrophobicContact CD2-CB 4.14Å; L235-A244 HydrophobicContact CB-CB 3.73Å; L235-A247 HydrophobicContact CD1-CB 4.41Å
236K93.4Very high94.6Very high48 Ų4846.6 Ų46.621%0.20923%0.232CC..Hα-helixtrans-62.3-48.4171.9172.1-173.7169.7-170.20110.4G232 N233 V234 A238 R239 A244 V268G232-K236 WeakPolarHBondContact O-CB 3.26Å; G232-K236 PolarHBondContact O-N 3.35Å; N233-K236 WeakPolarHBondContact O-CB 3.33Å; N233-K236 PolarHBondContact O-N 2.99Å; V234-K236 VanDerWaalsContact C-N 3.34Å; K236-A238 VanDerWaalsContact C-N 3.27Å; K236-A238 PolarHBondContact O-N 2.71Å; K236-R239 WeakPolarHBondContact O-CA 3.4Å; K236-R239 PolarHBondContact O-N 3.24Å; K236-A244 HydrophobicContact CB-CB 4.39Å; K236-V268 HydrophobicContact CB-CG2 4Å; K236-V268 HydrophobicContact CD-CG2 3.92Å; K236-V268 HydrophobicContact CG-CG2 3.83Å
237E89.7Confident94.8Very high117 Ų11742.2 Ų42.255%0.54721%0.21SC..Hα-helixtrans-59.5-38177-72.2173.9-168.800112.1N233 V234 R239N233-E237 PolarHBondContact O-N 3.38Å; V234-E237 PolarHBondContact O-N 3.33Å; E237-R239 PolarHBondContact O-N 3.42Å
238A90.8Very high94.9Very high29 Ų2942.2 Ų42.224%0.2421%0.21CC..THydrogen-bonded Turntrans-73.8-2.1173.700000114.4I207 I211 V234 L235 K236 I240I207-A238 HydrophobicContact CG2-CB 3.76Å; I211-A238 HydrophobicContact CD1-CB 4.2Å; V234-A238 WeakPolarHBondContact O-CB 3.24Å; V234-A238 PolarHBondContact O-N 3.03Å; L235-A238 PolarHBondContact O-N 2.98Å; K236-A238 VanDerWaalsContact C-N 3.27Å; K236-A238 PolarHBondContact O-N 2.71Å; A238-I240 VanDerWaalsContact C-N 3.25Å; A238-I240 HydrophobicContact CB-CD1 3.96Å; A238-I240 HydrophobicContact CB-CG1 3.9Å; A238-I240 PolarHBondContact O-N 2.84Å
239R90.5Very high94.9Very high167 Ų16744.8 Ų44.863%0.6323%0.225SC*.THydrogen-bonded Turntrans56.531.4-174.1-50.3-168.783.7-154.93.1114.4L235 K236 E237 F241L235-R239 PolarHBondContact O-N 2.88Å; K236-R239 WeakPolarHBondContact O-CA 3.4Å; K236-R239 PolarHBondContact O-N 3.24Å; E237-R239 PolarHBondContact O-N 3.42Å; R239-F241 HydrophobicContact CB-CE1 4.22Å; R239-F241 HydrophobicContact CB-CE2 4.33Å; R239-F241 HydrophobicContact CB-CZ 3.91Å; R239-F241 HydrophobicContact CG-CZ 4.24Å; R239-F241 PolarHBondContact O-N 2.94Å
240I93.7Very high94.9Very high38 Ų3848.6 Ų48.620%0.19524%0.238CC..  trans-96.368.1175.9-48.2176.2000108.7W208 I211 L235 A238 D242 R243 A244W208-I240 HydrophobicContact CH2-CD1 3.53Å; W208-I240 HydrophobicContact CZ3-CD1 3.61Å; I211-I240 HydrophobicContact CD1-CD1 4.32Å; L235-I240 HydrophobicContact CD2-CB 4.1Å; L235-I240 HydrophobicContact CD2-CD1 4.08Å; L235-I240 HydrophobicContact CD2-CG2 4.38Å; L235-I240 PolarHBondContact O-N 3.16Å; A238-I240 VanDerWaalsContact C-N 3.25Å; A238-I240 HydrophobicContact CB-CD1 3.96Å; A238-I240 HydrophobicContact CB-CG1 3.9Å; A238-I240 PolarHBondContact O-N 2.84Å; I240-D242 PolarHBondContact O-N 2.95Å; I240-R243 HydrophobicContact CG2-CB 4.07Å; I240-R243 HydrophobicContact CG2-CG 4.22Å; I240-R243 PolarHBondContact O-N 3.43Å; I240-A244 PolarHBondContact O-N 2.88Å; I240-A244 VanDerWaalsContact O-N 3.07Å
241F93.8Very high94.9Very high32 Ų3246.1 Ų46.114%0.1423%0.225CC..Hα-helixtrans-61.6-42.1-163.7-60-48.6000114.6R239 R243 A244 V245 V268 E271 Q272R239-F241 HydrophobicContact CB-CE1 4.22Å; R239-F241 HydrophobicContact CB-CE2 4.33Å; R239-F241 HydrophobicContact CB-CZ 3.91Å; R239-F241 HydrophobicContact CG-CZ 4.24Å; R239-F241 PolarHBondContact O-N 2.94Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 3.45Å; F241-A244 WeakPolarHBondContact O-CB 3.42Å; F241-A244 PolarHBondContact O-N 3.44Å; F241-A244 VanDerWaalsContact O-N 3.1Å; F241-V245 WeakPolarHBondContact O-CG2 3.33Å; F241-V245 PolarHBondContact O-N 3.24Å; F241-V268 HydrophobicContact CB-CG1 3.72Å; F241-V268 HydrophobicContact CD1-CG1 3.7Å; F241-V268 HydrophobicContact CG-CG1 4.02Å; F241-E271 HydrophobicContact CE1-CB 4.05Å; F241-E271 VanDerWaalsContact CE1-OE2 3.26Å; F241-E271 WeakPolarHBondContact CE1-OE2 3.29Å; F241-E271 HydrophobicContact CE2-CB 4.41Å; F241-E271 HydrophobicContact CZ-CB 3.81Å; F241-E271 WeakPolarHBondContact CZ-OE2 3.14Å; F241-Q272 HydrophobicContact CB-CG 3.72Å; F241-Q272 HydrophobicContact CD2-CG 3.75Å; F241-Q272 HydrophobicContact CG-CG 3.86Å
242D92.9Very high94.8Very high127 Ų12746.4 Ų46.468%0.67923%0.226SC*.Hα-helixtrans-60.3-39.4-177.8-59.6-31.2000112.2I240 A246 Q272I240-D242 PolarHBondContact O-N 2.95Å; D242-A246 PolarHBondContact O-N 3.32Å; D242-A246 VanDerWaalsContact O-N 3.16Å; D242-Q272 PolarHBondContact OD1-NE2 3.37Å
243R95.6Very high94.8Very high92 Ų9249.7 Ų49.735%0.34725%0.249SC..Hα-helixtrans-75.9-35.1177-70.3172.559.3-157.42.1111.6E215 L235 I240 F241 A246 A247E215-R243 IonicContact OE1-CZ 2.99Å; E215-R243 IonicContact OE1-NE 2.75Å; E215-R243 IonicContact OE1-NH2 2.68Å; E215-R243 PolarHBondContact OE1-NH2 3.11Å; E215-R243 IonicContact OE2-NH2 3.64Å; E215-R243 PolarHBondContact OE2-NH2 3.34Å; L235-R243 HydrophobicContact CD1-CB 3.78Å; L235-R243 HydrophobicContact CD2-CB 4.14Å; I240-R243 HydrophobicContact CG2-CB 4.07Å; I240-R243 HydrophobicContact CG2-CG 4.22Å; I240-R243 PolarHBondContact O-N 3.43Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 3.45Å; R243-A246 PolarHBondContact O-N 2.85Å; R243-A247 PolarHBondContact O-N 3.04Å
244A96.5Very high94.7Very high0 Ų050.4 Ų50.40%025%0.253CS..Hα-helixtrans-61.1-46.4174.200000111.1L235 K236 I240 F241 A246 A247 Y248 V268L235-A244 HydrophobicContact CB-CB 3.73Å; K236-A244 HydrophobicContact CB-CB 4.39Å; I240-A244 PolarHBondContact O-N 2.88Å; I240-A244 VanDerWaalsContact O-N 3.07Å; F241-A244 WeakPolarHBondContact O-CB 3.42Å; F241-A244 PolarHBondContact O-N 3.44Å; F241-A244 VanDerWaalsContact O-N 3.1Å; A244-A246 PolarHBondContact O-N 3.27Å; A244-A247 PolarHBondContact O-N 2.92Å; A244-Y248 HydrophobicContact CB-CE2 4.34Å; A244-Y248 WeakPolarHBondContact O-CD2 3.29Å; A244-Y248 PolarHBondContact O-N 3.16Å; A244-V268 HydrophobicContact CB-CG2 4.34Å
245V96.4Very high94.7Very high17 Ų1752.2 Ų52.210%0.10327%0.266CS..Hα-helixtrans-57.5-47.8174.7170.90000110.6F241 A247 Y248 L249 L265 V268 Y269F241-V245 WeakPolarHBondContact O-CG2 3.33Å; F241-V245 PolarHBondContact O-N 3.24Å; V245-A247 VanDerWaalsContact C-N 3.34Å; V245-A247 PolarHBondContact O-N 3.37Å; V245-Y248 PolarHBondContact O-N 2.94Å; V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.16Å; V245-L249 WeakPolarHBondContact O-CB 3.43Å; V245-L249 VanDerWaalsContact O-CG 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.14Å; V245-L249 PolarHBondContact O-N 3.45Å; V245-L265 HydrophobicContact CB-CD1 4.22Å; V245-L265 HydrophobicContact CG1-CD1 4.07Å; V245-L265 HydrophobicContact CG2-CD1 3.95Å; V245-V268 HydrophobicContact CG2-CB 4.39Å; V245-V268 HydrophobicContact CG2-CG1 3.65Å; V245-Y269 HydrophobicContact CG1-CE1 3.98Å; V245-Y269 HydrophobicContact CG2-CD1 4.27Å; V245-Y269 HydrophobicContact CG2-CE1 3.79Å
246A96Very high94.5Very high58 Ų5856 Ų5648%0.47929%0.29SS..Hα-helixtrans-59.6-42.6178.200000112.6D242 R243 A244 R250D242-A246 PolarHBondContact O-N 3.32Å; D242-A246 VanDerWaalsContact O-N 3.16Å; R243-A246 PolarHBondContact O-N 2.85Å; A244-A246 PolarHBondContact O-N 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.3Å; A246-R250 PolarHBondContact O-N 3.4Å
247A96.7Very high94.5Very high6 Ų659 Ų595%0.0531%0.308CS..Hα-helixtrans-64.5-45.2177.300000112.1L231 L235 R243 A244 V245 R250 A251L231-A247 HydrophobicContact CB-CB 4.41Å; L231-A247 HydrophobicContact CD2-CB 4.29Å; L231-A247 HydrophobicContact CG-CB 4.17Å; L235-A247 HydrophobicContact CD1-CB 4.41Å; R243-A247 PolarHBondContact O-N 3.04Å; A244-A247 PolarHBondContact O-N 2.92Å; V245-A247 VanDerWaalsContact C-N 3.34Å; V245-A247 PolarHBondContact O-N 3.37Å; A247-R250 PolarHBondContact O-N 2.84Å; A247-A251 PolarHBondContact O-N 2.9Å
248Y97.5Very high94.7Very high0 Ų056.3 Ų56.30%030%0.296CS..Hα-helixtrans-66.8-42.6177.1-67.9-47.9000113G232 N233 A244 V245 R250 A251 L252 V261 N264 L265 V268G232-Y248 PolarHBondContact O-OH 3.19Å; N233-Y248 VanDerWaalsContact CA-OH 3.24Å; N233-Y248 WeakPolarHBondContact CA-OH 3.3Å; N233-Y248 PolarHBondContact N-OH 3.13Å; N233-Y248 WeakPolarHBondContact OD1-CE1 3.22Å; N233-Y248 PolarHBondContact OD1-OH 3.4Å; A244-Y248 HydrophobicContact CB-CE2 4.34Å; A244-Y248 WeakPolarHBondContact O-CD2 3.29Å; A244-Y248 PolarHBondContact O-N 3.16Å; V245-Y248 PolarHBondContact O-N 2.94Å; Y248-R250 PolarHBondContact O-N 3.35Å; Y248-A251 WeakPolarHBondContact O-CB 3.27Å; Y248-A251 PolarHBondContact O-N 3.02Å; Y248-L252 WeakPolarHBondContact O-CG 3.43Å; Y248-L252 PolarHBondContact O-N 2.76Å; Y248-V261 HydrophobicContact CD1-CG1 3.83Å; Y248-V261 HydrophobicContact CG-CG1 4.26Å; Y248-N264 HydrophobicContact CE1-CB 3.96Å; Y248-N264 HydrophobicContact CE2-CB 4.23Å; Y248-L265 HydrophobicContact CD2-CB 4.22Å; Y248-L265 HydrophobicContact CD2-CD1 4.21Å; Y248-L265 HydrophobicContact CG-CB 4.4Å; Y248-V268 HydrophobicContact CE2-CG2 3.91Å
249L96.7Very high94.9Very high86 Ų8655.3 Ų55.345%0.4529%0.288SS..Hα-helixtrans-61.6-36.5175.7-72177000111.2V245 L252 S253 L265V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.16Å; V245-L249 WeakPolarHBondContact O-CB 3.43Å; V245-L249 VanDerWaalsContact O-CG 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.14Å; V245-L249 PolarHBondContact O-N 3.45Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-S253 PolarHBondContact O-N 3.49Å; L249-L265 HydrophobicContact CD2-CD2 3.89Å; L249-L265 HydrophobicContact CG-CD2 4.49Å
250R96.4Very high95Very high98 Ų9850.1 Ų50.137%0.3728%0.275SS..Hα-helixtrans-67.4-43.7174.2-172.559-177.8173.45.6111.7P222 Y228 A246 A247 Y248 L252 S253 L254P222-R250 PolarHBondContact O-NH2 3.14Å; Y228-R250 HydrophobicContact CD1-CB 3.97Å; Y228-R250 HydrophobicContact CD1-CG 3.83Å; Y228-R250 HydrophobicContact CD2-CG 3.97Å; Y228-R250 HydrophobicContact CE1-CB 3.98Å; Y228-R250 HydrophobicContact CE1-CG 3.46Å; Y228-R250 VanDerWaalsContact CE1-CG 3.46Å; Y228-R250 HydrophobicContact CE2-CG 3.59Å; Y228-R250 HydrophobicContact CG-CB 4.34Å; Y228-R250 HydrophobicContact CG-CG 4.07Å; A246-R250 WeakPolarHBondContact O-CB 3.3Å; A246-R250 PolarHBondContact O-N 3.4Å; A247-R250 PolarHBondContact O-N 2.84Å; Y248-R250 PolarHBondContact O-N 3.35Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.91Å; R250-S253 WeakPolarHBondContact O-CB 3.2Å; R250-S253 PolarHBondContact O-N 3.44Å; R250-S253 VanDerWaalsContact O-N 3.14Å; R250-S253 PolarHBondContact O-OG 2.85Å; R250-L254 PolarHBondContact O-N 3.12Å
251A96.2Very high95.1Very high0 Ų048.3 Ų48.30%027%0.265CS..Hα-helixtrans-57.4-43.4171.900000112.1L225 I229 A247 Y248 S253 L254 S255 V261L225-A251 HydrophobicContact CD1-CB 3.8Å; L225-A251 VanDerWaalsContact CD1-O 3.31Å; L225-A251 WeakPolarHBondContact CD1-O 3.26Å; I229-A251 HydrophobicContact CG1-CB 3.86Å; A247-A251 PolarHBondContact O-N 2.9Å; Y248-A251 WeakPolarHBondContact O-CB 3.27Å; Y248-A251 PolarHBondContact O-N 3.02Å; A251-S253 VanDerWaalsContact C-N 3.32Å; A251-S253 PolarHBondContact O-N 3.32Å; A251-L254 WeakPolarHBondContact O-CB 3.42Å; A251-L254 PolarHBondContact O-N 3.07Å; A251-L254 VanDerWaalsContact O-N 3.14Å; A251-S255 PolarHBondContact O-N 3.04Å; A251-V261 HydrophobicContact CB-CG1 4.26Å
252L95.5Very high95.3Very high15 Ų1548 Ų488%0.07926%0.264CS..Hα-helixtrans-68.3-27.9176.4-69.6174.3000113.1Y248 L249 R250 L254 S255 P256 H258 V261 H262 L265Y248-L252 WeakPolarHBondContact O-CG 3.43Å; Y248-L252 PolarHBondContact O-N 2.76Å; L249-L252 PolarHBondContact O-N 3.43Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.91Å; L252-L254 VanDerWaalsContact C-N 3.26Å; L252-L254 PolarHBondContact O-N 3.03Å; L252-S255 CarbonylContact O-C 3.59Å; L252-P256 WeakPolarHBondContact O-CA 3.49Å; L252-P256 WeakPolarHBondContact O-CD 3.4Å; L252-P256 WeakPolarHBondContact O-CG 3.33Å; L252-H258 HydrophobicContact CD2-CB 4.33Å; L252-V261 HydrophobicContact CD1-CG1 4.18Å; L252-V261 HydrophobicContact CD2-CB 3.9Å; L252-V261 HydrophobicContact CD2-CG1 3.78Å; L252-V261 HydrophobicContact CG-CB 4.34Å; L252-V261 HydrophobicContact CG-CG1 3.64Å; L252-H262 WeakPolarHBondContact CD2-NE2 3.3Å; L252-L265 HydrophobicContact CD1-CD2 3.89Å
253S95.6Very high95.4Very high69 Ų6942.1 Ų42.148%0.48323%0.234SC..Hα-helixtrans-67.6-29.1172.177.80000112.7L249 R250 A251L249-S253 PolarHBondContact O-N 3.49Å; R250-S253 WeakPolarHBondContact O-CB 3.2Å; R250-S253 PolarHBondContact O-N 3.44Å; R250-S253 VanDerWaalsContact O-N 3.14Å; R250-S253 PolarHBondContact O-OG 2.85Å; A251-S253 VanDerWaalsContact C-N 3.32Å; A251-S253 PolarHBondContact O-N 3.32Å
254L94.3Very high95.4Very high57 Ų5739.5 Ų39.530%0.29823%0.226SC..Hα-helixtrans-83.9-37.1175.9-62.6171.6000111.6N223 L225 Y228 R250 A251 L252N223-L254 HydrophobicContact CB-CD2 4.38Å; L225-L254 HydrophobicContact CB-CD1 4.39Å; L225-L254 HydrophobicContact CD1-CB 4.19Å; Y228-L254 HydrophobicContact CD2-CD1 3.93Å; Y228-L254 HydrophobicContact CE2-CD1 4.2Å; R250-L254 PolarHBondContact O-N 3.12Å; A251-L254 WeakPolarHBondContact O-CB 3.42Å; A251-L254 PolarHBondContact O-N 3.07Å; A251-L254 VanDerWaalsContact O-N 3.14Å; L252-L254 VanDerWaalsContact C-N 3.26Å; L252-L254 PolarHBondContact O-N 3.03Å
255S93.9Very high95.4Very high39 Ų3939.7 Ų39.727%0.27323%0.227SC..  trans-137.589.6175.8-1710000111.7A251 L252 N257 H258A251-S255 PolarHBondContact O-N 3.04Å; L252-S255 CarbonylContact O-C 3.59Å; S255-N257 PolarHBondContact O-N 2.91Å; S255-H258 PolarHBondContact O-N 2.78Å
256P92.8Very high95.4Very high80 Ų8038.9 Ų38.952%0.51922%0.222SC..THydrogen-bonded Turntrans-63-25.1-173.8-26.835.1000115.4L252 H262L252-P256 WeakPolarHBondContact O-CA 3.49Å; L252-P256 WeakPolarHBondContact O-CD 3.4Å; L252-P256 WeakPolarHBondContact O-CG 3.33Å; P256-H262 PolarHBondContact O-NE2 2.8Å
257N93.5Very high95.3Very high111 Ų11136.8 Ų36.859%0.59420%0.204SC*.THydrogen-bonded Turntrans-98.723.7-173.5-66.7-22.4000113.1S255 A259 L288S255-N257 PolarHBondContact O-N 2.91Å; N257-A259 PolarHBondContact O-N 3.22Å; N257-L288 HydrophobicContact CB-CD2 3.94Å
258H93.8Very high95.3Very high61 Ų6136.5 Ų36.528%0.28220%0.202SC..  trans-86.492.5-178.9-158.9-45000112.1L252 S255 V260 V261 H262L252-H258 HydrophobicContact CD2-CB 4.33Å; S255-H258 PolarHBondContact O-N 2.78Å; H258-V260 PolarHBondContact O-N 2.87Å; H258-V261 HydrophobicContact CB-CB 4.21Å; H258-V261 HydrophobicContact CB-CG2 4.09Å; H258-V261 PolarHBondContact O-N 2.89Å; H258-V261 VanDerWaalsContact O-N 3.11Å; H258-H262 PolarHBondContact O-CD2 3.35Å; H258-H262 PolarHBondContact O-N 3.09Å
259A94.2Very high95.2Very high8 Ų837.8 Ų37.87%0.06621%0.207CC..Hα-helixtrans-53.1-46-175.100000114.3N257 V261 H262 G263 A285 L288 Q289N257-A259 PolarHBondContact O-N 3.22Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 3.21Å; A259-H262 WeakPolarHBondContact O-CB 3.33Å; A259-H262 PolarHBondContact O-N 3.47Å; A259-G263 PolarHBondContact O-N 2.77Å; A259-A285 WeakPolarHBondContact O-CB 3.41Å; A259-L288 HydrophobicContact CB-CB 3.8Å; A259-Q289 HydrophobicContact CB-CB 3.56Å
260V93.8Very high95.1Very high59 Ų5937 Ų3736%0.35820%0.199SC..Hα-helixtrans-61-37.2179.9-179.70000112.4H258 G263 N264 F292H258-V260 PolarHBondContact O-N 2.87Å; V260-G263 PolarHBondContact O-N 3.12Å; V260-N264 PolarHBondContact O-N 3.36Å; V260-F292 HydrophobicContact CG2-CZ 4.5Å
261V95.4Very high94.9Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-70.7-40.2178.8178.20000110.7I229 Y248 A251 L252 H258 A259 G263 N264 L265I229-V261 HydrophobicContact CD1-CG2 3.66Å; I229-V261 HydrophobicContact CG1-CG2 3.68Å; I229-V261 HydrophobicContact CG2-CG2 4.35Å; Y248-V261 HydrophobicContact CD1-CG1 3.83Å; Y248-V261 HydrophobicContact CG-CG1 4.26Å; A251-V261 HydrophobicContact CB-CG1 4.26Å; L252-V261 HydrophobicContact CD1-CG1 4.18Å; L252-V261 HydrophobicContact CD2-CB 3.9Å; L252-V261 HydrophobicContact CD2-CG1 3.78Å; L252-V261 HydrophobicContact CG-CB 4.34Å; L252-V261 HydrophobicContact CG-CG1 3.64Å; H258-V261 HydrophobicContact CB-CB 4.21Å; H258-V261 HydrophobicContact CB-CG2 4.09Å; H258-V261 PolarHBondContact O-N 2.89Å; H258-V261 VanDerWaalsContact O-N 3.11Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 3.21Å; V261-G263 VanDerWaalsContact C-N 3.32Å; V261-G263 PolarHBondContact O-N 3.3Å; V261-N264 PolarHBondContact O-N 3.28Å; V261-L265 VanDerWaalsContact O-CB 3.27Å; V261-L265 WeakPolarHBondContact O-CB 3.24Å; V261-L265 PolarHBondContact O-N 3.14Å
262H97Very high94.7Very high25 Ų2539.2 Ų39.212%0.11621%0.213CC..Hα-helixtrans-58.4-45170-77.4-75.6000111.1L252 P256 H258 A259 N264 L265 A266 T281 A285 L288L252-H262 WeakPolarHBondContact CD2-NE2 3.3Å; P256-H262 PolarHBondContact O-NE2 2.8Å; H258-H262 PolarHBondContact O-CD2 3.35Å; H258-H262 PolarHBondContact O-N 3.09Å; A259-H262 WeakPolarHBondContact O-CB 3.33Å; A259-H262 PolarHBondContact O-N 3.47Å; H262-N264 PolarHBondContact O-N 2.83Å; H262-L265 PolarHBondContact O-N 2.98Å; H262-A266 WeakPolarHBondContact O-CB 3.43Å; H262-A266 PolarHBondContact O-N 3.49Å; H262-T281 HydrophobicContact CB-CG2 4.28Å; H262-T281 VanDerWaalsContact O-CG2 3.29Å; H262-T281 WeakPolarHBondContact O-CG2 3.36Å; H262-A285 HydrophobicContact CB-CB 3.78Å; H262-L288 VanDerWaalsContact CD2-CD1 3.45Å; H262-L288 WeakPolarHBondContact CD2-CD1 3.24Å
263G95Very high94.5Very high4 Ų440.7 Ų40.74%0.04123%0.232CC..Hα-helixtrans-58.8-47.8176.400000113A259 V260 V261 A266 C267A259-G263 PolarHBondContact O-N 2.77Å; V260-G263 PolarHBondContact O-N 3.12Å; V261-G263 VanDerWaalsContact C-N 3.32Å; V261-G263 PolarHBondContact O-N 3.3Å; G263-A266 WeakPolarHBondContact O-CB 3.41Å; G263-A266 PolarHBondContact O-N 3.45Å; G263-C267 PolarHBondContact O-N 3.03Å; G263-C267 PolarHBondContact O-SG 2.95Å
264N95.3Very high94.4Very high36 Ų3641.4 Ų41.419%0.19323%0.23CC..Hα-helixtrans-66.7-38178.8-73.4-6.1000112.7N233 Y248 V260 V261 H262 C267 V268N233-N264 PolarHBondContact OD1-ND2 3.06Å; Y248-N264 HydrophobicContact CE1-CB 3.96Å; Y248-N264 HydrophobicContact CE2-CB 4.23Å; V260-N264 PolarHBondContact O-N 3.36Å; V261-N264 PolarHBondContact O-N 3.28Å; H262-N264 PolarHBondContact O-N 2.83Å; N264-C267 WeakPolarHBondContact O-CB 3.49Å; N264-C267 PolarHBondContact O-N 3Å; N264-V268 PolarHBondContact O-N 3.36Å
265L97Very high94.4Very high4 Ų440 Ų402%0.02122%0.222CC..Hα-helixtrans-63.1-43.8174.1176.959.9000111.3V245 Y248 L249 L252 V261 H262 C267 V268 Y269 T281V245-L265 HydrophobicContact CB-CD1 4.22Å; V245-L265 HydrophobicContact CG1-CD1 4.07Å; V245-L265 HydrophobicContact CG2-CD1 3.95Å; Y248-L265 HydrophobicContact CD2-CB 4.22Å; Y248-L265 HydrophobicContact CD2-CD1 4.21Å; Y248-L265 HydrophobicContact CG-CB 4.4Å; L249-L265 HydrophobicContact CD2-CD2 3.89Å; L249-L265 HydrophobicContact CG-CD2 4.49Å; L252-L265 HydrophobicContact CD1-CD2 3.89Å; V261-L265 VanDerWaalsContact O-CB 3.27Å; V261-L265 WeakPolarHBondContact O-CB 3.24Å; V261-L265 PolarHBondContact O-N 3.14Å; H262-L265 PolarHBondContact O-N 2.98Å; L265-C267 VanDerWaalsContact C-N 3.29Å; L265-C267 PolarHBondContact O-N 3.04Å; L265-V268 WeakPolarHBondContact O-CB 3.41Å; L265-V268 PolarHBondContact O-N 3.06Å; L265-Y269 HydrophobicContact CD1-CD2 4.33Å; L265-Y269 HydrophobicContact CD1-CE1 4.2Å; L265-Y269 HydrophobicContact CD1-CE2 3.74Å; L265-Y269 HydrophobicContact CD2-CE2 3.92Å; L265-Y269 HydrophobicContact CG-CD2 4.06Å; L265-Y269 HydrophobicContact CG-CE2 3.54Å; L265-Y269 PolarHBondContact O-N 3.05Å; L265-T281 HydrophobicContact CB-CG2 4.38Å; L265-T281 HydrophobicContact CD2-CG2 4.25Å; L265-T281 HydrophobicContact CG-CG2 4.28Å
266A96.5Very high94.4Very high0 Ų042.6 Ų42.60%023%0.233CC..Hα-helixtrans-60.7-37.5175.900000112.1H262 G263 V268 Y269 Y270 A278 T281 Y282H262-A266 WeakPolarHBondContact O-CB 3.43Å; H262-A266 PolarHBondContact O-N 3.49Å; G263-A266 WeakPolarHBondContact O-CB 3.41Å; G263-A266 PolarHBondContact O-N 3.45Å; A266-V268 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 3.38Å; A266-Y269 PolarHBondContact O-N 3.38Å; A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 3.03Å; A266-A278 WeakPolarHBondContact O-CB 3.44Å; A266-T281 HydrophobicContact CB-CG2 3.87Å; A266-Y282 HydrophobicContact CB-CD1 3.4Å; A266-Y282 VanDerWaalsContact CB-CD1 3.4Å; A266-Y282 HydrophobicContact CB-CD2 3.78Å; A266-Y282 HydrophobicContact CB-CE1 3.4Å; A266-Y282 VanDerWaalsContact CB-CE1 3.4Å; A266-Y282 HydrophobicContact CB-CE2 3.79Å; A266-Y282 HydrophobicContact CB-CG 3.57Å
267C94.9Very high94.6Very high15 Ų1542.3 Ų42.310%0.10123%0.227CC..Hα-helixtrans-59.6-42.1171.7-62.10000112.3G263 N264 L265 Y270 E271 Y282G263-C267 PolarHBondContact O-N 3.03Å; G263-C267 PolarHBondContact O-SG 2.95Å; N264-C267 WeakPolarHBondContact O-CB 3.49Å; N264-C267 PolarHBondContact O-N 3Å; L265-C267 VanDerWaalsContact C-N 3.29Å; L265-C267 PolarHBondContact O-N 3.04Å; C267-Y270 WeakPolarHBondContact O-CB 3.46Å; C267-Y270 PolarHBondContact O-N 2.86Å; C267-E271 WeakPolarHBondContact O-CG 3.48Å; C267-E271 PolarHBondContact O-N 3.45Å; C267-Y282 WeakPolarHBondContact CA-OH 3.44Å; C267-Y282 PolarHBondContact N-OH 3.39Å; C267-Y282 PolarHBondContact SG-OH 2.84Å
268V95.5Very high94.7Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-65.6-43.4178.2177.60000111.1K236 F241 A244 V245 Y248 N264 L265 A266 Y270 E271 Q272K236-V268 HydrophobicContact CB-CG2 4Å; K236-V268 HydrophobicContact CD-CG2 3.92Å; K236-V268 HydrophobicContact CG-CG2 3.83Å; F241-V268 HydrophobicContact CB-CG1 3.72Å; F241-V268 HydrophobicContact CD1-CG1 3.7Å; F241-V268 HydrophobicContact CG-CG1 4.02Å; A244-V268 HydrophobicContact CB-CG2 4.34Å; V245-V268 HydrophobicContact CG2-CB 4.39Å; V245-V268 HydrophobicContact CG2-CG1 3.65Å; Y248-V268 HydrophobicContact CE2-CG2 3.91Å; N264-V268 PolarHBondContact O-N 3.36Å; L265-V268 WeakPolarHBondContact O-CB 3.41Å; L265-V268 PolarHBondContact O-N 3.06Å; A266-V268 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 3.38Å; V268-Y270 VanDerWaalsContact C-N 3.29Å; V268-Y270 PolarHBondContact O-N 2.82Å; V268-E271 PolarHBondContact O-N 2.79Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 2.87Å
269Y96.4Very high94.9Very high26 Ų2634.3 Ų34.310%0.10219%0.186CC..Hα-helixtrans-61.7-38.9175.2-68.6-36.5000112.7V245 L265 A266 Q272 G273 L274 L277V245-Y269 HydrophobicContact CG1-CE1 3.98Å; V245-Y269 HydrophobicContact CG2-CD1 4.27Å; V245-Y269 HydrophobicContact CG2-CE1 3.79Å; L265-Y269 HydrophobicContact CD1-CD2 4.33Å; L265-Y269 HydrophobicContact CD1-CE1 4.2Å; L265-Y269 HydrophobicContact CD1-CE2 3.74Å; L265-Y269 HydrophobicContact CD2-CE2 3.92Å; L265-Y269 HydrophobicContact CG-CD2 4.06Å; L265-Y269 HydrophobicContact CG-CE2 3.54Å; L265-Y269 PolarHBondContact O-N 3.05Å; A266-Y269 PolarHBondContact O-N 3.38Å; Y269-Q272 PolarHBondContact O-N 3.23Å; Y269-G273 PolarHBondContact O-N 3.4Å; Y269-L274 HydrophobicContact CD1-CD1 4.03Å; Y269-L274 PolarHBondContact O-N 3.16Å; Y269-L277 HydrophobicContact CD1-CD2 3.72Å; Y269-L277 HydrophobicContact CD1-CG 4.41Å; Y269-L277 HydrophobicContact CD2-CB 4.33Å; Y269-L277 HydrophobicContact CD2-CD2 3.7Å; Y269-L277 HydrophobicContact CD2-CG 3.55Å; Y269-L277 HydrophobicContact CE1-CD2 3.54Å; Y269-L277 HydrophobicContact CE1-CG 4.47Å; Y269-L277 HydrophobicContact CE2-CD1 4.37Å; Y269-L277 HydrophobicContact CE2-CD2 3.5Å; Y269-L277 HydrophobicContact CE2-CG 3.59Å; Y269-L277 HydrophobicContact CG-CB 4.44Å; Y269-L277 HydrophobicContact CG-CD2 3.79Å; Y269-L277 HydrophobicContact CG-CG 3.97Å; Y269-L277 VanDerWaalsContact CZ-CD2 3.42Å
270Y94.7Very high95Very high70 Ų7038.4 Ų38.428%0.27521%0.207SC..Hα-helixtrans-61.5-48174.1-178.8-104.3000111.4A266 C267 V268 Q272 G273 I275 A302 E305A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 3.03Å; C267-Y270 WeakPolarHBondContact O-CB 3.46Å; C267-Y270 PolarHBondContact O-N 2.86Å; V268-Y270 VanDerWaalsContact C-N 3.29Å; V268-Y270 PolarHBondContact O-N 2.82Å; Y270-Q272 VanDerWaalsContact C-N 3.26Å; Y270-Q272 PolarHBondContact O-N 3.49Å; Y270-G273 PolarHBondContact O-N 2.84Å; Y270-I275 HydrophobicContact CD2-CD1 3.77Å; Y270-I275 HydrophobicContact CE2-CD1 3.86Å; Y270-A302 HydrophobicContact CD2-CB 3.79Å; Y270-A302 HydrophobicContact CE2-CB 4Å; Y270-E305 WeakPolarHBondContact CE2-OE2 3.46Å; Y270-E305 PolarHBondContact OH-OE2 3.12Å
271E91.9Very high95.1Very high80 Ų8036.3 Ų36.337%0.37419%0.194SC..Hα-helixtrans-65-25.4177.7-73.3-174-13600114F241 C267 V268 G273F241-E271 HydrophobicContact CE1-CB 4.05Å; F241-E271 VanDerWaalsContact CE1-OE2 3.26Å; F241-E271 WeakPolarHBondContact CE1-OE2 3.29Å; F241-E271 HydrophobicContact CE2-CB 4.41Å; F241-E271 HydrophobicContact CZ-CB 3.81Å; F241-E271 WeakPolarHBondContact CZ-OE2 3.14Å; C267-E271 WeakPolarHBondContact O-CG 3.48Å; C267-E271 PolarHBondContact O-N 3.45Å; V268-E271 PolarHBondContact O-N 2.79Å; E271-G273 VanDerWaalsContact C-N 3.3Å
272Q92Very high95.3Very high65 Ų6536.5 Ų36.530%0.30420%0.195SC..THydrogen-bonded Turntrans-81.3-4.8172.1-71.3-175.1-5200113.5F241 D242 V268 Y269 Y270 L274F241-Q272 HydrophobicContact CB-CG 3.72Å; F241-Q272 HydrophobicContact CD2-CG 3.75Å; F241-Q272 HydrophobicContact CG-CG 3.86Å; D242-Q272 PolarHBondContact OD1-NE2 3.37Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 2.87Å; Y269-Q272 PolarHBondContact O-N 3.23Å; Y270-Q272 VanDerWaalsContact C-N 3.26Å; Y270-Q272 PolarHBondContact O-N 3.49Å; Q272-L274 VanDerWaalsContact C-N 3.33Å; Q272-L274 HydrophobicContact CB-CD1 4.36Å; Q272-L274 HydrophobicContact CB-CG 4.28Å
273G90.7Very high95.3Very high46 Ų4640.2 Ų40.247%0.47421%0.208SC..THydrogen-bonded Turntrans78.711.6-176.300000114.4Y269 Y270 E271 I275Y269-G273 PolarHBondContact O-N 3.4Å; Y270-G273 PolarHBondContact O-N 2.84Å; E271-G273 VanDerWaalsContact C-N 3.3Å; G273-I275 PolarHBondContact O-N 2.84Å
274L94.3Very high95.3Very high84 Ų8444.9 Ų44.944%0.4423%0.225SC..  trans-84.864.8176.5-60.7174.6000110.1Y269 Q272 D276 L277 A278Y269-L274 HydrophobicContact CD1-CD1 4.03Å; Y269-L274 PolarHBondContact O-N 3.16Å; Q272-L274 VanDerWaalsContact C-N 3.33Å; Q272-L274 HydrophobicContact CB-CD1 4.36Å; Q272-L274 HydrophobicContact CB-CG 4.28Å; L274-D276 PolarHBondContact O-N 2.96Å; L274-L277 HydrophobicContact CB-CB 4.3Å; L274-L277 HydrophobicContact CD1-CD2 4.46Å; L274-L277 PolarHBondContact O-N 3.32Å; L274-A278 PolarHBondContact O-N 2.89Å
275I93.7Very high95.4Very high27 Ų2743.2 Ų43.214%0.13822%0.215CC..Hα-helixtrans-59.2-43.8-167.1-54.6-56000113.2Y270 G273 L277 A278 I279 A302 E305 K306Y270-I275 HydrophobicContact CD2-CD1 3.77Å; Y270-I275 HydrophobicContact CE2-CD1 3.86Å; G273-I275 PolarHBondContact O-N 2.84Å; I275-L277 PolarHBondContact O-N 3.36Å; I275-A278 WeakPolarHBondContact O-CB 3.37Å; I275-A278 PolarHBondContact O-N 2.9Å; I275-I279 HydrophobicContact CG2-CD1 3.91Å; I275-I279 WeakPolarHBondContact O-CG1 3.46Å; I275-I279 PolarHBondContact O-N 3.23Å; I275-A302 HydrophobicContact CG2-CB 4.41Å; I275-A302 WeakPolarHBondContact CG2-O 3.3Å; I275-E305 HydrophobicContact CD1-CG 4.37Å; I275-K306 HydrophobicContact CG2-CB 4.12Å
276D95.1Very high95.3Very high93 Ų9343.8 Ų43.850%0.49722%0.219SC..Hα-helixtrans-63-43.7179.7-71-43.1000112L274 A278 I279 D280 K306L274-D276 PolarHBondContact O-N 2.96Å; D276-A278 VanDerWaalsContact C-N 3.33Å; D276-A278 PolarHBondContact O-N 2.91Å; D276-I279 PolarHBondContact O-N 2.95Å; D276-D280 PolarHBondContact O-N 2.71Å; D276-K306 VanDerWaalsContact OD1-CE 3.27Å; D276-K306 WeakPolarHBondContact OD1-CE 3.44Å; D276-K306 IonicContact OD1-NZ 2.88Å; D276-K306 PolarHBondContact OD1-NZ 2.94Å
277L95.2Very high95.3Very high74 Ų7449.9 Ų49.939%0.38725%0.247SC..Hα-helixtrans-67.2-37.2179-170.362.1000111.4Y269 L274 I275 T281Y269-L277 HydrophobicContact CD1-CD2 3.72Å; Y269-L277 HydrophobicContact CD1-CG 4.41Å; Y269-L277 HydrophobicContact CD2-CB 4.33Å; Y269-L277 HydrophobicContact CD2-CD2 3.7Å; Y269-L277 HydrophobicContact CD2-CG 3.55Å; Y269-L277 HydrophobicContact CE1-CD2 3.54Å; Y269-L277 HydrophobicContact CE1-CG 4.47Å; Y269-L277 HydrophobicContact CE2-CD1 4.37Å; Y269-L277 HydrophobicContact CE2-CD2 3.5Å; Y269-L277 HydrophobicContact CE2-CG 3.59Å; Y269-L277 HydrophobicContact CG-CB 4.44Å; Y269-L277 HydrophobicContact CG-CD2 3.79Å; Y269-L277 HydrophobicContact CG-CG 3.97Å; Y269-L277 VanDerWaalsContact CZ-CD2 3.42Å; L274-L277 HydrophobicContact CB-CB 4.3Å; L274-L277 HydrophobicContact CD1-CD2 4.46Å; L274-L277 PolarHBondContact O-N 3.32Å; I275-L277 PolarHBondContact O-N 3.36Å; L277-T281 VanDerWaalsContact O-CB 3.3Å; L277-T281 WeakPolarHBondContact O-CB 3.46Å; L277-T281 PolarHBondContact O-N 2.8Å; L277-T281 PolarHBondContact O-OG1 3.41Å
278A96.7Very high95.3Very high0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-61.4-47.2173.100000111.4A266 L274 I275 D276 D280 T281 Y282A266-A278 WeakPolarHBondContact O-CB 3.44Å; L274-A278 PolarHBondContact O-N 2.89Å; I275-A278 WeakPolarHBondContact O-CB 3.37Å; I275-A278 PolarHBondContact O-N 2.9Å; D276-A278 VanDerWaalsContact C-N 3.33Å; D276-A278 PolarHBondContact O-N 2.91Å; A278-D280 PolarHBondContact O-N 3.45Å; A278-T281 PolarHBondContact O-N 3.34Å; A278-Y282 HydrophobicContact CB-CD2 4.44Å; A278-Y282 HydrophobicContact CB-CE2 4.2Å; A278-Y282 WeakPolarHBondContact O-CD2 3.33Å; A278-Y282 PolarHBondContact O-N 3.15Å
279I97.2Very high95.3Very high4 Ų455.3 Ų55.32%0.02127%0.272CS..Hα-helixtrans-57.7-50.6178.4-73165.1000111I275 D276 T281 Y282 R283 L299 A302 L303 K306I275-I279 HydrophobicContact CG2-CD1 3.91Å; I275-I279 WeakPolarHBondContact O-CG1 3.46Å; I275-I279 PolarHBondContact O-N 3.23Å; D276-I279 PolarHBondContact O-N 2.95Å; I279-T281 VanDerWaalsContact C-N 3.31Å; I279-T281 PolarHBondContact O-N 3.37Å; I279-Y282 PolarHBondContact O-N 3.42Å; I279-R283 WeakPolarHBondContact O-CG 3.2Å; I279-R283 PolarHBondContact O-N 3.36Å; I279-L299 HydrophobicContact CB-CD1 4.19Å; I279-L299 HydrophobicContact CG1-CD1 4.14Å; I279-L299 HydrophobicContact CG2-CD1 3.9Å; I279-A302 HydrophobicContact CD1-CB 4.45Å; I279-A302 HydrophobicContact CG1-CB 3.79Å; I279-L303 HydrophobicContact CD1-CD2 3.97Å; I279-L303 HydrophobicContact CD1-CG 4.45Å; I279-L303 HydrophobicContact CG1-CD2 4.35Å; I279-L303 HydrophobicContact CG1-CG 4.49Å; I279-L303 HydrophobicContact CG2-CD2 4.33Å; I279-K306 HydrophobicContact CD1-CB 4.29Å; I279-K306 HydrophobicContact CD1-CD 3.61Å
280D96.8Very high95.2Very high95 Ų9558 Ų5851%0.50829%0.293SS..Hα-helixtrans-63.4-39.8-179-71.7-18.7000111.6D276 A278 R283 R284D276-D280 PolarHBondContact O-N 2.71Å; A278-D280 PolarHBondContact O-N 3.45Å; D280-R283 PolarHBondContact O-N 3.1Å; D280-R284 PolarHBondContact O-N 3.31Å
281T96.8Very high95.2Very high15 Ų1560.6 Ų60.69%0.09231%0.307CS..Hα-helixtrans-70.9-38179.5-49.70000111.8H262 L265 A266 L277 A278 I279 R284 A285H262-T281 HydrophobicContact CB-CG2 4.28Å; H262-T281 VanDerWaalsContact O-CG2 3.29Å; H262-T281 WeakPolarHBondContact O-CG2 3.36Å; L265-T281 HydrophobicContact CB-CG2 4.38Å; L265-T281 HydrophobicContact CD2-CG2 4.25Å; L265-T281 HydrophobicContact CG-CG2 4.28Å; A266-T281 HydrophobicContact CB-CG2 3.87Å; L277-T281 VanDerWaalsContact O-CB 3.3Å; L277-T281 WeakPolarHBondContact O-CB 3.46Å; L277-T281 PolarHBondContact O-N 2.8Å; L277-T281 PolarHBondContact O-OG1 3.41Å; A278-T281 PolarHBondContact O-N 3.34Å; I279-T281 VanDerWaalsContact C-N 3.31Å; I279-T281 PolarHBondContact O-N 3.37Å; T281-R284 WeakPolarHBondContact O-CB 3.09Å; T281-R284 PolarHBondContact O-N 2.58Å; T281-A285 PolarHBondContact O-N 3.02Å
282Y97.7Very high95.2Very high3 Ų358.1 Ų58.11%0.01230%0.295CS..Hα-helixtrans-64.1-42.8172.3-77.3-55.3000112A266 C267 A278 I279 R284 A285 I286 N298 L299A266-Y282 HydrophobicContact CB-CD1 3.4Å; A266-Y282 VanDerWaalsContact CB-CD1 3.4Å; A266-Y282 HydrophobicContact CB-CD2 3.78Å; A266-Y282 HydrophobicContact CB-CE1 3.4Å; A266-Y282 VanDerWaalsContact CB-CE1 3.4Å; A266-Y282 HydrophobicContact CB-CE2 3.79Å; A266-Y282 HydrophobicContact CB-CG 3.57Å; C267-Y282 WeakPolarHBondContact CA-OH 3.44Å; C267-Y282 PolarHBondContact N-OH 3.39Å; C267-Y282 PolarHBondContact SG-OH 2.84Å; A278-Y282 HydrophobicContact CB-CD2 4.44Å; A278-Y282 HydrophobicContact CB-CE2 4.2Å; A278-Y282 WeakPolarHBondContact O-CD2 3.33Å; A278-Y282 PolarHBondContact O-N 3.15Å; I279-Y282 PolarHBondContact O-N 3.42Å; Y282-R284 PolarHBondContact O-N 3.27Å; Y282-A285 WeakPolarHBondContact O-CB 3.39Å; Y282-A285 PolarHBondContact O-N 3.11Å; Y282-A285 VanDerWaalsContact O-N 3.12Å; Y282-I286 WeakPolarHBondContact O-CG1 3.4Å; Y282-I286 PolarHBondContact O-N 3.16Å; Y282-N298 HydrophobicContact CD1-CB 4.33Å; Y282-N298 HydrophobicContact CE1-CB 3.59Å; Y282-N298 HydrophobicContact CE2-CB 4.09Å; Y282-N298 VanDerWaalsContact CZ-CB 3.46Å; Y282-N298 WeakPolarHBondContact OH-CB 3.38Å; Y282-L299 HydrophobicContact CD2-CB 4.38Å; Y282-L299 HydrophobicContact CG-CB 4.26Å
283R97.1Very high95.3Very high104 Ų10456.1 Ų56.139%0.39229%0.288SS..Hα-helixtrans-57.8-42.1174.6-76175.3173.4167.6-3.4110.5I279 D280 A285 I286 E287 L299 E311I279-R283 WeakPolarHBondContact O-CG 3.2Å; I279-R283 PolarHBondContact O-N 3.36Å; D280-R283 PolarHBondContact O-N 3.1Å; R283-A285 PolarHBondContact O-N 3.11Å; R283-I286 PolarHBondContact O-N 3.09Å; R283-E287 WeakPolarHBondContact O-CG 3.39Å; R283-E287 PolarHBondContact O-N 3Å; R283-L299 HydrophobicContact CG-CD1 4.41Å; R283-L299 HydrophobicContact CG-CD2 4.07Å; R283-E311 IonicContact NH2-OE2 3.63Å; R283-E311 PolarHBondContact NH2-OE2 3.18Å; R283-E311 VanDerWaalsContact NH2-OE2 3.15Å
284R96.5Very high95.4Very high102 Ų10257.8 Ų57.839%0.38529%0.286SS..Hα-helixtrans-62.5-41175.2-172.957.3-179.4169.23113D280 T281 Y282 I286 E287 L288D280-R284 PolarHBondContact O-N 3.31Å; T281-R284 WeakPolarHBondContact O-CB 3.09Å; T281-R284 PolarHBondContact O-N 2.58Å; Y282-R284 PolarHBondContact O-N 3.27Å; R284-I286 VanDerWaalsContact C-N 3.32Å; R284-I286 PolarHBondContact O-N 3.01Å; R284-E287 IonicContact CZ-OE2 3.16Å; R284-E287 IonicContact NH1-OE2 3.83Å; R284-E287 PolarHBondContact NH1-OE2 3.16Å; R284-E287 PolarHBondContact O-N 2.99Å; R284-L288 HydrophobicContact CG-CD1 4.36Å; R284-L288 VanDerWaalsContact O-CG 3.3Å; R284-L288 WeakPolarHBondContact O-CG 3.33Å; R284-L288 PolarHBondContact O-N 3.02Å
285A96Very high95.4Very high0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-60.4-42.5174.600000111.9A259 H262 T281 Y282 R283 L288 Q289A259-A285 WeakPolarHBondContact O-CB 3.41Å; H262-A285 HydrophobicContact CB-CB 3.78Å; T281-A285 PolarHBondContact O-N 3.02Å; Y282-A285 WeakPolarHBondContact O-CB 3.39Å; Y282-A285 PolarHBondContact O-N 3.11Å; Y282-A285 VanDerWaalsContact O-N 3.12Å; R283-A285 PolarHBondContact O-N 3.11Å; A285-L288 PolarHBondContact O-N 2.89Å; A285-Q289 PolarHBondContact O-N 2.86Å
286I96.5Very high95.6Very high17 Ų1754.5 Ų54.59%0.08727%0.267CS..Hα-helixtrans-70.1-39.3179.8-68.6163.9000111.9Y282 R283 R284 L288 Q289 P290 A295 Y296 L299Y282-I286 WeakPolarHBondContact O-CG1 3.4Å; Y282-I286 PolarHBondContact O-N 3.16Å; R283-I286 PolarHBondContact O-N 3.09Å; R284-I286 VanDerWaalsContact C-N 3.32Å; R284-I286 PolarHBondContact O-N 3.01Å; I286-L288 VanDerWaalsContact C-N 3.27Å; I286-L288 PolarHBondContact O-N 2.92Å; I286-Q289 CarbonylContact O-C 3.52Å; I286-Q289 PolarHBondContact O-N 3.15Å; I286-P290 WeakPolarHBondContact O-CA 2.91Å; I286-P290 VanDerWaalsContact O-N 3.1Å; I286-A295 HydrophobicContact CD1-CB 4.26Å; I286-A295 HydrophobicContact CG1-CB 3.79Å; I286-Y296 HydrophobicContact CD1-CD1 3.93Å; I286-Y296 HydrophobicContact CD1-CD2 4.29Å; I286-Y296 HydrophobicContact CD1-CE1 4.08Å; I286-Y296 HydrophobicContact CD1-CE2 4.43Å; I286-Y296 HydrophobicContact CD1-CG 4.05Å; I286-Y296 HydrophobicContact CG1-CD2 4.35Å; I286-Y296 HydrophobicContact CG1-CE2 4.24Å; I286-Y296 HydrophobicContact CG2-CE1 3.92Å; I286-Y296 HydrophobicContact CG2-CE2 3.77Å; I286-Y296 WeakPolarHBondContact CG2-OH 3.33Å; I286-L299 HydrophobicContact CD1-CB 4.41Å; I286-L299 HydrophobicContact CD1-CD2 3.69Å
287E96.2Very high95.6Very high127 Ų12750.2 Ų50.259%0.59324%0.244SC*.Hα-helixtrans-58.4-41.3173.8-78.2176.9-177.800111.7R283 R284R283-E287 WeakPolarHBondContact O-CG 3.39Å; R283-E287 PolarHBondContact O-N 3Å; R284-E287 IonicContact CZ-OE2 3.16Å; R284-E287 IonicContact NH1-OE2 3.83Å; R284-E287 PolarHBondContact NH1-OE2 3.16Å; R284-E287 PolarHBondContact O-N 2.99Å
288L94.8Very high95.7Very high51 Ų5149 Ų4927%0.26724%0.238SC..Hα-helixtrans-73.4-36.4178.8-68.1170.6000112.1N257 A259 H262 R284 A285 I286N257-L288 HydrophobicContact CB-CD2 3.94Å; A259-L288 HydrophobicContact CB-CB 3.8Å; H262-L288 VanDerWaalsContact CD2-CD1 3.45Å; H262-L288 WeakPolarHBondContact CD2-CD1 3.24Å; R284-L288 HydrophobicContact CG-CD1 4.36Å; R284-L288 VanDerWaalsContact O-CG 3.3Å; R284-L288 WeakPolarHBondContact O-CG 3.33Å; R284-L288 PolarHBondContact O-N 3.02Å; A285-L288 PolarHBondContact O-N 2.89Å; I286-L288 VanDerWaalsContact C-N 3.27Å; I286-L288 PolarHBondContact O-N 2.92Å
289Q95Very high95.7Very high79 Ų7949.4 Ų49.437%0.36924%0.24SC..  trans-136.493.7177.8-174175.8-11.600111A259 A285 I286 H291 F292A259-Q289 HydrophobicContact CB-CB 3.56Å; A285-Q289 PolarHBondContact O-N 2.86Å; I286-Q289 CarbonylContact O-C 3.52Å; I286-Q289 PolarHBondContact O-N 3.15Å; Q289-H291 PolarHBondContact NE2-O 2.77Å; Q289-H291 PolarHBondContact O-N 3.3Å; Q289-F292 HydrophobicContact CG-CB 4.3Å; Q289-F292 WeakPolarHBondContact O-CB 3.48Å
290P93.8Very high95.6Very high82 Ų8249.2 Ų49.253%0.53224%0.239SC..SBendtrans-65.3-22-178.3-26.835.9000114.7I286 F292 Y296I286-P290 WeakPolarHBondContact O-CA 2.91Å; I286-P290 VanDerWaalsContact O-N 3.1Å; P290-F292 PolarHBondContact O-N 3.21Å; P290-Y296 WeakPolarHBondContact O-CE2 2.94Å
291H94.3Very high95.5Very high124 Ų12446.4 Ų46.457%0.57422%0.224SC*.  trans-96.666.2178-152.981.7000110.3Q289 L322Q289-H291 PolarHBondContact NE2-O 2.77Å; Q289-H291 PolarHBondContact O-N 3.3Å; H291-L322 WeakPolarHBondContact ND1-CD2 3.46Å
292F93.3Very high95.5Very high29 Ų2945.7 Ų45.713%0.12722%0.219CC..  trans-136.178.4-176.2-162.9177.6000112V260 Q289 P290 D294 A295 Y296V260-F292 HydrophobicContact CG2-CZ 4.5Å; Q289-F292 HydrophobicContact CG-CB 4.3Å; Q289-F292 WeakPolarHBondContact O-CB 3.48Å; P290-F292 PolarHBondContact O-N 3.21Å; F292-D294 HydrophobicContact CD2-CB 4.36Å; F292-D294 HydrophobicContact CE2-CB 4.07Å; F292-D294 PolarHBondContact O-N 2.74Å; F292-A295 HydrophobicContact CB-CB 4.13Å; F292-A295 HydrophobicContact CD1-CB 3.6Å; F292-A295 HydrophobicContact CD2-CB 4.11Å; F292-A295 HydrophobicContact CE1-CB 4Å; F292-A295 HydrophobicContact CE2-CB 4.47Å; F292-A295 HydrophobicContact CG-CB 3.66Å; F292-A295 HydrophobicContact CZ-CB 4.42Å; F292-A295 PolarHBondContact O-N 3.37Å; F292-A295 VanDerWaalsContact O-N 3.17Å; F292-Y296 WeakPolarHBondContact O-CD2 3.35Å; F292-Y296 PolarHBondContact O-N 2.62Å
293P93.7Very high95.3Very high22 Ų2245.7 Ų45.714%0.14322%0.22CC..Hα-helixtrans-54.2-44.8-173.8-24.732.6000114.5A295 Y296 C297 L322 C323P293-A295 VanDerWaalsContact C-N 3.28Å; P293-A295 PolarHBondContact O-N 3.45Å; P293-Y296 WeakPolarHBondContact O-CB 3.17Å; P293-Y296 PolarHBondContact O-N 3.04Å; P293-Y296 VanDerWaalsContact O-N 3.13Å; P293-C297 PolarHBondContact O-N 2.72Å; P293-L322 HydrophobicContact CG-CB 3.93Å; P293-C323 HydrophobicContact CB-CB 3.99Å; P293-C323 HydrophobicContact CG-CB 3.7Å
294D93.1Very high95Very high81 Ų8143.7 Ų43.743%0.43321%0.214SC..Hα-helixtrans-60.5-38.1-179-55.5-1.7000111.7F292 C297 N298 H326F292-D294 HydrophobicContact CD2-CB 4.36Å; F292-D294 HydrophobicContact CE2-CB 4.07Å; F292-D294 PolarHBondContact O-N 2.74Å; D294-C297 PolarHBondContact O-N 2.85Å; D294-N298 WeakPolarHBondContact O-CB 3.35Å; D294-N298 VanDerWaalsContact O-CG 3.27Å; D294-N298 PolarHBondContact O-N 2.73Å; D294-N298 PolarHBondContact O-ND2 3.32Å; D294-N298 VanDerWaalsContact O-ND2 3.17Å; D294-H326 IonicContact OD1-CD2 3.77Å; D294-H326 IonicContact OD1-NE2 3.55Å; D294-H326 PolarHBondContact OD1-NE2 3.09Å
295A94.4Very high94.7Very high2 Ų244.4 Ų44.42%0.01722%0.221CC..Hα-helixtrans-66.9-39.5177.200000111.8I286 F292 P293 L299I286-A295 HydrophobicContact CD1-CB 4.26Å; I286-A295 HydrophobicContact CG1-CB 3.79Å; F292-A295 HydrophobicContact CB-CB 4.13Å; F292-A295 HydrophobicContact CD1-CB 3.6Å; F292-A295 HydrophobicContact CD2-CB 4.11Å; F292-A295 HydrophobicContact CE1-CB 4Å; F292-A295 HydrophobicContact CE2-CB 4.47Å; F292-A295 HydrophobicContact CG-CB 3.66Å; F292-A295 HydrophobicContact CZ-CB 4.42Å; F292-A295 PolarHBondContact O-N 3.37Å; F292-A295 VanDerWaalsContact O-N 3.17Å; P293-A295 VanDerWaalsContact C-N 3.28Å; P293-A295 PolarHBondContact O-N 3.45Å; A295-L299 WeakPolarHBondContact O-CB 3.25Å; A295-L299 PolarHBondContact O-N 2.84Å
296Y97.3Very high94.5Very high41 Ų4149.8 Ų49.816%0.16125%0.245CC..Hα-helixtrans-65-42.4172.3-78.9-80.5000112I286 P290 F292 P293 L299 A300 C315 T318 L322I286-Y296 HydrophobicContact CD1-CD1 3.93Å; I286-Y296 HydrophobicContact CD1-CD2 4.29Å; I286-Y296 HydrophobicContact CD1-CE1 4.08Å; I286-Y296 HydrophobicContact CD1-CE2 4.43Å; I286-Y296 HydrophobicContact CD1-CG 4.05Å; I286-Y296 HydrophobicContact CG1-CD2 4.35Å; I286-Y296 HydrophobicContact CG1-CE2 4.24Å; I286-Y296 HydrophobicContact CG2-CE1 3.92Å; I286-Y296 HydrophobicContact CG2-CE2 3.77Å; I286-Y296 WeakPolarHBondContact CG2-OH 3.33Å; P290-Y296 WeakPolarHBondContact O-CE2 2.94Å; F292-Y296 WeakPolarHBondContact O-CD2 3.35Å; F292-Y296 PolarHBondContact O-N 2.62Å; P293-Y296 WeakPolarHBondContact O-CB 3.17Å; P293-Y296 PolarHBondContact O-N 3.04Å; P293-Y296 VanDerWaalsContact O-N 3.13Å; Y296-L299 PolarHBondContact O-N 2.76Å; Y296-A300 WeakPolarHBondContact O-CB 3.25Å; Y296-A300 PolarHBondContact O-N 2.99Å; Y296-C315 HydrophobicContact CD1-CB 4.49Å; Y296-T318 HydrophobicContact CD1-CG2 3.86Å; Y296-T318 HydrophobicContact CD2-CG2 4.31Å; Y296-T318 HydrophobicContact CE1-CG2 3.52Å; Y296-T318 HydrophobicContact CE2-CG2 4.03Å; Y296-T318 HydrophobicContact CG-CG2 4.23Å; Y296-L322 HydrophobicContact CD2-CD1 3.68Å; Y296-L322 HydrophobicContact CE2-CD1 3.55Å
297C96.1Very high94Very high3 Ų351.5 Ų51.52%0.0227%0.267CS..Hα-helixtrans-62.4-44.9177.4-172.30000111.7P293 D294 A300 N301 S329P293-C297 PolarHBondContact O-N 2.72Å; D294-C297 PolarHBondContact O-N 2.85Å; C297-A300 WeakPolarHBondContact O-CB 3.35Å; C297-A300 PolarHBondContact O-N 2.89Å; C297-N301 PolarHBondContact O-N 2.85Å; C297-S329 VanDerWaalsContact CB-OG 3.3Å; C297-S329 WeakPolarHBondContact CB-OG 3.47Å; C297-S329 PolarHBondContact SG-OG 3.08Å
298N95.8Very high93.8Very high49 Ų4947.2 Ų47.226%0.26225%0.251SS..Hα-helixtrans-72.6-34.9179.7-69.7-31.7000112.8Y282 D294 A300 N301 A302Y282-N298 HydrophobicContact CD1-CB 4.33Å; Y282-N298 HydrophobicContact CE1-CB 3.59Å; Y282-N298 HydrophobicContact CE2-CB 4.09Å; Y282-N298 VanDerWaalsContact CZ-CB 3.46Å; Y282-N298 WeakPolarHBondContact OH-CB 3.38Å; D294-N298 WeakPolarHBondContact O-CB 3.35Å; D294-N298 VanDerWaalsContact O-CG 3.27Å; D294-N298 PolarHBondContact O-N 2.73Å; D294-N298 PolarHBondContact O-ND2 3.32Å; D294-N298 VanDerWaalsContact O-ND2 3.17Å; N298-A300 VanDerWaalsContact C-N 3.31Å; N298-N301 WeakPolarHBondContact O-CB 3.16Å; N298-N301 PolarHBondContact O-N 3.24Å; N298-A302 PolarHBondContact O-N 2.84Å; N298-A302 VanDerWaalsContact O-N 3.11Å
299L97.3Very high93.6Very high7 Ų747.2 Ų47.24%0.03725%0.253CS..Hα-helixtrans-60.1-43.7168.7175.258.3000110.9I279 Y282 R283 I286 A295 Y296 N301 A302 L303I279-L299 HydrophobicContact CB-CD1 4.19Å; I279-L299 HydrophobicContact CG1-CD1 4.14Å; I279-L299 HydrophobicContact CG2-CD1 3.9Å; Y282-L299 HydrophobicContact CD2-CB 4.38Å; Y282-L299 HydrophobicContact CG-CB 4.26Å; R283-L299 HydrophobicContact CG-CD1 4.41Å; R283-L299 HydrophobicContact CG-CD2 4.07Å; I286-L299 HydrophobicContact CD1-CB 4.41Å; I286-L299 HydrophobicContact CD1-CD2 3.69Å; A295-L299 WeakPolarHBondContact O-CB 3.25Å; A295-L299 PolarHBondContact O-N 2.84Å; Y296-L299 PolarHBondContact O-N 2.76Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.39Å; L299-A302 PolarHBondContact O-N 3.44Å; L299-L303 HydrophobicContact CD1-CD1 3.94Å; L299-L303 HydrophobicContact CD1-CG 4Å; L299-L303 HydrophobicContact CD2-CD1 4.45Å; L299-L303 HydrophobicContact CG-CD1 3.78Å; L299-L303 HydrophobicContact CG-CG 4.31Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.41Å
300A96Very high93.4Very high0 Ų046.8 Ų46.80%026%0.263CS..Hα-helixtrans-62.2-40.4177.400000112.3Y296 C297 N298 L303 K304 A312 C315 Y316Y296-A300 WeakPolarHBondContact O-CB 3.25Å; Y296-A300 PolarHBondContact O-N 2.99Å; C297-A300 WeakPolarHBondContact O-CB 3.35Å; C297-A300 PolarHBondContact O-N 2.89Å; N298-A300 VanDerWaalsContact C-N 3.31Å; A300-L303 PolarHBondContact O-N 3.33Å; A300-K304 WeakPolarHBondContact O-CB 3.15Å; A300-K304 PolarHBondContact O-N 2.88Å; A300-A312 HydrophobicContact CB-CB 4.3Å; A300-A312 WeakPolarHBondContact CB-O 3.43Å; A300-A312 VanDerWaalsContact O-CB 3.32Å; A300-A312 WeakPolarHBondContact O-CB 3.3Å; A300-C315 HydrophobicContact CB-CB 3.65Å; A300-Y316 HydrophobicContact CB-CD1 3.69Å; A300-Y316 HydrophobicContact CB-CD2 3.78Å; A300-Y316 HydrophobicContact CB-CE1 3.47Å; A300-Y316 VanDerWaalsContact CB-CE1 3.47Å; A300-Y316 HydrophobicContact CB-CE2 3.54Å; A300-Y316 HydrophobicContact CB-CG 3.84Å
301N94.7Very high93.4Very high36 Ų3647.2 Ų47.219%0.19326%0.258CS..Hα-helixtrans-57.1-49.7172.8-69.4-28.8000110.9C297 N298 L299 K304 E305 Y316 N332C297-N301 PolarHBondContact O-N 2.85Å; N298-N301 WeakPolarHBondContact O-CB 3.16Å; N298-N301 PolarHBondContact O-N 3.24Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.39Å; N301-K304 PolarHBondContact O-N 2.82Å; N301-E305 PolarHBondContact O-N 3.36Å; N301-Y316 PolarHBondContact N-OH 2.65Å; N301-Y316 PolarHBondContact OD1-OH 3.13Å; N301-N332 PolarHBondContact OD1-ND2 2.89Å
302A95Very high93.5Very high0 Ų041.3 Ų41.30%023%0.231CC..Hα-helixtrans-64.7-40.8179.500000113Y270 I275 I279 N298 L299 E305 K306Y270-A302 HydrophobicContact CD2-CB 3.79Å; Y270-A302 HydrophobicContact CE2-CB 4Å; I275-A302 HydrophobicContact CG2-CB 4.41Å; I275-A302 WeakPolarHBondContact CG2-O 3.3Å; I279-A302 HydrophobicContact CD1-CB 4.45Å; I279-A302 HydrophobicContact CG1-CB 3.79Å; N298-A302 PolarHBondContact O-N 2.84Å; N298-A302 VanDerWaalsContact O-N 3.11Å; L299-A302 PolarHBondContact O-N 3.44Å; A302-E305 PolarHBondContact O-N 3.37Å; A302-K306 PolarHBondContact O-N 3.22Å
303L94.7Very high93.5Very high4 Ų441.6 Ų41.62%0.02123%0.232CC..Hα-helixtrans-64.9-39.6175.6-74.1167.7000112.1I279 L299 A300 E305 K306 G307 S308 E311 A312I279-L303 HydrophobicContact CD1-CD2 3.97Å; I279-L303 HydrophobicContact CD1-CG 4.45Å; I279-L303 HydrophobicContact CG1-CD2 4.35Å; I279-L303 HydrophobicContact CG1-CG 4.49Å; I279-L303 HydrophobicContact CG2-CD2 4.33Å; L299-L303 HydrophobicContact CD1-CD1 3.94Å; L299-L303 HydrophobicContact CD1-CG 4Å; L299-L303 HydrophobicContact CD2-CD1 4.45Å; L299-L303 HydrophobicContact CG-CD1 3.78Å; L299-L303 HydrophobicContact CG-CG 4.31Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.41Å; A300-L303 PolarHBondContact O-N 3.33Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-K306 PolarHBondContact O-N 3Å; L303-G307 PolarHBondContact O-N 3.21Å; L303-S308 PolarHBondContact O-N 3.34Å; L303-E311 HydrophobicContact CD1-CB 3.94Å; L303-E311 HydrophobicContact CD2-CB 4.49Å; L303-A312 HydrophobicContact CB-CB 3.97Å
304K91.2Very high93.6Very high61 Ų6145.5 Ų45.527%0.26525%0.252SS..Hα-helixtrans-61.4-45.6175-172.5-167.6175.2-170.50110.5A300 N301 K306 G307 A312 I336 E339A300-K304 WeakPolarHBondContact O-CB 3.15Å; A300-K304 PolarHBondContact O-N 2.88Å; N301-K304 PolarHBondContact O-N 2.82Å; K304-K306 VanDerWaalsContact C-N 3.29Å; K304-K306 PolarHBondContact O-N 2.76Å; K304-G307 WeakPolarHBondContact O-CA 3.41Å; K304-G307 PolarHBondContact O-N 3.01Å; K304-A312 HydrophobicContact CB-CB 4.11Å; K304-I336 HydrophobicContact CD-CD1 4.37Å; K304-I336 HydrophobicContact CD-CG1 4.19Å; K304-E339 WeakPolarHBondContact CE-OE2 3.41Å; K304-E339 IonicContact NZ-OE1 3.96Å; K304-E339 PolarHBondContact NZ-OE1 3.45Å; K304-E339 IonicContact NZ-OE2 2.7Å; K304-E339 PolarHBondContact NZ-OE2 3.12Å
305E89.7Confident93.7Very high117 Ų11742.4 Ų42.455%0.54724%0.236SC..Hα-helixtrans-63.9-34.2178.7-169.5165.7168.200112.5Y270 I275 N301 A302 L303 G307Y270-E305 WeakPolarHBondContact CE2-OE2 3.46Å; Y270-E305 PolarHBondContact OH-OE2 3.12Å; I275-E305 HydrophobicContact CD1-CG 4.37Å; N301-E305 PolarHBondContact O-N 3.36Å; A302-E305 PolarHBondContact O-N 3.37Å; L303-E305 VanDerWaalsContact C-N 3.35Å; E305-G307 PolarHBondContact O-N 2.95Å
306K90.8Very high93.9Very high114 Ų11442.3 Ų42.350%0.49624%0.236SC..THydrogen-bonded Turntrans-71-10.3170.4-170.9170.5176.1174.30113.8I275 D276 I279 A302 L303 K304I275-K306 HydrophobicContact CG2-CB 4.12Å; D276-K306 VanDerWaalsContact OD1-CE 3.27Å; D276-K306 WeakPolarHBondContact OD1-CE 3.44Å; D276-K306 IonicContact OD1-NZ 2.88Å; D276-K306 PolarHBondContact OD1-NZ 2.94Å; I279-K306 HydrophobicContact CD1-CB 4.29Å; I279-K306 HydrophobicContact CD1-CD 3.61Å; A302-K306 PolarHBondContact O-N 3.22Å; L303-K306 PolarHBondContact O-N 3Å; K304-K306 VanDerWaalsContact C-N 3.29Å; K304-K306 PolarHBondContact O-N 2.76Å
307G87Confident93.8Very high53 Ų5343 Ų4355%0.54624%0.242SC..THydrogen-bonded Turntrans87.15.2-177.400000114.9L303 K304 E305 V309L303-G307 PolarHBondContact O-N 3.21Å; K304-G307 WeakPolarHBondContact O-CA 3.41Å; K304-G307 PolarHBondContact O-N 3.01Å; E305-G307 PolarHBondContact O-N 2.95Å; G307-V309 VanDerWaalsContact C-N 3.25Å; G307-V309 PolarHBondContact O-N 2.6Å
308S92.1Very high93.8Very high37 Ų3744.1 Ų44.126%0.25925%0.249SC..  trans-84.963.4177.7-58.50000111L303 A310 E311 A312L303-S308 PolarHBondContact O-N 3.34Å; S308-A310 PolarHBondContact O-N 3.09Å; S308-E311 PolarHBondContact O-N 2.84Å; S308-A312 PolarHBondContact O-N 3.42Å
309V90.4Very high93.8Very high50 Ų5041.8 Ų41.830%0.30324%0.236SC..Hα-helixtrans-62.1-37.9-169.3-178.50000113.1G307 A312 E313 I336G307-V309 VanDerWaalsContact C-N 3.25Å; G307-V309 PolarHBondContact O-N 2.6Å; V309-A312 WeakPolarHBondContact O-CB 3.42Å; V309-A312 PolarHBondContact O-N 2.97Å; V309-E313 PolarHBondContact O-N 2.96Å; V309-I336 HydrophobicContact CG1-CD1 4.31Å; V309-I336 HydrophobicContact CG1-CG2 3.84Å
310A91Very high93.7Very high71 Ų7142.6 Ų42.659%0.58724%0.24SC*.Hα-helixtrans-64.1-46.3179.600000112S308 A312 E313 D314S308-A310 PolarHBondContact O-N 3.09Å; A310-A312 VanDerWaalsContact C-N 3.33Å; A310-A312 PolarHBondContact O-N 3.42Å; A310-E313 WeakPolarHBondContact O-CB 3.43Å; A310-E313 PolarHBondContact O-N 3.24Å; A310-D314 PolarHBondContact O-N 3.17Å; A310-D314 VanDerWaalsContact O-N 3.11Å
311E94.3Very high93.8Very high91 Ų9151.3 Ų51.343%0.42527%0.273SS..Hα-helixtrans-64.9-38.3176-68.3-176-142.100111.6R283 L303 S308 E313 D314 C315R283-E311 IonicContact NH2-OE2 3.63Å; R283-E311 PolarHBondContact NH2-OE2 3.18Å; R283-E311 VanDerWaalsContact NH2-OE2 3.15Å; L303-E311 HydrophobicContact CD1-CB 3.94Å; L303-E311 HydrophobicContact CD2-CB 4.49Å; S308-E311 PolarHBondContact O-N 2.84Å; E311-E313 VanDerWaalsContact C-N 3.29Å; E311-E313 PolarHBondContact O-N 2.9Å; E311-D314 PolarHBondContact O-N 3.31Å; E311-C315 PolarHBondContact O-N 2.98Å; E311-C315 PolarHBondContact O-SG 3.47Å; E311-C315 VanDerWaalsContact O-SG 3.4Å
312A94.9Very high93.8Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-59.4-42.2174.500000111.5A300 L303 K304 S308 V309 A310 C315 Y316 I336A300-A312 HydrophobicContact CB-CB 4.3Å; A300-A312 WeakPolarHBondContact CB-O 3.43Å; A300-A312 VanDerWaalsContact O-CB 3.32Å; A300-A312 WeakPolarHBondContact O-CB 3.3Å; L303-A312 HydrophobicContact CB-CB 3.97Å; K304-A312 HydrophobicContact CB-CB 4.11Å; S308-A312 PolarHBondContact O-N 3.42Å; V309-A312 WeakPolarHBondContact O-CB 3.42Å; V309-A312 PolarHBondContact O-N 2.97Å; A310-A312 VanDerWaalsContact C-N 3.33Å; A310-A312 PolarHBondContact O-N 3.42Å; A312-C315 PolarHBondContact O-N 2.78Å; A312-Y316 HydrophobicContact CB-CE2 4.42Å; A312-Y316 WeakPolarHBondContact O-CD2 3.37Å; A312-Y316 PolarHBondContact O-N 2.75Å; A312-I336 HydrophobicContact CB-CD1 4.23Å
313E94.3Very high93.8Very high35 Ų3553.5 Ų53.516%0.16429%0.287CS..Hα-helixtrans-61.1-45.9176.6-156.8-173.9135.600112V309 A310 E311 C315 Y316 N317 L333 K337 Q340V309-E313 PolarHBondContact O-N 2.96Å; A310-E313 WeakPolarHBondContact O-CB 3.43Å; A310-E313 PolarHBondContact O-N 3.24Å; E311-E313 VanDerWaalsContact C-N 3.29Å; E311-E313 PolarHBondContact O-N 2.9Å; E313-C315 VanDerWaalsContact C-N 3.3Å; E313-C315 PolarHBondContact O-N 3.09Å; E313-Y316 PolarHBondContact O-N 3.32Å; E313-N317 WeakPolarHBondContact O-CB 3.18Å; E313-N317 PolarHBondContact O-N 3.41Å; E313-N317 PolarHBondContact O-ND2 3Å; E313-N317 VanDerWaalsContact O-ND2 3.13Å; E313-L333 HydrophobicContact CG-CD1 3.49Å; E313-L333 VanDerWaalsContact CG-CD1 3.49Å; E313-K337 VanDerWaalsContact OE1-CE 3.28Å; E313-K337 WeakPolarHBondContact OE1-CE 3.49Å; E313-K337 IonicContact OE1-NZ 3.78Å; E313-K337 PolarHBondContact OE1-NZ 2.87Å; E313-K337 IonicContact OE2-NZ 3.72Å; E313-K337 PolarHBondContact OE2-NZ 3.47Å; E313-Q340 PolarHBondContact OE2-NE2 3.04Å
314D95.4Very high93.7Very high103 Ų10356.8 Ų56.855%0.55131%0.309SS*.Hα-helixtrans-61.3-38.6176.4-75.2-24.1000112.2A310 E311 N317 T318A310-D314 PolarHBondContact O-N 3.17Å; A310-D314 VanDerWaalsContact O-N 3.11Å; E311-D314 PolarHBondContact O-N 3.31Å; D314-N317 PolarHBondContact O-N 3.02Å; D314-T318 WeakPolarHBondContact O-CB 3.32Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 2.56Å
315C96.3Very high93.9Very high16 Ų1658.2 Ų58.211%0.10832%0.323CS..Hα-helixtrans-65.4-45.4174.6-72.60000111.9Y296 A300 E311 A312 E313 N317 T318 A319Y296-C315 HydrophobicContact CD1-CB 4.49Å; A300-C315 HydrophobicContact CB-CB 3.65Å; E311-C315 PolarHBondContact O-N 2.98Å; E311-C315 PolarHBondContact O-SG 3.47Å; E311-C315 VanDerWaalsContact O-SG 3.4Å; A312-C315 PolarHBondContact O-N 2.78Å; E313-C315 VanDerWaalsContact C-N 3.3Å; E313-C315 PolarHBondContact O-N 3.09Å; C315-N317 PolarHBondContact O-N 3.49Å; C315-T318 PolarHBondContact O-N 3.33Å; C315-A319 PolarHBondContact O-N 2.98Å
316Y96.8Very high94.1Very high1 Ų153.8 Ų53.80%0.00430%0.302CS..Hα-helixtrans-61.5-44.4174.2-70.6-56.2000112.2A300 N301 A312 E313 T318 A319 L320 N332 L333 I336A300-Y316 HydrophobicContact CB-CD1 3.69Å; A300-Y316 HydrophobicContact CB-CD2 3.78Å; A300-Y316 HydrophobicContact CB-CE1 3.47Å; A300-Y316 VanDerWaalsContact CB-CE1 3.47Å; A300-Y316 HydrophobicContact CB-CE2 3.54Å; A300-Y316 HydrophobicContact CB-CG 3.84Å; N301-Y316 PolarHBondContact N-OH 2.65Å; N301-Y316 PolarHBondContact OD1-OH 3.13Å; A312-Y316 HydrophobicContact CB-CE2 4.42Å; A312-Y316 WeakPolarHBondContact O-CD2 3.37Å; A312-Y316 PolarHBondContact O-N 2.75Å; E313-Y316 PolarHBondContact O-N 3.32Å; Y316-T318 PolarHBondContact O-N 2.81Å; Y316-A319 WeakPolarHBondContact O-CB 3.34Å; Y316-A319 PolarHBondContact O-N 2.63Å; Y316-L320 WeakPolarHBondContact O-CB 3.19Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.44Å; Y316-L320 PolarHBondContact O-N 2.88Å; Y316-N332 HydrophobicContact CD1-CB 4.4Å; Y316-N332 HydrophobicContact CE1-CB 3.58Å; Y316-N332 HydrophobicContact CE2-CB 4.21Å; Y316-N332 VanDerWaalsContact CZ-CB 3.48Å; Y316-N332 WeakPolarHBondContact OH-CB 3.47Å; Y316-L333 HydrophobicContact CD2-CD1 4.49Å; Y316-L333 HydrophobicContact CG-CB 4.39Å; Y316-I336 HydrophobicContact CD2-CD1 3.96Å; Y316-I336 HydrophobicContact CE2-CD1 3.59Å
317N96Very high94.2Very high55 Ų5548.9 Ų48.929%0.29428%0.283SS..Hα-helixtrans-60.9-36176.6-76.2-40.2000111.3E313 D314 C315 L320 R321E313-N317 WeakPolarHBondContact O-CB 3.18Å; E313-N317 PolarHBondContact O-N 3.41Å; E313-N317 PolarHBondContact O-ND2 3Å; E313-N317 VanDerWaalsContact O-ND2 3.13Å; D314-N317 PolarHBondContact O-N 3.02Å; C315-N317 PolarHBondContact O-N 3.49Å; N317-L320 PolarHBondContact O-N 3.31Å; N317-R321 WeakPolarHBondContact O-CG 3.3Å; N317-R321 PolarHBondContact O-N 3.36Å
318T96.4Very high94.5Very high26 Ų2650.3 Ų50.316%0.1628%0.278CS..Hα-helixtrans-68.9-45.6174.6-56.60000111.6Y296 D314 C315 Y316 L320 R321 L322Y296-T318 HydrophobicContact CD1-CG2 3.86Å; Y296-T318 HydrophobicContact CD2-CG2 4.31Å; Y296-T318 HydrophobicContact CE1-CG2 3.52Å; Y296-T318 HydrophobicContact CE2-CG2 4.03Å; Y296-T318 HydrophobicContact CG-CG2 4.23Å; D314-T318 WeakPolarHBondContact O-CB 3.32Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 2.56Å; C315-T318 PolarHBondContact O-N 3.33Å; Y316-T318 PolarHBondContact O-N 2.81Å; T318-L320 VanDerWaalsContact C-N 3.26Å; T318-L320 PolarHBondContact O-N 3.09Å; T318-R321 PolarHBondContact O-N 2.89Å; T318-R321 VanDerWaalsContact O-N 3.14Å; T318-R321 PolarHBondContact OG1-NH2 2.82Å; T318-L322 HydrophobicContact CG2-CD1 4.3Å; T318-L322 VanDerWaalsContact O-CG 3.32Å; T318-L322 WeakPolarHBondContact O-CG 3.48Å; T318-L322 PolarHBondContact O-N 2.87Å
319A96.2Very high94.7Very high0 Ų048.5 Ų48.50%027%0.266CS..Hα-helixtrans-54.4-44173.200000111.6C315 Y316 L322 C323 S329C315-A319 PolarHBondContact O-N 2.98Å; Y316-A319 WeakPolarHBondContact O-CB 3.34Å; Y316-A319 PolarHBondContact O-N 2.63Å; A319-L322 PolarHBondContact O-N 2.61Å; A319-C323 PolarHBondContact O-N 3.48Å; A319-S329 WeakPolarHBondContact CB-OG 3.33Å
320L95.4Very high95Very high24 Ų2446.2 Ų46.213%0.12625%0.252CS..Hα-helixtrans-73.5-26.4179.3-66.3173.5000114.2Y316 N317 T318 C323 P324 H326 L330 L333Y316-L320 WeakPolarHBondContact O-CB 3.19Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.44Å; Y316-L320 PolarHBondContact O-N 2.88Å; N317-L320 PolarHBondContact O-N 3.31Å; T318-L320 VanDerWaalsContact C-N 3.26Å; T318-L320 PolarHBondContact O-N 3.09Å; L320-C323 CarbonylContact O-C 3.32Å; L320-P324 WeakPolarHBondContact O-CA 3.4Å; L320-P324 VanDerWaalsContact O-N 3.15Å; L320-H326 HydrophobicContact CD2-CB 4.28Å; L320-L330 HydrophobicContact CD1-CD2 3.84Å; L320-L330 HydrophobicContact CD1-CG 4.47Å; L320-L330 HydrophobicContact CD2-CD2 3.69Å; L320-L330 HydrophobicContact CD2-CG 3.63Å; L320-L330 HydrophobicContact CG-CD2 4.43Å; L320-L333 HydrophobicContact CD1-CD2 3.79Å
321R96.6Very high95.2Very high183 Ų18343.1 Ų43.169%0.69123%0.225SC*.Hα-helixtrans-68.9-38.3169.2-81.2-175-64.3-147.3-0.5111.7N317 T318N317-R321 WeakPolarHBondContact O-CG 3.3Å; N317-R321 PolarHBondContact O-N 3.36Å; T318-R321 PolarHBondContact O-N 2.89Å; T318-R321 VanDerWaalsContact O-N 3.14Å; T318-R321 PolarHBondContact OG1-NH2 2.82Å
322L95.1Very high95.3Very high46 Ų4640.2 Ų40.224%0.24121%0.212CC..Hα-helixtrans-74.7-42.4178.7-61171.5000111.2H291 P293 Y296 T318 A319H291-L322 WeakPolarHBondContact ND1-CD2 3.46Å; P293-L322 HydrophobicContact CG-CB 3.93Å; Y296-L322 HydrophobicContact CD2-CD1 3.68Å; Y296-L322 HydrophobicContact CE2-CD1 3.55Å; T318-L322 HydrophobicContact CG2-CD1 4.3Å; T318-L322 VanDerWaalsContact O-CG 3.32Å; T318-L322 WeakPolarHBondContact O-CG 3.48Å; T318-L322 PolarHBondContact O-N 2.87Å; A319-L322 PolarHBondContact O-N 2.61Å
323C94.6Very high95.3Very high36 Ų3640.4 Ų40.424%0.24321%0.214CC..  trans-136.194.3177.8-175.60000110.4P293 A319 L320 T325 H326P293-C323 HydrophobicContact CB-CB 3.99Å; P293-C323 HydrophobicContact CG-CB 3.7Å; A319-C323 PolarHBondContact O-N 3.48Å; L320-C323 CarbonylContact O-C 3.32Å; C323-T325 PolarHBondContact O-N 3.35Å; C323-T325 PolarHBondContact SG-OG1 3.07Å; C323-H326 HydrophobicContact CB-CB 4.15Å; C323-H326 WeakPolarHBondContact O-CB 3.38Å; C323-H326 PolarHBondContact O-N 3.46Å
324P93.9Very high95.4Very high74 Ų7438.8 Ų38.848%0.48121%0.206SC..THydrogen-bonded Turntrans-61.5-15.9-179.5-26.235.2000115.3L320L320-P324 WeakPolarHBondContact O-CA 3.4Å; L320-P324 VanDerWaalsContact O-N 3.15Å
325T94.1Very high95.3Very high91 Ų9134.8 Ų34.856%0.55819%0.185SC*.THydrogen-bonded Turntrans-102.822.9178.656.60000112.2C323 A327 V356C323-T325 PolarHBondContact O-N 3.35Å; C323-T325 PolarHBondContact SG-OG1 3.07Å; T325-A327 PolarHBondContact O-N 3.46Å; T325-V356 HydrophobicContact CG2-CG2 4.27Å; T325-V356 WeakPolarHBondContact O-CG1 3.48Å
326H93.9Very high95.1Very high23 Ų2334 Ų3411%0.10618%0.18CC..  trans-82.694.5176.6-166.2-95000110.9D294 L320 C323 D328 S329 L330D294-H326 IonicContact OD1-CD2 3.77Å; D294-H326 IonicContact OD1-NE2 3.55Å; D294-H326 PolarHBondContact OD1-NE2 3.09Å; L320-H326 HydrophobicContact CD2-CB 4.28Å; C323-H326 HydrophobicContact CB-CB 4.15Å; C323-H326 WeakPolarHBondContact O-CB 3.38Å; C323-H326 PolarHBondContact O-N 3.46Å; H326-D328 PolarHBondContact O-N 2.71Å; H326-S329 PolarHBondContact CE1-OG 3.04Å; H326-S329 WeakPolarHBondContact ND1-CB 3.43Å; H326-S329 PolarHBondContact ND1-N 3.19Å; H326-S329 PolarHBondContact ND1-OG 2.87Å; H326-S329 PolarHBondContact O-N 3.41Å; H326-L330 PolarHBondContact O-N 3.37Å
327A93.7Very high94.8Very high12 Ų1235.4 Ų35.410%0.09919%0.186CC..Hα-helixtrans-59.4-42.8-169.700000113.8T325 S329 L330 N331 V356 F357 F360T325-A327 PolarHBondContact O-N 3.46Å; A327-S329 VanDerWaalsContact C-N 3.34Å; A327-S329 PolarHBondContact O-N 3.28Å; A327-L330 WeakPolarHBondContact O-CB 3.45Å; A327-L330 PolarHBondContact O-N 3.02Å; A327-N331 PolarHBondContact O-N 3.26Å; A327-V356 HydrophobicContact CB-CG1 4.19Å; A327-F357 HydrophobicContact CB-CB 3.89Å; A327-F360 HydrophobicContact CB-CD1 4.28Å; A327-F360 HydrophobicContact CB-CE1 4.27Å
328D93.9Very high94.5Very high82 Ų8235.8 Ų35.844%0.43918%0.183SC..Hα-helixtrans-61.8-40.9179.6-68.2-68.4000112.2H326 N331 N332 F360H326-D328 PolarHBondContact O-N 2.71Å; D328-N331 PolarHBondContact O-N 3.04Å; D328-N332 WeakPolarHBondContact O-CB 3.22Å; D328-N332 VanDerWaalsContact O-CG 3.26Å; D328-N332 PolarHBondContact O-N 3.45Å; D328-F360 WeakPolarHBondContact OD1-CZ 3.33Å
329S95.6Very high93.9Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-67.4-36.6176.5-63.70000112.2C297 A319 H326 A327 L333C297-S329 VanDerWaalsContact CB-OG 3.3Å; C297-S329 WeakPolarHBondContact CB-OG 3.47Å; C297-S329 PolarHBondContact SG-OG 3.08Å; A319-S329 WeakPolarHBondContact CB-OG 3.33Å; H326-S329 PolarHBondContact CE1-OG 3.04Å; H326-S329 WeakPolarHBondContact ND1-CB 3.43Å; H326-S329 PolarHBondContact ND1-N 3.19Å; H326-S329 PolarHBondContact ND1-OG 2.87Å; H326-S329 PolarHBondContact O-N 3.41Å; A327-S329 VanDerWaalsContact C-N 3.34Å; A327-S329 PolarHBondContact O-N 3.28Å; S329-L333 WeakPolarHBondContact O-CB 3.34Å; S329-L333 PolarHBondContact O-N 2.86Å
330L97.1Very high93.4Very high2 Ų243.9 Ų43.91%0.0122%0.219CC..Hα-helixtrans-62.4-48.8174.4-70.2169.4000111.2L320 H326 A327 A334 L349 K352 A353 V356L320-L330 HydrophobicContact CD1-CD2 3.84Å; L320-L330 HydrophobicContact CD1-CG 4.47Å; L320-L330 HydrophobicContact CD2-CD2 3.69Å; L320-L330 HydrophobicContact CD2-CG 3.63Å; L320-L330 HydrophobicContact CG-CD2 4.43Å; H326-L330 PolarHBondContact O-N 3.37Å; A327-L330 WeakPolarHBondContact O-CB 3.45Å; A327-L330 PolarHBondContact O-N 3.02Å; L330-A334 WeakPolarHBondContact O-CB 3.27Å; L330-A334 PolarHBondContact O-N 3.13Å; L330-L349 HydrophobicContact CD2-CD2 3.99Å; L330-K352 HydrophobicContact CD1-CB 4.25Å; L330-K352 HydrophobicContact CD1-CD 4.25Å; L330-K352 HydrophobicContact CD1-CG 3.88Å; L330-K352 HydrophobicContact CD2-CB 4.48Å; L330-K352 HydrophobicContact CD2-CD 3.9Å; L330-K352 HydrophobicContact CD2-CG 4.3Å; L330-A353 HydrophobicContact CB-CB 3.71Å; L330-A353 HydrophobicContact CD1-CB 4.43Å; L330-V356 HydrophobicContact CD1-CG2 4.3Å
331N95.5Very high92.6Very high6 Ų645 Ų453%0.03224%0.236CC..Hα-helixtrans-64.1-43.5178.9173.378.8000112.3A327 D328 A334 N335 Y350 A353 F360 A363 N366A327-N331 PolarHBondContact O-N 3.26Å; D328-N331 PolarHBondContact O-N 3.04Å; N331-A334 WeakPolarHBondContact O-CB 3.25Å; N331-A334 PolarHBondContact O-N 2.7Å; N331-N335 PolarHBondContact O-N 2.82Å; N331-N335 PolarHBondContact O-ND2 2.84Å; N331-Y350 WeakPolarHBondContact OD1-CE1 3.33Å; N331-A353 HydrophobicContact CB-CB 4.41Å; N331-F360 HydrophobicContact CB-CD1 4.47Å; N331-F360 HydrophobicContact CB-CE1 3.66Å; N331-F360 HydrophobicContact CB-CZ 4.05Å; N331-A363 HydrophobicContact CB-CB 4.45Å; N331-A363 WeakPolarHBondContact OD1-CA 3.39Å; N331-N366 PolarHBondContact OD1-ND2 2.86Å
332N95.3Very high92.2Very high29 Ų2940 Ų4016%0.15522%0.223CC..Hα-helixtrans-73.9-35.2-177.3-67.6-8.4000112.3N301 Y316 D328 A334 N335 I336N301-N332 PolarHBondContact OD1-ND2 2.89Å; Y316-N332 HydrophobicContact CD1-CB 4.4Å; Y316-N332 HydrophobicContact CE1-CB 3.58Å; Y316-N332 HydrophobicContact CE2-CB 4.21Å; Y316-N332 VanDerWaalsContact CZ-CB 3.48Å; Y316-N332 WeakPolarHBondContact OH-CB 3.47Å; D328-N332 WeakPolarHBondContact O-CB 3.22Å; D328-N332 VanDerWaalsContact O-CG 3.26Å; D328-N332 PolarHBondContact O-N 3.45Å; N332-A334 VanDerWaalsContact C-N 3.33Å; N332-N335 WeakPolarHBondContact O-CB 3.47Å; N332-N335 PolarHBondContact O-N 2.86Å; N332-I336 PolarHBondContact O-N 2.85Å; N332-I336 VanDerWaalsContact O-N 3.13Å
333L96.1Very high91.8Very high5 Ų539.6 Ų39.63%0.02622%0.221CC..Hα-helixtrans-63.9-40.5169.8-176.461.3000111.1E313 Y316 L320 S329 N335 I336 K337 L349E313-L333 HydrophobicContact CG-CD1 3.49Å; E313-L333 VanDerWaalsContact CG-CD1 3.49Å; Y316-L333 HydrophobicContact CD2-CD1 4.49Å; Y316-L333 HydrophobicContact CG-CB 4.39Å; L320-L333 HydrophobicContact CD1-CD2 3.79Å; S329-L333 WeakPolarHBondContact O-CB 3.34Å; S329-L333 PolarHBondContact O-N 2.86Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 3.31Å; L333-I336 PolarHBondContact O-N 2.98Å; L333-I336 VanDerWaalsContact O-N 3.17Å; L333-K337 WeakPolarHBondContact O-CG 3.1Å; L333-K337 PolarHBondContact O-N 2.92Å; L333-L349 HydrophobicContact CB-CD1 4.28Å; L333-L349 HydrophobicContact CD2-CD1 3.95Å; L333-L349 HydrophobicContact CD2-CD2 4.23Å; L333-L349 HydrophobicContact CG-CD1 3.75Å
334A95.5Very high91.5Very high0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-59.1-41.717400000111.9L330 N331 N332 I336 K337 R338 A346 L349 Y350L330-A334 WeakPolarHBondContact O-CB 3.27Å; L330-A334 PolarHBondContact O-N 3.13Å; N331-A334 WeakPolarHBondContact O-CB 3.25Å; N331-A334 PolarHBondContact O-N 2.7Å; N332-A334 VanDerWaalsContact C-N 3.33Å; A334-I336 VanDerWaalsContact C-N 3.35Å; A334-I336 PolarHBondContact O-N 3.18Å; A334-K337 PolarHBondContact O-N 3.1Å; A334-R338 WeakPolarHBondContact O-CB 3.26Å; A334-R338 PolarHBondContact O-N 3.04Å; A334-A346 WeakPolarHBondContact O-CB 3.11Å; A334-L349 HydrophobicContact CB-CB 3.59Å; A334-L349 HydrophobicContact CB-CD1 4.41Å; A334-Y350 HydrophobicContact CB-CD1 3.5Å; A334-Y350 HydrophobicContact CB-CD2 3.93Å; A334-Y350 HydrophobicContact CB-CE1 3.39Å; A334-Y350 HydrophobicContact CB-CE2 3.83Å; A334-Y350 HydrophobicContact CB-CG 3.76Å
335N93.4Very high91.4Very high20 Ų2044.1 Ų44.111%0.10723%0.232CC..Hα-helixtrans-59-44.1174.4-67.6-30.2000111.8N331 N332 L333 R338 E339 Y350 N366N331-N335 PolarHBondContact O-N 2.82Å; N331-N335 PolarHBondContact O-ND2 2.84Å; N332-N335 WeakPolarHBondContact O-CB 3.47Å; N332-N335 PolarHBondContact O-N 2.86Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 3.31Å; N335-R338 WeakPolarHBondContact O-CB 3.41Å; N335-R338 PolarHBondContact O-N 3.23Å; N335-E339 VanDerWaalsContact O-CG 3.31Å; N335-E339 WeakPolarHBondContact O-CG 3.46Å; N335-E339 PolarHBondContact O-N 2.99Å; N335-Y350 WeakPolarHBondContact CA-OH 3.48Å; N335-Y350 PolarHBondContact N-OH 2.67Å; N335-Y350 WeakPolarHBondContact OD1-CE1 3.3Å; N335-Y350 PolarHBondContact OD1-OH 3.17Å; N335-N366 PolarHBondContact OD1-ND2 2.8Å
336I91.9Very high91.4Very high0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-63-46.3175.6-71.7-179.2000110.8K304 V309 A312 Y316 N332 L333 A334 R338 E339 Q340K304-I336 HydrophobicContact CD-CD1 4.37Å; K304-I336 HydrophobicContact CD-CG1 4.19Å; V309-I336 HydrophobicContact CG1-CD1 4.31Å; V309-I336 HydrophobicContact CG1-CG2 3.84Å; A312-I336 HydrophobicContact CB-CD1 4.23Å; Y316-I336 HydrophobicContact CD2-CD1 3.96Å; Y316-I336 HydrophobicContact CE2-CD1 3.59Å; N332-I336 PolarHBondContact O-N 2.85Å; N332-I336 VanDerWaalsContact O-N 3.13Å; L333-I336 PolarHBondContact O-N 2.98Å; L333-I336 VanDerWaalsContact O-N 3.17Å; A334-I336 VanDerWaalsContact C-N 3.35Å; A334-I336 PolarHBondContact O-N 3.18Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 3.24Å; I336-E339 PolarHBondContact O-N 3.36Å; I336-E339 VanDerWaalsContact O-N 3.15Å; I336-Q340 HydrophobicContact CG2-CG 4.28Å; I336-Q340 WeakPolarHBondContact O-CB 3.46Å; I336-Q340 WeakPolarHBondContact O-CG 3.37Å; I336-Q340 PolarHBondContact O-N 3.15Å
337K91.5Very high91.4Very high30 Ų3039.1 Ų39.113%0.1320%0.203CC..Hα-helixtrans-61.5-37.7178.5-67.8-59.1176.7-163.60112.3E313 L333 A334 Q340 G341 N342 E345 A346 L349E313-K337 VanDerWaalsContact OE1-CE 3.28Å; E313-K337 WeakPolarHBondContact OE1-CE 3.49Å; E313-K337 IonicContact OE1-NZ 3.78Å; E313-K337 PolarHBondContact OE1-NZ 2.87Å; E313-K337 IonicContact OE2-NZ 3.72Å; E313-K337 PolarHBondContact OE2-NZ 3.47Å; L333-K337 WeakPolarHBondContact O-CG 3.1Å; L333-K337 PolarHBondContact O-N 2.92Å; A334-K337 PolarHBondContact O-N 3.1Å; K337-Q340 PolarHBondContact O-N 2.74Å; K337-G341 PolarHBondContact O-N 3.2Å; K337-N342 HydrophobicContact CB-CB 4.3Å; K337-N342 HydrophobicContact CD-CB 4.33Å; K337-N342 WeakPolarHBondContact O-CA 3.49Å; K337-N342 PolarHBondContact O-N 3.24Å; K337-E345 HydrophobicContact CD-CG 4.36Å; K337-E345 HydrophobicContact CG-CG 4.09Å; K337-A346 HydrophobicContact CB-CB 4.06Å; K337-L349 HydrophobicContact CG-CD1 3.94Å
338R88Confident91.5Very high62 Ų6245.9 Ų45.923%0.23423%0.226CC..Hα-helixtrans-61.9-48.7172.2-175-174.971.5-173.6-0.1111.4A334 N335 I336 Q340 G341 I343 A346 N366 V370A334-R338 WeakPolarHBondContact O-CB 3.26Å; A334-R338 PolarHBondContact O-N 3.04Å; N335-R338 WeakPolarHBondContact O-CB 3.41Å; N335-R338 PolarHBondContact O-N 3.23Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 3.24Å; R338-Q340 VanDerWaalsContact C-N 3.25Å; R338-Q340 PolarHBondContact O-N 3.46Å; R338-G341 PolarHBondContact O-N 3.13Å; R338-I343 HydrophobicContact CG-CD1 4.4Å; R338-A346 HydrophobicContact CB-CB 3.97Å; R338-N366 PolarHBondContact NH1-OD1 3.45Å; R338-V370 HydrophobicContact CG-CG2 3.95Å
339E85.2Confident91.6Very high114 Ų11442.5 Ų42.553%0.53321%0.208SC..Hα-helixtrans-62.8-30.9178.1-72.5165-163.800112.5K304 N335 I336 G341K304-E339 WeakPolarHBondContact CE-OE2 3.41Å; K304-E339 IonicContact NZ-OE1 3.96Å; K304-E339 PolarHBondContact NZ-OE1 3.45Å; K304-E339 IonicContact NZ-OE2 2.7Å; K304-E339 PolarHBondContact NZ-OE2 3.12Å; N335-E339 VanDerWaalsContact O-CG 3.31Å; N335-E339 WeakPolarHBondContact O-CG 3.46Å; N335-E339 PolarHBondContact O-N 2.99Å; I336-E339 PolarHBondContact O-N 3.36Å; I336-E339 VanDerWaalsContact O-N 3.15Å; E339-G341 VanDerWaalsContact C-N 3.29Å; E339-G341 PolarHBondContact O-N 3.15Å
340Q85.4Confident91.7Very high82 Ų8242.5 Ų42.538%0.38321%0.208SC..THydrogen-bonded Turntrans-78.5-5.5173-69.5172.6-7.200113.9E313 I336 K337 R338 N342E313-Q340 PolarHBondContact OE2-NE2 3.04Å; I336-Q340 HydrophobicContact CG2-CG 4.28Å; I336-Q340 WeakPolarHBondContact O-CB 3.46Å; I336-Q340 WeakPolarHBondContact O-CG 3.37Å; I336-Q340 PolarHBondContact O-N 3.15Å; K337-Q340 PolarHBondContact O-N 2.74Å; R338-Q340 VanDerWaalsContact C-N 3.25Å; R338-Q340 PolarHBondContact O-N 3.46Å; Q340-N342 VanDerWaalsContact C-N 3.35Å
341G79.1Confident91.7Very high48 Ų4847.5 Ų47.550%0.49523%0.227SC..THydrogen-bonded Turntrans81.74.8-17700000115.4K337 R338 E339 I343K337-G341 PolarHBondContact O-N 3.2Å; R338-G341 PolarHBondContact O-N 3.13Å; E339-G341 VanDerWaalsContact C-N 3.29Å; E339-G341 PolarHBondContact O-N 3.15Å; G341-I343 VanDerWaalsContact C-N 3.27Å; G341-I343 PolarHBondContact O-N 2.86Å
342N87.7Confident91.7Very high77 Ų7751.5 Ų51.541%0.41224%0.244SC..  trans-82.769.8176.3-66.6-42.5000110.3K337 Q340 E345 A346K337-N342 HydrophobicContact CB-CB 4.3Å; K337-N342 HydrophobicContact CD-CB 4.33Å; K337-N342 WeakPolarHBondContact O-CA 3.49Å; K337-N342 PolarHBondContact O-N 3.24Å; Q340-N342 VanDerWaalsContact C-N 3.35Å; N342-E345 HydrophobicContact CB-CB 4.37Å; N342-E345 PolarHBondContact O-N 2.85Å; N342-A346 PolarHBondContact O-N 3.25Å
343I86.5Confident91.8Very high39 Ų3950.1 Ų50.120%0.224%0.237CC..Hα-helixtrans-65.3-43.2-167-55.8-54.4000112.7R338 G341 E345 A346 V347 V370 Q374R338-I343 HydrophobicContact CG-CD1 4.4Å; G341-I343 VanDerWaalsContact C-N 3.27Å; G341-I343 PolarHBondContact O-N 2.86Å; I343-E345 VanDerWaalsContact C-N 3.28Å; I343-E345 PolarHBondContact O-N 3.13Å; I343-A346 PolarHBondContact O-N 3.37Å; I343-V347 WeakPolarHBondContact O-CG2 3.45Å; I343-V347 PolarHBondContact O-N 3.34Å; I343-V370 HydrophobicContact CG2-CG1 3.49Å; I343-V370 VanDerWaalsContact CG2-CG1 3.49Å; I343-Q374 HydrophobicContact CG2-CG 4.45Å
344E89Confident91.8Very high145 Ų14550.8 Ų50.868%0.67824%0.24SC*.Hα-helixtrans-61.4-41.3-179.2-66.470.9-154.200111.3V347 R348E344-V347 PolarHBondContact O-N 2.9Å; E344-R348 PolarHBondContact O-N 3.06Å
345E90.8Very high91.8Very high59 Ų5958 Ų5828%0.27627%0.274SS..Hα-helixtrans-69.5-40.7179.3-17656.5-161.700111.4K337 N342 I343 V347 R348 L349K337-E345 HydrophobicContact CD-CG 4.36Å; K337-E345 HydrophobicContact CG-CG 4.09Å; N342-E345 HydrophobicContact CB-CB 4.37Å; N342-E345 PolarHBondContact O-N 2.85Å; I343-E345 VanDerWaalsContact C-N 3.28Å; I343-E345 PolarHBondContact O-N 3.13Å; E345-V347 PolarHBondContact O-N 3.42Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 WeakPolarHBondContact O-CB 3.45Å; E345-R348 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE1-CZ 2.77Å; E345-R348 IonicContact OE1-NE 3.38Å; E345-R348 PolarHBondContact OE1-NE 3Å; E345-R348 IonicContact OE1-NH2 3.93Å; E345-R348 PolarHBondContact OE1-NH2 3.4Å; E345-R348 IonicContact OE2-CZ 2.88Å; E345-R348 IonicContact OE2-NE 3.27Å; E345-R348 PolarHBondContact OE2-NE 2.71Å; E345-R348 IonicContact OE2-NH2 3.9Å; E345-R348 PolarHBondContact OE2-NH2 3.19Å; E345-R348 VanDerWaalsContact OE2-NH2 3.08Å; E345-L349 HydrophobicContact CG-CD1 4.21Å; E345-L349 WeakPolarHBondContact O-CG 3.49Å; E345-L349 PolarHBondContact O-N 2.83Å
346A93.6Very high91.9Very high0 Ų059.7 Ų59.70%028%0.284CS..Hα-helixtrans-58.5-47173.400000111.7A334 K337 R338 N342 I343 R348 L349 Y350A334-A346 WeakPolarHBondContact O-CB 3.11Å; K337-A346 HydrophobicContact CB-CB 4.06Å; R338-A346 HydrophobicContact CB-CB 3.97Å; N342-A346 PolarHBondContact O-N 3.25Å; I343-A346 PolarHBondContact O-N 3.37Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 3.5Å; A346-L349 PolarHBondContact O-N 3.48Å; A346-Y350 HydrophobicContact CB-CE2 4.18Å; A346-Y350 WeakPolarHBondContact O-CD2 3.49Å; A346-Y350 PolarHBondContact O-N 3.3Å
347V94.4Very high92Very high9 Ų964.4 Ų64.46%0.05531%0.305CS..Hα-helixtrans-59.5-42.9177.11710000111.4I343 E344 E345 Y350 R351 L367 V370I343-V347 WeakPolarHBondContact O-CG2 3.45Å; I343-V347 PolarHBondContact O-N 3.34Å; E344-V347 PolarHBondContact O-N 2.9Å; E345-V347 PolarHBondContact O-N 3.42Å; V347-Y350 PolarHBondContact O-N 3.29Å; V347-R351 WeakPolarHBondContact O-CG 3.4Å; V347-R351 PolarHBondContact O-N 3.46Å; V347-L367 HydrophobicContact CB-CD1 4.42Å; V347-L367 HydrophobicContact CG1-CD1 3.99Å; V347-L367 HydrophobicContact CG2-CD1 4.27Å; V347-V370 HydrophobicContact CG2-CB 4.38Å; V347-V370 HydrophobicContact CG2-CG1 3.51Å
348R95.9Very high92.2Very high154 Ų15466.5 Ų66.558%0.58132%0.322SS*.Hα-helixtrans-60.5-45.4177-171.9-179.973.31464.3111.6E344 E345 A346 R351 K352E344-R348 PolarHBondContact O-N 3.06Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 WeakPolarHBondContact O-CB 3.45Å; E345-R348 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE1-CZ 2.77Å; E345-R348 IonicContact OE1-NE 3.38Å; E345-R348 PolarHBondContact OE1-NE 3Å; E345-R348 IonicContact OE1-NH2 3.93Å; E345-R348 PolarHBondContact OE1-NH2 3.4Å; E345-R348 IonicContact OE2-CZ 2.88Å; E345-R348 IonicContact OE2-NE 3.27Å; E345-R348 PolarHBondContact OE2-NE 2.71Å; E345-R348 IonicContact OE2-NH2 3.9Å; E345-R348 PolarHBondContact OE2-NH2 3.19Å; E345-R348 VanDerWaalsContact OE2-NH2 3.08Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 3.5Å; R348-R351 PolarHBondContact O-N 2.92Å; R348-K352 PolarHBondContact O-N 3.23Å
349L96.6Very high92.5Very high12 Ų1267.6 Ų67.66%0.06333%0.33CS..Hα-helixtrans-67.6-41.8179.9-70.9169.2000112.5L330 L333 A334 K337 E345 A346 R351 K352 A353L330-L349 HydrophobicContact CD2-CD2 3.99Å; L333-L349 HydrophobicContact CB-CD1 4.28Å; L333-L349 HydrophobicContact CD2-CD1 3.95Å; L333-L349 HydrophobicContact CD2-CD2 4.23Å; L333-L349 HydrophobicContact CG-CD1 3.75Å; A334-L349 HydrophobicContact CB-CB 3.59Å; A334-L349 HydrophobicContact CB-CD1 4.41Å; K337-L349 HydrophobicContact CG-CD1 3.94Å; E345-L349 HydrophobicContact CG-CD1 4.21Å; E345-L349 WeakPolarHBondContact O-CG 3.49Å; E345-L349 PolarHBondContact O-N 2.83Å; A346-L349 PolarHBondContact O-N 3.48Å; L349-R351 PolarHBondContact O-N 2.81Å; L349-K352 PolarHBondContact O-N 2.86Å; L349-A353 PolarHBondContact O-N 3.11Å
350Y97.2Very high93Very high0 Ų063.4 Ų63.40%031%0.31CS..Hα-helixtrans-61.4-43.5173.9-69.9-55.9000112.1N331 A334 N335 A346 V347 K352 A353 L354 N366 L367 V370N331-Y350 WeakPolarHBondContact OD1-CE1 3.33Å; A334-Y350 HydrophobicContact CB-CD1 3.5Å; A334-Y350 HydrophobicContact CB-CD2 3.93Å; A334-Y350 HydrophobicContact CB-CE1 3.39Å; A334-Y350 HydrophobicContact CB-CE2 3.83Å; A334-Y350 HydrophobicContact CB-CG 3.76Å; N335-Y350 WeakPolarHBondContact CA-OH 3.48Å; N335-Y350 PolarHBondContact N-OH 2.67Å; N335-Y350 WeakPolarHBondContact OD1-CE1 3.3Å; N335-Y350 PolarHBondContact OD1-OH 3.17Å; A346-Y350 HydrophobicContact CB-CE2 4.18Å; A346-Y350 WeakPolarHBondContact O-CD2 3.49Å; A346-Y350 PolarHBondContact O-N 3.3Å; V347-Y350 PolarHBondContact O-N 3.29Å; Y350-K352 VanDerWaalsContact C-N 3.34Å; Y350-K352 PolarHBondContact O-N 3.05Å; Y350-A353 WeakPolarHBondContact O-CB 3.5Å; Y350-A353 PolarHBondContact O-N 3.02Å; Y350-L354 WeakPolarHBondContact O-CG 3.31Å; Y350-L354 PolarHBondContact O-N 2.92Å; Y350-N366 HydrophobicContact CD1-CB 4.15Å; Y350-N366 HydrophobicContact CE1-CB 3.46Å; Y350-N366 VanDerWaalsContact CE1-CB 3.46Å; Y350-N366 HydrophobicContact CE2-CB 4.32Å; Y350-L367 HydrophobicContact CD2-CB 4.36Å; Y350-L367 HydrophobicContact CD2-CD1 4.39Å; Y350-L367 HydrophobicContact CG-CB 4.25Å; Y350-V370 HydrophobicContact CE2-CG2 4.08Å
351R96.7Very high93.4Very high107 Ų10760.1 Ų60.140%0.40430%0.297SS..Hα-helixtrans-60.8-44.5176.8-76.3177.3176160.2-2.9111.5V347 R348 L349 A353 L354 E355 L367V347-R351 WeakPolarHBondContact O-CG 3.4Å; V347-R351 PolarHBondContact O-N 3.46Å; R348-R351 PolarHBondContact O-N 2.92Å; L349-R351 PolarHBondContact O-N 2.81Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 3.45Å; R351-L354 CarbonylContact O-C 3.49Å; R351-L354 PolarHBondContact O-N 3.26Å; R351-L354 VanDerWaalsContact O-N 3.13Å; R351-E355 WeakPolarHBondContact O-CG 3.27Å; R351-E355 PolarHBondContact O-N 2.78Å; R351-L367 HydrophobicContact CG-CD2 4.09Å
352K96.1Very high94.1Very high90 Ų9059.5 Ų59.539%0.39129%0.287SS..Hα-helixtrans-62.1-37.6175.3-165.9177.7174.8-175.50112.2L330 R348 L349 Y350 L354 E355 V356L330-K352 HydrophobicContact CD1-CB 4.25Å; L330-K352 HydrophobicContact CD1-CD 4.25Å; L330-K352 HydrophobicContact CD1-CG 3.88Å; L330-K352 HydrophobicContact CD2-CB 4.48Å; L330-K352 HydrophobicContact CD2-CD 3.9Å; L330-K352 HydrophobicContact CD2-CG 4.3Å; R348-K352 PolarHBondContact O-N 3.23Å; L349-K352 PolarHBondContact O-N 2.86Å; Y350-K352 VanDerWaalsContact C-N 3.34Å; Y350-K352 PolarHBondContact O-N 3.05Å; K352-L354 VanDerWaalsContact C-N 3.32Å; K352-L354 PolarHBondContact O-N 3.43Å; K352-E355 PolarHBondContact O-N 2.89Å; K352-V356 WeakPolarHBondContact O-CG2 3.26Å; K352-V356 PolarHBondContact O-N 3.24Å
353A96.6Very high94.5Very high0 Ų055.8 Ų55.80%027%0.267CS..Hα-helixtrans-61.3-41.7174.200000111.6L330 N331 L349 Y350 R351 V356 F357 A363L330-A353 HydrophobicContact CB-CB 3.71Å; L330-A353 HydrophobicContact CD1-CB 4.43Å; N331-A353 HydrophobicContact CB-CB 4.41Å; L349-A353 PolarHBondContact O-N 3.11Å; Y350-A353 WeakPolarHBondContact O-CB 3.5Å; Y350-A353 PolarHBondContact O-N 3.02Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 3.45Å; A353-V356 PolarHBondContact O-N 2.8Å; A353-F357 PolarHBondContact O-N 3.17Å; A353-A363 HydrophobicContact CB-CB 4.48Å
354L96.3Very high95Very high19 Ų1954.8 Ų54.810%0.09926%0.262CS..Hα-helixtrans-75.2-28.2178.7-66.4177.8000113.9Y350 R351 K352 V356 F357 P358 F360 A363 H364 L367Y350-L354 WeakPolarHBondContact O-CG 3.31Å; Y350-L354 PolarHBondContact O-N 2.92Å; R351-L354 CarbonylContact O-C 3.49Å; R351-L354 PolarHBondContact O-N 3.26Å; R351-L354 VanDerWaalsContact O-N 3.13Å; K352-L354 VanDerWaalsContact C-N 3.32Å; K352-L354 PolarHBondContact O-N 3.43Å; L354-V356 VanDerWaalsContact C-N 3.3Å; L354-F357 CarbonylContact O-C 3.56Å; L354-P358 VanDerWaalsContact O-CA 3.32Å; L354-P358 WeakPolarHBondContact O-CA 3.38Å; L354-P358 WeakPolarHBondContact O-CG 3.21Å; L354-F360 HydrophobicContact CD2-CB 4.02Å; L354-A363 HydrophobicContact CD2-CB 3.68Å; L354-A363 HydrophobicContact CG-CB 4.07Å; L354-H364 WeakPolarHBondContact CD2-CD2 3.41Å; L354-L367 HydrophobicContact CD1-CD2 3.84Å
355E96Very high95.4Very high152 Ų15248.2 Ų48.271%0.7123%0.231SC*.Hα-helixtrans-64.4-38.5170.1-75.7170.1-16800111.3R351 K352R351-E355 WeakPolarHBondContact O-CG 3.27Å; R351-E355 PolarHBondContact O-N 2.78Å; K352-E355 PolarHBondContact O-N 2.89Å
356V94.5Very high95.6Very high54 Ų5447 Ų4733%0.32723%0.227SC..Hα-helixtrans-77.8-44.9179.1170.90000111.5T325 A327 L330 K352 A353 L354T325-V356 HydrophobicContact CG2-CG2 4.27Å; T325-V356 WeakPolarHBondContact O-CG1 3.48Å; A327-V356 HydrophobicContact CB-CG1 4.19Å; L330-V356 HydrophobicContact CD1-CG2 4.3Å; K352-V356 WeakPolarHBondContact O-CG2 3.26Å; K352-V356 PolarHBondContact O-N 3.24Å; A353-V356 PolarHBondContact O-N 2.8Å; L354-V356 VanDerWaalsContact C-N 3.3Å
357F95.2Very high95.8Very high99 Ų9947 Ų4743%0.43423%0.227SC..  trans-133.390.5-179.5-175.6-135000110.7A327 A353 L354 E359 F360A327-F357 HydrophobicContact CB-CB 3.89Å; A353-F357 PolarHBondContact O-N 3.17Å; L354-F357 CarbonylContact O-C 3.56Å; F357-E359 VanDerWaalsContact C-N 3.3Å; F357-E359 HydrophobicContact CE2-CB 3.92Å; F357-E359 HydrophobicContact CZ-CB 3.97Å; F357-E359 PolarHBondContact O-N 3.04Å; F357-F360 HydrophobicContact CD1-CB 3.46Å; F357-F360 VanDerWaalsContact CD1-CB 3.46Å; F357-F360 HydrophobicContact CD1-CD1 4.07Å; F357-F360 HydrophobicContact CD1-CD2 4.43Å; F357-F360 AromaticContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CE1-CB 3.94Å; F357-F360 HydrophobicContact CE1-CD2 4.49Å; F357-F360 HydrophobicContact CE1-CG 4.23Å; F357-F360 HydrophobicContact CG-CB 4.25Å; F357-F360 VanDerWaalsContact O-CB 3.3Å; F357-F360 WeakPolarHBondContact O-CB 3.45Å; F357-F360 PolarHBondContact O-N 3.04Å
358P94.9Very high95.8Very high75 Ų7546.5 Ų46.549%0.48722%0.224SC..THydrogen-bonded Turntrans-62.3-32-177.8-26.835.4000114.3L354 F360 H364L354-P358 VanDerWaalsContact O-CA 3.32Å; L354-P358 WeakPolarHBondContact O-CA 3.38Å; L354-P358 WeakPolarHBondContact O-CG 3.21Å; P358-F360 PolarHBondContact O-N 3.4Å; P358-F360 VanDerWaalsContact O-N 3.08Å; P358-H364 PolarHBondContact O-NE2 3.08Å
359E94.9Very high95.7Very high85 Ų8540.4 Ų40.440%0.39721%0.205SC..THydrogen-bonded Turntrans-83.531179.4-61-70.6122.600112.4F357 A361 R389 I390F357-E359 VanDerWaalsContact C-N 3.3Å; F357-E359 HydrophobicContact CE2-CB 3.92Å; F357-E359 HydrophobicContact CZ-CB 3.97Å; F357-E359 PolarHBondContact O-N 3.04Å; E359-A361 PolarHBondContact O-N 3.35Å; E359-R389 IonicContact OE1-CZ 2.78Å; E359-R389 IonicContact OE1-NH1 3.12Å; E359-R389 PolarHBondContact OE1-NH1 3.34Å; E359-R389 IonicContact OE1-NH2 3.49Å; E359-R389 PolarHBondContact OE1-NH2 3.29Å; E359-R389 IonicContact OE2-CZ 3.69Å; E359-R389 IonicContact OE2-NH1 2.71Å; E359-R389 PolarHBondContact OE2-NH1 2.85Å; E359-R389 IonicContact OE2-NH2 3.69Å; E359-I390 HydrophobicContact CB-CG2 4.33Å; E359-I390 WeakPolarHBondContact O-CG2 3.37Å
360F94.9Very high95.4Very high25 Ų2539.8 Ų39.811%0.1120%0.202CC..  trans-92.784.6178.8-157.8172.1000112A327 D328 N331 L354 F357 P358 A362 A363 H364A327-F360 HydrophobicContact CB-CD1 4.28Å; A327-F360 HydrophobicContact CB-CE1 4.27Å; D328-F360 WeakPolarHBondContact OD1-CZ 3.33Å; N331-F360 HydrophobicContact CB-CD1 4.47Å; N331-F360 HydrophobicContact CB-CE1 3.66Å; N331-F360 HydrophobicContact CB-CZ 4.05Å; L354-F360 HydrophobicContact CD2-CB 4.02Å; F357-F360 HydrophobicContact CD1-CB 3.46Å; F357-F360 VanDerWaalsContact CD1-CB 3.46Å; F357-F360 HydrophobicContact CD1-CD1 4.07Å; F357-F360 HydrophobicContact CD1-CD2 4.43Å; F357-F360 AromaticContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CE1-CB 3.94Å; F357-F360 HydrophobicContact CE1-CD2 4.49Å; F357-F360 HydrophobicContact CE1-CG 4.23Å; F357-F360 HydrophobicContact CG-CB 4.25Å; F357-F360 VanDerWaalsContact O-CB 3.3Å; F357-F360 WeakPolarHBondContact O-CB 3.45Å; F357-F360 PolarHBondContact O-N 3.04Å; P358-F360 PolarHBondContact O-N 3.4Å; P358-F360 VanDerWaalsContact O-N 3.08Å; F360-A362 VanDerWaalsContact C-N 3.29Å; F360-A362 HydrophobicContact CD2-CB 4.16Å; F360-A362 HydrophobicContact CE2-CB 3.89Å; F360-A362 PolarHBondContact O-N 3.05Å; F360-A363 HydrophobicContact CB-CB 4.02Å; F360-A363 HydrophobicContact CD1-CB 3.76Å; F360-A363 HydrophobicContact CD2-CB 4.43Å; F360-A363 HydrophobicContact CE1-CB 4.38Å; F360-A363 HydrophobicContact CG-CB 3.79Å; F360-A363 PolarHBondContact O-N 3.32Å; F360-A363 VanDerWaalsContact O-N 3.1Å; F360-H364 PolarHBondContact O-N 3.41Å; F360-H364 VanDerWaalsContact O-N 3.1Å
361A95Very high95.1Very high14 Ų1439.8 Ų39.812%0.11620%0.202CC..Hα-helixtrans-53.2-41.4-17600000114E359 H364 S365 A387 I390 F394E359-A361 PolarHBondContact O-N 3.35Å; A361-H364 PolarHBondContact O-N 3.4Å; A361-S365 PolarHBondContact O-N 3.16Å; A361-A387 WeakPolarHBondContact O-CB 3.32Å; A361-I390 HydrophobicContact CB-CB 4.07Å; A361-I390 HydrophobicContact CB-CG2 3.87Å; A361-F394 HydrophobicContact CB-CD1 4.23Å; A361-F394 HydrophobicContact CB-CE1 4.43Å
362A94Very high94.7Very high34 Ų3436.2 Ų36.228%0.28119%0.189SC..Hα-helixtrans-64.9-41.6179.500000112.5F360 S365 N366F360-A362 VanDerWaalsContact C-N 3.29Å; F360-A362 HydrophobicContact CD2-CB 4.16Å; F360-A362 HydrophobicContact CE2-CB 3.89Å; F360-A362 PolarHBondContact O-N 3.05Å; A362-S365 PolarHBondContact O-N 3.15Å; A362-N366 WeakPolarHBondContact O-CB 3.33Å; A362-N366 PolarHBondContact O-N 2.88Å; A362-N366 PolarHBondContact O-ND2 3.42Å
363A95.5Very high94.1Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-67-39.6177.400000111.7N331 A353 L354 F360 N366 L367N331-A363 HydrophobicContact CB-CB 4.45Å; N331-A363 WeakPolarHBondContact OD1-CA 3.39Å; A353-A363 HydrophobicContact CB-CB 4.48Å; L354-A363 HydrophobicContact CD2-CB 3.68Å; L354-A363 HydrophobicContact CG-CB 4.07Å; F360-A363 HydrophobicContact CB-CB 4.02Å; F360-A363 HydrophobicContact CD1-CB 3.76Å; F360-A363 HydrophobicContact CD2-CB 4.43Å; F360-A363 HydrophobicContact CE1-CB 4.38Å; F360-A363 HydrophobicContact CG-CB 3.79Å; F360-A363 PolarHBondContact O-N 3.32Å; F360-A363 VanDerWaalsContact O-N 3.1Å; A363-N366 PolarHBondContact O-N 3.33Å; A363-L367 VanDerWaalsContact O-CB 3.25Å; A363-L367 WeakPolarHBondContact O-CB 3.37Å; A363-L367 PolarHBondContact O-N 3.37Å
364H97.7Very high93.3Very high18 Ų1841.3 Ų41.38%0.08321%0.214CC..Hα-helixtrans-57.9-49.9171.2-89.8-82.2000111.9L354 P358 F360 A361 L367 A368 H383 E386 A387L354-H364 WeakPolarHBondContact CD2-CD2 3.41Å; P358-H364 PolarHBondContact O-NE2 3.08Å; F360-H364 PolarHBondContact O-N 3.41Å; F360-H364 VanDerWaalsContact O-N 3.1Å; A361-H364 PolarHBondContact O-N 3.4Å; H364-L367 PolarHBondContact O-N 2.82Å; H364-A368 VanDerWaalsContact O-CB 3.31Å; H364-A368 WeakPolarHBondContact O-CB 3.44Å; H364-A368 PolarHBondContact O-N 3.1Å; H364-H383 AromaticContact CE1-ND1 3.58Å; H364-H383 AromaticContact ND1-CG 3.88Å; H364-H383 AromaticContact ND1-ND1 3.05Å; H364-H383 PolarHBondContact ND1-ND1 3.05Å; H364-E386 WeakPolarHBondContact ND1-CB 3.4Å; H364-A387 HydrophobicContact CB-CB 3.84Å
365S96.3Very high92.5Very high6 Ų642.7 Ų42.74%0.04223%0.234CC..Hα-helixtrans-63.2-43.1179.6-173.40000112.6A361 A362 A368 S369A361-S365 PolarHBondContact O-N 3.16Å; A362-S365 PolarHBondContact O-N 3.15Å; S365-A368 WeakPolarHBondContact O-CB 3.24Å; S365-A368 PolarHBondContact O-N 2.68Å; S365-S369 PolarHBondContact O-N 2.89Å
366N95.1Very high92.1Very high33 Ų3339.5 Ų39.518%0.17622%0.218CC..Hα-helixtrans-66-42.9178-76.8-37.1000112.6N331 N335 R338 Y350 A362 A363 A368 S369 V370N331-N366 PolarHBondContact OD1-ND2 2.86Å; N335-N366 PolarHBondContact OD1-ND2 2.8Å; R338-N366 PolarHBondContact NH1-OD1 3.45Å; Y350-N366 HydrophobicContact CD1-CB 4.15Å; Y350-N366 HydrophobicContact CE1-CB 3.46Å; Y350-N366 VanDerWaalsContact CE1-CB 3.46Å; Y350-N366 HydrophobicContact CE2-CB 4.32Å; A362-N366 WeakPolarHBondContact O-CB 3.33Å; A362-N366 PolarHBondContact O-N 2.88Å; A362-N366 PolarHBondContact O-ND2 3.42Å; A363-N366 PolarHBondContact O-N 3.33Å; N366-A368 VanDerWaalsContact C-N 3.35Å; N366-S369 PolarHBondContact O-N 3.36Å; N366-V370 PolarHBondContact O-N 2.85Å
367L96.9Very high91.9Very high0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-63.1-43.2175.2177.855.9000111V347 Y350 R351 L354 A363 H364 S369 V370 L371 H383V347-L367 HydrophobicContact CB-CD1 4.42Å; V347-L367 HydrophobicContact CG1-CD1 3.99Å; V347-L367 HydrophobicContact CG2-CD1 4.27Å; Y350-L367 HydrophobicContact CD2-CB 4.36Å; Y350-L367 HydrophobicContact CD2-CD1 4.39Å; Y350-L367 HydrophobicContact CG-CB 4.25Å; R351-L367 HydrophobicContact CG-CD2 4.09Å; L354-L367 HydrophobicContact CD1-CD2 3.84Å; A363-L367 VanDerWaalsContact O-CB 3.25Å; A363-L367 WeakPolarHBondContact O-CB 3.37Å; A363-L367 PolarHBondContact O-N 3.37Å; H364-L367 PolarHBondContact O-N 2.82Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-S369 PolarHBondContact O-N 3.21Å; L367-V370 PolarHBondContact O-N 3.19Å; L367-L371 HydrophobicContact CD1-CD1 4.06Å; L367-L371 HydrophobicContact CD1-CG 4.08Å; L367-L371 HydrophobicContact CG-CD1 3.85Å; L367-L371 HydrophobicContact CG-CG 4.35Å; L367-L371 VanDerWaalsContact O-CG 3.3Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.45Å; L367-H383 VanDerWaalsContact CD2-CE1 3.47Å; L367-H383 WeakPolarHBondContact CD2-CE1 3.34Å
368A96.1Very high91.8Very high0 Ų040.1 Ų40.10%022%0.219CC..Hα-helixtrans-58-43.3175.900000111.9H364 S365 N366 V370 L371 Q372 A380 H383 Y384H364-A368 VanDerWaalsContact O-CB 3.31Å; H364-A368 WeakPolarHBondContact O-CB 3.44Å; H364-A368 PolarHBondContact O-N 3.1Å; S365-A368 WeakPolarHBondContact O-CB 3.24Å; S365-A368 PolarHBondContact O-N 2.68Å; N366-A368 VanDerWaalsContact C-N 3.35Å; A368-V370 VanDerWaalsContact C-N 3.34Å; A368-V370 PolarHBondContact O-N 2.99Å; A368-L371 PolarHBondContact O-N 3.3Å; A368-Q372 WeakPolarHBondContact O-CB 3.44Å; A368-Q372 PolarHBondContact O-N 3.07Å; A368-A380 HydrophobicContact CB-CB 4.44Å; A368-A380 WeakPolarHBondContact CB-O 3.23Å; A368-A380 VanDerWaalsContact O-CB 3.3Å; A368-A380 WeakPolarHBondContact O-CB 2.97Å; A368-H383 HydrophobicContact CB-CB 3.72Å; A368-Y384 HydrophobicContact CB-CD1 3.59Å; A368-Y384 HydrophobicContact CB-CD2 3.71Å; A368-Y384 HydrophobicContact CB-CE1 3.46Å; A368-Y384 VanDerWaalsContact CB-CE1 3.46Å; A368-Y384 HydrophobicContact CB-CE2 3.59Å; A368-Y384 HydrophobicContact CB-CG 3.7Å; A368-Y384 VanDerWaalsContact CB-CZ 3.45Å
369S92.5Very high91.7Very high25 Ų2540.2 Ų40.218%0.17521%0.213CC..Hα-helixtrans-60.5-41.8176.8-177.50000112.5S365 N366 L367 Q372 Q373 Y384S365-S369 PolarHBondContact O-N 2.89Å; N366-S369 PolarHBondContact O-N 3.36Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-S369 PolarHBondContact O-N 3.21Å; S369-Q372 WeakPolarHBondContact O-CB 3.4Å; S369-Q372 PolarHBondContact O-N 3.03Å; S369-Q373 WeakPolarHBondContact O-CG 3.45Å; S369-Q373 PolarHBondContact O-N 3.08Å; S369-Q373 VanDerWaalsContact O-N 3.12Å; S369-Y384 WeakPolarHBondContact CA-OH 3.17Å; S369-Y384 PolarHBondContact N-OH 2.95Å
370V90.3Very high91.8Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-69-41.8176.3177.50000111.7R338 I343 V347 Y350 N366 L367 A368 Q372 Q373 Q374R338-V370 HydrophobicContact CG-CG2 3.95Å; I343-V370 HydrophobicContact CG2-CG1 3.49Å; I343-V370 VanDerWaalsContact CG2-CG1 3.49Å; V347-V370 HydrophobicContact CG2-CB 4.38Å; V347-V370 HydrophobicContact CG2-CG1 3.51Å; Y350-V370 HydrophobicContact CE2-CG2 4.08Å; N366-V370 PolarHBondContact O-N 2.85Å; L367-V370 PolarHBondContact O-N 3.19Å; A368-V370 VanDerWaalsContact C-N 3.34Å; A368-V370 PolarHBondContact O-N 2.99Å; V370-Q372 VanDerWaalsContact C-N 3.29Å; V370-Q372 PolarHBondContact O-N 3.43Å; V370-Q373 WeakPolarHBondContact O-CB 3.17Å; V370-Q373 PolarHBondContact O-N 2.86Å; V370-Q374 WeakPolarHBondContact O-CG 3.49Å; V370-Q374 PolarHBondContact O-N 3.34Å
371L91.3Very high91.8Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-63-37.6176.5-71168.4000111.8L367 A368 Q374 G375 K376 E379 A380L367-L371 HydrophobicContact CD1-CD1 4.06Å; L367-L371 HydrophobicContact CD1-CG 4.08Å; L367-L371 HydrophobicContact CG-CD1 3.85Å; L367-L371 HydrophobicContact CG-CG 4.35Å; L367-L371 VanDerWaalsContact O-CG 3.3Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.45Å; A368-L371 PolarHBondContact O-N 3.3Å; L371-Q374 CarbonylContact O-C 3.13Å; L371-Q374 PolarHBondContact O-N 2.92Å; L371-G375 PolarHBondContact O-N 2.85Å; L371-K376 HydrophobicContact CB-CB 4.32Å; L371-K376 HydrophobicContact CD2-CB 4.34Å; L371-K376 HydrophobicContact CD2-CD 3.77Å; L371-K376 WeakPolarHBondContact O-CB 3.43Å; L371-K376 PolarHBondContact O-N 2.78Å; L371-E379 HydrophobicContact CD1-CB 4Å; L371-A380 HydrophobicContact CB-CB 4.06Å
372Q88.8Confident91.9Very high31 Ų3139.9 Ų39.915%0.14521%0.211CC..Hα-helixtrans-60.4-47.7173.3-175-172.35.400110.7A368 S369 V370 Q374 G375 L377 A380 Y384 T404A368-Q372 WeakPolarHBondContact O-CB 3.44Å; A368-Q372 PolarHBondContact O-N 3.07Å; S369-Q372 WeakPolarHBondContact O-CB 3.4Å; S369-Q372 PolarHBondContact O-N 3.03Å; V370-Q372 VanDerWaalsContact C-N 3.29Å; V370-Q372 PolarHBondContact O-N 3.43Å; Q372-Q374 PolarHBondContact O-N 2.94Å; Q372-G375 WeakPolarHBondContact O-CA 3.34Å; Q372-G375 PolarHBondContact O-N 3.13Å; Q372-L377 HydrophobicContact CG-CD2 3.99Å; Q372-A380 HydrophobicContact CB-CB 4.04Å; Q372-Y384 PolarHBondContact OE1-OH 3.41Å; Q372-T404 HydrophobicContact CG-CG2 4.46Å; Q372-T404 PolarHBondContact NE2-OG1 3.32Å; Q372-T404 PolarHBondContact OE1-OG1 2.95Å
373Q82.5Confident92.1Very high136 Ų13639.4 Ų39.464%0.63620%0.203SC*.Hα-helixtrans-60.9-31.4176.2-701733.100112.8S369 V370 G375S369-Q373 WeakPolarHBondContact O-CG 3.45Å; S369-Q373 PolarHBondContact O-N 3.08Å; S369-Q373 VanDerWaalsContact O-N 3.12Å; V370-Q373 WeakPolarHBondContact O-CB 3.17Å; V370-Q373 PolarHBondContact O-N 2.86Å; Q373-G375 PolarHBondContact O-N 2.87Å
374Q81.3Confident92.2Very high61 Ų6139.4 Ų39.429%0.28520%0.203SC..THydrogen-bonded Turntrans-77.10.4172.6-68.2-175.2-15.400113.8I343 V370 L371 Q372 K376I343-Q374 HydrophobicContact CG2-CG 4.45Å; V370-Q374 WeakPolarHBondContact O-CG 3.49Å; V370-Q374 PolarHBondContact O-N 3.34Å; L371-Q374 CarbonylContact O-C 3.13Å; L371-Q374 PolarHBondContact O-N 2.92Å; Q372-Q374 PolarHBondContact O-N 2.94Å; Q374-K376 VanDerWaalsContact C-N 3.27Å; Q374-K376 HydrophobicContact CB-CD 4.44Å; Q374-K376 HydrophobicContact CB-CG 4.43Å; Q374-K376 PolarHBondContact O-N 2.83Å
375G78.7Confident92.2Very high49 Ų4944.6 Ų44.651%0.50523%0.225SC..THydrogen-bonded Turntrans75.28.9-176.700000114.6L371 Q372 Q373 L377L371-G375 PolarHBondContact O-N 2.85Å; Q372-G375 WeakPolarHBondContact O-CA 3.34Å; Q372-G375 PolarHBondContact O-N 3.13Å; Q373-G375 PolarHBondContact O-N 2.87Å; G375-L377 PolarHBondContact O-N 2.82Å
376K87.1Confident92.2Very high85 Ų8547.3 Ų47.337%0.3724%0.237SC..  trans-85.560.7178.1-64.6174.2178.7171.60110.7L371 Q374 Q378 E379 A380L371-K376 HydrophobicContact CB-CB 4.32Å; L371-K376 HydrophobicContact CD2-CB 4.34Å; L371-K376 HydrophobicContact CD2-CD 3.77Å; L371-K376 WeakPolarHBondContact O-CB 3.43Å; L371-K376 PolarHBondContact O-N 2.78Å; Q374-K376 VanDerWaalsContact C-N 3.27Å; Q374-K376 HydrophobicContact CB-CD 4.44Å; Q374-K376 HydrophobicContact CB-CG 4.43Å; Q374-K376 PolarHBondContact O-N 2.83Å; K376-Q378 VanDerWaalsContact C-N 3.32Å; K376-Q378 PolarHBondContact O-N 3.46Å; K376-E379 HydrophobicContact CB-CB 4.34Å; K376-E379 PolarHBondContact O-N 3.37Å; K376-A380 PolarHBondContact O-N 2.56Å
377L90Very high92.3Very high31 Ų3145.7 Ų45.716%0.16223%0.229CC..Hα-helixtrans-60.1-37.6-168.1-53.5179.5000113.2Q372 G375 A380 L381 T404 E407 M408Q372-L377 HydrophobicContact CG-CD2 3.99Å; G375-L377 PolarHBondContact O-N 2.82Å; L377-A380 PolarHBondContact O-N 2.81Å; L377-L381 WeakPolarHBondContact O-CG 3.22Å; L377-L381 PolarHBondContact O-N 3.09Å; L377-T404 HydrophobicContact CB-CG2 4.07Å; L377-T404 HydrophobicContact CD2-CG2 4.16Å; L377-E407 HydrophobicContact CD1-CB 4.38Å; L377-E407 HydrophobicContact CD1-CG 3.91Å; L377-E407 HydrophobicContact CD2-CG 4.45Å; L377-E407 WeakPolarHBondContact CD2-OE2 3.5Å; L377-M408 HydrophobicContact CB-CG 3.84Å; L377-M408 HydrophobicContact CB-SD 3.65Å; L377-M408 HydrophobicContact CD1-CG 3.56Å; L377-M408 HydrophobicContact CG-CG 4.32Å
378Q93Very high92.3Very high134 Ų13446.6 Ų46.663%0.62623%0.233SC*.Hα-helixtrans-67.3-42.5178.4-67.2-67.5-8.700112.7K376 A380 L381 M382K376-Q378 VanDerWaalsContact C-N 3.32Å; K376-Q378 PolarHBondContact O-N 3.46Å; Q378-A380 VanDerWaalsContact C-N 3.34Å; Q378-L381 PolarHBondContact O-N 3.25Å; Q378-M382 PolarHBondContact O-N 3.25Å; Q378-M382 VanDerWaalsContact O-N 3.14Å
379E94.3Very high92.4Very high77 Ų7752.7 Ų52.736%0.3626%0.256SS..Hα-helixtrans-65.9-40.5175.5-65.9178.8-119.500110.5L371 K376 L381 M382 H383L371-E379 HydrophobicContact CD1-CB 4Å; K376-E379 HydrophobicContact CB-CB 4.34Å; K376-E379 PolarHBondContact O-N 3.37Å; E379-L381 PolarHBondContact O-N 3.05Å; E379-M382 WeakPolarHBondContact O-CB 3.44Å; E379-M382 PolarHBondContact O-N 3.41Å; E379-H383 PolarHBondContact O-CD2 3.45Å; E379-H383 VanDerWaalsContact O-CD2 3.3Å; E379-H383 PolarHBondContact O-N 3.37Å; E379-H383 VanDerWaalsContact O-N 3.13Å
380A95.9Very high92.6Very high0 Ų053.3 Ų53.30%026%0.257CS..Hα-helixtrans-58.5-46.8174.900000112A368 L371 Q372 K376 L377 Q378 M382 H383 Y384 T404A368-A380 HydrophobicContact CB-CB 4.44Å; A368-A380 WeakPolarHBondContact CB-O 3.23Å; A368-A380 VanDerWaalsContact O-CB 3.3Å; A368-A380 WeakPolarHBondContact O-CB 2.97Å; L371-A380 HydrophobicContact CB-CB 4.06Å; Q372-A380 HydrophobicContact CB-CB 4.04Å; K376-A380 PolarHBondContact O-N 2.56Å; L377-A380 PolarHBondContact O-N 2.81Å; Q378-A380 VanDerWaalsContact C-N 3.34Å; A380-M382 VanDerWaalsContact C-N 3.31Å; A380-M382 PolarHBondContact O-N 3.32Å; A380-H383 PolarHBondContact O-N 2.84Å; A380-Y384 HydrophobicContact CB-CE2 4.32Å; A380-Y384 WeakPolarHBondContact O-CD2 3.27Å; A380-Y384 PolarHBondContact O-N 3.13Å; A380-T404 HydrophobicContact CB-CG2 4.35Å
381L96.2Very high92.8Very high10 Ų1055.1 Ų55.15%0.05227%0.27CS..Hα-helixtrans-58.6-40.9175.9-75.6-178.7000112.8L377 Q378 E379 Y384 K385 M401 T404 L405 M408L377-L381 WeakPolarHBondContact O-CG 3.22Å; L377-L381 PolarHBondContact O-N 3.09Å; Q378-L381 PolarHBondContact O-N 3.25Å; E379-L381 PolarHBondContact O-N 3.05Å; L381-Y384 PolarHBondContact O-N 3.22Å; L381-K385 WeakPolarHBondContact O-CB 3.45Å; L381-K385 VanDerWaalsContact O-CG 3.31Å; L381-K385 WeakPolarHBondContact O-CG 3.04Å; L381-K385 PolarHBondContact O-N 2.83Å; L381-M401 HydrophobicContact CD2-CG 3.66Å; L381-T404 HydrophobicContact CD2-CG2 3.87Å; L381-T404 HydrophobicContact CG-CG2 3.9Å; L381-L405 HydrophobicContact CD1-CD2 3.78Å; L381-L405 HydrophobicContact CD2-CD2 3.69Å; L381-L405 HydrophobicContact CD2-CG 3.8Å; L381-L405 HydrophobicContact CG-CD2 4.41Å; L381-M408 HydrophobicContact CD1-CE 3.75Å; L381-M408 HydrophobicContact CD1-SD 3.41Å; L381-M408 WeakPolarHBondContact CD1-SD 3.31Å; L381-M408 HydrophobicContact CG-SD 4.12Å
382M96.7Very high93.1Very high107 Ų10758.5 Ų58.553%0.52729%0.292SS..Hα-helixtrans-59.7-47.6177.1-175-17272.900110.8Q378 E379 A380 K385 E386Q378-M382 PolarHBondContact O-N 3.25Å; Q378-M382 VanDerWaalsContact O-N 3.14Å; E379-M382 WeakPolarHBondContact O-CB 3.44Å; E379-M382 PolarHBondContact O-N 3.41Å; A380-M382 VanDerWaalsContact C-N 3.31Å; A380-M382 PolarHBondContact O-N 3.32Å; M382-K385 PolarHBondContact O-N 3.47Å; M382-E386 PolarHBondContact O-N 2.97Å; M382-E386 VanDerWaalsContact O-N 3.12Å
383H97.7Very high93.4Very high24 Ų2461.9 Ų61.911%0.11131%0.314CS..Hα-helixtrans-68.6-37179.5-77-77000113H364 L367 A368 E379 A380 K385 E386 A387H364-H383 AromaticContact CE1-ND1 3.58Å; H364-H383 AromaticContact ND1-CG 3.88Å; H364-H383 AromaticContact ND1-ND1 3.05Å; H364-H383 PolarHBondContact ND1-ND1 3.05Å; L367-H383 VanDerWaalsContact CD2-CE1 3.47Å; L367-H383 WeakPolarHBondContact CD2-CE1 3.34Å; A368-H383 HydrophobicContact CB-CB 3.72Å; E379-H383 PolarHBondContact O-CD2 3.45Å; E379-H383 VanDerWaalsContact O-CD2 3.3Å; E379-H383 PolarHBondContact O-N 3.37Å; E379-H383 VanDerWaalsContact O-N 3.13Å; A380-H383 PolarHBondContact O-N 2.84Å; H383-K385 VanDerWaalsContact C-N 3.35Å; H383-K385 PolarHBondContact O-N 3.43Å; H383-E386 PolarHBondContact O-N 3.01Å; H383-A387 PolarHBondContact O-N 2.73Å
384Y97.8Very high94Very high0 Ų057.8 Ų57.80%030%0.295CS..Hα-helixtrans-63-40172.7-73.9-52.9000112.5A368 S369 Q372 A380 L381 E386 A387 I388 N400 M401 T404A368-Y384 HydrophobicContact CB-CD1 3.59Å; A368-Y384 HydrophobicContact CB-CD2 3.71Å; A368-Y384 HydrophobicContact CB-CE1 3.46Å; A368-Y384 VanDerWaalsContact CB-CE1 3.46Å; A368-Y384 HydrophobicContact CB-CE2 3.59Å; A368-Y384 HydrophobicContact CB-CG 3.7Å; A368-Y384 VanDerWaalsContact CB-CZ 3.45Å; S369-Y384 WeakPolarHBondContact CA-OH 3.17Å; S369-Y384 PolarHBondContact N-OH 2.95Å; Q372-Y384 PolarHBondContact OE1-OH 3.41Å; A380-Y384 HydrophobicContact CB-CE2 4.32Å; A380-Y384 WeakPolarHBondContact O-CD2 3.27Å; A380-Y384 PolarHBondContact O-N 3.13Å; L381-Y384 PolarHBondContact O-N 3.22Å; Y384-E386 VanDerWaalsContact C-N 3.34Å; Y384-E386 PolarHBondContact O-N 3.31Å; Y384-A387 PolarHBondContact O-N 2.71Å; Y384-I388 WeakPolarHBondContact O-CG1 3.24Å; Y384-I388 PolarHBondContact O-N 3.1Å; Y384-N400 HydrophobicContact CD1-CB 4.44Å; Y384-N400 HydrophobicContact CE1-CB 3.57Å; Y384-N400 HydrophobicContact CE2-CB 4.34Å; Y384-N400 WeakPolarHBondContact OH-CB 3.39Å; Y384-M401 HydrophobicContact CD2-CB 4.05Å; Y384-M401 HydrophobicContact CD2-CG 4.35Å; Y384-M401 HydrophobicContact CG-CB 3.96Å; Y384-M401 HydrophobicContact CG-CG 4.4Å; Y384-T404 WeakPolarHBondContact CE2-OG1 3.3Å
385K97.2Very high94.6Very high127 Ų12755.2 Ų55.255%0.55228%0.284SS*.Hα-helixtrans-61.2-42.2175.8-75.8175-179.2179.10111.8L381 M382 H383 I388 R389 M401L381-K385 WeakPolarHBondContact O-CB 3.45Å; L381-K385 VanDerWaalsContact O-CG 3.31Å; L381-K385 WeakPolarHBondContact O-CG 3.04Å; L381-K385 PolarHBondContact O-N 2.83Å; M382-K385 PolarHBondContact O-N 3.47Å; H383-K385 VanDerWaalsContact C-N 3.35Å; H383-K385 PolarHBondContact O-N 3.43Å; K385-I388 PolarHBondContact O-N 3.15Å; K385-R389 WeakPolarHBondContact O-CB 3.46Å; K385-R389 PolarHBondContact O-N 2.97Å; K385-M401 HydrophobicContact CG-SD 4.02Å
386E97.5Very high95.3Very high63 Ų6356.6 Ų56.629%0.29428%0.28SS..Hα-helixtrans-64.6-44.8174.3-72.7-52.912100112H364 M382 H383 Y384 I388 R389 I390H364-E386 WeakPolarHBondContact ND1-CB 3.4Å; M382-E386 PolarHBondContact O-N 2.97Å; M382-E386 VanDerWaalsContact O-N 3.12Å; H383-E386 PolarHBondContact O-N 3.01Å; Y384-E386 VanDerWaalsContact C-N 3.34Å; Y384-E386 PolarHBondContact O-N 3.31Å; E386-I388 PolarHBondContact O-N 3.34Å; E386-R389 WeakPolarHBondContact O-CB 3.27Å; E386-R389 PolarHBondContact O-N 2.94Å; E386-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 IonicContact OE1-NE 2.74Å; E386-R389 IonicContact OE2-CZ 2.64Å; E386-R389 IonicContact OE2-NE 2.92Å; E386-R389 PolarHBondContact OE2-NE 3.44Å; E386-R389 IonicContact OE2-NH2 3.92Å; E386-R389 PolarHBondContact OE2-NH2 3.19Å; E386-I390 WeakPolarHBondContact O-CD1 3.41Å; E386-I390 WeakPolarHBondContact O-CG1 3.5Å; E386-I390 PolarHBondContact O-N 2.64Å
387A97.4Very high95.7Very high0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-55.8-41.3175.500000112.3A361 H364 H383 Y384 S391 F394 A397A361-A387 WeakPolarHBondContact O-CB 3.32Å; H364-A387 HydrophobicContact CB-CB 3.84Å; H383-A387 PolarHBondContact O-N 2.73Å; Y384-A387 PolarHBondContact O-N 2.71Å; A387-S391 PolarHBondContact O-N 2.86Å; A387-F394 HydrophobicContact CB-CD1 4.42Å; A387-A397 HydrophobicContact CB-CB 4.27Å
388I96.7Very high96.1Very high19 Ų1952.8 Ų52.810%0.09726%0.261CS..Hα-helixtrans-72.7-36.9178-70165.2000112Y384 K385 E386 I390 S391 P392 A397 Y398 M401Y384-I388 WeakPolarHBondContact O-CG1 3.24Å; Y384-I388 PolarHBondContact O-N 3.1Å; K385-I388 PolarHBondContact O-N 3.15Å; E386-I388 PolarHBondContact O-N 3.34Å; I388-I390 VanDerWaalsContact C-N 3.32Å; I388-S391 CarbonylContact O-C 3.56Å; I388-P392 VanDerWaalsContact O-CA 3.28Å; I388-P392 WeakPolarHBondContact O-CA 3.29Å; I388-P392 VanDerWaalsContact O-N 3.13Å; I388-A397 HydrophobicContact CD1-CB 4.46Å; I388-A397 HydrophobicContact CG1-CB 3.92Å; I388-Y398 HydrophobicContact CB-CE2 4.5Å; I388-Y398 HydrophobicContact CD1-CD1 3.83Å; I388-Y398 HydrophobicContact CD1-CD2 4.21Å; I388-Y398 HydrophobicContact CD1-CE1 3.96Å; I388-Y398 HydrophobicContact CD1-CE2 4.32Å; I388-Y398 HydrophobicContact CD1-CG 3.97Å; I388-Y398 HydrophobicContact CG1-CD2 4.12Å; I388-Y398 HydrophobicContact CG1-CE1 4.46Å; I388-Y398 HydrophobicContact CG1-CE2 4.01Å; I388-Y398 HydrophobicContact CG1-CG 4.39Å; I388-Y398 HydrophobicContact CG2-CE1 3.95Å; I388-Y398 HydrophobicContact CG2-CE2 3.77Å; I388-Y398 WeakPolarHBondContact CG2-OH 3.2Å; I388-M401 HydrophobicContact CD1-CE 3.62Å; I388-M401 HydrophobicContact CD1-SD 3.85Å
389R97.4Very high96.3Very high127 Ų12746.5 Ų46.548%0.47923%0.232SC..Hα-helixtrans-61.3-44.2174.9-175.1-169.663.272.4-3.4110.7E359 K385 E386E359-R389 IonicContact OE1-CZ 2.78Å; E359-R389 IonicContact OE1-NH1 3.12Å; E359-R389 PolarHBondContact OE1-NH1 3.34Å; E359-R389 IonicContact OE1-NH2 3.49Å; E359-R389 PolarHBondContact OE1-NH2 3.29Å; E359-R389 IonicContact OE2-CZ 3.69Å; E359-R389 IonicContact OE2-NH1 2.71Å; E359-R389 PolarHBondContact OE2-NH1 2.85Å; E359-R389 IonicContact OE2-NH2 3.69Å; K385-R389 WeakPolarHBondContact O-CB 3.46Å; K385-R389 PolarHBondContact O-N 2.97Å; E386-R389 WeakPolarHBondContact O-CB 3.27Å; E386-R389 PolarHBondContact O-N 2.94Å; E386-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 IonicContact OE1-NE 2.74Å; E386-R389 IonicContact OE2-CZ 2.64Å; E386-R389 IonicContact OE2-NE 2.92Å; E386-R389 PolarHBondContact OE2-NE 3.44Å; E386-R389 IonicContact OE2-NH2 3.92Å; E386-R389 PolarHBondContact OE2-NH2 3.19Å
390I96.6Very high96.3Very high39 Ų3945.1 Ų45.120%0.223%0.227CC..Hα-helixtrans-70.3-46.2179.8-61.4159.3000110.4E359 A361 E386 I388E359-I390 HydrophobicContact CB-CG2 4.33Å; E359-I390 WeakPolarHBondContact O-CG2 3.37Å; A361-I390 HydrophobicContact CB-CB 4.07Å; A361-I390 HydrophobicContact CB-CG2 3.87Å; E386-I390 WeakPolarHBondContact O-CD1 3.41Å; E386-I390 WeakPolarHBondContact O-CG1 3.5Å; E386-I390 PolarHBondContact O-N 2.64Å; I388-I390 VanDerWaalsContact C-N 3.32Å
391S95.2Very high96.4Very high38 Ų3846 Ų4627%0.26623%0.232SC..  trans-127.889.3-179.7-170.60000111.4A387 I388 T393 F394A387-S391 PolarHBondContact O-N 2.86Å; I388-S391 CarbonylContact O-C 3.56Å; S391-T393 PolarHBondContact O-N 3.32Å; S391-F394 VanDerWaalsContact O-CB 3.27Å; S391-F394 WeakPolarHBondContact O-CB 3.25Å; S391-F394 PolarHBondContact O-N 3.31Å
392P96.1Very high96.4Very high70 Ų7045.6 Ų45.646%0.45523%0.229SC..THydrogen-bonded Turntrans-64.6-11.7-178-25.835.7000115.1I388 Y398 I424I388-P392 VanDerWaalsContact O-CA 3.28Å; I388-P392 WeakPolarHBondContact O-CA 3.29Å; I388-P392 VanDerWaalsContact O-N 3.13Å; P392-Y398 WeakPolarHBondContact O-CE2 3.16Å; P392-I424 WeakPolarHBondContact O-CD1 3.49Å
393T95.5Very high96.2Very high102 Ų10242.6 Ų42.663%0.62622%0.215SC*.THydrogen-bonded Turntrans-100.812.3176.753.80000112.7S391 A395 I424S391-T393 PolarHBondContact O-N 3.32Å; T393-A395 PolarHBondContact O-N 3.16Å; T393-I424 WeakPolarHBondContact O-CG2 3.5Å
394F94.8Very high96Very high51 Ų5141.4 Ų41.422%0.22421%0.21CC..  trans-81.383179.9-162.6179.1000112A361 A387 S391 D396 A397 Y398A361-F394 HydrophobicContact CB-CD1 4.23Å; A361-F394 HydrophobicContact CB-CE1 4.43Å; A387-F394 HydrophobicContact CB-CD1 4.42Å; S391-F394 VanDerWaalsContact O-CB 3.27Å; S391-F394 WeakPolarHBondContact O-CB 3.25Å; S391-F394 PolarHBondContact O-N 3.31Å; F394-D396 VanDerWaalsContact C-N 3.34Å; F394-D396 HydrophobicContact CD2-CB 4.21Å; F394-D396 HydrophobicContact CE2-CB 3.88Å; F394-D396 PolarHBondContact O-N 3.36Å; F394-A397 HydrophobicContact CB-CB 4.13Å; F394-A397 HydrophobicContact CD1-CB 3.77Å; F394-A397 HydrophobicContact CD2-CB 4.43Å; F394-A397 HydrophobicContact CE1-CB 4.31Å; F394-A397 HydrophobicContact CG-CB 3.84Å; F394-A397 WeakPolarHBondContact O-CB 3.1Å; F394-A397 PolarHBondContact O-N 3.22Å; F394-A397 VanDerWaalsContact O-N 3.13Å; F394-Y398 WeakPolarHBondContact O-CD2 3.38Å; F394-Y398 PolarHBondContact O-N 3.28Å
395A95.3Very high95.9Very high7 Ų742.3 Ų42.36%0.05822%0.215CC..Hα-helixtrans-55.6-41.5-174.300000114T393 A397 Y398 S399 I424 N425 F428T393-A395 PolarHBondContact O-N 3.16Å; A395-A397 VanDerWaalsContact C-N 3.32Å; A395-A397 PolarHBondContact O-N 3.13Å; A395-Y398 PolarHBondContact O-N 3.17Å; A395-S399 PolarHBondContact O-N 2.92Å; A395-I424 HydrophobicContact CB-CB 4.26Å; A395-I424 HydrophobicContact CB-CG2 3.93Å; A395-N425 HydrophobicContact CB-CB 4Å; A395-F428 HydrophobicContact CB-CD1 4.08Å; A395-F428 HydrophobicContact CB-CE1 4.2Å
396D93.9Very high95.5Very high78 Ų7839.6 Ų39.642%0.41720%0.203SC..Hα-helixtrans-61.3-38.9178.3-62.9-77.9000112.6F394 Y398 S399 N400 F428F394-D396 VanDerWaalsContact C-N 3.34Å; F394-D396 HydrophobicContact CD2-CB 4.21Å; F394-D396 HydrophobicContact CE2-CB 3.88Å; F394-D396 PolarHBondContact O-N 3.36Å; D396-Y398 PolarHBondContact O-N 2.83Å; D396-S399 PolarHBondContact O-N 3.02Å; D396-N400 WeakPolarHBondContact O-CB 3.19Å; D396-N400 VanDerWaalsContact O-CG 3.28Å; D396-N400 PolarHBondContact O-N 2.95Å; D396-N400 PolarHBondContact O-ND2 2.92Å; D396-F428 VanDerWaalsContact OD1-CZ 3.25Å; D396-F428 WeakPolarHBondContact OD1-CZ 3.39Å
397A95.5Very high95Very high0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-64-40.8177.600000111.5A387 I388 F394 A395 M401A387-A397 HydrophobicContact CB-CB 4.27Å; I388-A397 HydrophobicContact CD1-CB 4.46Å; I388-A397 HydrophobicContact CG1-CB 3.92Å; F394-A397 HydrophobicContact CB-CB 4.13Å; F394-A397 HydrophobicContact CD1-CB 3.77Å; F394-A397 HydrophobicContact CD2-CB 4.43Å; F394-A397 HydrophobicContact CE1-CB 4.31Å; F394-A397 HydrophobicContact CG-CB 3.84Å; F394-A397 WeakPolarHBondContact O-CB 3.1Å; F394-A397 PolarHBondContact O-N 3.22Å; F394-A397 VanDerWaalsContact O-N 3.13Å; A395-A397 VanDerWaalsContact C-N 3.32Å; A395-A397 PolarHBondContact O-N 3.13Å; A397-M401 WeakPolarHBondContact O-CB 3.38Å; A397-M401 PolarHBondContact O-N 3.45Å
398Y97.5Very high94.5Very high35 Ų3544.7 Ų44.714%0.13723%0.228CC..Hα-helixtrans-62.4-47172.5-79.3-81.9000111.9I388 P392 F394 A395 D396 N400 M401 G402 C417 R420 I424I388-Y398 HydrophobicContact CB-CE2 4.5Å; I388-Y398 HydrophobicContact CD1-CD1 3.83Å; I388-Y398 HydrophobicContact CD1-CD2 4.21Å; I388-Y398 HydrophobicContact CD1-CE1 3.96Å; I388-Y398 HydrophobicContact CD1-CE2 4.32Å; I388-Y398 HydrophobicContact CD1-CG 3.97Å; I388-Y398 HydrophobicContact CG1-CD2 4.12Å; I388-Y398 HydrophobicContact CG1-CE1 4.46Å; I388-Y398 HydrophobicContact CG1-CE2 4.01Å; I388-Y398 HydrophobicContact CG1-CG 4.39Å; I388-Y398 HydrophobicContact CG2-CE1 3.95Å; I388-Y398 HydrophobicContact CG2-CE2 3.77Å; I388-Y398 WeakPolarHBondContact CG2-OH 3.2Å; P392-Y398 WeakPolarHBondContact O-CE2 3.16Å; F394-Y398 WeakPolarHBondContact O-CD2 3.38Å; F394-Y398 PolarHBondContact O-N 3.28Å; A395-Y398 PolarHBondContact O-N 3.17Å; D396-Y398 PolarHBondContact O-N 2.83Å; Y398-N400 PolarHBondContact O-N 3.33Å; Y398-M401 PolarHBondContact O-N 3.35Å; Y398-G402 PolarHBondContact O-N 3.15Å; Y398-C417 WeakPolarHBondContact O-CB 3.44Å; Y398-R420 HydrophobicContact CD1-CB 3.9Å; Y398-R420 HydrophobicContact CD1-CG 3.81Å; Y398-R420 HydrophobicContact CD2-CG 4.3Å; Y398-R420 HydrophobicContact CE1-CB 4.01Å; Y398-R420 HydrophobicContact CE1-CG 3.49Å; Y398-R420 VanDerWaalsContact CE1-CG 3.49Å; Y398-R420 HydrophobicContact CE2-CG 4.04Å; Y398-R420 HydrophobicContact CG-CB 4.36Å; Y398-R420 HydrophobicContact CG-CG 4.19Å; Y398-I424 HydrophobicContact CD2-CD1 3.69Å; Y398-I424 HydrophobicContact CE2-CD1 3.57Å
399S96.3Very high93.9Very high3 Ų351.8 Ų51.82%0.02126%0.26CS..Hα-helixtrans-60.9-46.6-180-170.30000111.8A395 D396 G402 N403 Y418A395-S399 PolarHBondContact O-N 2.92Å; D396-S399 PolarHBondContact O-N 3.02Å; S399-G402 PolarHBondContact O-N 3.27Å; S399-N403 PolarHBondContact O-N 2.92Å; S399-Y418 WeakPolarHBondContact O-CE1 3.23Å
400N95.4Very high93.6Very high47 Ų4749.1 Ų49.125%0.25126%0.256SS..Hα-helixtrans-69.2-36.2179.9-67.5-23.4000112.7Y384 D396 Y398 G402 N403 T404Y384-N400 HydrophobicContact CD1-CB 4.44Å; Y384-N400 HydrophobicContact CE1-CB 3.57Å; Y384-N400 HydrophobicContact CE2-CB 4.34Å; Y384-N400 WeakPolarHBondContact OH-CB 3.39Å; D396-N400 WeakPolarHBondContact O-CB 3.19Å; D396-N400 VanDerWaalsContact O-CG 3.28Å; D396-N400 PolarHBondContact O-N 2.95Å; D396-N400 PolarHBondContact O-ND2 2.92Å; Y398-N400 PolarHBondContact O-N 3.33Å; N400-G402 VanDerWaalsContact C-N 3.32Å; N400-N403 WeakPolarHBondContact O-CB 3.28Å; N400-N403 PolarHBondContact O-N 3.21Å; N400-T404 PolarHBondContact O-N 3.03Å; N400-T404 VanDerWaalsContact O-N 3.08Å; N400-T404 PolarHBondContact O-OG1 3.34Å
401M97.1Very high93.3Very high20 Ų2050 Ų5010%0.09926%0.263CS..Hα-helixtrans-61.9-42.4170.2-169170.874.100111.1L381 Y384 K385 I388 A397 Y398 N403 T404 L405 C417L381-M401 HydrophobicContact CD2-CG 3.66Å; Y384-M401 HydrophobicContact CD2-CB 4.05Å; Y384-M401 HydrophobicContact CD2-CG 4.35Å; Y384-M401 HydrophobicContact CG-CB 3.96Å; Y384-M401 HydrophobicContact CG-CG 4.4Å; K385-M401 HydrophobicContact CG-SD 4.02Å; I388-M401 HydrophobicContact CD1-CE 3.62Å; I388-M401 HydrophobicContact CD1-SD 3.85Å; A397-M401 WeakPolarHBondContact O-CB 3.38Å; A397-M401 PolarHBondContact O-N 3.45Å; Y398-M401 PolarHBondContact O-N 3.35Å; M401-N403 VanDerWaalsContact C-N 3.31Å; M401-N403 PolarHBondContact O-N 3.1Å; M401-T404 WeakPolarHBondContact O-CB 3.32Å; M401-T404 PolarHBondContact O-N 3.18Å; M401-T404 VanDerWaalsContact O-N 3.13Å; M401-L405 HydrophobicContact CG-CD1 4.26Å; M401-L405 WeakPolarHBondContact O-CG 3.09Å; M401-L405 PolarHBondContact O-N 2.66Å; M401-C417 WeakPolarHBondContact CE-SG 3.32Å
402G96Very high93.2Very high0 Ų054.2 Ų54.20%028%0.278CS..Hα-helixtrans-58.4-41.6174.900000112.7Y398 S399 N400 T404 L405 K406 A414 Y418Y398-G402 PolarHBondContact O-N 3.15Å; S399-G402 PolarHBondContact O-N 3.27Å; N400-G402 VanDerWaalsContact C-N 3.32Å; G402-T404 VanDerWaalsContact C-N 3.34Å; G402-T404 PolarHBondContact O-N 3.25Å; G402-L405 PolarHBondContact O-N 2.78Å; G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 3.26Å; G402-A414 WeakPolarHBondContact O-CB 3.37Å; G402-Y418 VanDerWaalsContact C-OH 3.25Å; G402-Y418 PolarHBondContact O-OH 3.27Å
403N93.5Very high93.1Very high44 Ų4451.3 Ų51.324%0.23526%0.261CS..Hα-helixtrans-61.7-42.3174.5-65.4-22.1000112S399 N400 M401 K406 E407 Y418 N434S399-N403 PolarHBondContact O-N 2.92Å; N400-N403 WeakPolarHBondContact O-CB 3.28Å; N400-N403 PolarHBondContact O-N 3.21Å; M401-N403 VanDerWaalsContact C-N 3.31Å; M401-N403 PolarHBondContact O-N 3.1Å; N403-K406 PolarHBondContact O-N 3.46Å; N403-E407 PolarHBondContact O-N 3.46Å; N403-Y418 VanDerWaalsContact CA-OH 3.31Å; N403-Y418 WeakPolarHBondContact CA-OH 3.32Å; N403-Y418 PolarHBondContact N-OH 3.3Å; N403-Y418 WeakPolarHBondContact OD1-CE1 3.45Å; N403-Y418 PolarHBondContact OD1-OH 3.39Å; N403-N434 PolarHBondContact OD1-ND2 3.41Å
404T94.1Very high93.1Very high0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-64.5-43.5177.6-52.80000111.1Q372 L377 A380 L381 Y384 N400 M401 G402 E407 M408Q372-T404 HydrophobicContact CG-CG2 4.46Å; Q372-T404 PolarHBondContact NE2-OG1 3.32Å; Q372-T404 PolarHBondContact OE1-OG1 2.95Å; L377-T404 HydrophobicContact CB-CG2 4.07Å; L377-T404 HydrophobicContact CD2-CG2 4.16Å; A380-T404 HydrophobicContact CB-CG2 4.35Å; L381-T404 HydrophobicContact CD2-CG2 3.87Å; L381-T404 HydrophobicContact CG-CG2 3.9Å; Y384-T404 WeakPolarHBondContact CE2-OG1 3.3Å; N400-T404 PolarHBondContact O-N 3.03Å; N400-T404 VanDerWaalsContact O-N 3.08Å; N400-T404 PolarHBondContact O-OG1 3.34Å; M401-T404 WeakPolarHBondContact O-CB 3.32Å; M401-T404 PolarHBondContact O-N 3.18Å; M401-T404 VanDerWaalsContact O-N 3.13Å; G402-T404 VanDerWaalsContact C-N 3.34Å; G402-T404 PolarHBondContact O-N 3.25Å; T404-E407 WeakPolarHBondContact O-CB 3.43Å; T404-E407 PolarHBondContact O-N 3.2Å; T404-M408 HydrophobicContact CG2-SD 4.38Å; T404-M408 WeakPolarHBondContact O-CG 3.44Å; T404-M408 PolarHBondContact O-N 3.37Å
405L94.4Very high93.1Very high18 Ų1846.2 Ų46.29%0.09423%0.232CC..Hα-helixtrans-63.8-40.7176.5-69.6169.7000111.9L381 M401 G402 E407 M408 Q409 D410 A414 C417L381-L405 HydrophobicContact CD1-CD2 3.78Å; L381-L405 HydrophobicContact CD2-CD2 3.69Å; L381-L405 HydrophobicContact CD2-CG 3.8Å; L381-L405 HydrophobicContact CG-CD2 4.41Å; M401-L405 HydrophobicContact CG-CD1 4.26Å; M401-L405 WeakPolarHBondContact O-CG 3.09Å; M401-L405 PolarHBondContact O-N 2.66Å; G402-L405 PolarHBondContact O-N 2.78Å; L405-E407 VanDerWaalsContact C-N 3.33Å; L405-E407 PolarHBondContact O-N 3.14Å; L405-M408 CarbonylContact O-C 3.04Å; L405-M408 WeakPolarHBondContact O-CA 3.31Å; L405-M408 PolarHBondContact O-N 3.37Å; L405-M408 VanDerWaalsContact O-N 3.15Å; L405-Q409 PolarHBondContact O-N 2.99Å; L405-Q409 VanDerWaalsContact O-N 3.14Å; L405-D410 HydrophobicContact CB-CB 4.26Å; L405-D410 HydrophobicContact CD2-CB 4.18Å; L405-D410 PolarHBondContact O-N 3.25Å; L405-A414 HydrophobicContact CB-CB 4.13Å; L405-C417 VanDerWaalsContact CD1-SG 3.56Å
406K90Very high93.1Very high70 Ų7052.3 Ų52.330%0.30426%0.259SS..Hα-helixtrans-59.7-43.5174.5-176.6-174.7178.4-171.70111.5G402 N403 M408 Q409 A414 S437 I438G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 3.26Å; N403-K406 PolarHBondContact O-N 3.46Å; K406-M408 VanDerWaalsContact C-N 3.28Å; K406-M408 PolarHBondContact O-N 3.16Å; K406-Q409 WeakPolarHBondContact O-CA 3.47Å; K406-Q409 PolarHBondContact O-N 3.33Å; K406-A414 HydrophobicContact CB-CB 4.1Å; K406-S437 PolarHBondContact NZ-OG 3.05Å; K406-I438 HydrophobicContact CB-CD1 4.38Å; K406-I438 HydrophobicContact CD-CD1 3.78Å; K406-I438 HydrophobicContact CG-CD1 3.81Å
407E85.4Confident93.3Very high110 Ų11049 Ų4951%0.51424%0.242SC..Hα-helixtrans-63.4-34.9176.4-171.3173.6-179.400112.2L377 N403 T404 L405 Q409L377-E407 HydrophobicContact CD1-CB 4.38Å; L377-E407 HydrophobicContact CD1-CG 3.91Å; L377-E407 HydrophobicContact CD2-CG 4.45Å; L377-E407 WeakPolarHBondContact CD2-OE2 3.5Å; N403-E407 PolarHBondContact O-N 3.46Å; T404-E407 WeakPolarHBondContact O-CB 3.43Å; T404-E407 PolarHBondContact O-N 3.2Å; L405-E407 VanDerWaalsContact C-N 3.33Å; L405-E407 PolarHBondContact O-N 3.14Å; E407-Q409 PolarHBondContact O-N 3.4Å
408M86.7Confident93.4Very high61 Ų6149 Ų4930%0.324%0.242SC..THydrogen-bonded Turntrans-77.84.1172.1-65.9176.652.600114.2L377 L381 T404 L405 K406 D410L377-M408 HydrophobicContact CB-CG 3.84Å; L377-M408 HydrophobicContact CB-SD 3.65Å; L377-M408 HydrophobicContact CD1-CG 3.56Å; L377-M408 HydrophobicContact CG-CG 4.32Å; L381-M408 HydrophobicContact CD1-CE 3.75Å; L381-M408 HydrophobicContact CD1-SD 3.41Å; L381-M408 WeakPolarHBondContact CD1-SD 3.31Å; L381-M408 HydrophobicContact CG-SD 4.12Å; T404-M408 HydrophobicContact CG2-SD 4.38Å; T404-M408 WeakPolarHBondContact O-CG 3.44Å; T404-M408 PolarHBondContact O-N 3.37Å; L405-M408 CarbonylContact O-C 3.04Å; L405-M408 WeakPolarHBondContact O-CA 3.31Å; L405-M408 PolarHBondContact O-N 3.37Å; L405-M408 VanDerWaalsContact O-N 3.15Å; K406-M408 VanDerWaalsContact C-N 3.28Å; K406-M408 PolarHBondContact O-N 3.16Å; M408-D410 PolarHBondContact O-N 2.96Å
409Q84.3Confident93.3Very high168 Ų16849.8 Ų49.879%0.78525%0.251SS*.THydrogen-bonded Turntrans6315.7-175.5-52.6-175.3-9.100115.1L405 K406 E407 V411L405-Q409 PolarHBondContact O-N 2.99Å; L405-Q409 VanDerWaalsContact O-N 3.14Å; K406-Q409 WeakPolarHBondContact O-CA 3.47Å; K406-Q409 PolarHBondContact O-N 3.33Å; E407-Q409 PolarHBondContact O-N 3.4Å; Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-V411 PolarHBondContact O-N 3.36Å
410D90.9Very high93.4Very high71 Ų7154.6 Ų54.638%0.3827%0.268SS..  trans-82.278.8168.3-176.64.7000110.3L405 M408 Q412 G413 A414L405-D410 HydrophobicContact CB-CB 4.26Å; L405-D410 HydrophobicContact CD2-CB 4.18Å; L405-D410 PolarHBondContact O-N 3.25Å; M408-D410 PolarHBondContact O-N 2.96Å; D410-Q412 VanDerWaalsContact C-N 3.32Å; D410-Q412 PolarHBondContact O-N 2.87Å; D410-Q412 PolarHBondContact OD1-N 3.44Å; D410-G413 PolarHBondContact O-N 3.32Å; D410-G413 PolarHBondContact OD1-N 3.14Å; D410-A414 WeakPolarHBondContact O-CB 3.47Å; D410-A414 PolarHBondContact O-N 3.06Å
411V90.6Very high93.5Very high58 Ų5852.3 Ų52.335%0.35226%0.256SS..Hα-helixtrans-63.2-38.2-177.7179.10000111.9Q409 A414 L415 I438Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-V411 PolarHBondContact O-N 3.36Å; V411-A414 PolarHBondContact O-N 3.49Å; V411-L415 WeakPolarHBondContact O-CB 3.45Å; V411-L415 PolarHBondContact O-N 2.94Å; V411-I438 HydrophobicContact CG1-CD1 4.44Å; V411-I438 HydrophobicContact CG1-CG2 3.7Å
412Q93.3Very high93.5Very high125 Ų12552.6 Ų52.658%0.58426%0.258SS*.Hα-helixtrans-69.9-44.5-178.8-70.6-63.7-29.500111.1D410 A414 L415 Q416D410-Q412 VanDerWaalsContact C-N 3.32Å; D410-Q412 PolarHBondContact O-N 2.87Å; D410-Q412 PolarHBondContact OD1-N 3.44Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-A414 PolarHBondContact O-N 3.44Å; Q412-L415 PolarHBondContact O-N 3.08Å; Q412-Q416 WeakPolarHBondContact O-CG 3.36Å; Q412-Q416 PolarHBondContact O-N 3.23Å; Q412-Q416 VanDerWaalsContact O-N 3.16Å
413G94.2Very high93.6Very high10 Ų1058.2 Ų58.210%0.10328%0.284CS..Hα-helixtrans-59.9-43.8173.400000112D410 L415 Q416 C417D410-G413 PolarHBondContact O-N 3.32Å; D410-G413 PolarHBondContact OD1-N 3.14Å; G413-L415 PolarHBondContact O-N 3.19Å; G413-Q416 PolarHBondContact O-N 3.24Å; G413-C417 PolarHBondContact O-N 2.92Å; G413-C417 VanDerWaalsContact O-N 3.07Å; G413-C417 PolarHBondContact O-SG 3.47Å
414A96.1Very high93.7Very high0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-60.6-45.8176.800000112.5G402 L405 K406 D410 V411 Q412 Q416 C417 Y418 I438G402-A414 WeakPolarHBondContact O-CB 3.37Å; L405-A414 HydrophobicContact CB-CB 4.13Å; K406-A414 HydrophobicContact CB-CB 4.1Å; D410-A414 WeakPolarHBondContact O-CB 3.47Å; D410-A414 PolarHBondContact O-N 3.06Å; V411-A414 PolarHBondContact O-N 3.49Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-A414 PolarHBondContact O-N 3.44Å; A414-Q416 VanDerWaalsContact C-N 3.34Å; A414-Q416 PolarHBondContact O-N 3Å; A414-C417 WeakPolarHBondContact O-CB 3.41Å; A414-C417 PolarHBondContact O-N 3.02Å; A414-Y418 HydrophobicContact CB-CE2 3.95Å; A414-Y418 WeakPolarHBondContact O-CD2 3.28Å; A414-Y418 PolarHBondContact O-N 3.05Å; A414-I438 HydrophobicContact CB-CD1 4.3Å
415L94.9Very high93.8Very high45 Ų4561.6 Ų61.624%0.23630%0.302CS..Hα-helixtrans-56.9-46177.9-169.186.3000111.9V411 Q412 G413 C417 T419 L435 I438V411-L415 WeakPolarHBondContact O-CB 3.45Å; V411-L415 PolarHBondContact O-N 2.94Å; Q412-L415 PolarHBondContact O-N 3.08Å; G413-L415 PolarHBondContact O-N 3.19Å; L415-C417 VanDerWaalsContact C-N 3.35Å; L415-T419 WeakPolarHBondContact O-CB 3.19Å; L415-T419 PolarHBondContact O-N 3.22Å; L415-T419 PolarHBondContact O-OG1 3.11Å; L415-L435 HydrophobicContact CD1-CD1 3.48Å; L415-L435 VanDerWaalsContact CD1-CD1 3.48Å; L415-L435 HydrophobicContact CG-CD1 4.24Å; L415-I438 HydrophobicContact CB-CG2 4.5Å; L415-I438 HydrophobicContact CD1-CB 4.45Å; L415-I438 HydrophobicContact CD1-CG2 3.72Å
416Q95.8Very high93.9Very high135 Ų13564.9 Ų64.963%0.63132%0.324SS*.Hα-helixtrans-62.7-43.1178.3-69.7175.96.600111.4Q412 G413 A414 T419 R420Q412-Q416 WeakPolarHBondContact O-CG 3.36Å; Q412-Q416 PolarHBondContact O-N 3.23Å; Q412-Q416 VanDerWaalsContact O-N 3.16Å; G413-Q416 PolarHBondContact O-N 3.24Å; A414-Q416 VanDerWaalsContact C-N 3.34Å; A414-Q416 PolarHBondContact O-N 3Å; Q416-T419 PolarHBondContact O-N 2.68Å; Q416-R420 WeakPolarHBondContact O-CB 3.28Å; Q416-R420 PolarHBondContact O-N 3.23Å
417C97.1Very high94.2Very high9 Ų964.4 Ų64.46%0.06133%0.334CS..Hα-helixtrans-62.3-49.8179.1-68.60000112.3Y398 M401 L405 G413 A414 L415 T419 R420 A421Y398-C417 WeakPolarHBondContact O-CB 3.44Å; M401-C417 WeakPolarHBondContact CE-SG 3.32Å; L405-C417 VanDerWaalsContact CD1-SG 3.56Å; G413-C417 PolarHBondContact O-N 2.92Å; G413-C417 VanDerWaalsContact O-N 3.07Å; G413-C417 PolarHBondContact O-SG 3.47Å; A414-C417 WeakPolarHBondContact O-CB 3.41Å; A414-C417 PolarHBondContact O-N 3.02Å; L415-C417 VanDerWaalsContact C-N 3.35Å; C417-T419 PolarHBondContact O-N 2.69Å; C417-R420 PolarHBondContact O-N 2.93Å; C417-A421 PolarHBondContact O-N 2.79Å
418Y97.4Very high94.7Very high0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-64.4-41.5178.6-58.7-46.6000112S399 G402 N403 A414 R420 A421 I422 N434 I438S399-Y418 WeakPolarHBondContact O-CE1 3.23Å; G402-Y418 VanDerWaalsContact C-OH 3.25Å; G402-Y418 PolarHBondContact O-OH 3.27Å; N403-Y418 VanDerWaalsContact CA-OH 3.31Å; N403-Y418 WeakPolarHBondContact CA-OH 3.32Å; N403-Y418 PolarHBondContact N-OH 3.3Å; N403-Y418 WeakPolarHBondContact OD1-CE1 3.45Å; N403-Y418 PolarHBondContact OD1-OH 3.39Å; A414-Y418 HydrophobicContact CB-CE2 3.95Å; A414-Y418 WeakPolarHBondContact O-CD2 3.28Å; A414-Y418 PolarHBondContact O-N 3.05Å; Y418-R420 VanDerWaalsContact C-N 3.28Å; Y418-R420 PolarHBondContact O-N 3.14Å; Y418-A421 PolarHBondContact O-N 3.5Å; Y418-I422 WeakPolarHBondContact O-CG1 3.21Å; Y418-I422 PolarHBondContact O-N 2.98Å; Y418-N434 HydrophobicContact CD1-CB 3.85Å; Y418-N434 HydrophobicContact CD2-CB 4.23Å; Y418-N434 HydrophobicContact CE1-CB 3.5Å; Y418-N434 HydrophobicContact CE2-CB 3.93Å; Y418-N434 HydrophobicContact CG-CB 4.2Å; Y418-I438 HydrophobicContact CD2-CG1 4.14Å; Y418-I438 HydrophobicContact CE2-CD1 4.42Å; Y418-I438 HydrophobicContact CE2-CG1 3.78Å
419T96.6Very high95.1Very high52 Ų5257.8 Ų57.832%0.31930%0.303SS..Hα-helixtrans-58.7-43.3175.8-57.60000110.8L415 Q416 C417 I422 Q423L415-T419 WeakPolarHBondContact O-CB 3.19Å; L415-T419 PolarHBondContact O-N 3.22Å; L415-T419 PolarHBondContact O-OG1 3.11Å; Q416-T419 PolarHBondContact O-N 2.68Å; C417-T419 PolarHBondContact O-N 2.69Å; T419-I422 PolarHBondContact O-N 3.43Å; T419-Q423 WeakPolarHBondContact O-CG 3.46Å; T419-Q423 PolarHBondContact O-N 3.26Å
420R97.2Very high95.7Very high103 Ų10352.7 Ų52.739%0.38928%0.281SS..Hα-helixtrans-68.2-40.3178.5-171.955.6177.7172.33.6112.5Y398 Q416 C417 Y418 I422 Q423 I424Y398-R420 HydrophobicContact CD1-CB 3.9Å; Y398-R420 HydrophobicContact CD1-CG 3.81Å; Y398-R420 HydrophobicContact CD2-CG 4.3Å; Y398-R420 HydrophobicContact CE1-CB 4.01Å; Y398-R420 HydrophobicContact CE1-CG 3.49Å; Y398-R420 VanDerWaalsContact CE1-CG 3.49Å; Y398-R420 HydrophobicContact CE2-CG 4.04Å; Y398-R420 HydrophobicContact CG-CB 4.36Å; Y398-R420 HydrophobicContact CG-CG 4.19Å; Q416-R420 WeakPolarHBondContact O-CB 3.28Å; Q416-R420 PolarHBondContact O-N 3.23Å; C417-R420 PolarHBondContact O-N 2.93Å; Y418-R420 VanDerWaalsContact C-N 3.28Å; Y418-R420 PolarHBondContact O-N 3.14Å; R420-I422 VanDerWaalsContact C-N 3.29Å; R420-I422 PolarHBondContact O-N 3.48Å; R420-Q423 PolarHBondContact O-N 2.96Å; R420-I424 HydrophobicContact CG-CD1 4.02Å; R420-I424 VanDerWaalsContact O-CG1 3.31Å; R420-I424 WeakPolarHBondContact O-CG1 3.37Å; R420-I424 PolarHBondContact O-N 3.29Å
421A97.7Very high95.9Very high0 Ų049.3 Ų49.30%026%0.263CS..Hα-helixtrans-57.7-42.4173.900000111.7C417 Y418 I424 N425 F428 A431C417-A421 PolarHBondContact O-N 2.79Å; Y418-A421 PolarHBondContact O-N 3.5Å; A421-I424 PolarHBondContact O-N 3.47Å; A421-N425 PolarHBondContact O-N 3.35Å; A421-F428 HydrophobicContact CB-CD1 4.26Å; A421-A431 HydrophobicContact CB-CB 4.1Å
422I97.4Very high96.3Very high25 Ų2547.5 Ų47.513%0.12825%0.25CS..Hα-helixtrans-69.2-38.1177-66.5162.2000111.8Y418 T419 R420 I424 N425 P426 A431 L435Y418-I422 WeakPolarHBondContact O-CG1 3.21Å; Y418-I422 PolarHBondContact O-N 2.98Å; T419-I422 PolarHBondContact O-N 3.43Å; R420-I422 VanDerWaalsContact C-N 3.29Å; R420-I422 PolarHBondContact O-N 3.48Å; I422-I424 VanDerWaalsContact C-N 3.28Å; I422-I424 PolarHBondContact O-N 2.98Å; I422-N425 CarbonylContact O-C 3.54Å; I422-P426 WeakPolarHBondContact O-CA 3.4Å; I422-P426 WeakPolarHBondContact O-CD 3.4Å; I422-A431 HydrophobicContact CD1-CB 4.38Å; I422-A431 HydrophobicContact CG1-CB 3.8Å; I422-L435 HydrophobicContact CD1-CB 4.28Å; I422-L435 HydrophobicContact CD1-CD2 3.63Å
423Q97.3Very high96.5Very high119 Ų11941.9 Ų41.956%0.55623%0.225SC*.Hα-helixtrans-62.1-37.7175.2-75.5174-2.800112.3T419 R420T419-Q423 WeakPolarHBondContact O-CG 3.46Å; T419-Q423 PolarHBondContact O-N 3.26Å; R420-Q423 PolarHBondContact O-N 2.96Å
424I96.6Very high96.5Very high47 Ų4743.1 Ų43.124%0.24123%0.229CC..Hα-helixtrans-75.3-46.9178.6-66.1164000110.5P392 T393 A395 Y398 R420 A421 I422P392-I424 WeakPolarHBondContact O-CD1 3.49Å; T393-I424 WeakPolarHBondContact O-CG2 3.5Å; A395-I424 HydrophobicContact CB-CB 4.26Å; A395-I424 HydrophobicContact CB-CG2 3.93Å; Y398-I424 HydrophobicContact CD2-CD1 3.69Å; Y398-I424 HydrophobicContact CE2-CD1 3.57Å; R420-I424 HydrophobicContact CG-CD1 4.02Å; R420-I424 VanDerWaalsContact O-CG1 3.31Å; R420-I424 WeakPolarHBondContact O-CG1 3.37Å; R420-I424 PolarHBondContact O-N 3.29Å; A421-I424 PolarHBondContact O-N 3.47Å; I422-I424 VanDerWaalsContact C-N 3.28Å; I422-I424 PolarHBondContact O-N 2.98Å
425N96.2Very high96.6Very high67 Ų6744 Ų4436%0.35823%0.234SC..  trans-127.592.7177.4-1795.1000110.6A395 A421 I422 A427 F428A395-N425 HydrophobicContact CB-CB 4Å; A421-N425 PolarHBondContact O-N 3.35Å; I422-N425 CarbonylContact O-C 3.54Å; N425-A427 PolarHBondContact O-N 3.4Å; N425-A427 VanDerWaalsContact O-N 3.12Å; N425-A427 PolarHBondContact OD1-N 2.9Å; N425-A427 VanDerWaalsContact OD1-N 3.14Å; N425-F428 HydrophobicContact CB-CB 4.14Å; N425-F428 VanDerWaalsContact O-CB 3.23Å; N425-F428 WeakPolarHBondContact O-CB 3.44Å; N425-F428 PolarHBondContact O-N 3.49Å; N425-F428 VanDerWaalsContact O-N 3.07Å
426P96.6Very high96.7Very high88 Ų8841.8 Ų41.857%0.57122%0.223SC*.THydrogen-bonded Turntrans-61.3-22.2179.9-27.336.2000114.5I422 F428 H432I422-P426 WeakPolarHBondContact O-CA 3.4Å; I422-P426 WeakPolarHBondContact O-CD 3.4Å; P426-F428 VanDerWaalsContact C-N 3.3Å; P426-H432 PolarHBondContact O-NE2 3.42Å
427A95.6Very high96.6Very high60 Ų6036.1 Ų36.150%0.49620%0.197SC..THydrogen-bonded Turntrans-86.86.7178.900000113.6N425 A429 L458N425-A427 PolarHBondContact O-N 3.4Å; N425-A427 VanDerWaalsContact O-N 3.12Å; N425-A427 PolarHBondContact OD1-N 2.9Å; N425-A427 VanDerWaalsContact OD1-N 3.14Å; A427-A429 PolarHBondContact O-N 3.03Å; A427-L458 HydrophobicContact CB-CD2 4.21Å
428F95.7Very high96.4Very high23 Ų2335.9 Ų35.910%0.10120%0.196CC..  trans-77.686.2-176.5-161.5175.7000112.6A395 D396 A421 N425 P426 D430 A431 H432A395-F428 HydrophobicContact CB-CD1 4.08Å; A395-F428 HydrophobicContact CB-CE1 4.2Å; D396-F428 VanDerWaalsContact OD1-CZ 3.25Å; D396-F428 WeakPolarHBondContact OD1-CZ 3.39Å; A421-F428 HydrophobicContact CB-CD1 4.26Å; N425-F428 HydrophobicContact CB-CB 4.14Å; N425-F428 VanDerWaalsContact O-CB 3.23Å; N425-F428 WeakPolarHBondContact O-CB 3.44Å; N425-F428 PolarHBondContact O-N 3.49Å; N425-F428 VanDerWaalsContact O-N 3.07Å; P426-F428 VanDerWaalsContact C-N 3.3Å; F428-D430 VanDerWaalsContact C-N 3.35Å; F428-D430 HydrophobicContact CD2-CB 4.26Å; F428-D430 HydrophobicContact CE2-CB 3.93Å; F428-D430 PolarHBondContact O-N 3.25Å; F428-A431 HydrophobicContact CB-CB 4.09Å; F428-A431 HydrophobicContact CD1-CB 3.78Å; F428-A431 HydrophobicContact CD2-CB 4.43Å; F428-A431 HydrophobicContact CE1-CB 4.37Å; F428-A431 HydrophobicContact CG-CB 3.82Å; F428-A431 PolarHBondContact O-N 3.49Å; F428-A431 VanDerWaalsContact O-N 3.16Å; F428-H432 PolarHBondContact O-CD2 3.39Å; F428-H432 VanDerWaalsContact O-CD2 3.3Å; F428-H432 PolarHBondContact O-N 3.38Å
429A96.7Very high96.3Very high8 Ų837.6 Ų37.67%0.06620%0.204CC..Hα-helixtrans-55.1-42.6-174.900000114.1A427 A431 H432 S433 L458 K459 F462A427-A429 PolarHBondContact O-N 3.03Å; A429-A431 PolarHBondContact O-N 3.42Å; A429-H432 PolarHBondContact O-N 3.05Å; A429-S433 PolarHBondContact O-N 3.17Å; A429-L458 HydrophobicContact CB-CB 3.95Å; A429-K459 HydrophobicContact CB-CB 3.74Å; A429-K459 HydrophobicContact CB-CD 4.45Å; A429-F462 HydrophobicContact CB-CE1 4.43Å
430D95.4Very high96.1Very high62 Ų6236.7 Ų36.733%0.33220%0.195SC..Hα-helixtrans-63.8-38.8179.5-61.3-80.9000112.1F428 H432 S433 N434 F462F428-D430 VanDerWaalsContact C-N 3.35Å; F428-D430 HydrophobicContact CD2-CB 4.26Å; F428-D430 HydrophobicContact CE2-CB 3.93Å; F428-D430 PolarHBondContact O-N 3.25Å; D430-H432 PolarHBondContact O-N 3.28Å; D430-S433 PolarHBondContact O-N 3.06Å; D430-N434 WeakPolarHBondContact O-CB 3.4Å; D430-N434 PolarHBondContact O-N 2.93Å; D430-N434 PolarHBondContact O-ND2 3.33Å; D430-F462 VanDerWaalsContact OD1-CZ 3.28Å; D430-F462 WeakPolarHBondContact OD1-CZ 3.42Å
431A96.2Very high95.7Very high0 Ų036.3 Ų36.30%020%0.201CC..Hα-helixtrans-65-39.1175.700000112.1A421 I422 F428 A429 N434 L435A421-A431 HydrophobicContact CB-CB 4.1Å; I422-A431 HydrophobicContact CD1-CB 4.38Å; I422-A431 HydrophobicContact CG1-CB 3.8Å; F428-A431 HydrophobicContact CB-CB 4.09Å; F428-A431 HydrophobicContact CD1-CB 3.78Å; F428-A431 HydrophobicContact CD2-CB 4.43Å; F428-A431 HydrophobicContact CE1-CB 4.37Å; F428-A431 HydrophobicContact CG-CB 3.82Å; F428-A431 PolarHBondContact O-N 3.49Å; F428-A431 VanDerWaalsContact O-N 3.16Å; A429-A431 PolarHBondContact O-N 3.42Å; A431-N434 PolarHBondContact O-N 2.99Å; A431-L435 VanDerWaalsContact O-CB 3.31Å; A431-L435 WeakPolarHBondContact O-CB 3.35Å; A431-L435 PolarHBondContact O-N 3.18Å
432H98Very high95.2Very high19 Ų1939.3 Ų39.39%0.08822%0.222CC..Hα-helixtrans-62.9-42.3172.6-76.7-79.2000112.1P426 F428 A429 D430 A436 A455P426-H432 PolarHBondContact O-NE2 3.42Å; F428-H432 PolarHBondContact O-CD2 3.39Å; F428-H432 VanDerWaalsContact O-CD2 3.3Å; F428-H432 PolarHBondContact O-N 3.38Å; A429-H432 PolarHBondContact O-N 3.05Å; D430-H432 PolarHBondContact O-N 3.28Å; H432-A436 WeakPolarHBondContact O-CB 3.19Å; H432-A436 PolarHBondContact O-N 2.94Å; H432-A455 HydrophobicContact CB-CB 3.88Å
433S97.5Very high94.8Very high7 Ų740.4 Ų40.45%0.04924%0.24CC..Hα-helixtrans-65.3-41.6177.4-172.30000112.1A429 D430 A436 S437A429-S433 PolarHBondContact O-N 3.17Å; D430-S433 PolarHBondContact O-N 3.06Å; S433-A436 WeakPolarHBondContact O-CB 3.45Å; S433-A436 PolarHBondContact O-N 3.21Å; S433-S437 PolarHBondContact O-N 3.38Å
434N95.5Very high94.7Very high37 Ų3738.4 Ų38.420%0.19823%0.233CC..Hα-helixtrans-67.1-42.4177.4-69.7-22.7000111.9N403 Y418 D430 A431 A436 S437 I438N403-N434 PolarHBondContact OD1-ND2 3.41Å; Y418-N434 HydrophobicContact CD1-CB 3.85Å; Y418-N434 HydrophobicContact CD2-CB 4.23Å; Y418-N434 HydrophobicContact CE1-CB 3.5Å; Y418-N434 HydrophobicContact CE2-CB 3.93Å; Y418-N434 HydrophobicContact CG-CB 4.2Å; D430-N434 WeakPolarHBondContact O-CB 3.4Å; D430-N434 PolarHBondContact O-N 2.93Å; D430-N434 PolarHBondContact O-ND2 3.33Å; A431-N434 PolarHBondContact O-N 2.99Å; N434-A436 VanDerWaalsContact C-N 3.33Å; N434-A436 PolarHBondContact O-N 2.84Å; N434-S437 WeakPolarHBondContact O-CB 3.39Å; N434-S437 PolarHBondContact O-N 2.66Å; N434-I438 PolarHBondContact O-N 3.17Å
435L96.3Very high94.7Very high17 Ų1736.7 Ų36.79%0.08922%0.224CC..Hα-helixtrans-59.7-43.9172.6-178.862000111.3L415 I422 A431 S437 I438 H439L415-L435 HydrophobicContact CD1-CD1 3.48Å; L415-L435 VanDerWaalsContact CD1-CD1 3.48Å; L415-L435 HydrophobicContact CG-CD1 4.24Å; I422-L435 HydrophobicContact CD1-CB 4.28Å; I422-L435 HydrophobicContact CD1-CD2 3.63Å; A431-L435 VanDerWaalsContact O-CB 3.31Å; A431-L435 WeakPolarHBondContact O-CB 3.35Å; A431-L435 PolarHBondContact O-N 3.18Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.29Å; L435-I438 PolarHBondContact O-N 3.2Å; L435-I438 VanDerWaalsContact O-N 3.14Å; L435-H439 PolarHBondContact O-CD2 3.49Å; L435-H439 VanDerWaalsContact O-CD2 3.29Å; L435-H439 PolarHBondContact O-N 3.28Å
436A97Very high94.7Very high0 Ų036.4 Ų36.40%023%0.226CC..Hα-helixtrans-60.1-39.4176.600000112.4H432 S433 N434 I438 H439 K440 A448 Y452H432-A436 WeakPolarHBondContact O-CB 3.19Å; H432-A436 PolarHBondContact O-N 2.94Å; S433-A436 WeakPolarHBondContact O-CB 3.45Å; S433-A436 PolarHBondContact O-N 3.21Å; N434-A436 VanDerWaalsContact C-N 3.33Å; N434-A436 PolarHBondContact O-N 2.84Å; A436-I438 VanDerWaalsContact C-N 3.34Å; A436-I438 PolarHBondContact O-N 3.2Å; A436-H439 PolarHBondContact O-N 3.18Å; A436-K440 WeakPolarHBondContact O-CB 3.19Å; A436-K440 PolarHBondContact O-N 2.57Å; A436-A448 WeakPolarHBondContact O-CB 3.39Å; A436-Y452 HydrophobicContact CB-CD1 3.53Å; A436-Y452 HydrophobicContact CB-CD2 3.59Å; A436-Y452 HydrophobicContact CB-CE1 3.49Å; A436-Y452 VanDerWaalsContact CB-CE1 3.49Å; A436-Y452 HydrophobicContact CB-CE2 3.55Å; A436-Y452 HydrophobicContact CB-CG 3.55Å; A436-Y452 VanDerWaalsContact CB-CZ 3.48Å
437S94.2Very high94.7Very high15 Ų1536.5 Ų36.511%0.10522%0.218CC..Hα-helixtrans-61.4-41.7174.8-1770000111.8K406 S433 N434 L435 K440 D441 Y452K406-S437 PolarHBondContact NZ-OG 3.05Å; S433-S437 PolarHBondContact O-N 3.38Å; N434-S437 WeakPolarHBondContact O-CB 3.39Å; N434-S437 PolarHBondContact O-N 2.66Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.29Å; S437-K440 PolarHBondContact O-N 3.13Å; S437-D441 WeakPolarHBondContact O-CB 3.5Å; S437-D441 PolarHBondContact O-N 3.1Å; S437-D441 PolarHBondContact OG-OD2 3.29Å; S437-Y452 VanDerWaalsContact CA-OH 3.3Å; S437-Y452 WeakPolarHBondContact CA-OH 3.33Å; S437-Y452 PolarHBondContact N-OH 2.86Å
438I93.2Very high94.8Very high5 Ų533.6 Ų33.63%0.02620%0.195CC..Hα-helixtrans-64.1-44.7177.1-65-61.7000110.9K406 V411 A414 L415 Y418 N434 L435 A436 K440 D441 S442K406-I438 HydrophobicContact CB-CD1 4.38Å; K406-I438 HydrophobicContact CD-CD1 3.78Å; K406-I438 HydrophobicContact CG-CD1 3.81Å; V411-I438 HydrophobicContact CG1-CD1 4.44Å; V411-I438 HydrophobicContact CG1-CG2 3.7Å; A414-I438 HydrophobicContact CB-CD1 4.3Å; L415-I438 HydrophobicContact CB-CG2 4.5Å; L415-I438 HydrophobicContact CD1-CB 4.45Å; L415-I438 HydrophobicContact CD1-CG2 3.72Å; Y418-I438 HydrophobicContact CD2-CG1 4.14Å; Y418-I438 HydrophobicContact CE2-CD1 4.42Å; Y418-I438 HydrophobicContact CE2-CG1 3.78Å; N434-I438 PolarHBondContact O-N 3.17Å; L435-I438 PolarHBondContact O-N 3.2Å; L435-I438 VanDerWaalsContact O-N 3.14Å; A436-I438 VanDerWaalsContact C-N 3.34Å; A436-I438 PolarHBondContact O-N 3.2Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.24Å; I438-D441 PolarHBondContact O-N 2.85Å; I438-S442 VanDerWaalsContact O-CB 3.3Å; I438-S442 WeakPolarHBondContact O-CB 3.2Å; I438-S442 PolarHBondContact O-N 3.39Å; I438-S442 PolarHBondContact O-OG 2.95Å
439H94.5Very high94.9Very high36 Ų3633.3 Ų33.317%0.16719%0.194CC..Hα-helixtrans-60.1-44.2175.9-78.3-64.5000111.8L435 A436 S442 G443 N444 E447 A448L435-H439 PolarHBondContact O-CD2 3.49Å; L435-H439 VanDerWaalsContact O-CD2 3.29Å; L435-H439 PolarHBondContact O-N 3.28Å; A436-H439 PolarHBondContact O-N 3.18Å; H439-S442 CarbonylContact O-C 3.21Å; H439-S442 PolarHBondContact O-N 3.04Å; H439-G443 PolarHBondContact O-N 3.41Å; H439-G443 VanDerWaalsContact O-N 3.16Å; H439-N444 HydrophobicContact CB-CB 4.12Å; H439-N444 WeakPolarHBondContact O-CA 3.13Å; H439-N444 PolarHBondContact O-N 2.8Å; H439-E447 HydrophobicContact CB-CB 4.2Å; H439-A448 HydrophobicContact CB-CB 3.84Å
440K93.8Very high95Very high32 Ų3235.5 Ų35.514%0.13921%0.212CC..Hα-helixtrans-58-52.3176-177.6-167.772.2177.60111.2A436 S437 I438 S442 G443 I445 A448 N468A436-K440 WeakPolarHBondContact O-CB 3.19Å; A436-K440 PolarHBondContact O-N 2.57Å; S437-K440 PolarHBondContact O-N 3.13Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.24Å; K440-S442 PolarHBondContact O-N 3.08Å; K440-G443 PolarHBondContact O-N 2.94Å; K440-I445 HydrophobicContact CG-CD1 4.42Å; K440-A448 HydrophobicContact CB-CB 4Å; K440-N468 PolarHBondContact NZ-OD1 3.22Å
441D87.5Confident95.1Very high95 Ų9533.4 Ų33.451%0.50820%0.202SC..Hα-helixtrans-68.2-22.3-176.3-60.7-20.4000112.1S437 I438S437-D441 WeakPolarHBondContact O-CB 3.5Å; S437-D441 PolarHBondContact O-N 3.1Å; S437-D441 PolarHBondContact OG-OD2 3.29Å; I438-D441 PolarHBondContact O-N 2.85Å
442S88.9Confident95.2Very high63 Ų6333.4 Ų33.444%0.44120%0.202SC..THydrogen-bonded Turntrans-88-3173.7-530000113.9I438 H439 K440I438-S442 VanDerWaalsContact O-CB 3.3Å; I438-S442 WeakPolarHBondContact O-CB 3.2Å; I438-S442 PolarHBondContact O-N 3.39Å; I438-S442 PolarHBondContact O-OG 2.95Å; H439-S442 CarbonylContact O-C 3.21Å; H439-S442 PolarHBondContact O-N 3.04Å; K440-S442 PolarHBondContact O-N 3.08Å
443G89.2Confident95.2Very high49 Ų4938.4 Ų38.451%0.50522%0.221SC..THydrogen-bonded Turntrans83.32.6-178.400000115.7H439 K440 I445H439-G443 PolarHBondContact O-N 3.41Å; H439-G443 VanDerWaalsContact O-N 3.16Å; K440-G443 PolarHBondContact O-N 2.94Å; G443-I445 PolarHBondContact O-N 3.27Å
444N94.4Very high95.3Very high77 Ų7740.9 Ų40.941%0.41224%0.235SC..  trans-82.164.8176.2-63.2-38.5000110.1H439 E447 A448H439-N444 HydrophobicContact CB-CB 4.12Å; H439-N444 WeakPolarHBondContact O-CA 3.13Å; H439-N444 PolarHBondContact O-N 2.8Å; N444-E447 HydrophobicContact CB-CB 4.37Å; N444-E447 WeakPolarHBondContact CB-OE2 3.32Å; N444-E447 PolarHBondContact O-N 3.16Å; N444-A448 PolarHBondContact O-N 3.28Å
445I96.2Very high95.4Very high11 Ų1139.1 Ų39.16%0.05623%0.226CC..Hα-helixtrans-63.9-40.9-170.2-48.8-57.2000113.5K440 G443 E447 A448 I449 C472 I475 V476K440-I445 HydrophobicContact CG-CD1 4.42Å; G443-I445 PolarHBondContact O-N 3.27Å; I445-E447 PolarHBondContact O-N 3.41Å; I445-A448 WeakPolarHBondContact O-CB 3.08Å; I445-A448 PolarHBondContact O-N 3.21Å; I445-I449 HydrophobicContact CG2-CD1 4.01Å; I445-I449 HydrophobicContact CG2-CG1 4.37Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 3.28Å; I445-C472 HydrophobicContact CG2-CB 3.99Å; I445-I475 HydrophobicContact CD1-CD1 4.34Å; I445-I475 HydrophobicContact CD1-CG2 4.44Å; I445-I475 HydrophobicContact CG1-CG2 4.06Å; I445-I475 HydrophobicContact CG2-CG2 4.31Å; I445-V476 HydrophobicContact CB-CG1 4.1Å; I445-V476 HydrophobicContact CG2-CG1 3.48Å; I445-V476 VanDerWaalsContact CG2-CG1 3.48Å
446P97Very high95.5Very high60 Ų6039.5 Ų39.539%0.3923%0.228SC..Hα-helixtrans-59.2-43.4176.7-25.135.8000113.3I449 A450 V881P446-I449 PolarHBondContact O-N 3.31Å; P446-A450 PolarHBondContact O-N 3Å; P446-V881 HydrophobicContact CG-CB 4.38Å; P446-V881 HydrophobicContact CG-CG1 3.84Å; P446-V881 HydrophobicContact CG-CG2 4.42Å
447E96.3Very high95.5Very high90 Ų9048.1 Ų48.142%0.42127%0.265SS..Hα-helixtrans-63.8-43.2176.5-66.573.5-166.400110.5H439 N444 I445 I449 A450 S451H439-E447 HydrophobicContact CB-CB 4.2Å; N444-E447 HydrophobicContact CB-CB 4.37Å; N444-E447 WeakPolarHBondContact CB-OE2 3.32Å; N444-E447 PolarHBondContact O-N 3.16Å; I445-E447 PolarHBondContact O-N 3.41Å; E447-I449 VanDerWaalsContact C-N 3.34Å; E447-I449 PolarHBondContact O-N 3.12Å; E447-A450 PolarHBondContact O-N 3.44Å; E447-S451 PolarHBondContact O-N 3.17Å; E447-S451 PolarHBondContact O-OG 3.23Å
448A97.8Very high95.6Very high0 Ų050.8 Ų50.80%028%0.278CS..Hα-helixtrans-58.6-44.6174.700000112.1A436 H439 K440 N444 I445 A450 S451 Y452A436-A448 WeakPolarHBondContact O-CB 3.39Å; H439-A448 HydrophobicContact CB-CB 3.84Å; K440-A448 HydrophobicContact CB-CB 4Å; N444-A448 PolarHBondContact O-N 3.28Å; I445-A448 WeakPolarHBondContact O-CB 3.08Å; I445-A448 PolarHBondContact O-N 3.21Å; A448-A450 PolarHBondContact O-N 2.88Å; A448-S451 PolarHBondContact O-N 3.07Å; A448-Y452 HydrophobicContact CB-CE2 4.43Å; A448-Y452 WeakPolarHBondContact O-CB 3.44Å; A448-Y452 WeakPolarHBondContact O-CD2 3.21Å; A448-Y452 PolarHBondContact O-N 2.77Å
449I98.3Very high95.8Very high16 Ų1654.6 Ų54.68%0.08230%0.295CS..Hα-helixtrans-60.5-45.8177.2-70.8166.7000110.7I445 P446 E447 Y452 R453 L469 C472 L473 V476I445-I449 HydrophobicContact CG2-CD1 4.01Å; I445-I449 HydrophobicContact CG2-CG1 4.37Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 3.28Å; P446-I449 PolarHBondContact O-N 3.31Å; E447-I449 VanDerWaalsContact C-N 3.34Å; E447-I449 PolarHBondContact O-N 3.12Å; I449-Y452 PolarHBondContact O-N 2.97Å; I449-R453 HydrophobicContact CG2-CG 4.49Å; I449-R453 WeakPolarHBondContact O-CB 3.37Å; I449-R453 WeakPolarHBondContact O-CG 3.44Å; I449-R453 PolarHBondContact O-N 2.8Å; I449-L469 HydrophobicContact CB-CD1 4.29Å; I449-L469 HydrophobicContact CG1-CD1 4.21Å; I449-L469 HydrophobicContact CG2-CD1 3.96Å; I449-C472 HydrophobicContact CD1-CB 4.21Å; I449-C472 HydrophobicContact CG1-CB 3.61Å; I449-L473 HydrophobicContact CD1-CD2 4.13Å; I449-L473 HydrophobicContact CG1-CD2 4.44Å; I449-L473 HydrophobicContact CG2-CD2 4.31Å; I449-V476 HydrophobicContact CD1-CG1 4.25Å; I449-V476 HydrophobicContact CD1-CG2 3.84Å
450A97.9Very high95.9Very high55 Ų5557.5 Ų57.546%0.45532%0.317SS..Hα-helixtrans-62.3-44.7179.100000112.2P446 E447 A448 R453 T454P446-A450 PolarHBondContact O-N 3Å; E447-A450 PolarHBondContact O-N 3.44Å; A448-A450 PolarHBondContact O-N 2.88Å; A450-R453 PolarHBondContact O-N 3Å; A450-T454 PolarHBondContact O-N 3.4Å; A450-T454 PolarHBondContact O-OG1 3.46Å
451S97.7Very high96Very high17 Ų1762.2 Ų62.212%0.11934%0.343CS..Hα-helixtrans-66.9-42.5178.1-66.50000112.3E447 A448 T454 A455E447-S451 PolarHBondContact O-N 3.17Å; E447-S451 PolarHBondContact O-OG 3.23Å; A448-S451 PolarHBondContact O-N 3.07Å; S451-T454 WeakPolarHBondContact O-CB 3.4Å; S451-T454 PolarHBondContact O-N 3.27Å; S451-A455 PolarHBondContact O-N 3.33Å
452Y98.5Very high96.4Very high1 Ų158.4 Ų58.40%0.00432%0.322CS..Hα-helixtrans-64.4-40.7174.7-77.3-53.2000112.8A436 S437 A448 I449 T454 A455 L456 A465 N468 L469A436-Y452 HydrophobicContact CB-CD1 3.53Å; A436-Y452 HydrophobicContact CB-CD2 3.59Å; A436-Y452 HydrophobicContact CB-CE1 3.49Å; A436-Y452 VanDerWaalsContact CB-CE1 3.49Å; A436-Y452 HydrophobicContact CB-CE2 3.55Å; A436-Y452 HydrophobicContact CB-CG 3.55Å; A436-Y452 VanDerWaalsContact CB-CZ 3.48Å; S437-Y452 VanDerWaalsContact CA-OH 3.3Å; S437-Y452 WeakPolarHBondContact CA-OH 3.33Å; S437-Y452 PolarHBondContact N-OH 2.86Å; A448-Y452 HydrophobicContact CB-CE2 4.43Å; A448-Y452 WeakPolarHBondContact O-CB 3.44Å; A448-Y452 WeakPolarHBondContact O-CD2 3.21Å; A448-Y452 PolarHBondContact O-N 2.77Å; I449-Y452 PolarHBondContact O-N 2.97Å; Y452-T454 VanDerWaalsContact C-N 3.27Å; Y452-T454 PolarHBondContact O-N 3.25Å; Y452-A455 PolarHBondContact O-N 3.38Å; Y452-L456 WeakPolarHBondContact O-CG 3.35Å; Y452-L456 PolarHBondContact O-N 3Å; Y452-A465 HydrophobicContact CD1-CB 3.99Å; Y452-N468 HydrophobicContact CD1-CB 4.48Å; Y452-N468 HydrophobicContact CD2-CB 4.44Å; Y452-N468 HydrophobicContact CE1-CB 3.76Å; Y452-N468 HydrophobicContact CE2-CB 3.71Å; Y452-N468 WeakPolarHBondContact OH-CB 3.45Å; Y452-L469 HydrophobicContact CD2-CB 4.49Å; Y452-L469 HydrophobicContact CG-CB 4.32Å
453R98.2Very high96.8Very high124 Ų12457 Ų5747%0.46831%0.312SS..Hα-helixtrans-60.3-39.1173.9-77.8177.6174.5164.51.7111.4I449 A450 L456 K457 L469 D478I449-R453 HydrophobicContact CG2-CG 4.49Å; I449-R453 WeakPolarHBondContact O-CB 3.37Å; I449-R453 WeakPolarHBondContact O-CG 3.44Å; I449-R453 PolarHBondContact O-N 2.8Å; A450-R453 PolarHBondContact O-N 3Å; R453-L456 PolarHBondContact O-N 3.49Å; R453-K457 WeakPolarHBondContact O-CB 3.36Å; R453-K457 PolarHBondContact O-N 2.92Å; R453-L469 HydrophobicContact CG-CD1 4.37Å; R453-L469 HydrophobicContact CG-CD2 4.06Å; R453-D478 IonicContact NH2-OD2 2.69Å
454T98.1Very high97Very high58 Ų5858.3 Ų58.336%0.35631%0.307SS..Hα-helixtrans-66.2-45.4175.9-56.30000111.3A450 S451 Y452 L456 K457 L458A450-T454 PolarHBondContact O-N 3.4Å; A450-T454 PolarHBondContact O-OG1 3.46Å; S451-T454 WeakPolarHBondContact O-CB 3.4Å; S451-T454 PolarHBondContact O-N 3.27Å; Y452-T454 VanDerWaalsContact C-N 3.27Å; Y452-T454 PolarHBondContact O-N 3.25Å; T454-L456 VanDerWaalsContact C-N 3.33Å; T454-L456 PolarHBondContact O-N 2.84Å; T454-K457 PolarHBondContact O-N 3.09Å; T454-L458 HydrophobicContact CG2-CD1 4.21Å; T454-L458 WeakPolarHBondContact O-CG 3.49Å; T454-L458 PolarHBondContact O-N 3.34Å
455A98.2Very high97.2Very high0 Ų054.7 Ų54.70%029%0.288CS..Hα-helixtrans-56.9-44.917500000112H432 S451 Y452 L458 K459 F462 A465H432-A455 HydrophobicContact CB-CB 3.88Å; S451-A455 PolarHBondContact O-N 3.33Å; Y452-A455 PolarHBondContact O-N 3.38Å; A455-L458 PolarHBondContact O-N 3.47Å; A455-K459 PolarHBondContact O-N 2.59Å; A455-F462 HydrophobicContact CB-CD1 4.41Å; A455-F462 HydrophobicContact CB-CE1 4.47Å; A455-A465 HydrophobicContact CB-CB 4.37Å
456L97.9Very high97.3Very high25 Ų2555.5 Ų55.513%0.13129%0.29CS..Hα-helixtrans-71.4-28.4178.7-72.3165.8000113.5Y452 R453 T454 L458 K459 P460 F462 A465 Y466 L469Y452-L456 WeakPolarHBondContact O-CG 3.35Å; Y452-L456 PolarHBondContact O-N 3Å; R453-L456 PolarHBondContact O-N 3.49Å; T454-L456 VanDerWaalsContact C-N 3.33Å; T454-L456 PolarHBondContact O-N 2.84Å; L456-L458 VanDerWaalsContact C-N 3.35Å; L456-K459 WeakPolarHBondContact CA-O 3.17Å; L456-K459 CarbonylContact O-C 3.59Å; L456-K459 VanDerWaalsContact O-C 3.29Å; L456-P460 VanDerWaalsContact O-CA 3.28Å; L456-P460 WeakPolarHBondContact O-CA 3.29Å; L456-F462 HydrophobicContact CD2-CB 4.03Å; L456-A465 HydrophobicContact CD2-CB 4.14Å; L456-A465 HydrophobicContact CG-CB 4.11Å; L456-Y466 HydrophobicContact CD1-CD2 4.18Å; L456-Y466 HydrophobicContact CD2-CD2 4.42Å; L456-L469 HydrophobicContact CD1-CB 4.43Å; L456-L469 HydrophobicContact CD1-CD2 3.58Å
457K98Very high97.3Very high181 Ų18152.9 Ų52.979%0.78727%0.273SS*.Hα-helixtrans-67.2-38.8171.7-174.8-179.4178.7-1770111.3R453 T454R453-K457 WeakPolarHBondContact O-CB 3.36Å; R453-K457 PolarHBondContact O-N 2.92Å; T454-K457 PolarHBondContact O-N 3.09Å
458L97.2Very high97.3Very high72 Ų7250.1 Ų50.138%0.37726%0.261SS..Hα-helixtrans-75.7-39.2178.4-66.2169.2000112A427 A429 T454 A455 L456A427-L458 HydrophobicContact CB-CD2 4.21Å; A429-L458 HydrophobicContact CB-CB 3.95Å; T454-L458 HydrophobicContact CG2-CD1 4.21Å; T454-L458 WeakPolarHBondContact O-CG 3.49Å; T454-L458 PolarHBondContact O-N 3.34Å; A455-L458 PolarHBondContact O-N 3.47Å; L456-L458 VanDerWaalsContact C-N 3.35Å
459K97Very high97.3Very high85 Ų8550.9 Ų50.937%0.3727%0.265SS..  trans-133.693.5179.5-174-179177.3-1790109.9A429 A455 L456 D461 F462A429-K459 HydrophobicContact CB-CB 3.74Å; A429-K459 HydrophobicContact CB-CD 4.45Å; A455-K459 PolarHBondContact O-N 2.59Å; L456-K459 WeakPolarHBondContact CA-O 3.17Å; L456-K459 CarbonylContact O-C 3.59Å; L456-K459 VanDerWaalsContact O-C 3.29Å; K459-D461 VanDerWaalsContact C-N 3.35Å; K459-D461 WeakPolarHBondContact CE-O 3.46Å; K459-D461 PolarHBondContact O-N 3.44Å; K459-F462 HydrophobicContact CB-CB 4.44Å; K459-F462 HydrophobicContact CB-CD1 4.37Å; K459-F462 HydrophobicContact CD-CB 4.17Å; K459-F462 HydrophobicContact CD-CD1 4.01Å; K459-F462 HydrophobicContact CD-CG 4.08Å; K459-F462 HydrophobicContact CG-CB 4.15Å; K459-F462 WeakPolarHBondContact O-CB 3.2Å
460P96.2Very high97.3Very high97 Ų9750.2 Ų50.263%0.6326%0.262SS*.SBendtrans-63.4-34.5-177.2-27.136.3000114.8L456 F462L456-P460 VanDerWaalsContact O-CA 3.28Å; L456-P460 WeakPolarHBondContact O-CA 3.29Å; P460-F462 PolarHBondContact O-N 3.4Å
461D94.7Very high97.3Very high131 Ų13148.4 Ų48.470%0.70124%0.244SC*.  trans-90.179.4171.9-173.823.8000110.2K459K459-D461 VanDerWaalsContact C-N 3.35Å; K459-D461 WeakPolarHBondContact CE-O 3.46Å; K459-D461 PolarHBondContact O-N 3.44Å
462F96.8Very high97.3Very high15 Ų1547.6 Ų47.67%0.06624%0.238CC..  trans-136.981.1177.9-161.4173.9000111.3A429 D430 A455 L456 K459 P460 D464 A465 Y466A429-F462 HydrophobicContact CB-CE1 4.43Å; D430-F462 VanDerWaalsContact OD1-CZ 3.28Å; D430-F462 WeakPolarHBondContact OD1-CZ 3.42Å; A455-F462 HydrophobicContact CB-CD1 4.41Å; A455-F462 HydrophobicContact CB-CE1 4.47Å; L456-F462 HydrophobicContact CD2-CB 4.03Å; K459-F462 HydrophobicContact CB-CB 4.44Å; K459-F462 HydrophobicContact CB-CD1 4.37Å; K459-F462 HydrophobicContact CD-CB 4.17Å; K459-F462 HydrophobicContact CD-CD1 4.01Å; K459-F462 HydrophobicContact CD-CG 4.08Å; K459-F462 HydrophobicContact CG-CB 4.15Å; K459-F462 WeakPolarHBondContact O-CB 3.2Å; P460-F462 PolarHBondContact O-N 3.4Å; F462-D464 VanDerWaalsContact C-N 3.34Å; F462-D464 HydrophobicContact CD2-CB 4.35Å; F462-D464 HydrophobicContact CE2-CB 4.07Å; F462-D464 PolarHBondContact O-N 2.94Å; F462-A465 HydrophobicContact CB-CB 4.12Å; F462-A465 HydrophobicContact CD1-CB 3.63Å; F462-A465 HydrophobicContact CD2-CB 4.17Å; F462-A465 HydrophobicContact CE1-CB 4.1Å; F462-A465 HydrophobicContact CG-CB 3.69Å; F462-A465 PolarHBondContact O-N 2.92Å; F462-Y466 PolarHBondContact O-N 2.92Å
463P96.6Very high97.3Very high34 Ų3447.8 Ų47.822%0.22124%0.24CC..Hα-helixtrans-49.2-45.3-177.3-3540.1000115.5Y466 C467 I492 S504P463-Y466 PolarHBondContact O-N 3.48Å; P463-C467 PolarHBondContact O-N 3.16Å; P463-C467 PolarHBondContact O-SG 2.92Å; P463-I492 HydrophobicContact CB-CG2 3.7Å; P463-I492 HydrophobicContact CG-CG2 4.34Å; P463-S504 WeakPolarHBondContact CB-OG 3.12Å
464D94.7Very high97.2Very high76 Ų7641.9 Ų41.941%0.40622%0.217SC..Hα-helixtrans-64.9-45.7-178.2-62.6-54.6000112F462 Y466 N468 S504F462-D464 VanDerWaalsContact C-N 3.34Å; F462-D464 HydrophobicContact CD2-CB 4.35Å; F462-D464 HydrophobicContact CE2-CB 4.07Å; F462-D464 PolarHBondContact O-N 2.94Å; D464-Y466 VanDerWaalsContact C-N 3.32Å; D464-Y466 PolarHBondContact O-N 3.36Å; D464-N468 WeakPolarHBondContact O-CB 3.46Å; D464-N468 PolarHBondContact O-N 3.49Å; D464-N468 VanDerWaalsContact O-N 3.1Å; D464-N468 PolarHBondContact O-ND2 2.96Å; D464-S504 WeakPolarHBondContact CA-OG 3.39Å; D464-S504 VanDerWaalsContact CG-OG 3.31Å; D464-S504 PolarHBondContact N-OG 3.39Å; D464-S504 VanDerWaalsContact OD1-CB 3.26Å; D464-S504 WeakPolarHBondContact OD1-CB 3.45Å; D464-S504 PolarHBondContact OD1-OG 3.05Å
465A97.1Very high97.2Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-64.1-39.4175.600000111.2Y452 A455 L456 F462 L469Y452-A465 HydrophobicContact CD1-CB 3.99Å; A455-A465 HydrophobicContact CB-CB 4.37Å; L456-A465 HydrophobicContact CD2-CB 4.14Å; L456-A465 HydrophobicContact CG-CB 4.11Å; F462-A465 HydrophobicContact CB-CB 4.12Å; F462-A465 HydrophobicContact CD1-CB 3.63Å; F462-A465 HydrophobicContact CD2-CB 4.17Å; F462-A465 HydrophobicContact CE1-CB 4.1Å; F462-A465 HydrophobicContact CG-CB 3.69Å; F462-A465 PolarHBondContact O-N 2.92Å; A465-L469 VanDerWaalsContact O-CB 3.27Å; A465-L469 WeakPolarHBondContact O-CB 3.33Å; A465-L469 PolarHBondContact O-N 3.5Å
466Y98.2Very high97.2Very high29 Ų2940.7 Ų40.711%0.11421%0.209CC..Hα-helixtrans-65.1-49.7179.4-169.6-91.5000112.6L456 F462 P463 D464 N468 L469 A470 R485 K488 I492L456-Y466 HydrophobicContact CD1-CD2 4.18Å; L456-Y466 HydrophobicContact CD2-CD2 4.42Å; F462-Y466 PolarHBondContact O-N 2.92Å; P463-Y466 PolarHBondContact O-N 3.48Å; D464-Y466 VanDerWaalsContact C-N 3.32Å; D464-Y466 PolarHBondContact O-N 3.36Å; Y466-N468 PolarHBondContact O-N 3.41Å; Y466-L469 PolarHBondContact O-N 2.91Å; Y466-A470 WeakPolarHBondContact O-CB 3.23Å; Y466-A470 PolarHBondContact O-N 2.67Å; Y466-R485 HydrophobicContact CE1-CG 4.35Å; Y466-R485 WeakPolarHBondContact OH-CA 3.42Å; Y466-K488 HydrophobicContact CD1-CG 4.44Å; Y466-K488 HydrophobicContact CE1-CB 4.02Å; Y466-K488 HydrophobicContact CE1-CD 4Å; Y466-K488 HydrophobicContact CE1-CG 3.74Å; Y466-K488 HydrophobicContact CE2-CD 3.83Å; Y466-K488 HydrophobicContact CE2-CG 4.49Å; Y466-I492 HydrophobicContact CD1-CD1 3.46Å; Y466-I492 VanDerWaalsContact CD1-CD1 3.46Å; Y466-I492 HydrophobicContact CE1-CD1 4.11Å; Y466-I492 HydrophobicContact CG-CD1 3.99Å
467C97.5Very high97.2Very high4 Ų439.5 Ų39.53%0.02720%0.203CC..Hα-helixtrans-66.9-38.6-178.9-63.70000111.6P463 A470 H471 V505P463-C467 PolarHBondContact O-N 3.16Å; P463-C467 PolarHBondContact O-SG 2.92Å; C467-A470 PolarHBondContact O-N 2.98Å; C467-H471 PolarHBondContact O-N 2.95Å; C467-V505 HydrophobicContact CB-CG2 4.15Å
468N97.3Very high97.2Very high32 Ų3232 Ų3217%0.17117%0.171CC..Hα-helixtrans-68.5-38174.9-77.2-67.8000112.5K440 Y452 D464 Y466 H471 C472K440-N468 PolarHBondContact NZ-OD1 3.22Å; Y452-N468 HydrophobicContact CD1-CB 4.48Å; Y452-N468 HydrophobicContact CD2-CB 4.44Å; Y452-N468 HydrophobicContact CE1-CB 3.76Å; Y452-N468 HydrophobicContact CE2-CB 3.71Å; Y452-N468 WeakPolarHBondContact OH-CB 3.45Å; D464-N468 WeakPolarHBondContact O-CB 3.46Å; D464-N468 PolarHBondContact O-N 3.49Å; D464-N468 VanDerWaalsContact O-N 3.1Å; D464-N468 PolarHBondContact O-ND2 2.96Å; Y466-N468 PolarHBondContact O-N 3.41Å; N468-H471 WeakPolarHBondContact O-CB 3.42Å; N468-H471 PolarHBondContact O-N 2.9Å; N468-C472 PolarHBondContact O-N 3.22Å; N468-C472 PolarHBondContact O-SG 2.94Å; N468-C472 VanDerWaalsContact O-SG 3.37Å
469L97.9Very high97.2Very high17 Ų1729.3 Ų29.39%0.08916%0.156CC..Hα-helixtrans-60.3-47.1171.4176.459000111I449 Y452 R453 L456 A465 Y466 H471 C472 L473I449-L469 HydrophobicContact CB-CD1 4.29Å; I449-L469 HydrophobicContact CG1-CD1 4.21Å; I449-L469 HydrophobicContact CG2-CD1 3.96Å; Y452-L469 HydrophobicContact CD2-CB 4.49Å; Y452-L469 HydrophobicContact CG-CB 4.32Å; R453-L469 HydrophobicContact CG-CD1 4.37Å; R453-L469 HydrophobicContact CG-CD2 4.06Å; L456-L469 HydrophobicContact CD1-CB 4.43Å; L456-L469 HydrophobicContact CD1-CD2 3.58Å; A465-L469 VanDerWaalsContact O-CB 3.27Å; A465-L469 WeakPolarHBondContact O-CB 3.33Å; A465-L469 PolarHBondContact O-N 3.5Å; Y466-L469 PolarHBondContact O-N 2.91Å; L469-H471 PolarHBondContact O-N 3.32Å; L469-C472 PolarHBondContact O-N 2.98Å; L469-C472 VanDerWaalsContact O-N 3.08Å; L469-L473 HydrophobicContact CD1-CD1 4.12Å; L469-L473 HydrophobicContact CD1-CD2 4.35Å; L469-L473 HydrophobicContact CD1-CG 3.98Å; L469-L473 HydrophobicContact CG-CD1 3.95Å; L469-L473 HydrophobicContact CG-CG 4.27Å; L469-L473 WeakPolarHBondContact O-CG 3.27Å; L469-L473 PolarHBondContact O-N 3.31Å
470A97.6Very high97.2Very high1 Ų130.3 Ų30.31%0.00817%0.169CC..Hα-helixtrans-57.5-37.9177.700000111.8Y466 C467 Q474 R485 L489Y466-A470 WeakPolarHBondContact O-CB 3.23Å; Y466-A470 PolarHBondContact O-N 2.67Å; C467-A470 PolarHBondContact O-N 2.98Å; A470-Q474 WeakPolarHBondContact O-CB 3.28Å; A470-Q474 PolarHBondContact O-N 3.34Å; A470-R485 HydrophobicContact CB-CG 3.96Å; A470-L489 HydrophobicContact CB-CD1 3.98Å
471H97.1Very high97.2Very high17 Ų1728.5 Ų28.58%0.07915%0.154CC..Hα-helixtrans-66.5-45.1172.9-169.467.3000112.9C467 N468 L469 L473 Q474 I475 H509 Y513C467-H471 PolarHBondContact O-N 2.95Å; N468-H471 WeakPolarHBondContact O-CB 3.42Å; N468-H471 PolarHBondContact O-N 2.9Å; L469-H471 PolarHBondContact O-N 3.32Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.36Å; H471-Q474 WeakPolarHBondContact O-CB 3.35Å; H471-Q474 PolarHBondContact O-N 3.29Å; H471-Q474 VanDerWaalsContact O-N 3.16Å; H471-I475 WeakPolarHBondContact O-CG1 3.49Å; H471-I475 PolarHBondContact O-N 3.26Å; H471-H509 AromaticContact CD2-CE1 3.72Å; H471-H509 AromaticContact CD2-ND1 3.94Å; H471-H509 AromaticContact CE1-CD2 3.44Å; H471-H509 PolarHBondContact CE1-CD2 3.03Å; H471-H509 VanDerWaalsContact CE1-CD2 3.44Å; H471-H509 AromaticContact CE1-CE1 3.86Å; H471-H509 AromaticContact CE1-CG 3.58Å; H471-H509 AromaticContact CE1-ND1 3.82Å; H471-H509 AromaticContact CE1-NE2 3.67Å; H471-H509 AromaticContact CG-ND1 3.76Å; H471-H509 AromaticContact ND1-CD2 3.95Å; H471-H509 AromaticContact ND1-CG 3.59Å; H471-H509 AromaticContact ND1-ND1 3.68Å; H471-H509 AromaticContact NE2-CD2 3.8Å; H471-H509 AromaticContact NE2-CE1 3.61Å; H471-H509 AromaticContact NE2-ND1 3.97Å; H471-H509 AromaticContact NE2-NE2 3.52Å; H471-Y513 WeakPolarHBondContact CA-OH 3.33Å; H471-Y513 VanDerWaalsContact CB-OH 3.32Å; H471-Y513 WeakPolarHBondContact CB-OH 3.44Å; H471-Y513 PolarHBondContact ND1-OH 3.04Å; H471-Y513 VanDerWaalsContact ND1-OH 3.13Å
472C97.8Very high97.3Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-60.7-40.5175.5-67.60000112.3I445 I449 N468 L469 Q474 I475 V476I445-C472 HydrophobicContact CG2-CB 3.99Å; I449-C472 HydrophobicContact CD1-CB 4.21Å; I449-C472 HydrophobicContact CG1-CB 3.61Å; N468-C472 PolarHBondContact O-N 3.22Å; N468-C472 PolarHBondContact O-SG 2.94Å; N468-C472 VanDerWaalsContact O-SG 3.37Å; L469-C472 PolarHBondContact O-N 2.98Å; L469-C472 VanDerWaalsContact O-N 3.08Å; C472-Q474 VanDerWaalsContact C-N 3.34Å; C472-I475 WeakPolarHBondContact O-CB 3.45Å; C472-I475 PolarHBondContact O-N 3.37Å; C472-V476 PolarHBondContact O-N 2.88Å; C472-V476 VanDerWaalsContact O-N 3.17Å
473L98.3Very high97.3Very high6 Ų628.4 Ų28.43%0.03115%0.152CC..Hα-helixtrans-65.2-37.8175.2-65173000111.5I449 L469 H471 V476 C477 D478I449-L473 HydrophobicContact CD1-CD2 4.13Å; I449-L473 HydrophobicContact CG1-CD2 4.44Å; I449-L473 HydrophobicContact CG2-CD2 4.31Å; L469-L473 HydrophobicContact CD1-CD1 4.12Å; L469-L473 HydrophobicContact CD1-CD2 4.35Å; L469-L473 HydrophobicContact CD1-CG 3.98Å; L469-L473 HydrophobicContact CG-CD1 3.95Å; L469-L473 HydrophobicContact CG-CG 4.27Å; L469-L473 WeakPolarHBondContact O-CG 3.27Å; L469-L473 PolarHBondContact O-N 3.31Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.36Å; L473-V476 PolarHBondContact O-N 3.4Å; L473-C477 PolarHBondContact O-N 3.02Å; L473-D478 HydrophobicContact CB-CB 4.26Å; L473-D478 HydrophobicContact CD2-CB 3.76Å; L473-D478 PolarHBondContact O-N 3.27Å
474Q97.6Very high97.4Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-61.7-42.7171.8-176.160.735.100111.7A470 H471 C472 V476 C477 Y851 I853A470-Q474 WeakPolarHBondContact O-CB 3.28Å; A470-Q474 PolarHBondContact O-N 3.34Å; H471-Q474 WeakPolarHBondContact O-CB 3.35Å; H471-Q474 PolarHBondContact O-N 3.29Å; H471-Q474 VanDerWaalsContact O-N 3.16Å; C472-Q474 VanDerWaalsContact C-N 3.34Å; Q474-V476 VanDerWaalsContact C-N 3.33Å; Q474-V476 PolarHBondContact O-N 3.22Å; Q474-C477 PolarHBondContact O-N 3.28Å; Q474-Y851 PolarHBondContact NE2-O 3.01Å; Q474-I853 PolarHBondContact NE2-O 3.29Å
475I96.9Very high97.5Very high25 Ų2530.1 Ų30.113%0.12816%0.155CC..Hα-helixtrans-59.7-41.4178.8-72.8167.4000112.2I445 H471 C472 C477 P879I445-I475 HydrophobicContact CD1-CD1 4.34Å; I445-I475 HydrophobicContact CD1-CG2 4.44Å; I445-I475 HydrophobicContact CG1-CG2 4.06Å; I445-I475 HydrophobicContact CG2-CG2 4.31Å; H471-I475 WeakPolarHBondContact O-CG1 3.49Å; H471-I475 PolarHBondContact O-N 3.26Å; C472-I475 WeakPolarHBondContact O-CB 3.45Å; C472-I475 PolarHBondContact O-N 3.37Å; I475-C477 VanDerWaalsContact C-N 3.34Å; I475-P879 HydrophobicContact CG2-CG 3.63Å; I475-P879 WeakPolarHBondContact O-CD 3.36Å
476V97.7Very high97.5Very high8 Ų830.4 Ų30.45%0.04816%0.156CC..THydrogen-bonded Turntrans-92.86.9-179.2-520000113.1I445 I449 C472 L473 Q474 D478 V881 G882 N885I445-V476 HydrophobicContact CB-CG1 4.1Å; I445-V476 HydrophobicContact CG2-CG1 3.48Å; I445-V476 VanDerWaalsContact CG2-CG1 3.48Å; I449-V476 HydrophobicContact CD1-CG1 4.25Å; I449-V476 HydrophobicContact CD1-CG2 3.84Å; C472-V476 PolarHBondContact O-N 2.88Å; C472-V476 VanDerWaalsContact O-N 3.17Å; L473-V476 PolarHBondContact O-N 3.4Å; Q474-V476 VanDerWaalsContact C-N 3.33Å; Q474-V476 PolarHBondContact O-N 3.22Å; V476-D478 HydrophobicContact CG2-CB 3.96Å; V476-D478 PolarHBondContact O-N 3.02Å; V476-V881 HydrophobicContact CB-CG2 4.33Å; V476-V881 HydrophobicContact CG1-CG2 3.57Å; V476-G882 VanDerWaalsContact O-CA 3.31Å; V476-G882 WeakPolarHBondContact O-CA 3.1Å; V476-N885 PolarHBondContact O-ND2 3.28Å
477C98.2Very high97.5Very high0 Ų036.4 Ų36.40%018%0.183CC..THydrogen-bonded Turntrans5535.6-176.6-52.60000113.9L473 Q474 I475 W479 L850 N885 I886 Y889L473-C477 PolarHBondContact O-N 3.02Å; Q474-C477 PolarHBondContact O-N 3.28Å; I475-C477 VanDerWaalsContact C-N 3.34Å; C477-W479 HydrophobicContact CB-CZ2 3.87Å; C477-W479 PolarHBondContact O-N 3Å; C477-L850 PolarHBondContact SG-O 2.94Å; C477-N885 HydrophobicContact CB-CB 4.38Å; C477-N885 WeakPolarHBondContact O-CB 3.35Å; C477-I886 HydrophobicContact CB-CD1 3.74Å; C477-I886 HydrophobicContact CB-CG1 3.99Å; C477-Y889 VanDerWaalsContact O-CE2 3.26Å; C477-Y889 WeakPolarHBondContact O-CE2 3.38Å
478D98.1Very high97.5Very high23 Ų2341 Ų4112%0.12320%0.203CC..  trans-82110169.2-176.4-18.7000109.2R453 L473 V476 T480 R485R453-D478 IonicContact NH2-OD2 2.69Å; L473-D478 HydrophobicContact CB-CB 4.26Å; L473-D478 HydrophobicContact CD2-CB 3.76Å; L473-D478 PolarHBondContact O-N 3.27Å; V476-D478 HydrophobicContact CG2-CB 3.96Å; V476-D478 PolarHBondContact O-N 3.02Å; D478-T480 WeakPolarHBondContact OD1-CB 3.16Å; D478-T480 VanDerWaalsContact OD1-CG2 3.31Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.46Å; D478-T480 PolarHBondContact OD1-N 2.89Å; D478-T480 VanDerWaalsContact OD1-N 3.07Å; D478-T480 PolarHBondContact OD1-OG1 3.31Å; D478-R485 PolarHBondContact O-NH1 3.06Å; D478-R485 PolarHBondContact O-NH2 2.95Å
479W97.8Very high97.6Very high15 Ų1539.5 Ų39.56%0.05719%0.194CC..  trans-113.619.4-175.5-52.6-32.5000112.7C477 D481 Y482 I853 P855 L858 I886 Y889C477-W479 HydrophobicContact CB-CZ2 3.87Å; C477-W479 PolarHBondContact O-N 3Å; W479-D481 VanDerWaalsContact C-N 3.31Å; W479-D481 PolarHBondContact O-N 3.44Å; W479-Y482 HydrophobicContact CB-CD2 4.3Å; W479-Y482 AromaticContact CD1-CD2 3.67Å; W479-Y482 HydrophobicContact CG-CD2 4.15Å; W479-Y482 PolarHBondContact O-N 3.05Å; W479-I853 HydrophobicContact CH2-CG2 3.94Å; W479-I853 HydrophobicContact CZ2-CG2 4.05Å; W479-P855 HydrophobicContact CB-CG 4.02Å; W479-P855 HydrophobicContact CD2-CB 4.45Å; W479-P855 HydrophobicContact CD2-CG 3.64Å; W479-P855 HydrophobicContact CE3-CB 4.16Å; W479-P855 HydrophobicContact CE3-CG 3.84Å; W479-P855 HydrophobicContact CG-CG 3.73Å; W479-L858 HydrophobicContact CH2-CB 3.81Å; W479-L858 HydrophobicContact CH2-CD2 3.85Å; W479-L858 HydrophobicContact CH2-CG 4.45Å; W479-L858 HydrophobicContact CZ3-CB 3.98Å; W479-L858 HydrophobicContact CZ3-CD2 3.59Å; W479-L858 HydrophobicContact CZ3-CG 4.43Å; W479-I886 HydrophobicContact CH2-CD1 3.62Å; W479-I886 HydrophobicContact CZ2-CD1 3.98Å; W479-I886 HydrophobicContact CZ3-CD1 4.44Å; W479-Y889 VanDerWaalsContact CA-OH 3.29Å; W479-Y889 WeakPolarHBondContact CA-OH 3.34Å; W479-Y889 HydrophobicContact CB-CE1 4.08Å; W479-Y889 HydrophobicContact CB-CE2 4Å; W479-Y889 HydrophobicContact CD2-CD2 4.07Å; W479-Y889 HydrophobicContact CD2-CE2 4.03Å; W479-Y889 AromaticContact CE3-CD1 3.96Å; W479-Y889 HydrophobicContact CE3-CD1 3.96Å; W479-Y889 AromaticContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CE1 4.26Å; W479-Y889 AromaticContact CE3-CE2 3.78Å; W479-Y889 HydrophobicContact CE3-CE2 3.78Å; W479-Y889 AromaticContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CG-CE2 4.16Å; W479-Y889 AromaticContact CZ3-CD2 3.83Å; W479-Y889 HydrophobicContact CZ3-CD2 3.83Å; W479-Y889 AromaticContact CZ3-CG 3.87Å; W479-Y889 HydrophobicContact CZ3-CG 3.87Å; W479-Y889 PolarHBondContact N-OH 3.14Å
480T96.3Very high97.6Very high106 Ų10640.3 Ų40.365%0.6520%0.2SC*.THydrogen-bonded Turntrans-55-40.3-175.144.80000113.9D478 Y889D478-T480 WeakPolarHBondContact OD1-CB 3.16Å; D478-T480 VanDerWaalsContact OD1-CG2 3.31Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.46Å; D478-T480 PolarHBondContact OD1-N 2.89Å; D478-T480 VanDerWaalsContact OD1-N 3.07Å; D478-T480 PolarHBondContact OD1-OG1 3.31Å; T480-Y889 PolarHBondContact N-OH 3.09Å
481D96.3Very high97.6Very high59 Ų5944 Ų4432%0.31623%0.226SC..THydrogen-bonded Turntrans-122.832.8176.265.8-34.3000112.7W479 D483 E484 R485W479-D481 VanDerWaalsContact C-N 3.31Å; W479-D481 PolarHBondContact O-N 3.44Å; D481-D483 PolarHBondContact O-N 3.45Å; D481-E484 PolarHBondContact O-N 3.15Å; D481-R485 WeakPolarHBondContact O-CB 3.48Å; D481-R485 PolarHBondContact O-N 3.28Å; D481-R485 IonicContact OD1-CZ 2.75Å; D481-R485 IonicContact OD1-NH1 3.68Å; D481-R485 PolarHBondContact OD1-NH1 3Å
482Y97.4Very high97.6Very high28 Ų2844.3 Ų44.311%0.1123%0.228CC..Hα-helixtrans-50.9-54.6-168-171.9-90.4000114.2W479 R485 M486 P855W479-Y482 HydrophobicContact CB-CD2 4.3Å; W479-Y482 AromaticContact CD1-CD2 3.67Å; W479-Y482 HydrophobicContact CG-CD2 4.15Å; W479-Y482 PolarHBondContact O-N 3.05Å; Y482-R485 PolarHBondContact O-N 3.04Å; Y482-M486 HydrophobicContact CD1-CG 4.12Å; Y482-M486 HydrophobicContact CD2-CE 3.88Å; Y482-M486 HydrophobicContact CE1-CE 4.38Å; Y482-M486 HydrophobicContact CE1-CG 3.83Å; Y482-M486 HydrophobicContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact O-CG 3.28Å; Y482-M486 WeakPolarHBondContact O-CG 3.46Å; Y482-M486 PolarHBondContact O-N 3.27Å; Y482-P855 HydrophobicContact CD1-CG 4.02Å; Y482-P855 HydrophobicContact CD2-CG 4.02Å; Y482-P855 HydrophobicContact CE1-CG 4.29Å; Y482-P855 HydrophobicContact CE2-CG 4.28Å; Y482-P855 HydrophobicContact CG-CG 3.89Å
483D96.8Very high97.6Very high116 Ų11644.3 Ų44.362%0.6223%0.228SC*.Hα-helixtrans-66.3-42.3-174.4-67.9-37.3000112.8D481 R485 M486 K487D481-D483 PolarHBondContact O-N 3.45Å; D483-R485 VanDerWaalsContact C-N 3.35Å; D483-M486 PolarHBondContact O-N 3.29Å; D483-K487 WeakPolarHBondContact O-CG 3.46Å; D483-K487 PolarHBondContact O-N 2.87Å
484E98Very high97.6Very high143 Ų14345.5 Ų45.567%0.66824%0.238SC*.Hα-helixtrans-65.1-42.7177.3-67.6171.6175.800110.6D481 K487 K488D481-E484 PolarHBondContact O-N 3.15Å; E484-K487 PolarHBondContact O-N 3.24Å; E484-K488 WeakPolarHBondContact O-CB 3.32Å; E484-K488 PolarHBondContact O-N 3.5Å
485R97.6Very high97.6Very high3 Ų348.4 Ų48.41%0.01125%0.254CS..Hα-helixtrans-63.3-43.7177.6-175.517370.5-124.78.7112.5Y466 A470 D478 D481 Y482 D483 K488 L489Y466-R485 HydrophobicContact CE1-CG 4.35Å; Y466-R485 WeakPolarHBondContact OH-CA 3.42Å; A470-R485 HydrophobicContact CB-CG 3.96Å; D478-R485 PolarHBondContact O-NH1 3.06Å; D478-R485 PolarHBondContact O-NH2 2.95Å; D481-R485 WeakPolarHBondContact O-CB 3.48Å; D481-R485 PolarHBondContact O-N 3.28Å; D481-R485 IonicContact OD1-CZ 2.75Å; D481-R485 IonicContact OD1-NH1 3.68Å; D481-R485 PolarHBondContact OD1-NH1 3Å; Y482-R485 PolarHBondContact O-N 3.04Å; D483-R485 VanDerWaalsContact C-N 3.35Å; R485-K488 PolarHBondContact O-N 3Å; R485-L489 WeakPolarHBondContact O-CB 3.34Å; R485-L489 PolarHBondContact O-N 2.87Å
486M97.8Very high97.5Very high7 Ų747.8 Ų47.83%0.03425%0.251CS..Hα-helixtrans-65.4-43.8176.7-67-50.6158.100111.6Y482 D483 K488 L489 V490 Y513 P514Y482-M486 HydrophobicContact CD1-CG 4.12Å; Y482-M486 HydrophobicContact CD2-CE 3.88Å; Y482-M486 HydrophobicContact CE1-CE 4.38Å; Y482-M486 HydrophobicContact CE1-CG 3.83Å; Y482-M486 HydrophobicContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact O-CG 3.28Å; Y482-M486 WeakPolarHBondContact O-CG 3.46Å; Y482-M486 PolarHBondContact O-N 3.27Å; D483-M486 PolarHBondContact O-N 3.29Å; M486-K488 VanDerWaalsContact C-N 3.34Å; M486-K488 PolarHBondContact O-N 3.02Å; M486-L489 PolarHBondContact O-N 3.16Å; M486-V490 WeakPolarHBondContact O-CG2 3.32Å; M486-V490 PolarHBondContact O-N 3.37Å; M486-Y513 HydrophobicContact CE-CD1 4.23Å; M486-Y513 HydrophobicContact CE-CE1 4.41Å; M486-Y513 HydrophobicContact SD-CD1 3.75Å; M486-Y513 HydrophobicContact SD-CE1 4.41Å; M486-P514 HydrophobicContact CB-CG 3.89Å; M486-P514 HydrophobicContact CG-CG 4.39Å
487K98Very high97.4Very high155 Ų15548.6 Ų48.667%0.67426%0.255SS*.Hα-helixtrans-58.2-44.8174.9-74.2172.8-175.61730112D483 E484 V490 S491D483-K487 WeakPolarHBondContact O-CG 3.46Å; D483-K487 PolarHBondContact O-N 2.87Å; E484-K487 PolarHBondContact O-N 3.24Å; K487-V490 PolarHBondContact O-N 2.89Å; K487-S491 PolarHBondContact O-N 2.98Å
488K97.8Very high97.2Very high100 Ų10056.6 Ų56.644%0.43529%0.292SS..Hα-helixtrans-66-41.2177.9-178.1164.9171.2-177.40112.1Y466 E484 R485 M486 V490 S491 I492Y466-K488 HydrophobicContact CD1-CG 4.44Å; Y466-K488 HydrophobicContact CE1-CB 4.02Å; Y466-K488 HydrophobicContact CE1-CD 4Å; Y466-K488 HydrophobicContact CE1-CG 3.74Å; Y466-K488 HydrophobicContact CE2-CD 3.83Å; Y466-K488 HydrophobicContact CE2-CG 4.49Å; E484-K488 WeakPolarHBondContact O-CB 3.32Å; E484-K488 PolarHBondContact O-N 3.5Å; R485-K488 PolarHBondContact O-N 3Å; M486-K488 VanDerWaalsContact C-N 3.34Å; M486-K488 PolarHBondContact O-N 3.02Å; K488-V490 PolarHBondContact O-N 2.85Å; K488-S491 WeakPolarHBondContact O-CB 3.22Å; K488-S491 PolarHBondContact O-N 2.8Å; K488-I492 HydrophobicContact CG-CD1 4.07Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.37Å
489L97.8Very high96.9Very high0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-59.5-45.4175.3-177.8155.7000111.5A470 R485 M486 S491 I492 V493 V505 Y513 L515A470-L489 HydrophobicContact CB-CD1 3.98Å; R485-L489 WeakPolarHBondContact O-CB 3.34Å; R485-L489 PolarHBondContact O-N 2.87Å; M486-L489 PolarHBondContact O-N 3.16Å; L489-S491 VanDerWaalsContact C-N 3.34Å; L489-S491 PolarHBondContact O-N 3.39Å; L489-I492 PolarHBondContact O-N 2.94Å; L489-V493 HydrophobicContact CD2-CG2 4.36Å; L489-V493 WeakPolarHBondContact O-CG2 3.44Å; L489-V493 PolarHBondContact O-N 3.1Å; L489-V493 VanDerWaalsContact O-N 3.09Å; L489-V505 HydrophobicContact CD1-CG2 4.31Å; L489-V505 HydrophobicContact CD2-CG2 3.82Å; L489-V505 HydrophobicContact CG-CG2 4.03Å; L489-Y513 HydrophobicContact CD1-CD1 4.06Å; L489-Y513 HydrophobicContact CD1-CD2 4.04Å; L489-Y513 HydrophobicContact CD1-CE1 4.05Å; L489-Y513 HydrophobicContact CD1-CE2 4.03Å; L489-Y513 HydrophobicContact CD1-CG 4.07Å; L489-Y513 HydrophobicContact CD2-CD2 3.95Å; L489-Y513 HydrophobicContact CD2-CG 3.95Å; L489-L515 HydrophobicContact CD2-CD2 4.36Å
490V98.1Very high96.5Very high34 Ų3465.4 Ų65.421%0.20634%0.335CS..Hα-helixtrans-62-41.9176.4176.70000111.5M486 K487 K488 V493 A494 P514 L515 F519M486-V490 WeakPolarHBondContact O-CG2 3.32Å; M486-V490 PolarHBondContact O-N 3.37Å; K487-V490 PolarHBondContact O-N 2.89Å; K488-V490 PolarHBondContact O-N 2.85Å; V490-V493 PolarHBondContact O-N 3.49Å; V490-A494 PolarHBondContact O-N 3.27Å; V490-P514 HydrophobicContact CG2-CG 4.28Å; V490-L515 HydrophobicContact CB-CD2 4.37Å; V490-L515 HydrophobicContact CG1-CD2 4.39Å; V490-L515 HydrophobicContact CG2-CD2 3.89Å; V490-F519 HydrophobicContact CG1-CD2 4.48Å; V490-F519 HydrophobicContact CG1-CE2 4.12Å
491S98Very high96Very high79 Ų7967.9 Ų67.955%0.55233%0.332SS*.Hα-helixtrans-61.2-43.7176.4179.30000112.5K487 K488 L489 V493 A494 D495K487-S491 PolarHBondContact O-N 2.98Å; K488-S491 WeakPolarHBondContact O-CB 3.22Å; K488-S491 PolarHBondContact O-N 2.8Å; L489-S491 VanDerWaalsContact C-N 3.34Å; L489-S491 PolarHBondContact O-N 3.39Å; S491-V493 PolarHBondContact O-N 3.26Å; S491-A494 PolarHBondContact O-N 2.97Å; S491-D495 PolarHBondContact O-N 3.49Å
492I97.7Very high95.7Very high23 Ų2369 Ų6912%0.11834%0.338CS..Hα-helixtrans-59-47.4175.9-72.4165.4000111.1P463 Y466 K488 L489 A494 D495 Q496P463-I492 HydrophobicContact CB-CG2 3.7Å; P463-I492 HydrophobicContact CG-CG2 4.34Å; Y466-I492 HydrophobicContact CD1-CD1 3.46Å; Y466-I492 VanDerWaalsContact CD1-CD1 3.46Å; Y466-I492 HydrophobicContact CE1-CD1 4.11Å; Y466-I492 HydrophobicContact CG-CD1 3.99Å; K488-I492 HydrophobicContact CG-CD1 4.07Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.37Å; L489-I492 PolarHBondContact O-N 2.94Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 3.32Å; I492-D495 PolarHBondContact O-N 3.23Å; I492-Q496 HydrophobicContact CG2-CG 4.46Å; I492-Q496 WeakPolarHBondContact O-CB 3.23Å; I492-Q496 VanDerWaalsContact O-CG 3.29Å; I492-Q496 WeakPolarHBondContact O-CG 3.19Å; I492-Q496 PolarHBondContact O-N 2.66Å
493V97.5Very high95.6Very high0 Ų067.9 Ų67.90%033%0.334CS..Hα-helixtrans-61.9-43.8179169.90000110.9L489 V490 S491 Q496 L497 V505 L515 F519 I523L489-V493 HydrophobicContact CD2-CG2 4.36Å; L489-V493 WeakPolarHBondContact O-CG2 3.44Å; L489-V493 PolarHBondContact O-N 3.1Å; L489-V493 VanDerWaalsContact O-N 3.09Å; V490-V493 PolarHBondContact O-N 3.49Å; S491-V493 PolarHBondContact O-N 3.26Å; V493-Q496 PolarHBondContact O-N 2.91Å; V493-L497 HydrophobicContact CG1-CD1 3.78Å; V493-L497 HydrophobicContact CG1-CG 4.3Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.31Å; V493-L497 WeakPolarHBondContact O-CG 3.38Å; V493-L497 PolarHBondContact O-N 3.07Å; V493-V505 HydrophobicContact CG2-CB 4.05Å; V493-V505 HydrophobicContact CG2-CG2 3.52Å; V493-L515 HydrophobicContact CB-CD2 4.23Å; V493-L515 HydrophobicContact CG1-CD2 4.18Å; V493-L515 HydrophobicContact CG2-CD2 4.27Å; V493-F519 HydrophobicContact CG1-CB 4.4Å; V493-F519 HydrophobicContact CG1-CG 4.44Å; V493-I523 HydrophobicContact CG1-CD1 3.91Å; V493-I523 HydrophobicContact CG1-CG1 4.13Å
494A97.5Very high95.5Very high31 Ų3162.9 Ų62.926%0.25631%0.308SS..Hα-helixtrans-59.5-49.3178.100000111.5V490 S491 I492 Q496 L497 E498 F519V490-A494 PolarHBondContact O-N 3.27Å; S491-A494 PolarHBondContact O-N 2.97Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 3.32Å; A494-Q496 PolarHBondContact O-N 2.91Å; A494-L497 PolarHBondContact O-N 3.19Å; A494-E498 WeakPolarHBondContact O-CB 3.37Å; A494-E498 PolarHBondContact O-N 3.39Å; A494-F519 HydrophobicContact CB-CE2 4.28Å; A494-F519 HydrophobicContact CB-CZ 3.83Å
495D97.4Very high95.4Very high61 Ų6156.2 Ų56.233%0.32628%0.277SS..Hα-helixtrans-59.7-43.6178-178.281.9000112.4S491 I492 E498 K499S491-D495 PolarHBondContact O-N 3.49Å; I492-D495 PolarHBondContact O-N 3.23Å; D495-E498 PolarHBondContact O-N 2.96Å; D495-K499 WeakPolarHBondContact O-CB 3.32Å; D495-K499 WeakPolarHBondContact O-CG 3.35Å; D495-K499 PolarHBondContact O-N 2.99Å; D495-K499 WeakPolarHBondContact OD1-CE 3.31Å; D495-K499 IonicContact OD1-NZ 3.84Å; D495-K499 PolarHBondContact OD1-NZ 2.91Å; D495-K499 WeakPolarHBondContact OD2-CE 3.47Å; D495-K499 IonicContact OD2-NZ 3.2Å; D495-K499 PolarHBondContact OD2-NZ 2.86Å
496Q96.3Very high95.3Very high13 Ų1359.5 Ų59.56%0.06129%0.293CS..Hα-helixtrans-65.9-43.4179.4-73.1176-38.200112.2I492 V493 A494 K499 N500 R501 S504I492-Q496 HydrophobicContact CG2-CG 4.46Å; I492-Q496 WeakPolarHBondContact O-CB 3.23Å; I492-Q496 VanDerWaalsContact O-CG 3.29Å; I492-Q496 WeakPolarHBondContact O-CG 3.19Å; I492-Q496 PolarHBondContact O-N 2.66Å; V493-Q496 PolarHBondContact O-N 2.91Å; A494-Q496 PolarHBondContact O-N 2.91Å; Q496-K499 CarbonylContact O-C 3.37Å; Q496-K499 PolarHBondContact O-N 2.89Å; Q496-N500 PolarHBondContact O-N 3.48Å; Q496-R501 HydrophobicContact CB-CB 4.36Å; Q496-R501 PolarHBondContact O-N 3.47Å; Q496-S504 PolarHBondContact NE2-OG 2.9Å
497L94.5Very high95.3Very high25 Ų2559.2 Ų59.213%0.13129%0.291CS..Hα-helixtrans-65.8-42178.2-72.9175.5000111.7V493 A494 K499 N500 P503 F519 A522 R526V493-L497 HydrophobicContact CG1-CD1 3.78Å; V493-L497 HydrophobicContact CG1-CG 4.3Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.31Å; V493-L497 WeakPolarHBondContact O-CG 3.38Å; V493-L497 PolarHBondContact O-N 3.07Å; A494-L497 PolarHBondContact O-N 3.19Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 3.26Å; L497-N500 PolarHBondContact O-N 3.08Å; L497-N500 VanDerWaalsContact O-N 3.14Å; L497-P503 HydrophobicContact CD2-CG 3.53Å; L497-P503 HydrophobicContact CG-CG 4.04Å; L497-F519 HydrophobicContact CD1-CB 4.42Å; L497-F519 HydrophobicContact CD1-CD1 3.64Å; L497-F519 HydrophobicContact CD1-CE1 4.25Å; L497-F519 HydrophobicContact CD1-CG 4.27Å; L497-A522 HydrophobicContact CD1-CB 3.82Å; L497-A522 HydrophobicContact CD2-CB 3.86Å; L497-A522 HydrophobicContact CG-CB 4.49Å; L497-R526 HydrophobicContact CD2-CG 4.05Å
498E95.4Very high95.1Very high167 Ų16754.2 Ų54.278%0.7827%0.27SS*.Hα-helixtrans-61-41.1175.4-174.1177.3-175.100111.6A494 D495 N500A494-E498 WeakPolarHBondContact O-CB 3.37Å; A494-E498 PolarHBondContact O-N 3.39Å; D495-E498 PolarHBondContact O-N 2.96Å; E498-N500 PolarHBondContact O-N 2.89Å
499K91.8Very high95Very high110 Ų11050.9 Ų50.948%0.47826%0.256SS..THydrogen-bonded Turntrans-81.110.8176.9-68.1173.9-176.1159.10114.3D495 Q496 L497 R501D495-K499 WeakPolarHBondContact O-CB 3.32Å; D495-K499 WeakPolarHBondContact O-CG 3.35Å; D495-K499 PolarHBondContact O-N 2.99Å; D495-K499 WeakPolarHBondContact OD1-CE 3.31Å; D495-K499 IonicContact OD1-NZ 3.84Å; D495-K499 PolarHBondContact OD1-NZ 2.91Å; D495-K499 WeakPolarHBondContact OD2-CE 3.47Å; D495-K499 IonicContact OD2-NZ 3.2Å; D495-K499 PolarHBondContact OD2-NZ 2.86Å; Q496-K499 CarbonylContact O-C 3.37Å; Q496-K499 PolarHBondContact O-N 2.89Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 3.26Å; K499-R501 HydrophobicContact CB-CG 4.19Å; K499-R501 PolarHBondContact O-N 2.99Å
500N87.8Confident94.9Very high113 Ų11351.3 Ų51.360%0.60426%0.259SS*.THydrogen-bonded Turntrans57.129.8179.4-162.267.3000113.5Q496 L497 E498 R526Q496-N500 PolarHBondContact O-N 3.48Å; L497-N500 PolarHBondContact O-N 3.08Å; L497-N500 VanDerWaalsContact O-N 3.14Å; E498-N500 PolarHBondContact O-N 2.89Å; N500-R526 PolarHBondContact OD1-NH1 2.97Å; N500-R526 PolarHBondContact OD1-NH2 3.43Å
501R86.7Confident94.8Very high159 Ų15950.4 Ų50.460%0.625%0.253SS*.PPolyproline II helixtrans-95.2156.4178.4-66-176.6178.4-177.5-1.9111.2Q496 K499 P503Q496-R501 HydrophobicContact CB-CB 4.36Å; Q496-R501 PolarHBondContact O-N 3.47Å; K499-R501 HydrophobicContact CB-CG 4.19Å; K499-R501 PolarHBondContact O-N 2.99Å; R501-P503 VanDerWaalsContact O-CD 3.31Å; R501-P503 WeakPolarHBondContact O-CD 3.46Å
502L89.8Confident94.7Very high82 Ų8246.7 Ų46.743%0.42923%0.227SC..PPolyproline II helixtrans-64.3123.4169.8-175.466.6000108.9R526 L530L502-R526 HydrophobicContact CD1-CB 3.92Å; L502-L530 HydrophobicContact CD2-CD2 4.22Å
503P95.1Very high94.7Very high5 Ų545.9 Ų45.93%0.03222%0.222CC..PPolyproline II helixtrans-66.5141.6179.5-25.637.7000112.4L497 R501 V505 I523 R526L497-P503 HydrophobicContact CD2-CG 3.53Å; L497-P503 HydrophobicContact CG-CG 4.04Å; R501-P503 VanDerWaalsContact O-CD 3.31Å; R501-P503 WeakPolarHBondContact O-CD 3.46Å; P503-V505 PolarHBondContact O-N 3.38Å; P503-I523 HydrophobicContact CB-CG1 3.94Å; P503-I523 HydrophobicContact CG-CG1 3.97Å; P503-R526 HydrophobicContact CG-CG 4.34Å
504S94.8Very high94.7Very high11 Ų1149.8 Ų49.88%0.07725%0.247CC..SBendtrans-69.7-15.6176.6-68.10000113.5P463 D464 Q496P463-S504 WeakPolarHBondContact CB-OG 3.12Å; D464-S504 WeakPolarHBondContact CA-OG 3.39Å; D464-S504 VanDerWaalsContact CG-OG 3.31Å; D464-S504 PolarHBondContact N-OG 3.39Å; D464-S504 VanDerWaalsContact OD1-CB 3.26Å; D464-S504 WeakPolarHBondContact OD1-CB 3.45Å; D464-S504 PolarHBondContact OD1-OG 3.05Å; Q496-S504 PolarHBondContact NE2-OG 2.9Å
505V96.7Very high94.6Very high3 Ų348.7 Ų48.72%0.01824%0.237CC..SBendtrans-85.6119.8173.7173.80000109C467 L489 V493 P503 Y513 L515 I523C467-V505 HydrophobicContact CB-CG2 4.15Å; L489-V505 HydrophobicContact CD1-CG2 4.31Å; L489-V505 HydrophobicContact CD2-CG2 3.82Å; L489-V505 HydrophobicContact CG-CG2 4.03Å; V493-V505 HydrophobicContact CG2-CB 4.05Å; V493-V505 HydrophobicContact CG2-CG2 3.52Å; P503-V505 PolarHBondContact O-N 3.38Å; V505-Y513 HydrophobicContact CG1-CD2 3.88Å; V505-Y513 HydrophobicContact CG1-CE2 3.86Å; V505-Y513 HydrophobicContact CG2-CE2 4.5Å; V505-L515 HydrophobicContact CG1-CD1 4.49Å; V505-I523 HydrophobicContact CB-CD1 4.27Å; V505-I523 HydrophobicContact CG1-CD1 4.18Å; V505-I523 WeakPolarHBondContact O-CG2 3.48Å
506H94.6Very high94.6Very high72 Ų7248.6 Ų48.633%0.33324%0.242SC..  trans-67142.2173.7-169.9-104.5000111.2H508 H509 S510 Y642H506-H508 VanDerWaalsContact C-N 3.29Å; H506-H508 PolarHBondContact ND1-N 3.43Å; H506-H508 PolarHBondContact O-N 3.34Å; H506-H509 PolarHBondContact O-N 3.29Å; H506-S510 PolarHBondContact O-N 3.21Å; H506-Y642 PolarHBondContact CE1-O 2.84Å
507P97Very high94.6Very high1 Ų149.4 Ų49.41%0.00625%0.245CC..Hα-helixtrans-54.4-43.2-175.9-26.433.2000113.1H509 S510 I523 A524 H527 Y642 Y665P507-H509 PolarHBondContact O-N 3.46Å; P507-S510 WeakPolarHBondContact O-CB 3.33Å; P507-S510 PolarHBondContact O-N 3.44Å; P507-S510 VanDerWaalsContact O-N 3.1Å; P507-S510 PolarHBondContact O-OG 2.9Å; P507-I523 HydrophobicContact CB-CG2 4.33Å; P507-I523 HydrophobicContact CG-CG2 3.99Å; P507-A524 HydrophobicContact CB-CB 4.46Å; P507-H527 WeakPolarHBondContact CD-NE2 3.31Å; P507-H527 HydrophobicContact CG-CB 3.93Å; P507-H527 VanDerWaalsContact CG-CG 3.48Å; P507-Y642 HydrophobicContact CB-CD2 3.41Å; P507-Y642 VanDerWaalsContact CB-CD2 3.41Å; P507-Y642 HydrophobicContact CB-CE2 4.04Å; P507-Y642 HydrophobicContact CB-CG 3.81Å; P507-Y642 HydrophobicContact CG-CD1 4.24Å; P507-Y642 HydrophobicContact CG-CD2 3.69Å; P507-Y642 HydrophobicContact CG-CE2 4.09Å; P507-Y642 HydrophobicContact CG-CG 3.76Å; P507-Y665 VanDerWaalsContact CB-OH 3.32Å; P507-Y665 WeakPolarHBondContact CB-OH 3.36Å; P507-Y665 PolarHBondContact O-OH 3.29Å
508H94.5Very high94.7Very high50 Ų5050.4 Ų50.423%0.23126%0.262CS..Hα-helixtrans-61.8-25.8178.3-173.7-119.5000113.6H506 M511 Y665H506-H508 VanDerWaalsContact C-N 3.29Å; H506-H508 PolarHBondContact ND1-N 3.43Å; H506-H508 PolarHBondContact O-N 3.34Å; H508-M511 WeakPolarHBondContact O-CE 3.47Å; H508-Y665 HydrophobicContact CB-CE2 4.02Å; H508-Y665 AromaticContact CD2-CE2 3.91Å; H508-Y665 PolarHBondContact N-OH 3.05Å
509H95.4Very high94.8Very high30 Ų3045.3 Ų45.314%0.13924%0.237CC..Hα-helixtrans-89-20.3179-54.1161.6000112.2H471 H506 P507 M511 L512 Y513H471-H509 AromaticContact CD2-CE1 3.72Å; H471-H509 AromaticContact CD2-ND1 3.94Å; H471-H509 AromaticContact CE1-CD2 3.44Å; H471-H509 PolarHBondContact CE1-CD2 3.03Å; H471-H509 VanDerWaalsContact CE1-CD2 3.44Å; H471-H509 AromaticContact CE1-CE1 3.86Å; H471-H509 AromaticContact CE1-CG 3.58Å; H471-H509 AromaticContact CE1-ND1 3.82Å; H471-H509 AromaticContact CE1-NE2 3.67Å; H471-H509 AromaticContact CG-ND1 3.76Å; H471-H509 AromaticContact ND1-CD2 3.95Å; H471-H509 AromaticContact ND1-CG 3.59Å; H471-H509 AromaticContact ND1-ND1 3.68Å; H471-H509 AromaticContact NE2-CD2 3.8Å; H471-H509 AromaticContact NE2-CE1 3.61Å; H471-H509 AromaticContact NE2-ND1 3.97Å; H471-H509 AromaticContact NE2-NE2 3.52Å; H506-H509 PolarHBondContact O-N 3.29Å; P507-H509 PolarHBondContact O-N 3.46Å; H509-M511 PolarHBondContact O-N 3.35Å; H509-M511 VanDerWaalsContact O-N 3.08Å; H509-L512 WeakPolarHBondContact O-CB 3.36Å; H509-L512 PolarHBondContact O-N 2.86Å; H509-Y513 HydrophobicContact CB-CE2 3.74Å; H509-Y513 WeakPolarHBondContact O-CD2 3.3Å; H509-Y513 VanDerWaalsContact O-CE2 3.28Å; H509-Y513 WeakPolarHBondContact O-CE2 3.02Å
510S97.2Very high95.1Very high8 Ų841.7 Ų41.76%0.05622%0.22CC..Hα-helixtrans-58.4-26.1-174.774.80000113.8H506 P507 L512 Y513 R520H506-S510 PolarHBondContact O-N 3.21Å; P507-S510 WeakPolarHBondContact O-CB 3.33Å; P507-S510 PolarHBondContact O-N 3.44Å; P507-S510 VanDerWaalsContact O-N 3.1Å; P507-S510 PolarHBondContact O-OG 2.9Å; S510-L512 PolarHBondContact O-N 3.34Å; S510-Y513 PolarHBondContact O-N 2.9Å; S510-R520 PolarHBondContact O-NE 3.17Å
511M95.2Very high95.6Very high15 Ų1538.6 Ų38.67%0.07420%0.202CC..THydrogen-bonded Turntrans-66.5-20.7175.263.2179176.300113.8H508 H509 P666 A952H508-M511 WeakPolarHBondContact O-CE 3.47Å; H509-M511 PolarHBondContact O-N 3.35Å; H509-M511 VanDerWaalsContact O-N 3.08Å; M511-P666 HydrophobicContact CE-CG 4.29Å; M511-P666 HydrophobicContact SD-CG 3.97Å; M511-A952 HydrophobicContact CB-CB 4.15Å; M511-A952 HydrophobicContact CG-CB 4.33Å; M511-A952 HydrophobicContact SD-CB 3.34Å; M511-A952 WeakPolarHBondContact SD-CB 3.48Å
512L96.8Very high96.2Very high2 Ų232 Ų321%0.0118%0.181CC..THydrogen-bonded Turntrans-88-8.2-178.2-56.6175.6000113.5H509 S510 Y851 L926 C927H509-L512 WeakPolarHBondContact O-CB 3.36Å; H509-L512 PolarHBondContact O-N 2.86Å; S510-L512 PolarHBondContact O-N 3.34Å; L512-Y851 HydrophobicContact CD1-CD2 3.57Å; L512-Y851 HydrophobicContact CD1-CE2 3.95Å; L512-Y851 HydrophobicContact CD2-CD2 3.86Å; L512-Y851 HydrophobicContact CD2-CE2 3.89Å; L512-Y851 HydrophobicContact CG-CD2 4.36Å; L512-Y851 HydrophobicContact CG-CE2 4.49Å; L512-L926 HydrophobicContact CB-CD2 4.45Å; L512-L926 HydrophobicContact CD2-CD2 4.09Å; L512-L926 HydrophobicContact CD2-CG 4.3Å; L512-C927 HydrophobicContact CD2-CB 3.96Å
513Y97Very high96.5Very high5 Ų528.1 Ų28.12%0.0216%0.161CC..SBendtrans-114.2152.5-171.9-52.1-47.1000110.6H471 M486 L489 V505 H509 S510 L515 R520H471-Y513 WeakPolarHBondContact CA-OH 3.33Å; H471-Y513 VanDerWaalsContact CB-OH 3.32Å; H471-Y513 WeakPolarHBondContact CB-OH 3.44Å; H471-Y513 PolarHBondContact ND1-OH 3.04Å; H471-Y513 VanDerWaalsContact ND1-OH 3.13Å; M486-Y513 HydrophobicContact CE-CD1 4.23Å; M486-Y513 HydrophobicContact CE-CE1 4.41Å; M486-Y513 HydrophobicContact SD-CD1 3.75Å; M486-Y513 HydrophobicContact SD-CE1 4.41Å; L489-Y513 HydrophobicContact CD1-CD1 4.06Å; L489-Y513 HydrophobicContact CD1-CD2 4.04Å; L489-Y513 HydrophobicContact CD1-CE1 4.05Å; L489-Y513 HydrophobicContact CD1-CE2 4.03Å; L489-Y513 HydrophobicContact CD1-CG 4.07Å; L489-Y513 HydrophobicContact CD2-CD2 3.95Å; L489-Y513 HydrophobicContact CD2-CG 3.95Å; V505-Y513 HydrophobicContact CG1-CD2 3.88Å; V505-Y513 HydrophobicContact CG1-CE2 3.86Å; V505-Y513 HydrophobicContact CG2-CE2 4.5Å; H509-Y513 HydrophobicContact CB-CE2 3.74Å; H509-Y513 WeakPolarHBondContact O-CD2 3.3Å; H509-Y513 VanDerWaalsContact O-CE2 3.28Å; H509-Y513 WeakPolarHBondContact O-CE2 3.02Å; S510-Y513 PolarHBondContact O-N 2.9Å; Y513-L515 HydrophobicContact CD2-CD1 4.49Å; Y513-L515 PolarHBondContact O-N 3.38Å; Y513-R520 PolarHBondContact O-NH2 3.08Å
514P96.4Very high96.7Very high82 Ų8227.9 Ų27.953%0.53216%0.16SC..  trans-76.752.1179.833.6-36.8000112M486 V490M486-P514 HydrophobicContact CB-CG 3.89Å; M486-P514 HydrophobicContact CG-CG 4.39Å; V490-P514 HydrophobicContact CG2-CG 4.28Å
515L96.9Very high96.8Very high9 Ų931 Ų315%0.04717%0.173CC..  trans-81.1153.1173.9-64.2168.4000110.1L489 V490 V493 V505 Y513 F519 R520 I523L489-L515 HydrophobicContact CD2-CD2 4.36Å; V490-L515 HydrophobicContact CB-CD2 4.37Å; V490-L515 HydrophobicContact CG1-CD2 4.39Å; V490-L515 HydrophobicContact CG2-CD2 3.89Å; V493-L515 HydrophobicContact CB-CD2 4.23Å; V493-L515 HydrophobicContact CG1-CD2 4.18Å; V493-L515 HydrophobicContact CG2-CD2 4.27Å; V505-L515 HydrophobicContact CG1-CD1 4.49Å; Y513-L515 HydrophobicContact CD2-CD1 4.49Å; Y513-L515 PolarHBondContact O-N 3.38Å; L515-F519 HydrophobicContact CB-CB 4.21Å; L515-F519 HydrophobicContact CD2-CB 4.37Å; L515-F519 HydrophobicContact CD2-CD2 4.14Å; L515-R520 HydrophobicContact CB-CG 4.04Å; L515-R520 HydrophobicContact CD1-CG 4.44Å; L515-R520 PolarHBondContact O-NH1 3.45Å; L515-R520 PolarHBondContact O-NH2 3.47Å; L515-I523 HydrophobicContact CD1-CD1 3.71Å
516S96.6Very high96.8Very high59 Ų5933.8 Ų33.841%0.41318%0.183SC..  trans-69.9158.5167.668.60000110.6G518 F519 R520S516-G518 PolarHBondContact O-N 3.49Å; S516-F519 PolarHBondContact O-N 3.45Å; S516-F519 VanDerWaalsContact O-N 3.12Å; S516-F519 WeakPolarHBondContact OG-CD2 3.39Å; S516-F519 VanDerWaalsContact OG-CG 3.31Å; S516-F519 WeakPolarHBondContact OG-CG 3.39Å; S516-F519 PolarHBondContact OG-N 3.06Å; S516-F519 VanDerWaalsContact OG-N 3.13Å; S516-R520 PolarHBondContact O-N 3.12Å
517H96.7Very high96.8Very high29 Ų2931.7 Ų31.713%0.13417%0.173CC..Hα-helixtrans-56.4-42173.2-62.5-39.5000112F519 R520 K521 Q691 E949H517-F519 VanDerWaalsContact C-N 3.33Å; H517-F519 PolarHBondContact O-N 3.46Å; H517-R520 PolarHBondContact ND1-NH1 3.01Å; H517-R520 PolarHBondContact O-N 2.98Å; H517-K521 WeakPolarHBondContact O-CB 3.36Å; H517-K521 PolarHBondContact O-N 3.3Å; H517-Q691 HydrophobicContact CB-CB 3.75Å; H517-E949 IonicContact CD2-OE2 3.9Å; H517-E949 VanDerWaalsContact CE1-CB 3.44Å; H517-E949 WeakPolarHBondContact CE1-CB 3.22Å; H517-E949 IonicContact CE1-OE2 2.65Å; H517-E949 IonicContact NE2-OE2 3.15Å; H517-E949 PolarHBondContact NE2-OE2 3.45Å
518G96.7Very high96.7Very high47 Ų4731.6 Ų31.649%0.48517%0.173SC..Hα-helixtrans-57.2-42.6174.500000112.9S516 A522S516-G518 PolarHBondContact O-N 3.49Å; G518-A522 VanDerWaalsContact O-CB 3.25Å; G518-A522 WeakPolarHBondContact O-CB 3.25Å; G518-A522 PolarHBondContact O-N 3.27Å
519F97.8Very high96.7Very high60 Ų6032.1 Ų32.126%0.26318%0.177SC..Hα-helixtrans-67.3-42.6176.1-70.9-20.2000112.9V490 V493 A494 L497 L515 S516 H517 K521 A522 I523V490-F519 HydrophobicContact CG1-CD2 4.48Å; V490-F519 HydrophobicContact CG1-CE2 4.12Å; V493-F519 HydrophobicContact CG1-CB 4.4Å; V493-F519 HydrophobicContact CG1-CG 4.44Å; A494-F519 HydrophobicContact CB-CE2 4.28Å; A494-F519 HydrophobicContact CB-CZ 3.83Å; L497-F519 HydrophobicContact CD1-CB 4.42Å; L497-F519 HydrophobicContact CD1-CD1 3.64Å; L497-F519 HydrophobicContact CD1-CE1 4.25Å; L497-F519 HydrophobicContact CD1-CG 4.27Å; L515-F519 HydrophobicContact CB-CB 4.21Å; L515-F519 HydrophobicContact CD2-CB 4.37Å; L515-F519 HydrophobicContact CD2-CD2 4.14Å; S516-F519 PolarHBondContact O-N 3.45Å; S516-F519 VanDerWaalsContact O-N 3.12Å; S516-F519 WeakPolarHBondContact OG-CD2 3.39Å; S516-F519 VanDerWaalsContact OG-CG 3.31Å; S516-F519 WeakPolarHBondContact OG-CG 3.39Å; S516-F519 PolarHBondContact OG-N 3.06Å; S516-F519 VanDerWaalsContact OG-N 3.13Å; H517-F519 VanDerWaalsContact C-N 3.33Å; H517-F519 PolarHBondContact O-N 3.46Å; F519-K521 VanDerWaalsContact C-N 3.32Å; F519-K521 PolarHBondContact O-N 3.01Å; F519-A522 PolarHBondContact O-N 3.19Å; F519-I523 WeakPolarHBondContact O-CB 3.34Å; F519-I523 WeakPolarHBondContact O-CD1 3.49Å; F519-I523 WeakPolarHBondContact O-CG1 3.33Å; F519-I523 PolarHBondContact O-N 3.35Å
520R98.1Very high96.4Very high33 Ų3334 Ų3413%0.12519%0.188CC..Hα-helixtrans-60.6-44.5177.4-64.5-167.7-170.684.46.9111.4S510 Y513 L515 S516 H517 I523 A524S510-R520 PolarHBondContact O-NE 3.17Å; Y513-R520 PolarHBondContact O-NH2 3.08Å; L515-R520 HydrophobicContact CB-CG 4.04Å; L515-R520 HydrophobicContact CD1-CG 4.44Å; L515-R520 PolarHBondContact O-NH1 3.45Å; L515-R520 PolarHBondContact O-NH2 3.47Å; S516-R520 PolarHBondContact O-N 3.12Å; H517-R520 PolarHBondContact ND1-NH1 3.01Å; H517-R520 PolarHBondContact O-N 2.98Å; R520-I523 PolarHBondContact O-N 2.61Å; R520-A524 PolarHBondContact O-N 3.01Å; R520-A524 VanDerWaalsContact O-N 3.15Å
521K98.3Very high96.1Very high48 Ų4834.1 Ų34.121%0.20919%0.189CC..Hα-helixtrans-62.4-46.7175.3-178.1173.5170.6171.50111.9H517 F519 I523 A524 E525 T668 E690 Y692H517-K521 WeakPolarHBondContact O-CB 3.36Å; H517-K521 PolarHBondContact O-N 3.3Å; F519-K521 VanDerWaalsContact C-N 3.32Å; F519-K521 PolarHBondContact O-N 3.01Å; K521-I523 PolarHBondContact O-N 2.76Å; K521-A524 WeakPolarHBondContact O-CB 3.18Å; K521-A524 PolarHBondContact O-N 2.62Å; K521-A524 VanDerWaalsContact O-N 3.16Å; K521-E525 WeakPolarHBondContact CE-OE1 3.4Å; K521-E525 HydrophobicContact CG-CG 4.47Å; K521-E525 WeakPolarHBondContact CG-OE1 3.42Å; K521-E525 WeakPolarHBondContact O-CG 3.36Å; K521-E525 PolarHBondContact O-N 2.89Å; K521-T668 HydrophobicContact CB-CG2 4.36Å; K521-E690 WeakPolarHBondContact CD-O 3.45Å; K521-E690 PolarHBondContact NZ-O 3.32Å; K521-Y692 WeakPolarHBondContact CE-O 3.42Å; K521-Y692 PolarHBondContact NZ-O 3.35Å
522A97.9Very high95.9Very high21 Ų2135.9 Ų35.917%0.17420%0.198CC..Hα-helixtrans-64.1-36.9178.600000113L497 G518 F519 A524 E525 R526L497-A522 HydrophobicContact CD1-CB 3.82Å; L497-A522 HydrophobicContact CD2-CB 3.86Å; L497-A522 HydrophobicContact CG-CB 4.49Å; G518-A522 VanDerWaalsContact O-CB 3.25Å; G518-A522 WeakPolarHBondContact O-CB 3.25Å; G518-A522 PolarHBondContact O-N 3.27Å; F519-A522 PolarHBondContact O-N 3.19Å; A522-A524 VanDerWaalsContact C-N 3.33Å; A522-E525 PolarHBondContact O-N 3.36Å; A522-R526 VanDerWaalsContact O-CG 3.23Å; A522-R526 WeakPolarHBondContact O-CG 3.25Å; A522-R526 PolarHBondContact O-N 2.86Å
523I97.9Very high95.3Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-59.7-47172.8-70.5162.4000110.3V493 P503 V505 P507 L515 F519 R520 K521 R526 H527V493-I523 HydrophobicContact CG1-CD1 3.91Å; V493-I523 HydrophobicContact CG1-CG1 4.13Å; P503-I523 HydrophobicContact CB-CG1 3.94Å; P503-I523 HydrophobicContact CG-CG1 3.97Å; V505-I523 HydrophobicContact CB-CD1 4.27Å; V505-I523 HydrophobicContact CG1-CD1 4.18Å; V505-I523 WeakPolarHBondContact O-CG2 3.48Å; P507-I523 HydrophobicContact CB-CG2 4.33Å; P507-I523 HydrophobicContact CG-CG2 3.99Å; L515-I523 HydrophobicContact CD1-CD1 3.71Å; F519-I523 WeakPolarHBondContact O-CB 3.34Å; F519-I523 WeakPolarHBondContact O-CD1 3.49Å; F519-I523 WeakPolarHBondContact O-CG1 3.33Å; F519-I523 PolarHBondContact O-N 3.35Å; R520-I523 PolarHBondContact O-N 2.61Å; K521-I523 PolarHBondContact O-N 2.76Å; I523-R526 PolarHBondContact O-N 3.39Å; I523-H527 PolarHBondContact O-N 3.37Å; I523-H527 PolarHBondContact O-ND1 3.46Å
524A98.2Very high94.5Very high1 Ų146 Ų461%0.00825%0.247CC..Hα-helixtrans-64.7-43.5178.100000111.5P507 R520 K521 A522 R526 H527 G528 Y642 T668 S669P507-A524 HydrophobicContact CB-CB 4.46Å; R520-A524 PolarHBondContact O-N 3.01Å; R520-A524 VanDerWaalsContact O-N 3.15Å; K521-A524 WeakPolarHBondContact O-CB 3.18Å; K521-A524 PolarHBondContact O-N 2.62Å; K521-A524 VanDerWaalsContact O-N 3.16Å; A522-A524 VanDerWaalsContact C-N 3.33Å; A524-R526 VanDerWaalsContact C-N 3.31Å; A524-R526 PolarHBondContact O-N 3.15Å; A524-H527 PolarHBondContact O-N 3.37Å; A524-H527 VanDerWaalsContact O-N 3.08Å; A524-G528 PolarHBondContact O-N 3.17Å; A524-Y642 HydrophobicContact CB-CE2 3.99Å; A524-Y642 PolarHBondContact O-OH 3.45Å; A524-T668 HydrophobicContact CB-CG2 4.16Å; A524-S669 CarbonylContact C-O 3.57Å; A524-S669 WeakPolarHBondContact CB-O 3.46Å
525E97.7Very high94Very high75 Ų7542.6 Ų42.635%0.3522%0.224SC..Hα-helixtrans-54.6-43.7174.7-80.2168.5-173.800112.3K521 A522 H527 G528 N529 G670K521-E525 WeakPolarHBondContact CE-OE1 3.4Å; K521-E525 HydrophobicContact CG-CG 4.47Å; K521-E525 WeakPolarHBondContact CG-OE1 3.42Å; K521-E525 WeakPolarHBondContact O-CG 3.36Å; K521-E525 PolarHBondContact O-N 2.89Å; A522-E525 PolarHBondContact O-N 3.36Å; E525-H527 VanDerWaalsContact C-N 3.32Å; E525-H527 PolarHBondContact O-N 3.36Å; E525-G528 PolarHBondContact O-N 3.28Å; E525-N529 WeakPolarHBondContact O-CB 3.47Å; E525-N529 VanDerWaalsContact O-CG 3.24Å; E525-N529 PolarHBondContact O-N 3.47Å; E525-N529 PolarHBondContact O-ND2 3.23Å; E525-G670 VanDerWaalsContact CA-O 3.23Å; E525-G670 WeakPolarHBondContact CA-O 3.21Å; E525-G670 WeakPolarHBondContact CG-O 3.39Å
526R95.1Very high93.3Very high63 Ų6346.9 Ų46.924%0.23825%0.247CC..Hα-helixtrans-63.7-37.1178-66.8-73.2177.6-166.30112.8L497 N500 L502 P503 A522 I523 A524 L530L497-R526 HydrophobicContact CD2-CG 4.05Å; N500-R526 PolarHBondContact OD1-NH1 2.97Å; N500-R526 PolarHBondContact OD1-NH2 3.43Å; L502-R526 HydrophobicContact CD1-CB 3.92Å; P503-R526 HydrophobicContact CG-CG 4.34Å; A522-R526 VanDerWaalsContact O-CG 3.23Å; A522-R526 WeakPolarHBondContact O-CG 3.25Å; A522-R526 PolarHBondContact O-N 2.86Å; I523-R526 PolarHBondContact O-N 3.39Å; A524-R526 VanDerWaalsContact C-N 3.31Å; A524-R526 PolarHBondContact O-N 3.15Å; R526-L530 PolarHBondContact O-N 3Å
527H94.9Very high92.5Very high27 Ų2749 Ų4913%0.12526%0.258CS..Hα-helixtrans-73.8-34.3175.9-72.671.2000112P507 I523 A524 E525 L530 C531 Y642P507-H527 WeakPolarHBondContact CD-NE2 3.31Å; P507-H527 HydrophobicContact CG-CB 3.93Å; P507-H527 VanDerWaalsContact CG-CG 3.48Å; I523-H527 PolarHBondContact O-N 3.37Å; I523-H527 PolarHBondContact O-ND1 3.46Å; A524-H527 PolarHBondContact O-N 3.37Å; A524-H527 VanDerWaalsContact O-N 3.08Å; E525-H527 VanDerWaalsContact C-N 3.32Å; E525-H527 PolarHBondContact O-N 3.36Å; H527-L530 PolarHBondContact O-N 3.29Å; H527-C531 PolarHBondContact O-N 3.47Å; H527-C531 PolarHBondContact O-SG 2.93Å; H527-C531 VanDerWaalsContact O-SG 3.33Å; H527-Y642 HydrophobicContact CB-CD1 4.09Å; H527-Y642 HydrophobicContact CB-CE1 3.5Å; H527-Y642 VanDerWaalsContact CB-CE1 3.5Å
528G95.8Very high91.7Very high0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-62.4-45.7170.700000111.9A524 E525 L530 C531 L532 Y642A524-G528 PolarHBondContact O-N 3.17Å; E525-G528 PolarHBondContact O-N 3.28Å; G528-L530 VanDerWaalsContact C-N 3.33Å; G528-L530 PolarHBondContact O-N 3.14Å; G528-C531 VanDerWaalsContact O-CB 3.29Å; G528-C531 WeakPolarHBondContact O-CB 3.34Å; G528-C531 PolarHBondContact O-N 3.19Å; G528-L532 PolarHBondContact O-N 3.32Å; G528-Y642 WeakPolarHBondContact CA-OH 3.32Å; G528-Y642 PolarHBondContact N-OH 3.3Å; G528-Y642 VanDerWaalsContact N-OH 3.11Å
529N93.6Very high91.1Very high61 Ų6156.6 Ų56.633%0.32628%0.282SS..Hα-helixtrans-63.4-37.7176.9-68.9-19.6000112.4E525 C531 L532 D533E525-N529 WeakPolarHBondContact O-CB 3.47Å; E525-N529 VanDerWaalsContact O-CG 3.24Å; E525-N529 PolarHBondContact O-N 3.47Å; E525-N529 PolarHBondContact O-ND2 3.23Å; N529-C531 PolarHBondContact O-N 3.39Å; N529-L532 WeakPolarHBondContact O-CA 3.38Å; N529-L532 WeakPolarHBondContact O-CB 3.42Å; N529-L532 PolarHBondContact O-N 3.29Å; N529-D533 PolarHBondContact O-N 3.03Å
530L89.6Confident90.6Very high69 Ų6957.1 Ų57.136%0.36128%0.284SS..Hα-helixtrans-58.4-34.4172.8-176.765.8000112.1L502 R526 H527 G528 K534L502-L530 HydrophobicContact CD2-CD2 4.22Å; R526-L530 PolarHBondContact O-N 3Å; H527-L530 PolarHBondContact O-N 3.29Å; G528-L530 VanDerWaalsContact C-N 3.33Å; G528-L530 PolarHBondContact O-N 3.14Å; L530-K534 WeakPolarHBondContact O-CG 3.28Å; L530-K534 PolarHBondContact O-N 2.93Å; L530-K534 VanDerWaalsContact O-N 3.16Å
531C90.7Very high90.4Very high10 Ų1060.1 Ų60.17%0.06831%0.308CS..Hα-helixtrans-67.9-39.4174.1-59.80000111.5H527 G528 N529 K534 I535 E649 A652 F673H527-C531 PolarHBondContact O-N 3.47Å; H527-C531 PolarHBondContact O-SG 2.93Å; H527-C531 VanDerWaalsContact O-SG 3.33Å; G528-C531 VanDerWaalsContact O-CB 3.29Å; G528-C531 WeakPolarHBondContact O-CB 3.34Å; G528-C531 PolarHBondContact O-N 3.19Å; N529-C531 PolarHBondContact O-N 3.39Å; C531-K534 PolarHBondContact O-N 3.33Å; C531-I535 WeakPolarHBondContact O-CG2 3.4Å; C531-I535 PolarHBondContact O-N 3.07Å; C531-I535 VanDerWaalsContact O-N 3.14Å; C531-E649 HydrophobicContact CB-CG 4.39Å; C531-A652 HydrophobicContact CB-CB 4.21Å; C531-F673 HydrophobicContact CB-CE1 4.32Å; C531-F673 HydrophobicContact CB-CZ 4.41Å
532L91.2Very high90.3Very high53 Ų5363.8 Ų63.828%0.27734%0.337SS..Hα-helixtrans-60.3-46.1174.6-67.3170.4000111.2G528 N529 K534 I535 N536 A652 F673G528-L532 PolarHBondContact O-N 3.32Å; N529-L532 WeakPolarHBondContact O-CA 3.38Å; N529-L532 WeakPolarHBondContact O-CB 3.42Å; N529-L532 PolarHBondContact O-N 3.29Å; L532-K534 VanDerWaalsContact C-N 3.31Å; L532-K534 PolarHBondContact O-N 3.43Å; L532-I535 HydrophobicContact CD2-CD1 4.31Å; L532-I535 WeakPolarHBondContact O-CG1 3.43Å; L532-I535 PolarHBondContact O-N 2.88Å; L532-N536 PolarHBondContact O-N 3.3Å; L532-N536 PolarHBondContact O-ND2 3.41Å; L532-N536 PolarHBondContact O-OD1 2.91Å; L532-A652 HydrophobicContact CD2-CB 4.14Å; L532-F673 HydrophobicContact CD2-CD1 4.15Å; L532-F673 HydrophobicContact CG-CD1 4.37Å; L532-F673 HydrophobicContact CG-CE1 4.48Å
533D83.5Confident90.3Very high102 Ų10264.2 Ų64.255%0.54533%0.334SS..Hα-helixtrans-59.5-42.9178.4-66.5-22.3000111.7N529 I535 N536N529-D533 PolarHBondContact O-N 3.03Å; D533-I535 PolarHBondContact O-N 3.42Å; D533-N536 PolarHBondContact O-N 2.93Å
534K80.3Confident90.3Very high116 Ų11672.6 Ų72.650%0.50437%0.373SS..Hα-helixtrans-63.4-37.9177.1-73.9177.3-177.6-175.50113.5L530 C531 L532 E649L530-K534 WeakPolarHBondContact O-CG 3.28Å; L530-K534 PolarHBondContact O-N 2.93Å; L530-K534 VanDerWaalsContact O-N 3.16Å; C531-K534 PolarHBondContact O-N 3.33Å; L532-K534 VanDerWaalsContact C-N 3.31Å; L532-K534 PolarHBondContact O-N 3.43Å; K534-E649 HydrophobicContact CB-CG 4.35Å; K534-E649 HydrophobicContact CD-CG 4.23Å; K534-E649 VanDerWaalsContact CD-OE1 3.25Å; K534-E649 WeakPolarHBondContact CD-OE1 3.33Å; K534-E649 IonicContact NZ-OE1 3.26Å; K534-E649 PolarHBondContact NZ-OE1 3.32Å
535I85.9Confident90.3Very high12 Ų1274.6 Ų74.66%0.06238%0.382CS..Hα-helixtrans-81.9-22.4-177.964.3159.5000113.1C531 L532 D533 V537 L538 E649 A652 L653C531-I535 WeakPolarHBondContact O-CG2 3.4Å; C531-I535 PolarHBondContact O-N 3.07Å; C531-I535 VanDerWaalsContact O-N 3.14Å; L532-I535 HydrophobicContact CD2-CD1 4.31Å; L532-I535 WeakPolarHBondContact O-CG1 3.43Å; L532-I535 PolarHBondContact O-N 2.88Å; D533-I535 PolarHBondContact O-N 3.42Å; I535-V537 PolarHBondContact O-N 3.49Å; I535-L538 HydrophobicContact CB-CD1 4.48Å; I535-L538 VanDerWaalsContact O-CB 3.25Å; I535-L538 WeakPolarHBondContact O-CB 3.31Å; I535-L538 PolarHBondContact O-N 3.25Å; I535-E649 HydrophobicContact CG2-CB 3.68Å; I535-E649 HydrophobicContact CG2-CG 4.1Å; I535-A652 VanDerWaalsContact CD1-C 3.41Å; I535-A652 HydrophobicContact CD1-CB 3.63Å; I535-A652 WeakPolarHBondContact CD1-O 3.31Å; I535-A652 HydrophobicContact CG1-CB 4.29Å; I535-A652 HydrophobicContact CG2-CB 4.44Å; I535-L653 HydrophobicContact CB-CD2 4.13Å; I535-L653 HydrophobicContact CB-CG 4.15Å; I535-L653 HydrophobicContact CD1-CD2 3.91Å; I535-L653 HydrophobicContact CD1-CG 3.9Å; I535-L653 HydrophobicContact CG2-CD1 4.31Å; I535-L653 HydrophobicContact CG2-CG 4.03Å
536N83Confident90.2Very high99 Ų9972.5 Ų72.553%0.52938%0.375SS..Hα-helixtrans-59.2-32-179.6-77.3-24.8000112.4L532 D533 L538 H539L532-N536 PolarHBondContact O-N 3.3Å; L532-N536 PolarHBondContact O-ND2 3.41Å; L532-N536 PolarHBondContact O-OD1 2.91Å; D533-N536 PolarHBondContact O-N 2.93Å; N536-L538 PolarHBondContact O-N 3.31Å; N536-H539 PolarHBondContact O-N 3.25Å; N536-H539 VanDerWaalsContact O-N 3.1Å; N536-H539 PolarHBondContact O-ND1 3.03Å
537V79.3Confident90.3Very high103 Ų10375.9 Ų75.962%0.62439%0.392SS*.THydrogen-bonded Turntrans-61.4-22.1175-178.10000112.5I535 H539I535-V537 PolarHBondContact O-N 3.49Å; V537-H539 VanDerWaalsContact C-N 3.33Å; V537-H539 PolarHBondContact O-CD2 3.45Å
538L79.5Confident90.4Very high69 Ų6977.5 Ų77.536%0.36140%0.401SS..THydrogen-bonded Turntrans-80.5-13.4179-54.9175.5000113.1I535 N536 K540 L653I535-L538 HydrophobicContact CB-CD1 4.48Å; I535-L538 VanDerWaalsContact O-CB 3.25Å; I535-L538 WeakPolarHBondContact O-CB 3.31Å; I535-L538 PolarHBondContact O-N 3.25Å; N536-L538 PolarHBondContact O-N 3.31Å; L538-K540 HydrophobicContact CB-CG 4.15Å; L538-K540 PolarHBondContact O-N 2.96Å; L538-K540 VanDerWaalsContact O-N 3.13Å; L538-L653 HydrophobicContact CD1-CD1 4.33Å
539H85.6Confident90.5Very high166 Ų16679 Ų7977%0.76941%0.409SS*.  trans47.140.4-179.2-59.8-67.6000114.3N536 V537N536-H539 PolarHBondContact O-N 3.25Å; N536-H539 VanDerWaalsContact O-N 3.1Å; N536-H539 PolarHBondContact O-ND1 3.03Å; V537-H539 VanDerWaalsContact C-N 3.33Å; V537-H539 PolarHBondContact O-CD2 3.45Å
540K86Confident90.6Very high71 Ų7183.7 Ų83.731%0.30943%0.427SS..PPolyproline II helixtrans-75.1132.6179.3-78.1-76.1-172.1168.30111L538 D626 L653L538-K540 HydrophobicContact CB-CG 4.15Å; L538-K540 PolarHBondContact O-N 2.96Å; L538-K540 VanDerWaalsContact O-N 3.13Å; K540-D626 IonicContact NZ-OD1 3.91Å; K540-D626 PolarHBondContact NZ-OD1 3.38Å; K540-D626 IonicContact NZ-OD2 3.07Å; K540-D626 PolarHBondContact NZ-OD2 3.25Å; K540-L653 HydrophobicContact CB-CD2 3.81Å; K540-L653 HydrophobicContact CG-CD2 3.95Å
541P93.9Very high90.8Very high96 Ų9687.6 Ų87.662%0.62345%0.447SS*.PPolyproline II helixtrans-68.2155168.730.6-34.1000110.4Y543P541-Y543 PolarHBondContact O-N 2.95Å
542P97Very high91.2Very high126 Ų12687.2 Ų87.282%0.81845%0.445SS*.PPolyproline II helixtrans-55.8138.1169-22.733.5000111.3
543Y97.9Very high91.5Very high30 Ų3091 Ų9112%0.11847%0.465CS..PPolyproline II helixtrans-74.4149.2178.1-65.6-79.3000112.5P541 H545 A625 D626 H629 L653 P655P541-Y543 PolarHBondContact O-N 2.95Å; Y543-H545 PolarHBondContact O-N 3.27Å; Y543-A625 HydrophobicContact CE2-CB 4.45Å; Y543-A625 WeakPolarHBondContact OH-CB 3.3Å; Y543-D626 PolarHBondContact OH-N 3.17Å; Y543-D626 PolarHBondContact OH-OD1 3.48Å; Y543-D626 VanDerWaalsContact OH-OD1 3.13Å; Y543-H629 HydrophobicContact CD1-CB 3.75Å; Y543-H629 AromaticContact CD1-CD2 3.33Å; Y543-H629 WeakPolarHBondContact CD1-CD2 3.43Å; Y543-H629 AromaticContact CD1-CG 3.31Å; Y543-H629 AromaticContact CD1-ND1 3.79Å; Y543-H629 AromaticContact CD1-NE2 3.81Å; Y543-H629 HydrophobicContact CE1-CB 3.83Å; Y543-H629 AromaticContact CE1-CD2 3.92Å; Y543-H629 AromaticContact CE1-CG 3.88Å; Y543-H629 HydrophobicContact CG-CB 4.36Å; Y543-H629 AromaticContact CG-CG 3.92Å; Y543-H629 AromaticContact CG-ND1 3.97Å; Y543-L653 VanDerWaalsContact CD2-O 3.25Å; Y543-L653 WeakPolarHBondContact CD2-O 3.46Å; Y543-L653 HydrophobicContact CE2-CB 4.24Å; Y543-L653 VanDerWaalsContact CE2-O 3.27Å; Y543-L653 WeakPolarHBondContact CE2-O 3.28Å; Y543-P655 HydrophobicContact CD2-CB 4.29Å; Y543-P655 HydrophobicContact CE2-CB 4.19Å
544E97.9Very high92.1Very high175 Ų17588.4 Ų88.482%0.81846%0.462SS*.  trans-85.9105173.6-70.9-168.4171.700111.2H629E544-H629 PolarHBondContact O-CE1 3.19Å; E544-H629 VanDerWaalsContact O-CE1 3.25Å
545H98.2Very high93Very high43 Ų4385.3 Ų85.320%0.19945%0.447CS..  trans-82.3144.8-176.5-53.4139.8000113.8Y543 R654 P657Y543-H545 PolarHBondContact O-N 3.27Å; H545-R654 PolarHBondContact NE2-O 2.87Å; H545-P657 HydrophobicContact CB-CB 3.65Å; H545-P657 HydrophobicContact CB-CG 3.92Å; H545-P657 WeakPolarHBondContact ND1-CA 3.25Å
546P96.2Very high93.6Very high32 Ų3284.8 Ų84.821%0.20844%0.444CS..  trans-54.9143.8169.8-22.632.6000111.9W1024P546-W1024 WeakPolarHBondContact O-CH2 3.36Å
547K95.6Very high94.4Very high134 Ų13482.3 Ų82.358%0.58343%0.428SS*.SBendtrans-112-12177.5-57.8-60.1-179.3-177.70113.6Y1027K547-Y1027 HydrophobicContact CD-CE1 4.18Å; K547-Y1027 PolarHBondContact NZ-OH 3.4Å
548D97.1Very high95.3Very high60 Ų6077.4 Ų77.432%0.32140%0.398SS..SBendtrans-144176.1176.365.739000109.3K550D548-K550 VanDerWaalsContact OD1-CB 3.25Å; D548-K550 WeakPolarHBondContact OD1-CB 3.32Å; D548-K550 WeakPolarHBondContact OD1-CG 3.36Å; D548-K550 PolarHBondContact OD1-N 2.95Å; D548-K550 WeakPolarHBondContact OD2-CD 3.34Å; D548-K550 VanDerWaalsContact OD2-CE 3.31Å; D548-K550 WeakPolarHBondContact OD2-CE 3.23Å; D548-K550 IonicContact OD2-NZ 2.74Å; D548-K550 PolarHBondContact OD2-NZ 3.45Å
549L98Very high96.2Very high33 Ų3374.1 Ų74.117%0.17338%0.381CS..SBendtrans-97.917-178.6-56.4-179.3000112.8S552 D553 G554 L556 W1024L549-S552 CarbonylContact O-C 3.59Å; L549-S552 PolarHBondContact O-N 3.32Å; L549-S552 PolarHBondContact O-OG 3.13Å; L549-D553 PolarHBondContact O-N 3.14Å; L549-G554 WeakPolarHBondContact O-CA 3.4Å; L549-G554 PolarHBondContact O-N 3.4Å; L549-L556 HydrophobicContact CD2-CD1 3.79Å; L549-W1024 HydrophobicContact CD2-CD2 4.24Å; L549-W1024 VanDerWaalsContact CD2-CE2 3.47Å; L549-W1024 HydrophobicContact CD2-CH2 4.47Å; L549-W1024 HydrophobicContact CD2-CZ2 3.6Å; L549-W1024 HydrophobicContact CG-CZ2 4.14Å
550K96.1Very high96.9Very high159 Ų15966.2 Ų66.269%0.69134%0.344SS*.G310 helixtrans-67.1-42.1-173-68.6178-171.6130.60112.4D548 S552 D553D548-K550 VanDerWaalsContact OD1-CB 3.25Å; D548-K550 WeakPolarHBondContact OD1-CB 3.32Å; D548-K550 WeakPolarHBondContact OD1-CG 3.36Å; D548-K550 PolarHBondContact OD1-N 2.95Å; D548-K550 WeakPolarHBondContact OD2-CD 3.34Å; D548-K550 VanDerWaalsContact OD2-CE 3.31Å; D548-K550 WeakPolarHBondContact OD2-CE 3.23Å; D548-K550 IonicContact OD2-NZ 2.74Å; D548-K550 PolarHBondContact OD2-NZ 3.45Å; K550-S552 PolarHBondContact O-N 3.41Å; K550-D553 PolarHBondContact O-N 3.37Å
551L95.3Very high97.5Very high151 Ų15162.9 Ų62.979%0.79133%0.329SS*.G310 helixtrans-71.7-10-179.6-70.2171.3000113.4R557L551-R557 PolarHBondContact O-NH2 3.48Å
552S97.3Very high97.7Very high2 Ų258.3 Ų58.31%0.01430%0.3CS..G310 helixtrans-115.821.8178.655.80000112.4L549 K550 G554 R555 H634L549-S552 CarbonylContact O-C 3.59Å; L549-S552 PolarHBondContact O-N 3.32Å; L549-S552 PolarHBondContact O-OG 3.13Å; K550-S552 PolarHBondContact O-N 3.41Å; S552-G554 VanDerWaalsContact C-N 3.26Å; S552-G554 PolarHBondContact O-N 2.98Å; S552-R555 WeakPolarHBondContact CB-O 3.45Å; S552-R555 VanDerWaalsContact O-CB 3.29Å; S552-R555 WeakPolarHBondContact O-CB 3.42Å; S552-R555 PolarHBondContact O-N 3.3Å; S552-R555 PolarHBondContact OG-O 3.22Å; S552-H634 PolarHBondContact OG-CE1 3.23Å
553D97.2Very high97.8Very high133 Ų13353 Ų5371%0.71127%0.265SS*.THydrogen-bonded Turntrans55.637.5177.3-56.1-51.3000113.5L549 K550 R555L549-D553 PolarHBondContact O-N 3.14Å; K550-D553 PolarHBondContact O-N 3.37Å; D553-R555 PolarHBondContact O-N 3.47Å
554G97.2Very high97.8Very high46 Ų4652.1 Ų52.147%0.47426%0.263SS..THydrogen-bonded Turntrans78.62-177.500000114.5L549 S552L549-G554 WeakPolarHBondContact O-CA 3.4Å; L549-G554 PolarHBondContact O-N 3.4Å; S552-G554 VanDerWaalsContact C-N 3.26Å; S552-G554 PolarHBondContact O-N 2.98Å
555R98.7Very high97.8Very high52 Ų5243.8 Ų43.820%0.19622%0.224CC..  trans-93.7136.3179.9-57-177.9-66.8153.92.4111.6S552 D553 R557 P583 K585 E587S552-R555 WeakPolarHBondContact CB-O 3.45Å; S552-R555 VanDerWaalsContact O-CB 3.29Å; S552-R555 WeakPolarHBondContact O-CB 3.42Å; S552-R555 PolarHBondContact O-N 3.3Å; S552-R555 PolarHBondContact OG-O 3.22Å; D553-R555 PolarHBondContact O-N 3.47Å; R555-R557 PolarHBondContact O-N 3.43Å; R555-P583 WeakPolarHBondContact CD-O 3.16Å; R555-K585 CarbonylContact C-O 3.43Å; R555-K585 WeakPolarHBondContact CA-O 3.48Å; R555-E587 HydrophobicContact CB-CB 4.33Å; R555-E587 VanDerWaalsContact CZ-CD 3.47Å; R555-E587 IonicContact CZ-OE1 2.81Å; R555-E587 IonicContact CZ-OE2 2.73Å; R555-E587 IonicContact NH1-OE1 3.16Å; R555-E587 IonicContact NH2-OE1 2.85Å; R555-E587 PolarHBondContact NH2-OE1 2.65Å; R555-E587 IonicContact NH2-OE2 3.46Å; R555-E587 PolarHBondContact NH2-OE2 3.4Å; R555-E587 VanDerWaalsContact NH2-OE2 3.16Å
556L98.8Very high97.8Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-79.1112.5171.3-169.668.2000109.7L549 V558 K585 F586 E587 H634 I635 W1024L549-L556 HydrophobicContact CD2-CD1 3.79Å; L556-V558 HydrophobicContact CD2-CG2 4.44Å; L556-V558 HydrophobicContact CG-CG2 4.38Å; L556-V558 PolarHBondContact O-N 2.92Å; L556-K585 PolarHBondContact N-O 3.49Å; L556-F586 HydrophobicContact CB-CD1 4.07Å; L556-F586 HydrophobicContact CB-CE1 4.21Å; L556-F586 HydrophobicContact CD2-CD1 4.36Å; L556-F586 HydrophobicContact CD2-CE1 3.86Å; L556-F586 WeakPolarHBondContact O-CA 3.47Å; L556-E587 PolarHBondContact O-N 3.23Å; L556-H634 HydrophobicContact CD1-CB 3.47Å; L556-H634 VanDerWaalsContact CD1-CB 3.47Å; L556-H634 HydrophobicContact CG-CB 4.33Å; L556-I635 HydrophobicContact CD2-CD1 3.83Å; L556-I635 HydrophobicContact CD2-CG1 4.42Å; L556-W1024 HydrophobicContact CD1-CB 3.8Å; L556-W1024 HydrophobicContact CD1-CD2 3.67Å; L556-W1024 HydrophobicContact CD1-CE3 4.07Å; L556-W1024 HydrophobicContact CD1-CG 3.51Å; L556-W1024 HydrophobicContact CD2-CB 4.14Å
557R98.9Very high97.8Very high48 Ų4843.9 Ų43.918%0.18123%0.226CC..EExtended strand (participates in β ladder)trans-75.2115.9173.6-59.2-174.2169.8149.310.7111.4L551 R555 E587 F589 D631 G632 I633 H634 I635L551-R557 PolarHBondContact O-NH2 3.48Å; R555-R557 PolarHBondContact O-N 3.43Å; R557-E587 VanDerWaalsContact CA-O 3.29Å; R557-E587 WeakPolarHBondContact CA-O 3.41Å; R557-E587 HydrophobicContact CG-CB 4.15Å; R557-E587 IonicContact CZ-OE2 3.69Å; R557-E587 IonicContact NE-OE2 3.13Å; R557-E587 PolarHBondContact NE-OE2 3.47Å; R557-E587 IonicContact NH2-OE2 3.51Å; R557-F589 HydrophobicContact CB-CD2 4.29Å; R557-F589 HydrophobicContact CB-CE2 3.91Å; R557-F589 HydrophobicContact CG-CE2 3.82Å; R557-D631 WeakPolarHBondContact CD-O 3.46Å; R557-D631 PolarHBondContact NH1-O 3.02Å; R557-G632 WeakPolarHBondContact CD-O 3.37Å; R557-I633 HydrophobicContact CB-CD1 4.15Å; R557-H634 VanDerWaalsContact CB-ND1 3.34Å; R557-H634 WeakPolarHBondContact CB-ND1 3.45Å; R557-H634 PolarHBondContact N-ND1 2.98Å; R557-H634 PolarHBondContact O-N 2.89Å; R557-I635 PolarHBondContact O-N 3.39Å
558V99Very high97.9Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-112.9125.8178.7-178.70000109.2L556 Y560 F586 E587 F589 I635 V637 Y1020L556-V558 HydrophobicContact CD2-CG2 4.44Å; L556-V558 HydrophobicContact CG-CG2 4.38Å; L556-V558 PolarHBondContact O-N 2.92Å; V558-Y560 HydrophobicContact CG1-CD2 4.46Å; V558-Y560 HydrophobicContact CG1-CE1 4.4Å; V558-Y560 HydrophobicContact CG1-CE2 3.98Å; V558-F586 HydrophobicContact CG2-CD1 4.03Å; V558-E587 PolarHBondContact N-O 3.45Å; V558-F589 PolarHBondContact O-N 3.21Å; V558-I635 CarbonylContact C-O 3.59Å; V558-I635 WeakPolarHBondContact CA-O 3.45Å; V558-I635 HydrophobicContact CG2-CB 4.5Å; V558-V637 HydrophobicContact CG1-CG2 3.98Å; V558-Y1020 HydrophobicContact CG1-CD2 4.42Å; V558-Y1020 HydrophobicContact CG1-CE2 3.86Å; V558-Y1020 HydrophobicContact CG2-CD2 3.98Å; V558-Y1020 HydrophobicContact CG2-CE2 4.24Å
559G98.9Very high97.9Very high0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-108.6112.4179.100000112.1F589 I635 L636 V637G559-F589 CarbonylContact C-O 3.57Å; G559-F589 VanDerWaalsContact CA-O 3.29Å; G559-F589 WeakPolarHBondContact CA-O 3.5Å; G559-I635 PolarHBondContact N-O 3.4Å; G559-L636 CarbonylContact O-C 3.6Å; G559-V637 PolarHBondContact O-N 3.44Å
560Y99Very high97.9Very high0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-89.6115.3172.7-64.9-76.2000110.3V558 H581 V588 F589 Y591 V637 M639 W662 Y1020V558-Y560 HydrophobicContact CG1-CD2 4.46Å; V558-Y560 HydrophobicContact CG1-CE1 4.4Å; V558-Y560 HydrophobicContact CG1-CE2 3.98Å; Y560-H581 AromaticContact CE2-NE2 3.77Å; Y560-H581 AromaticContact CZ-NE2 3.67Å; Y560-H581 PolarHBondContact OH-NE2 3.29Å; Y560-V588 HydrophobicContact CD2-CG1 3.83Å; Y560-V588 HydrophobicContact CE2-CG1 3.85Å; Y560-F589 PolarHBondContact N-O 2.98Å; Y560-Y591 PolarHBondContact O-N 3.41Å; Y560-V637 HydrophobicContact CD1-CB 3.81Å; Y560-V637 HydrophobicContact CD1-CG1 3.96Å; Y560-V637 HydrophobicContact CD1-CG2 4.11Å; Y560-V637 HydrophobicContact CE1-CB 4.22Å; Y560-V637 HydrophobicContact CE1-CG1 4.2Å; Y560-V637 HydrophobicContact CE1-CG2 4.08Å; Y560-M639 HydrophobicContact CD1-SD 3.84Å; Y560-M639 HydrophobicContact CG-SD 4.28Å; Y560-W662 AromaticContact CD1-CE3 3.94Å; Y560-W662 HydrophobicContact CD1-CE3 3.94Å; Y560-W662 AromaticContact CD1-CZ3 3.73Å; Y560-W662 HydrophobicContact CD1-CZ3 3.73Å; Y560-W662 AromaticContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CH2 4.27Å; Y560-W662 AromaticContact CE1-CZ3 3.43Å; Y560-W662 HydrophobicContact CE1-CZ3 3.43Å; Y560-W662 VanDerWaalsContact CE1-CZ3 3.43Å; Y560-Y1020 WeakPolarHBondContact CE1-OH 3.42Å; Y560-Y1020 PolarHBondContact OH-OH 3.4Å
561V98.9Very high98Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-104.3120.2179.5-169.60000109.5Y591 L593 L636 V637 M639 L650 F651V561-Y591 WeakPolarHBondContact CA-O 3.49Å; V561-Y591 HydrophobicContact CG2-CD2 4.09Å; V561-Y591 HydrophobicContact CG2-CG 4.43Å; V561-L593 HydrophobicContact CG1-CD1 3.98Å; V561-L593 HydrophobicContact CG1-CD2 3.69Å; V561-L593 HydrophobicContact CG1-CG 3.9Å; V561-L636 HydrophobicContact CG2-CD1 3.54Å; V561-L636 HydrophobicContact CG2-CD2 4.27Å; V561-L636 HydrophobicContact CG2-CG 3.8Å; V561-V637 PolarHBondContact N-O 3.26Å; V561-M639 WeakPolarHBondContact O-CB 3.39Å; V561-M639 PolarHBondContact O-N 3.25Å; V561-M639 VanDerWaalsContact O-N 3.14Å; V561-L650 HydrophobicContact CG1-CD1 4.46Å; V561-F651 HydrophobicContact CB-CE2 3.93Å; V561-F651 HydrophobicContact CB-CZ 3.68Å; V561-F651 HydrophobicContact CG1-CE2 4.04Å; V561-F651 HydrophobicContact CG1-CZ 4.31Å; V561-F651 HydrophobicContact CG2-CE1 4.48Å; V561-F651 HydrophobicContact CG2-CE2 4.11Å; V561-F651 HydrophobicContact CG2-CZ 3.6Å
562S98.8Very high98.2Very high0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans-150.5140.3-178.7-166.50000112.9D564 Y591 A592 L593 N640S562-D564 WeakPolarHBondContact OG-CB 3.26Å; S562-D564 PolarHBondContact OG-N 3.04Å; S562-Y591 PolarHBondContact N-O 3.35Å; S562-A592 CarbonylContact O-C 3.6Å; S562-A592 WeakPolarHBondContact O-CA 3.4Å; S562-L593 PolarHBondContact O-N 3.49Å; S562-N640 VanDerWaalsContact CA-OD1 3.3Å; S562-N640 WeakPolarHBondContact CA-OD1 3.46Å
563S98.2Very high98.2Very high14 Ų1425.5 Ų25.510%0.09814%0.142CC..SBendtrans-77.7-1.8161.260.10000113.6S594 N640 K644S563-S594 WeakPolarHBondContact O-CB 3.38Å; S563-S594 PolarHBondContact O-OG 3.27Å; S563-N640 PolarHBondContact N-OD1 3.4Å; S563-N640 VanDerWaalsContact N-OD1 3.15Å; S563-N640 PolarHBondContact OG-ND2 3.29Å; S563-K644 PolarHBondContact OG-O 2.92Å
564D98.4Very high98.3Very high12 Ų1219.1 Ų19.16%0.06411%0.108CC..  trans-114.710.7-161.5-57.1-17000113.1S562 G566 H568 T570 S571S562-D564 WeakPolarHBondContact OG-CB 3.26Å; S562-D564 PolarHBondContact OG-N 3.04Å; D564-G566 PolarHBondContact O-N 3.4Å; D564-H568 HydrophobicContact CB-CB 3.85Å; D564-H568 WeakPolarHBondContact CB-ND1 3.48Å; D564-H568 VanDerWaalsContact CG-CE1 3.47Å; D564-H568 IonicContact OD1-CE1 2.86Å; D564-H568 IonicContact OD1-ND1 3.88Å; D564-H568 IonicContact OD2-CE1 3.6Å; D564-H568 PolarHBondContact OD2-CE1 3.38Å; D564-H568 IonicContact OD2-ND1 3.27Å; D564-H568 PolarHBondContact OD2-ND1 3.14Å; D564-H568 VanDerWaalsContact OD2-ND1 3.13Å; D564-T570 HydrophobicContact CB-CG2 4.18Å; D564-T570 PolarHBondContact OD2-OG1 3.49Å; D564-S571 PolarHBondContact O-OG 3Å
565F98.6Very high98.4Very high0 Ų017.3 Ų17.30%09%0.087CC..SBendtrans-6980.2169.1-62-46.6000110.4M574 C590 A592 R602 V605 F612 M639F565-M574 HydrophobicContact CE1-CE 4Å; F565-M574 HydrophobicContact CE1-SD 4.16Å; F565-C590 HydrophobicContact CE2-CB 3.96Å; F565-C590 HydrophobicContact CZ-CB 4.11Å; F565-A592 HydrophobicContact CD2-CB 4.08Å; F565-R602 WeakPolarHBondContact O-CD 3.33Å; F565-R602 PolarHBondContact O-NH1 2.85Å; F565-V605 HydrophobicContact CD1-CG1 3.97Å; F565-V605 HydrophobicContact CD1-CG2 4.35Å; F565-V605 HydrophobicContact CE1-CG1 4.18Å; F565-V605 HydrophobicContact CG-CG1 4.35Å; F565-F612 HydrophobicContact CB-CZ 4.39Å; F565-F612 HydrophobicContact CD2-CE2 4.26Å; F565-F612 HydrophobicContact CD2-CZ 4.27Å; F565-F612 HydrophobicContact CG-CE2 4.48Å; F565-M639 HydrophobicContact CE1-SD 4.48Å; F565-M639 HydrophobicContact CZ-SD 4.38Å
566G97.5Very high98.4Very high5 Ų515 Ų155%0.0528%0.079CC..SBendtrans176.8-157.6-177.700000110.2D564 H568 S571 D597 F601D564-G566 PolarHBondContact O-N 3.4Å; G566-H568 PolarHBondContact O-N 3.2Å; G566-S571 PolarHBondContact N-OG 3.22Å; G566-S571 WeakPolarHBondContact O-CB 3.31Å; G566-S571 PolarHBondContact O-OG 2.92Å; G566-D597 WeakPolarHBondContact CA-OD2 3.5Å; G566-F601 WeakPolarHBondContact O-CB 3.42Å
567N97.3Very high98.4Very high73 Ų7315 Ų1539%0.398%0.079SC..SBendtrans-75.972.5175.7-174.318.1000112.1H572 D597 T599 F601N567-H572 PolarHBondContact OD1-CE1 3.13Å; N567-H572 VanDerWaalsContact OD1-CE1 3.31Å; N567-H572 PolarHBondContact OD1-NE2 3.4Å; N567-D597 PolarHBondContact N-OD2 2.93Å; N567-T599 HydrophobicContact CB-CG2 3.82Å; N567-T599 PolarHBondContact N-OG1 3.29Å; N567-F601 HydrophobicContact CB-CD2 3.78Å; N567-F601 HydrophobicContact CB-CE2 3.92Å
568H97.2Very high98.4Very high77 Ų7712.8 Ų12.836%0.3567%0.071SC..SBendtrans-134.9150.5178.2-170.4-96.1000109.7D564 G566 T570 S571 H572D564-H568 HydrophobicContact CB-CB 3.85Å; D564-H568 WeakPolarHBondContact CB-ND1 3.48Å; D564-H568 VanDerWaalsContact CG-CE1 3.47Å; D564-H568 IonicContact OD1-CE1 2.86Å; D564-H568 IonicContact OD1-ND1 3.88Å; D564-H568 IonicContact OD2-CE1 3.6Å; D564-H568 PolarHBondContact OD2-CE1 3.38Å; D564-H568 IonicContact OD2-ND1 3.27Å; D564-H568 PolarHBondContact OD2-ND1 3.14Å; D564-H568 VanDerWaalsContact OD2-ND1 3.13Å; G566-H568 PolarHBondContact O-N 3.2Å; H568-T570 PolarHBondContact ND1-N 3.07Å; H568-T570 PolarHBondContact ND1-OG1 3.16Å; H568-T570 PolarHBondContact O-N 3.48Å; H568-S571 PolarHBondContact O-N 3.36Å; H568-H572 PolarHBondContact O-CD2 3.48Å; H568-H572 PolarHBondContact O-N 3.4Å
569P96.6Very high98.3Very high54 Ų5414.6 Ų14.635%0.3519%0.09SC..Hα-helixtrans-45.8-41177-3437.5000114.3S571 H572 L573 T931P569-S571 PolarHBondContact O-N 2.54Å; P569-H572 WeakPolarHBondContact O-CA 3.31Å; P569-H572 WeakPolarHBondContact O-CB 3.36Å; P569-H572 PolarHBondContact O-N 2.92Å; P569-L573 VanDerWaalsContact O-CG 3.31Å; P569-L573 WeakPolarHBondContact O-CG 3.42Å; P569-L573 PolarHBondContact O-N 2.89Å; P569-L573 VanDerWaalsContact O-N 3.11Å; P569-T931 HydrophobicContact CB-CG2 4.26Å
570T98.1Very high98.3Very high6 Ų617 Ų174%0.03710%0.101CC..Hα-helixtrans-51.9-51.3176.8-48.10000112.1D564 H568 H572 L573 M574 M639D564-T570 HydrophobicContact CB-CG2 4.18Å; D564-T570 PolarHBondContact OD2-OG1 3.49Å; H568-T570 PolarHBondContact ND1-N 3.07Å; H568-T570 PolarHBondContact ND1-OG1 3.16Å; H568-T570 PolarHBondContact O-N 3.48Å; T570-H572 PolarHBondContact O-N 3.37Å; T570-L573 WeakPolarHBondContact O-CB 3.5Å; T570-L573 PolarHBondContact O-N 3.18Å; T570-L573 VanDerWaalsContact O-N 3.13Å; T570-M574 HydrophobicContact CG2-CG 4.42Å; T570-M574 WeakPolarHBondContact O-CG 3.35Å; T570-M574 PolarHBondContact O-N 2.88Å; T570-M574 VanDerWaalsContact O-N 3.1Å; T570-M639 HydrophobicContact CG2-CE 3.43Å; T570-M639 VanDerWaalsContact CG2-CE 3.43Å
571S98.6Very high98.3Very high0 Ų017.6 Ų17.60%010%0.104CC..Hα-helixtrans-64.1-37.9175.4-64.40000113D564 G566 H568 P569 L573 M574 Q575D564-S571 PolarHBondContact O-OG 3Å; G566-S571 PolarHBondContact N-OG 3.22Å; G566-S571 WeakPolarHBondContact O-CB 3.31Å; G566-S571 PolarHBondContact O-OG 2.92Å; H568-S571 PolarHBondContact O-N 3.36Å; P569-S571 PolarHBondContact O-N 2.54Å; S571-L573 PolarHBondContact O-N 3.48Å; S571-L573 VanDerWaalsContact O-N 3.09Å; S571-M574 PolarHBondContact O-N 3.32Å; S571-Q575 WeakPolarHBondContact O-CB 3.38Å; S571-Q575 VanDerWaalsContact O-CG 3.3Å; S571-Q575 WeakPolarHBondContact O-CG 3.29Å; S571-Q575 PolarHBondContact O-N 3.4Å
572H98.5Very high98.3Very high9 Ų919.9 Ų19.94%0.04212%0.117CC..Hα-helixtrans-61.9-18.8177.2-52.2166.5000112.4N567 H568 P569 T570 F601 D707 M711 K908N567-H572 PolarHBondContact OD1-CE1 3.13Å; N567-H572 VanDerWaalsContact OD1-CE1 3.31Å; N567-H572 PolarHBondContact OD1-NE2 3.4Å; H568-H572 PolarHBondContact O-CD2 3.48Å; H568-H572 PolarHBondContact O-N 3.4Å; P569-H572 WeakPolarHBondContact O-CA 3.31Å; P569-H572 WeakPolarHBondContact O-CB 3.36Å; P569-H572 PolarHBondContact O-N 2.92Å; T570-H572 PolarHBondContact O-N 3.37Å; H572-F601 AromaticContact CD2-CE1 3.65Å; H572-F601 AromaticContact CD2-CZ 3.64Å; H572-F601 AromaticContact NE2-CE2 3.72Å; H572-F601 AromaticContact NE2-CZ 3.63Å; H572-D707 VanDerWaalsContact O-CB 3.3Å; H572-D707 WeakPolarHBondContact O-CB 3.09Å; H572-D707 PolarHBondContact O-N 3.22Å; H572-D707 VanDerWaalsContact O-N 3.16Å; H572-M711 HydrophobicContact CB-CE 4.35Å; H572-M711 HydrophobicContact CB-SD 4.02Å; H572-K908 WeakPolarHBondContact ND1-CE 3.38Å
573L98.7Very high98.3Very high6 Ų623.3 Ų23.33%0.03114%0.139CC..Hα-helixtrans-92.6-46.5176.6-59.7173.5000112.4P569 T570 S571 L663 F704 I705 G706 D707 T931 M934P569-L573 VanDerWaalsContact O-CG 3.31Å; P569-L573 WeakPolarHBondContact O-CG 3.42Å; P569-L573 PolarHBondContact O-N 2.89Å; P569-L573 VanDerWaalsContact O-N 3.11Å; T570-L573 WeakPolarHBondContact O-CB 3.5Å; T570-L573 PolarHBondContact O-N 3.18Å; T570-L573 VanDerWaalsContact O-N 3.13Å; S571-L573 PolarHBondContact O-N 3.48Å; S571-L573 VanDerWaalsContact O-N 3.09Å; L573-L663 HydrophobicContact CB-CD2 4.04Å; L573-L663 HydrophobicContact CD1-CD1 4.06Å; L573-L663 HydrophobicContact CD1-CD2 4.41Å; L573-L663 HydrophobicContact CD1-CG 4.26Å; L573-F704 HydrophobicContact CD1-CE1 3.89Å; L573-F704 HydrophobicContact CD1-CE2 4.45Å; L573-F704 HydrophobicContact CD1-CZ 3.62Å; L573-F704 HydrophobicContact CD2-CE1 3.82Å; L573-F704 HydrophobicContact CD2-CZ 4.38Å; L573-I705 WeakPolarHBondContact CB-O 3.29Å; L573-I705 WeakPolarHBondContact CD2-O 3.46Å; L573-G706 CarbonylContact O-C 3.52Å; L573-D707 PolarHBondContact O-N 2.97Å; L573-T931 HydrophobicContact CD2-CG2 4.06Å; L573-M934 HydrophobicContact CD2-CG 4.47Å
574M98.6Very high98.3Very high0 Ų028.9 Ų28.90%017%0.167CC..Hα-helixtrans-122.26.3-165.763.962.175.600117F565 T570 S571 S576 I577 P578 M639 W662 L663F565-M574 HydrophobicContact CE1-CE 4Å; F565-M574 HydrophobicContact CE1-SD 4.16Å; T570-M574 HydrophobicContact CG2-CG 4.42Å; T570-M574 WeakPolarHBondContact O-CG 3.35Å; T570-M574 PolarHBondContact O-N 2.88Å; T570-M574 VanDerWaalsContact O-N 3.1Å; S571-M574 PolarHBondContact O-N 3.32Å; M574-S576 PolarHBondContact O-N 2.99Å; M574-I577 HydrophobicContact CB-CB 4.43Å; M574-I577 HydrophobicContact CB-CG1 3.83Å; M574-I577 WeakPolarHBondContact O-CB 3.26Å; M574-I577 WeakPolarHBondContact O-CG1 3.48Å; M574-I577 PolarHBondContact O-N 3.2Å; M574-P578 HydrophobicContact CE-CG 4.01Å; M574-P578 VanDerWaalsContact O-CD 3.3Å; M574-P578 WeakPolarHBondContact O-CD 3.03Å; M574-M639 HydrophobicContact CE-CE 3.64Å; M574-M639 HydrophobicContact CE-SD 4.07Å; M574-M639 HydrophobicContact CG-CE 3.47Å; M574-M639 VanDerWaalsContact CG-CE 3.47Å; M574-M639 HydrophobicContact SD-CE 3.67Å; M574-W662 HydrophobicContact CB-CH2 3.75Å; M574-W662 HydrophobicContact CB-CZ2 4.49Å; M574-W662 HydrophobicContact CB-CZ3 4.38Å; M574-W662 HydrophobicContact CE-CH2 4.37Å; M574-W662 HydrophobicContact CE-CZ3 4.05Å; M574-W662 HydrophobicContact CG-CH2 4.1Å; M574-W662 HydrophobicContact CG-CZ3 4.25Å; M574-L663 HydrophobicContact CB-CD2 3.8Å; M574-L663 HydrophobicContact CG-CD2 3.72Å
575Q98.6Very high98.3Very high8 Ų833.3 Ų33.34%0.03719%0.186CC..THydrogen-bonded Turntrans-56-23.7-175.463.1176.8-3600115.1S571 F601 K604 V605 D707 M711S571-Q575 WeakPolarHBondContact O-CB 3.38Å; S571-Q575 VanDerWaalsContact O-CG 3.3Å; S571-Q575 WeakPolarHBondContact O-CG 3.29Å; S571-Q575 PolarHBondContact O-N 3.4Å; Q575-F601 VanDerWaalsContact OE1-CD1 3.29Å; Q575-K604 HydrophobicContact CB-CD 4.32Å; Q575-K604 HydrophobicContact CG-CD 4.06Å; Q575-K604 WeakPolarHBondContact O-CE 3.27Å; Q575-V605 HydrophobicContact CB-CG2 4.13Å; Q575-D707 VanDerWaalsContact CD-OD2 3.26Å; Q575-D707 HydrophobicContact CG-CB 4.12Å; Q575-D707 WeakPolarHBondContact CG-OD2 3.43Å; Q575-D707 PolarHBondContact NE2-OD2 2.97Å; Q575-M711 VanDerWaalsContact NE2-CG 3.27Å; Q575-M711 PolarHBondContact NE2-SD 2.75Å; Q575-M711 VanDerWaalsContact NE2-SD 3.42Å
576S98.7Very high98.3Very high2 Ų233.4 Ų33.41%0.01419%0.186CC..THydrogen-bonded Turntrans-87-15.3177-650000114.1M574 G579 M580 K604 D707M574-S576 PolarHBondContact O-N 2.99Å; S576-G579 PolarHBondContact O-N 2.98Å; S576-M580 WeakPolarHBondContact O-CB 3.28Å; S576-M580 VanDerWaalsContact O-CG 3.22Å; S576-M580 WeakPolarHBondContact O-CG 3.49Å; S576-M580 PolarHBondContact O-N 2.9Å; S576-K604 VanDerWaalsContact OG-CE 3.24Å; S576-K604 WeakPolarHBondContact OG-CE 3.33Å; S576-D707 WeakPolarHBondContact CB-OD1 3.34Å; S576-D707 PolarHBondContact OG-OD1 3.41Å; S576-D707 PolarHBondContact OG-OD2 3.01Å
577I98.8Very high98.4Very high0 Ų033.9 Ų33.90%019%0.187CC..Hα-helixtrans-63.7-46.1-176.3-55.9-59.9000111.8M574 G579 M580 H581 W662 I705 T1009 Y1012 T1013 L1016M574-I577 HydrophobicContact CB-CB 4.43Å; M574-I577 HydrophobicContact CB-CG1 3.83Å; M574-I577 WeakPolarHBondContact O-CB 3.26Å; M574-I577 WeakPolarHBondContact O-CG1 3.48Å; M574-I577 PolarHBondContact O-N 3.2Å; I577-G579 VanDerWaalsContact C-N 3.31Å; I577-G579 PolarHBondContact O-N 3.26Å; I577-M580 PolarHBondContact O-N 3.45Å; I577-H581 PolarHBondContact O-CD2 3.42Å; I577-H581 PolarHBondContact O-N 3.13Å; I577-W662 HydrophobicContact CG1-CH2 4.39Å; I577-W662 HydrophobicContact CG2-CH2 4.32Å; I577-I705 HydrophobicContact CD1-CG1 4.45Å; I577-T1009 HydrophobicContact CD1-CG2 4.38Å; I577-Y1012 HydrophobicContact CD1-CD1 3.91Å; I577-T1013 VanDerWaalsContact CD1-OG1 3.23Å; I577-T1013 WeakPolarHBondContact CD1-OG1 3.35Å; I577-T1013 HydrophobicContact CG2-CG2 4.2Å; I577-L1016 HydrophobicContact CG2-CD2 4.24Å
578P98.7Very high98.4Very high3 Ų330.4 Ų30.42%0.01917%0.169CC..Hα-helixtrans-54-43.6178.4-29.237.8000113.9M574 M580 V588 V605 A609M574-P578 HydrophobicContact CE-CG 4.01Å; M574-P578 VanDerWaalsContact O-CD 3.3Å; M574-P578 WeakPolarHBondContact O-CD 3.03Å; P578-M580 VanDerWaalsContact C-N 3.31Å; P578-M580 PolarHBondContact O-N 3.13Å; P578-V588 HydrophobicContact CB-CG1 4.08Å; P578-V605 HydrophobicContact CG-CG1 4.29Å; P578-A609 HydrophobicContact CB-CB 4.31Å
579G98.4Very high98.5Very high38 Ų3827 Ų2739%0.39215%0.153SC..Hα-helixtrans-77.6-10.9179.100000115.4S576 I577S576-G579 PolarHBondContact O-N 2.98Å; I577-G579 VanDerWaalsContact C-N 3.31Å; I577-G579 PolarHBondContact O-N 3.26Å
580M98.7Very high98.6Very high50 Ų5024.4 Ų24.425%0.24614%0.136CC..Hα-helixtrans-96.3-8.7-178.9-77.1-176.9178.300113.6S576 I577 P578 T1009 K1010 T1013S576-M580 WeakPolarHBondContact O-CB 3.28Å; S576-M580 VanDerWaalsContact O-CG 3.22Å; S576-M580 WeakPolarHBondContact O-CG 3.49Å; S576-M580 PolarHBondContact O-N 2.9Å; I577-M580 PolarHBondContact O-N 3.45Å; P578-M580 VanDerWaalsContact C-N 3.31Å; P578-M580 PolarHBondContact O-N 3.13Å; M580-T1009 WeakPolarHBondContact CE-OG1 3.15Å; M580-T1009 VanDerWaalsContact SD-C 3.58Å; M580-T1009 PolarHBondContact SD-OG1 3.17Å; M580-K1010 HydrophobicContact CB-CD 4.21Å; M580-K1010 HydrophobicContact CG-CD 4.3Å; M580-K1010 PolarHBondContact O-NZ 2.92Å; M580-K1010 HydrophobicContact SD-CB 4.02Å; M580-K1010 HydrophobicContact SD-CD 4.41Å; M580-K1010 PolarHBondContact SD-N 3.25Å; M580-T1013 HydrophobicContact CB-CG2 4.01Å
581H98.8Very high98.7Very high12 Ų1224.1 Ų24.16%0.05613%0.134CC..SBendtrans-61143.3174.8-87.8-65.6000111.8Y560 I577 P583 F586 V588 E1017Y560-H581 AromaticContact CE2-NE2 3.77Å; Y560-H581 AromaticContact CZ-NE2 3.67Å; Y560-H581 PolarHBondContact OH-NE2 3.29Å; I577-H581 PolarHBondContact O-CD2 3.42Å; I577-H581 PolarHBondContact O-N 3.13Å; H581-P583 VanDerWaalsContact O-CD 3.22Å; H581-P583 WeakPolarHBondContact O-CD 3.34Å; H581-F586 HydrophobicContact CB-CB 4.26Å; H581-V588 HydrophobicContact CB-CG2 3.56Å; H581-V588 WeakPolarHBondContact CD2-CG2 3.46Å; H581-E1017 WeakPolarHBondContact CA-OE1 3.48Å; H581-E1017 IonicContact CG-OE1 2.65Å; H581-E1017 VanDerWaalsContact ND1-CG 3.31Å; H581-E1017 WeakPolarHBondContact ND1-CG 3.36Å; H581-E1017 IonicContact ND1-OE1 2.63Å; H581-E1017 PolarHBondContact ND1-OE1 3.5Å
582N98.6Very high98.7Very high49 Ų4924.1 Ų24.126%0.26213%0.134SC..  trans-73.3108.7175.5179.26.6000110D584 K585 F586 E1017N582-D584 PolarHBondContact O-N 3.3Å; N582-D584 VanDerWaalsContact O-N 3.11Å; N582-D584 WeakPolarHBondContact OD1-CB 3.33Å; N582-D584 PolarHBondContact OD1-N 3.27Å; N582-D584 VanDerWaalsContact OD1-N 3.1Å; N582-K585 PolarHBondContact O-N 3.34Å; N582-K585 VanDerWaalsContact O-N 3.09Å; N582-F586 HydrophobicContact CB-CD2 4.39Å; N582-F586 PolarHBondContact O-N 3.35Å; N582-E1017 PolarHBondContact N-OE1 2.99Å
583P98.1Very high98.7Very high72 Ų7224.6 Ų24.647%0.46814%0.137SC..THydrogen-bonded Turntrans-65.8-17.4-176.129.7-36.7000113.4R555 H581 K585 F586R555-P583 WeakPolarHBondContact CD-O 3.16Å; H581-P583 VanDerWaalsContact O-CD 3.22Å; H581-P583 WeakPolarHBondContact O-CD 3.34Å; P583-K585 VanDerWaalsContact C-N 3.29Å; P583-F586 WeakPolarHBondContact CA-O 3.49Å
584D98.3Very high98.5Very high130 Ų13025.5 Ų25.570%0.69514%0.144SC*.THydrogen-bonded Turntrans-72.7-25177.3-62.7-18.4000112.2N582N582-D584 PolarHBondContact O-N 3.3Å; N582-D584 VanDerWaalsContact O-N 3.11Å; N582-D584 WeakPolarHBondContact OD1-CB 3.33Å; N582-D584 PolarHBondContact OD1-N 3.27Å; N582-D584 VanDerWaalsContact OD1-N 3.1Å
585K98.5Very high98.4Very high106 Ų10629.4 Ų29.446%0.46117%0.169SC..THydrogen-bonded Turntrans-120.1-18.3-177.1-67.9-167.1178.1-172.60113.7R555 L556 N582 P583R555-K585 CarbonylContact C-O 3.43Å; R555-K585 WeakPolarHBondContact CA-O 3.48Å; L556-K585 PolarHBondContact N-O 3.49Å; N582-K585 PolarHBondContact O-N 3.34Å; N582-K585 VanDerWaalsContact O-N 3.09Å; P583-K585 VanDerWaalsContact C-N 3.29Å
586F98.8Very high98.4Very high1 Ų132.8 Ų32.80%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-130.2146.5-175.2-63.3-92.2000110.9L556 V558 H581 N582 P583 E1017 Y1020 L1021L556-F586 HydrophobicContact CB-CD1 4.07Å; L556-F586 HydrophobicContact CB-CE1 4.21Å; L556-F586 HydrophobicContact CD2-CD1 4.36Å; L556-F586 HydrophobicContact CD2-CE1 3.86Å; L556-F586 WeakPolarHBondContact O-CA 3.47Å; V558-F586 HydrophobicContact CG2-CD1 4.03Å; H581-F586 HydrophobicContact CB-CB 4.26Å; N582-F586 HydrophobicContact CB-CD2 4.39Å; N582-F586 PolarHBondContact O-N 3.35Å; P583-F586 WeakPolarHBondContact CA-O 3.49Å; F586-E1017 HydrophobicContact CD1-CG 4.38Å; F586-E1017 HydrophobicContact CD2-CB 4.39Å; F586-E1017 HydrophobicContact CD2-CG 3.75Å; F586-E1017 WeakPolarHBondContact CD2-OE1 3.45Å; F586-E1017 HydrophobicContact CE1-CB 4.17Å; F586-E1017 HydrophobicContact CE1-CG 4Å; F586-E1017 HydrophobicContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CD 3.47Å; F586-E1017 HydrophobicContact CE2-CG 3.35Å; F586-E1017 HydrophobicContact CG-CG 4.27Å; F586-E1017 HydrophobicContact CZ-CB 3.37Å; F586-E1017 HydrophobicContact CZ-CG 3.49Å; F586-E1017 VanDerWaalsContact CZ-CG 3.49Å; F586-E1017 WeakPolarHBondContact CZ-O 3.5Å; F586-Y1020 HydrophobicContact CE1-CD2 4.26Å; F586-L1021 HydrophobicContact CZ-CD1 4.12Å; F586-L1021 HydrophobicContact CZ-CD2 4.31Å; F586-L1021 HydrophobicContact CZ-CG 3.88Å
587E98.8Very high98.3Very high15 Ų1536.5 Ų36.57%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-127.9116.5169.1-175.9175.1-142.800108.1R555 L556 R557 V558 F589 N610 H611R555-E587 HydrophobicContact CB-CB 4.33Å; R555-E587 VanDerWaalsContact CZ-CD 3.47Å; R555-E587 IonicContact CZ-OE1 2.81Å; R555-E587 IonicContact CZ-OE2 2.73Å; R555-E587 IonicContact NH1-OE1 3.16Å; R555-E587 IonicContact NH2-OE1 2.85Å; R555-E587 PolarHBondContact NH2-OE1 2.65Å; R555-E587 IonicContact NH2-OE2 3.46Å; R555-E587 PolarHBondContact NH2-OE2 3.4Å; R555-E587 VanDerWaalsContact NH2-OE2 3.16Å; L556-E587 PolarHBondContact O-N 3.23Å; R557-E587 VanDerWaalsContact CA-O 3.29Å; R557-E587 WeakPolarHBondContact CA-O 3.41Å; R557-E587 HydrophobicContact CG-CB 4.15Å; R557-E587 IonicContact CZ-OE2 3.69Å; R557-E587 IonicContact NE-OE2 3.13Å; R557-E587 PolarHBondContact NE-OE2 3.47Å; R557-E587 IonicContact NH2-OE2 3.51Å; V558-E587 PolarHBondContact N-O 3.45Å; E587-F589 HydrophobicContact CB-CE2 4.29Å; E587-F589 HydrophobicContact CG-CD2 4.43Å; E587-F589 HydrophobicContact CG-CE2 3.63Å; E587-F589 HydrophobicContact CG-CZ 4.18Å; E587-N610 WeakPolarHBondContact CA-OD1 3.49Å; E587-N610 HydrophobicContact CG-CB 4.19Å; E587-H611 IonicContact OE1-CD2 3.15Å; E587-H611 IonicContact OE1-CE1 3.15Å; E587-H611 IonicContact OE1-NE2 2.66Å; E587-H611 PolarHBondContact OE1-NE2 3.11Å
588V98.9Very high98.3Very high0 Ų039 Ų390%023%0.233CC..EExtended strand (participates in β ladder)trans-98.3126.7-168.2-177.20000111.1Y560 P578 H581 A609 N610 H611Y560-V588 HydrophobicContact CD2-CG1 3.83Å; Y560-V588 HydrophobicContact CE2-CG1 3.85Å; P578-V588 HydrophobicContact CB-CG1 4.08Å; H581-V588 HydrophobicContact CB-CG2 3.56Å; H581-V588 WeakPolarHBondContact CD2-CG2 3.46Å; V588-A609 HydrophobicContact CG1-CB 4.46Å; V588-N610 PolarHBondContact N-OD1 3.48Å; V588-N610 WeakPolarHBondContact O-CB 3.3Å; V588-N610 PolarHBondContact O-N 3.12Å; V588-N610 VanDerWaalsContact O-N 3.16Å; V588-H611 PolarHBondContact O-N 3.35Å
589F98.9Very high98.2Very high6 Ų639.5 Ų39.53%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-113.9128.9173.2-64.8-107.2000108.9R557 V558 G559 Y560 E587 Y591 H611 I613 D631 I633R557-F589 HydrophobicContact CB-CD2 4.29Å; R557-F589 HydrophobicContact CB-CE2 3.91Å; R557-F589 HydrophobicContact CG-CE2 3.82Å; V558-F589 PolarHBondContact O-N 3.21Å; G559-F589 CarbonylContact C-O 3.57Å; G559-F589 VanDerWaalsContact CA-O 3.29Å; G559-F589 WeakPolarHBondContact CA-O 3.5Å; Y560-F589 PolarHBondContact N-O 2.98Å; E587-F589 HydrophobicContact CB-CE2 4.29Å; E587-F589 HydrophobicContact CG-CD2 4.43Å; E587-F589 HydrophobicContact CG-CE2 3.63Å; E587-F589 HydrophobicContact CG-CZ 4.18Å; F589-Y591 HydrophobicContact CB-CD2 4.41Å; F589-Y591 HydrophobicContact CB-CE2 3.67Å; F589-H611 CarbonylContact C-O 3.58Å; F589-H611 WeakPolarHBondContact CA-O 3.3Å; F589-H611 HydrophobicContact CD1-CB 3.46Å; F589-H611 VanDerWaalsContact CD1-CB 3.46Å; F589-H611 AromaticContact CD1-CD2 3.86Å; F589-H611 AromaticContact CD1-CG 3.82Å; F589-H611 HydrophobicContact CE1-CB 3.68Å; F589-H611 AromaticContact CE1-CD2 3.34Å; F589-H611 WeakPolarHBondContact CE1-CD2 3.47Å; F589-H611 AromaticContact CE1-CG 3.49Å; F589-H611 VanDerWaalsContact CE1-CG 3.49Å; F589-H611 AromaticContact CE2-CD2 3.72Å; F589-H611 HydrophobicContact CG-CB 4.06Å; F589-H611 HydrophobicContact CZ-CB 4.46Å; F589-H611 AromaticContact CZ-CD2 3.26Å; F589-H611 WeakPolarHBondContact CZ-CD2 3.38Å; F589-H611 AromaticContact CZ-CG 3.92Å; F589-H611 AromaticContact CZ-NE2 3.74Å; F589-I613 HydrophobicContact CB-CD1 4.38Å; F589-I613 HydrophobicContact CD1-CD1 3.84Å; F589-D631 HydrophobicContact CD1-CB 3.95Å; F589-D631 HydrophobicContact CE1-CB 3.68Å; F589-D631 HydrophobicContact CZ-CB 4.32Å; F589-I633 HydrophobicContact CB-CD1 3.81Å; F589-I633 HydrophobicContact CD1-CD1 4.09Å; F589-I633 HydrophobicContact CD2-CD1 3.42Å; F589-I633 VanDerWaalsContact CD2-CD1 3.42Å; F589-I633 HydrophobicContact CE2-CD1 3.97Å; F589-I633 HydrophobicContact CG-CD1 3.51Å
590C98.9Very high98.3Very high0 Ų040 Ų400%023%0.23CC..EExtended strand (participates in β ladder)trans-110.5118.1171.8-74.10000109.7F565 V605 A609 H611 F612 I613F565-C590 HydrophobicContact CE2-CB 3.96Å; F565-C590 HydrophobicContact CZ-CB 4.11Å; C590-V605 HydrophobicContact CB-CG1 4.02Å; C590-A609 HydrophobicContact CB-CB 4.11Å; C590-H611 PolarHBondContact N-O 2.91Å; C590-F612 HydrophobicContact CB-CD2 3.6Å; C590-F612 HydrophobicContact CB-CE2 3.82Å; C590-F612 HydrophobicContact CB-CG 4.48Å; C590-I613 PolarHBondContact O-N 3.17Å
591Y98.9Very high98.2Very high0 Ų037.7 Ų37.70%022%0.219CC..EExtended strand (participates in β ladder)trans-104102.1179.7-64.6-77.2000110.1Y560 V561 S562 F589 I613 L615 I628 D631 I633 L636Y560-Y591 PolarHBondContact O-N 3.41Å; V561-Y591 WeakPolarHBondContact CA-O 3.49Å; V561-Y591 HydrophobicContact CG2-CD2 4.09Å; V561-Y591 HydrophobicContact CG2-CG 4.43Å; S562-Y591 PolarHBondContact N-O 3.35Å; F589-Y591 HydrophobicContact CB-CD2 4.41Å; F589-Y591 HydrophobicContact CB-CE2 3.67Å; Y591-I613 WeakPolarHBondContact CA-O 3.39Å; Y591-I613 HydrophobicContact CD1-CB 3.63Å; Y591-I613 HydrophobicContact CD1-CD1 4.2Å; Y591-I613 HydrophobicContact CD1-CG1 4.16Å; Y591-I613 HydrophobicContact CD1-CG2 3.92Å; Y591-I613 HydrophobicContact CE1-CB 3.84Å; Y591-I613 HydrophobicContact CE1-CD1 3.77Å; Y591-I613 HydrophobicContact CE1-CG1 3.84Å; Y591-I613 HydrophobicContact CE1-CG2 4.11Å; Y591-L615 HydrophobicContact CD1-CD1 3.88Å; Y591-L615 HydrophobicContact CD1-CD2 4.31Å; Y591-L615 HydrophobicContact CD1-CG 4.05Å; Y591-L615 HydrophobicContact CG-CD1 4.17Å; Y591-I628 HydrophobicContact CD1-CG1 3.96Å; Y591-I628 HydrophobicContact CD2-CG1 4.49Å; Y591-I628 HydrophobicContact CE1-CG1 3.75Å; Y591-I628 HydrophobicContact CE2-CG1 4.29Å; Y591-I628 HydrophobicContact CE2-CG2 4.46Å; Y591-I628 HydrophobicContact CG-CG1 4.34Å; Y591-D631 WeakPolarHBondContact CE1-OD2 3.48Å; Y591-D631 WeakPolarHBondContact OH-CB 3.33Å; Y591-D631 PolarHBondContact OH-OD2 3.21Å; Y591-I633 HydrophobicContact CE2-CD1 4.09Å; Y591-I633 HydrophobicContact CE2-CG1 3.99Å; Y591-I633 WeakPolarHBondContact OH-CD1 3.43Å; Y591-I633 WeakPolarHBondContact OH-CG1 3.49Å; Y591-L636 HydrophobicContact CD2-CD1 4.22Å; Y591-L636 HydrophobicContact CE2-CD1 4.16Å
592A98.8Very high98.2Very high0 Ų037.2 Ų37.20%022%0.216CC..EExtended strand (participates in β ladder)trans-80.8127.2177.400000111.7S562 F565 R602 F612 I613 L615 S616S562-A592 CarbonylContact O-C 3.6Å; S562-A592 WeakPolarHBondContact O-CA 3.4Å; F565-A592 HydrophobicContact CD2-CB 4.08Å; A592-R602 VanDerWaalsContact CB-CZ 3.45Å; A592-F612 HydrophobicContact CB-CE1 3.78Å; A592-F612 HydrophobicContact CB-CZ 3.66Å; A592-I613 PolarHBondContact N-O 3.32Å; A592-L615 WeakPolarHBondContact O-CA 3.46Å; A592-L615 WeakPolarHBondContact O-CB 3.43Å; A592-L615 PolarHBondContact O-N 3.45Å; A592-S616 PolarHBondContact O-N 2.81Å
593L98.1Very high98.2Very high18 Ų1838.6 Ų38.69%0.09423%0.226CC..SBendtrans-89.8-9.7170.4-50.3-176.1000112.2V561 S562 L615 R647 L650V561-L593 HydrophobicContact CG1-CD1 3.98Å; V561-L593 HydrophobicContact CG1-CD2 3.69Å; V561-L593 HydrophobicContact CG1-CG 3.9Å; S562-L593 PolarHBondContact O-N 3.49Å; L593-L615 HydrophobicContact CD2-CB 4.17Å; L593-L615 HydrophobicContact CD2-CD1 4.1Å; L593-R647 HydrophobicContact CD1-CB 3.97Å; L593-R647 HydrophobicContact CD1-CG 4.27Å; L593-L650 HydrophobicContact CD2-CD1 3.71Å
594S96.1Very high98.2Very high25 Ų2537 Ų3718%0.17521%0.212CC..SBendtrans-111147.6178.153.70000112.2S563 R602S563-S594 WeakPolarHBondContact O-CB 3.38Å; S563-S594 PolarHBondContact O-OG 3.27Å; S594-R602 PolarHBondContact O-NH1 3.3Å; S594-R602 PolarHBondContact O-NH2 2.98Å; S594-R602 VanDerWaalsContact O-NH2 3.09Å
595P95.9Very high98.3Very high83 Ų8330.9 Ų30.954%0.53918%0.179SC..  trans-63.7159.9170.130.3-35.5000110.5D597P595-D597 PolarHBondContact O-N 3.47Å
596D98.1Very high98.3Very high79 Ų7929.7 Ų29.742%0.42218%0.176SC..  trans-61.4125.9173.9-169.7-11.3000110.8G598 R602D596-G598 PolarHBondContact OD1-N 3.23Å; D596-R602 HydrophobicContact CB-CG 4.27Å; D596-R602 WeakPolarHBondContact OD1-CG 3.48Å
597D97.4Very high98.2Very high79 Ų7933.5 Ų33.542%0.42221%0.208SC..  trans-931.2178.769.2-2.7000113.2G566 N567 P595 T599G566-D597 WeakPolarHBondContact CA-OD2 3.5Å; N567-D597 PolarHBondContact N-OD2 2.93Å; P595-D597 PolarHBondContact O-N 3.47Å; D597-T599 VanDerWaalsContact C-N 3.29Å; D597-T599 HydrophobicContact CB-CG2 4.4Å; D597-T599 VanDerWaalsContact CG-CG2 3.45Å; D597-T599 PolarHBondContact O-N 3.16Å; D597-T599 VanDerWaalsContact OD1-CB 3.28Å; D597-T599 WeakPolarHBondContact OD1-CB 3.3Å; D597-T599 VanDerWaalsContact OD1-CG2 3.28Å; D597-T599 WeakPolarHBondContact OD1-CG2 3.43Å; D597-T599 PolarHBondContact OD1-N 3.25Å; D597-T599 VanDerWaalsContact OD1-N 3.07Å; D597-T599 PolarHBondContact OD1-OG1 3.01Å; D597-T599 WeakPolarHBondContact OD2-CG2 3.3Å; D597-T599 PolarHBondContact OD2-OG1 3.34Å
598G97.7Very high98.2Very high52 Ų5236.3 Ų36.354%0.53622%0.221SC..SBendtrans76.99.5178.900000114.6D596D596-G598 PolarHBondContact OD1-N 3.23Å
599T98.3Very high98.2Very high15 Ų1536.8 Ų36.89%0.09223%0.225CC..  trans-88.6153.7-175.668.30000112.1N567 D597 F601 R602 V603 E821N567-T599 HydrophobicContact CB-CG2 3.82Å; N567-T599 PolarHBondContact N-OG1 3.29Å; D597-T599 VanDerWaalsContact C-N 3.29Å; D597-T599 HydrophobicContact CB-CG2 4.4Å; D597-T599 VanDerWaalsContact CG-CG2 3.45Å; D597-T599 PolarHBondContact O-N 3.16Å; D597-T599 VanDerWaalsContact OD1-CB 3.28Å; D597-T599 WeakPolarHBondContact OD1-CB 3.3Å; D597-T599 VanDerWaalsContact OD1-CG2 3.28Å; D597-T599 WeakPolarHBondContact OD1-CG2 3.43Å; D597-T599 PolarHBondContact OD1-N 3.25Å; D597-T599 VanDerWaalsContact OD1-N 3.07Å; D597-T599 PolarHBondContact OD1-OG1 3.01Å; D597-T599 WeakPolarHBondContact OD2-CG2 3.3Å; D597-T599 PolarHBondContact OD2-OG1 3.34Å; T599-F601 PolarHBondContact O-N 3.03Å; T599-F601 VanDerWaalsContact O-N 3.14Å; T599-R602 PolarHBondContact O-N 3.41Å; T599-R602 VanDerWaalsContact O-N 3.12Å; T599-V603 WeakPolarHBondContact O-CG2 3.37Å; T599-V603 PolarHBondContact O-N 3.39Å; T599-V603 VanDerWaalsContact O-N 3.13Å; T599-E821 WeakPolarHBondContact CA-OE2 3.44Å
600N98.5Very high98.2Very high49 Ų4939.9 Ų39.926%0.26224%0.241SC..Hα-helixtrans-62.1-23.7177.6-69.91.9000112.6V603 K604 K816 E821N600-V603 PolarHBondContact O-N 3.47Å; N600-K604 WeakPolarHBondContact O-CB 3.49Å; N600-K604 PolarHBondContact O-N 3.07Å; N600-K816 PolarHBondContact OD1-NZ 3.23Å; N600-E821 HydrophobicContact CB-CB 3.75Å; N600-E821 HydrophobicContact CB-CG 3.98Å; N600-E821 PolarHBondContact N-OE2 3.35Å; N600-E821 PolarHBondContact ND2-O 3.3Å
601F98.4Very high98.2Very high1 Ų143.1 Ų43.10%0.00426%0.257CS..Hα-helixtrans-59.8-50.5173.8-56.2-64.9000111G566 N567 H572 Q575 T599 K604 V605 M711 E821G566-F601 WeakPolarHBondContact O-CB 3.42Å; N567-F601 HydrophobicContact CB-CD2 3.78Å; N567-F601 HydrophobicContact CB-CE2 3.92Å; H572-F601 AromaticContact CD2-CE1 3.65Å; H572-F601 AromaticContact CD2-CZ 3.64Å; H572-F601 AromaticContact NE2-CE2 3.72Å; H572-F601 AromaticContact NE2-CZ 3.63Å; Q575-F601 VanDerWaalsContact OE1-CD1 3.29Å; T599-F601 PolarHBondContact O-N 3.03Å; T599-F601 VanDerWaalsContact O-N 3.14Å; F601-K604 PolarHBondContact O-N 3.07Å; F601-V605 WeakPolarHBondContact O-CG2 3.39Å; F601-V605 PolarHBondContact O-N 3.21Å; F601-M711 HydrophobicContact CE1-CE 3.51Å; F601-M711 HydrophobicContact CE1-SD 4.15Å; F601-M711 HydrophobicContact CZ-CE 3.74Å; F601-E821 HydrophobicContact CD2-CG 3.97Å; F601-E821 HydrophobicContact CE2-CG 3.52Å; F601-E821 HydrophobicContact CZ-CG 3.93Å
602R98.5Very high98.2Very high2 Ų245.3 Ų45.31%0.00827%0.266CS..Hα-helixtrans-64.4-44.8176.9-179.748.2162.1-112.1-2.3111.1F565 A592 S594 D596 T599 K604 V605 M606 F612F565-R602 WeakPolarHBondContact O-CD 3.33Å; F565-R602 PolarHBondContact O-NH1 2.85Å; A592-R602 VanDerWaalsContact CB-CZ 3.45Å; S594-R602 PolarHBondContact O-NH1 3.3Å; S594-R602 PolarHBondContact O-NH2 2.98Å; S594-R602 VanDerWaalsContact O-NH2 3.09Å; D596-R602 HydrophobicContact CB-CG 4.27Å; D596-R602 WeakPolarHBondContact OD1-CG 3.48Å; T599-R602 PolarHBondContact O-N 3.41Å; T599-R602 VanDerWaalsContact O-N 3.12Å; R602-K604 VanDerWaalsContact C-N 3.35Å; R602-K604 PolarHBondContact O-N 2.91Å; R602-V605 PolarHBondContact O-N 2.89Å; R602-M606 HydrophobicContact CG-CG 4.46Å; R602-M606 HydrophobicContact CG-SD 3.77Å; R602-M606 WeakPolarHBondContact O-CB 3.31Å; R602-M606 VanDerWaalsContact O-CG 3.3Å; R602-M606 WeakPolarHBondContact O-CG 3.39Å; R602-M606 PolarHBondContact O-N 3.01Å; R602-F612 VanDerWaalsContact CZ-CE1 3.46Å
603V98.6Very high98.2Very high78 Ų7845.8 Ų45.847%0.47327%0.268SS..Hα-helixtrans-56.8-46.3177175.10000111.7T599 N600 M606 A607T599-V603 WeakPolarHBondContact O-CG2 3.37Å; T599-V603 PolarHBondContact O-N 3.39Å; T599-V603 VanDerWaalsContact O-N 3.13Å; N600-V603 PolarHBondContact O-N 3.47Å; V603-M606 PolarHBondContact O-N 2.9Å; V603-A607 VanDerWaalsContact O-CB 3.28Å; V603-A607 WeakPolarHBondContact O-CB 3.5Å; V603-A607 PolarHBondContact O-N 3.33Å
604K98.7Very high98.2Very high39 Ų3947.1 Ų47.117%0.1728%0.276CS..Hα-helixtrans-62-50.3179.9-178.5-179.8164.369.70111.3Q575 S576 N600 F601 R602 M606 A607 E608Q575-K604 HydrophobicContact CB-CD 4.32Å; Q575-K604 HydrophobicContact CG-CD 4.06Å; Q575-K604 WeakPolarHBondContact O-CE 3.27Å; S576-K604 VanDerWaalsContact OG-CE 3.24Å; S576-K604 WeakPolarHBondContact OG-CE 3.33Å; N600-K604 WeakPolarHBondContact O-CB 3.49Å; N600-K604 PolarHBondContact O-N 3.07Å; F601-K604 PolarHBondContact O-N 3.07Å; R602-K604 VanDerWaalsContact C-N 3.35Å; R602-K604 PolarHBondContact O-N 2.91Å; K604-M606 VanDerWaalsContact C-N 3.32Å; K604-M606 PolarHBondContact O-N 3.19Å; K604-A607 PolarHBondContact O-N 2.95Å; K604-E608 WeakPolarHBondContact CE-OE2 3.39Å; K604-E608 HydrophobicContact CG-CG 4.37Å; K604-E608 IonicContact NZ-OE1 2.99Å; K604-E608 PolarHBondContact NZ-OE1 3.4Å; K604-E608 IonicContact NZ-OE2 2.78Å; K604-E608 PolarHBondContact NZ-OE2 3.13Å; K604-E608 WeakPolarHBondContact O-CB 3.43Å; K604-E608 WeakPolarHBondContact O-CG 3.41Å; K604-E608 PolarHBondContact O-N 2.85Å
605V98.7Very high98.3Very high0 Ų046 Ų460%027%0.268CS..Hα-helixtrans-63.2-39.7-179.7-179.40000111.3F565 Q575 P578 C590 F601 R602 A607 A609 F612F565-V605 HydrophobicContact CD1-CG1 3.97Å; F565-V605 HydrophobicContact CD1-CG2 4.35Å; F565-V605 HydrophobicContact CE1-CG1 4.18Å; F565-V605 HydrophobicContact CG-CG1 4.35Å; Q575-V605 HydrophobicContact CB-CG2 4.13Å; P578-V605 HydrophobicContact CG-CG1 4.29Å; C590-V605 HydrophobicContact CB-CG1 4.02Å; F601-V605 WeakPolarHBondContact O-CG2 3.39Å; F601-V605 PolarHBondContact O-N 3.21Å; R602-V605 PolarHBondContact O-N 2.89Å; V605-A607 VanDerWaalsContact C-N 3.35Å; V605-A609 VanDerWaalsContact O-CB 3.26Å; V605-A609 WeakPolarHBondContact O-CB 3.42Å; V605-A609 PolarHBondContact O-N 3.05Å; V605-F612 HydrophobicContact CB-CE2 4.3Å; V605-F612 HydrophobicContact CG1-CD2 4.1Å; V605-F612 HydrophobicContact CG1-CE2 3.74Å
606M98.5Very high98.3Very high82 Ų8243.5 Ų43.540%0.40425%0.252SS..Hα-helixtrans-63.2-38.7174.6-75.3174.864.400113.1R602 V603 K604 F612R602-M606 HydrophobicContact CG-CG 4.46Å; R602-M606 HydrophobicContact CG-SD 3.77Å; R602-M606 WeakPolarHBondContact O-CB 3.31Å; R602-M606 VanDerWaalsContact O-CG 3.3Å; R602-M606 WeakPolarHBondContact O-CG 3.39Å; R602-M606 PolarHBondContact O-N 3.01Å; V603-M606 PolarHBondContact O-N 2.9Å; K604-M606 VanDerWaalsContact C-N 3.32Å; K604-M606 PolarHBondContact O-N 3.19Å; M606-F612 HydrophobicContact CB-CD2 4.15Å; M606-F612 HydrophobicContact CB-CG 4.19Å; M606-F612 HydrophobicContact CG-CB 4.27Å; M606-F612 HydrophobicContact CG-CD1 3.61Å; M606-F612 HydrophobicContact CG-CD2 3.55Å; M606-F612 HydrophobicContact CG-CE1 3.75Å; M606-F612 HydrophobicContact CG-CE2 3.67Å; M606-F612 HydrophobicContact CG-CG 3.51Å; M606-F612 HydrophobicContact CG-CZ 3.77Å; M606-F612 HydrophobicContact SD-CD1 4.43Å; M606-F612 HydrophobicContact SD-CE1 4.32Å
607A98.5Very high98.1Very high81 Ų8146.3 Ų46.367%0.66926%0.263SS*.Hα-helixtrans-78.2-29.9-178.200000113.2V603 K604 V605V603-A607 VanDerWaalsContact O-CB 3.28Å; V603-A607 WeakPolarHBondContact O-CB 3.5Å; V603-A607 PolarHBondContact O-N 3.33Å; K604-A607 PolarHBondContact O-N 2.95Å; V605-A607 VanDerWaalsContact C-N 3.35Å
608E98.7Very high97.9Very high74 Ų7444.7 Ų44.735%0.34625%0.254SS..Hα-helixtrans-101.9-25-171.3-71.9-175.7-168.900114.5K604K604-E608 WeakPolarHBondContact CE-OE2 3.39Å; K604-E608 HydrophobicContact CG-CG 4.37Å; K604-E608 IonicContact NZ-OE1 2.99Å; K604-E608 PolarHBondContact NZ-OE1 3.4Å; K604-E608 IonicContact NZ-OE2 2.78Å; K604-E608 PolarHBondContact NZ-OE2 3.13Å; K604-E608 WeakPolarHBondContact O-CB 3.43Å; K604-E608 WeakPolarHBondContact O-CG 3.41Å; K604-E608 PolarHBondContact O-N 2.85Å
609A98.5Very high97.3Very high9 Ų947.3 Ų47.37%0.07426%0.261CS..SBendtrans-65.6144.9169.300000110P578 V588 C590 V605 H611P578-A609 HydrophobicContact CB-CB 4.31Å; V588-A609 HydrophobicContact CG1-CB 4.46Å; C590-A609 HydrophobicContact CB-CB 4.11Å; V605-A609 VanDerWaalsContact O-CB 3.26Å; V605-A609 WeakPolarHBondContact O-CB 3.42Å; V605-A609 PolarHBondContact O-N 3.05Å; A609-H611 PolarHBondContact O-N 3.33Å
610N98.7Very high96.8Very high71 Ų7149.3 Ų49.338%0.3828%0.275SS..SBendtrans-61.9-36.4174.3-59118.3000111E587 V588E587-N610 WeakPolarHBondContact CA-OD1 3.49Å; E587-N610 HydrophobicContact CG-CB 4.19Å; V588-N610 PolarHBondContact N-OD1 3.48Å; V588-N610 WeakPolarHBondContact O-CB 3.3Å; V588-N610 PolarHBondContact O-N 3.12Å; V588-N610 VanDerWaalsContact O-N 3.16Å
611H98.8Very high96.4Very high69 Ų6948.7 Ų48.732%0.31927%0.272SS..EExtended strand (participates in β ladder)trans-138.3134.8176.8-55.7-82.1000110.6E587 V588 F589 C590 A609 I613E587-H611 IonicContact OE1-CD2 3.15Å; E587-H611 IonicContact OE1-CE1 3.15Å; E587-H611 IonicContact OE1-NE2 2.66Å; E587-H611 PolarHBondContact OE1-NE2 3.11Å; V588-H611 PolarHBondContact O-N 3.35Å; F589-H611 CarbonylContact C-O 3.58Å; F589-H611 WeakPolarHBondContact CA-O 3.3Å; F589-H611 HydrophobicContact CD1-CB 3.46Å; F589-H611 VanDerWaalsContact CD1-CB 3.46Å; F589-H611 AromaticContact CD1-CD2 3.86Å; F589-H611 AromaticContact CD1-CG 3.82Å; F589-H611 HydrophobicContact CE1-CB 3.68Å; F589-H611 AromaticContact CE1-CD2 3.34Å; F589-H611 WeakPolarHBondContact CE1-CD2 3.47Å; F589-H611 AromaticContact CE1-CG 3.49Å; F589-H611 VanDerWaalsContact CE1-CG 3.49Å; F589-H611 AromaticContact CE2-CD2 3.72Å; F589-H611 HydrophobicContact CG-CB 4.06Å; F589-H611 HydrophobicContact CZ-CB 4.46Å; F589-H611 AromaticContact CZ-CD2 3.26Å; F589-H611 WeakPolarHBondContact CZ-CD2 3.38Å; F589-H611 AromaticContact CZ-CG 3.92Å; F589-H611 AromaticContact CZ-NE2 3.74Å; C590-H611 PolarHBondContact N-O 2.91Å; A609-H611 PolarHBondContact O-N 3.33Å; H611-I613 HydrophobicContact CB-CD1 3.95Å
612F98.8Very high95.9Very high46 Ų4648.8 Ų48.820%0.20227%0.273CS..EExtended strand (participates in β ladder)trans-121.9125.8174.1-163.7-79.1000110.6F565 C590 A592 R602 V605 M606F565-F612 HydrophobicContact CB-CZ 4.39Å; F565-F612 HydrophobicContact CD2-CE2 4.26Å; F565-F612 HydrophobicContact CD2-CZ 4.27Å; F565-F612 HydrophobicContact CG-CE2 4.48Å; C590-F612 HydrophobicContact CB-CD2 3.6Å; C590-F612 HydrophobicContact CB-CE2 3.82Å; C590-F612 HydrophobicContact CB-CG 4.48Å; A592-F612 HydrophobicContact CB-CE1 3.78Å; A592-F612 HydrophobicContact CB-CZ 3.66Å; R602-F612 VanDerWaalsContact CZ-CE1 3.46Å; V605-F612 HydrophobicContact CB-CE2 4.3Å; V605-F612 HydrophobicContact CG1-CD2 4.1Å; V605-F612 HydrophobicContact CG1-CE2 3.74Å; M606-F612 HydrophobicContact CB-CD2 4.15Å; M606-F612 HydrophobicContact CB-CG 4.19Å; M606-F612 HydrophobicContact CG-CB 4.27Å; M606-F612 HydrophobicContact CG-CD1 3.61Å; M606-F612 HydrophobicContact CG-CD2 3.55Å; M606-F612 HydrophobicContact CG-CE1 3.75Å; M606-F612 HydrophobicContact CG-CE2 3.67Å; M606-F612 HydrophobicContact CG-CG 3.51Å; M606-F612 HydrophobicContact CG-CZ 3.77Å; M606-F612 HydrophobicContact SD-CD1 4.43Å; M606-F612 HydrophobicContact SD-CE1 4.32Å
613I98.9Very high95.7Very high9 Ų955.5 Ų55.55%0.04630%0.302CS..EExtended strand (participates in β ladder)trans-124.7119.5-174.2-59.785.3000108.8F589 C590 Y591 A592 H611 L615 R627F589-I613 HydrophobicContact CB-CD1 4.38Å; F589-I613 HydrophobicContact CD1-CD1 3.84Å; C590-I613 PolarHBondContact O-N 3.17Å; Y591-I613 WeakPolarHBondContact CA-O 3.39Å; Y591-I613 HydrophobicContact CD1-CB 3.63Å; Y591-I613 HydrophobicContact CD1-CD1 4.2Å; Y591-I613 HydrophobicContact CD1-CG1 4.16Å; Y591-I613 HydrophobicContact CD1-CG2 3.92Å; Y591-I613 HydrophobicContact CE1-CB 3.84Å; Y591-I613 HydrophobicContact CE1-CD1 3.77Å; Y591-I613 HydrophobicContact CE1-CG1 3.84Å; Y591-I613 HydrophobicContact CE1-CG2 4.11Å; A592-I613 PolarHBondContact N-O 3.32Å; H611-I613 HydrophobicContact CB-CD1 3.95Å; I613-L615 HydrophobicContact CG2-CD2 3.73Å; I613-L615 HydrophobicContact CG2-CG 4.23Å; I613-L615 PolarHBondContact O-N 3.1Å; I613-R627 HydrophobicContact CG2-CG 4.12Å
614D98.5Very high95.6Very high47 Ų4751.8 Ų51.825%0.25128%0.28SS..EExtended strand (participates in β ladder)trans-87.694.7174.7-171.1-2.5000111.1S616 Q617D614-S616 VanDerWaalsContact C-N 3.26Å; D614-S616 VanDerWaalsContact CG-OG 3.27Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 WeakPolarHBondContact OD1-CB 3.43Å; D614-S616 PolarHBondContact OD1-N 3.49Å; D614-S616 PolarHBondContact OD1-OG 3.01Å; D614-S616 PolarHBondContact OD2-OG 2.98Å; D614-Q617 HydrophobicContact CB-CG 4.42Å
615L98.1Very high95.6Very high0 Ų049.9 Ų49.90%027%0.272CS..G310 helixtrans-77.3-8.5175.9-62.1-176.8000112.9Y591 A592 L593 I613 Q617 I618 A624 R627 I628 R647 L650Y591-L615 HydrophobicContact CD1-CD1 3.88Å; Y591-L615 HydrophobicContact CD1-CD2 4.31Å; Y591-L615 HydrophobicContact CD1-CG 4.05Å; Y591-L615 HydrophobicContact CG-CD1 4.17Å; A592-L615 WeakPolarHBondContact O-CA 3.46Å; A592-L615 WeakPolarHBondContact O-CB 3.43Å; A592-L615 PolarHBondContact O-N 3.45Å; L593-L615 HydrophobicContact CD2-CB 4.17Å; L593-L615 HydrophobicContact CD2-CD1 4.1Å; I613-L615 HydrophobicContact CG2-CD2 3.73Å; I613-L615 HydrophobicContact CG2-CG 4.23Å; I613-L615 PolarHBondContact O-N 3.1Å; L615-Q617 PolarHBondContact O-N 3.42Å; L615-I618 HydrophobicContact CD2-CD1 4.1Å; L615-I618 CarbonylContact O-C 3.44Å; L615-I618 PolarHBondContact O-N 3.28Å; L615-I618 VanDerWaalsContact O-O 3.12Å; L615-A624 HydrophobicContact CD1-CB 4.43Å; L615-A624 HydrophobicContact CD2-CB 4.15Å; L615-R627 HydrophobicContact CD2-CG 4.3Å; L615-I628 HydrophobicContact CD1-CD1 4.06Å; L615-I628 HydrophobicContact CD1-CG1 4.34Å; L615-R647 PolarHBondContact O-NH1 3.5Å; L615-L650 HydrophobicContact CD1-CD1 3.92Å
616S94.6Very high95.6Very high31 Ų3151.8 Ų51.822%0.21728%0.282CS..G310 helixtrans-62.8-28.1171.678.40000111.5A592 D614 I618A592-S616 PolarHBondContact O-N 2.81Å; D614-S616 VanDerWaalsContact C-N 3.26Å; D614-S616 VanDerWaalsContact CG-OG 3.27Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 WeakPolarHBondContact OD1-CB 3.43Å; D614-S616 PolarHBondContact OD1-N 3.49Å; D614-S616 PolarHBondContact OD1-OG 3.01Å; D614-S616 PolarHBondContact OD2-OG 2.98Å; S616-I618 VanDerWaalsContact C-N 3.26Å; S616-I618 PolarHBondContact O-N 2.98Å
617Q94.6Very high95.6Very high138 Ų13851.9 Ų51.965%0.64528%0.278SS*.G310 helixtrans-77.2-8.7173.1-56-55.8-47.400113.5D614 L615 P619D614-Q617 HydrophobicContact CB-CG 4.42Å; L615-Q617 PolarHBondContact O-N 3.42Å; Q617-P619 VanDerWaalsContact C-CD 3.48Å; Q617-P619 WeakPolarHBondContact O-CD 3.38Å
618I94Very high95.6Very high46 Ų4648 Ų4824%0.23625%0.246CC..  trans-120.376.4179.1-48.2179.5000108.6L615 S616 C620 K623 A624 R647L615-I618 HydrophobicContact CD2-CD1 4.1Å; L615-I618 CarbonylContact O-C 3.44Å; L615-I618 PolarHBondContact O-N 3.28Å; L615-I618 VanDerWaalsContact O-O 3.12Å; S616-I618 VanDerWaalsContact C-N 3.26Å; S616-I618 PolarHBondContact O-N 2.98Å; I618-C620 VanDerWaalsContact C-N 3.3Å; I618-C620 PolarHBondContact O-N 3.01Å; I618-K623 HydrophobicContact CG2-CB 3.72Å; I618-A624 HydrophobicContact CB-CB 4.35Å; I618-A624 HydrophobicContact CG2-CB 4Å; I618-R647 PolarHBondContact O-NH1 3.41Å; I618-R647 VanDerWaalsContact O-NH1 3.15Å; I618-R647 PolarHBondContact O-NH2 2.97Å
619P83.8Confident95.6Very high106 Ų10647.1 Ų47.169%0.68824%0.242SC*.  trans-67.8-28.9-173.825.6-34.6000112.9Q617 N621 R647Q617-P619 VanDerWaalsContact C-CD 3.48Å; Q617-P619 WeakPolarHBondContact O-CD 3.38Å; P619-N621 PolarHBondContact O-N 3.19Å; P619-N621 VanDerWaalsContact O-N 3.17Å; P619-R647 PolarHBondContact O-NH2 3.32Å; P619-R647 VanDerWaalsContact O-NH2 3.15Å
620C87.9Confident95.6Very high57 Ų5753.6 Ų53.639%0.38527%0.27SS..  trans-68.2113.5175.5178.90000110.6I618 G622 K623 A624I618-C620 VanDerWaalsContact C-N 3.3Å; I618-C620 PolarHBondContact O-N 3.01Å; C620-G622 VanDerWaalsContact C-N 3.28Å; C620-G622 PolarHBondContact O-N 3.19Å; C620-K623 HydrophobicContact CB-CB 4.27Å; C620-K623 HydrophobicContact CB-CD 4.31Å; C620-K623 HydrophobicContact CB-CG 4.26Å; C620-K623 PolarHBondContact O-N 3.48Å; C620-A624 PolarHBondContact O-N 2.9Å
621N90.1Very high95.6Very high36 Ų3651.2 Ų51.219%0.19326%0.258CS..Hα-helixtrans-57.7-37.4-179.6-67.9-29.6000113.1P619 A624 A625 R647 E649 L650P619-N621 PolarHBondContact O-N 3.19Å; P619-N621 VanDerWaalsContact O-N 3.17Å; N621-A624 PolarHBondContact O-N 3.35Å; N621-A625 WeakPolarHBondContact O-CB 3.49Å; N621-A625 PolarHBondContact O-N 3Å; N621-R647 VanDerWaalsContact OD1-CZ 3.29Å; N621-R647 PolarHBondContact OD1-NE 2.87Å; N621-R647 PolarHBondContact OD1-NH2 3.18Å; N621-E649 HydrophobicContact CB-CB 4.09Å; N621-E649 VanDerWaalsContact ND2-CB 3.33Å; N621-E649 WeakPolarHBondContact ND2-CB 3.4Å; N621-L650 HydrophobicContact CB-CD2 4.11Å
622G89.3Confident95.5Very high3 Ų348.6 Ų48.63%0.03125%0.249CC..Hα-helixtrans-60.7-46.5176.500000113C620 A625 D626C620-G622 VanDerWaalsContact C-N 3.28Å; C620-G622 PolarHBondContact O-N 3.19Å; G622-A625 PolarHBondContact O-N 3.45Å; G622-D626 VanDerWaalsContact O-CG 3.27Å; G622-D626 PolarHBondContact O-N 3.26Å
623K93.8Very high95.5Very high143 Ų14346.5 Ų46.562%0.62224%0.24SC*.Hα-helixtrans-69.4-36.5177.6-68.4-176.3178.6-178.80112.4I618 C620 D626 R627I618-K623 HydrophobicContact CG2-CB 3.72Å; C620-K623 HydrophobicContact CB-CB 4.27Å; C620-K623 HydrophobicContact CB-CD 4.31Å; C620-K623 HydrophobicContact CB-CG 4.26Å; C620-K623 PolarHBondContact O-N 3.48Å; K623-D626 PolarHBondContact O-N 3.03Å; K623-R627 PolarHBondContact O-N 3.13Å
624A96.2Very high95.5Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-66.3-40176.200000111.6L615 I618 C620 N621 R627 I628 L650L615-A624 HydrophobicContact CD1-CB 4.43Å; L615-A624 HydrophobicContact CD2-CB 4.15Å; I618-A624 HydrophobicContact CB-CB 4.35Å; I618-A624 HydrophobicContact CG2-CB 4Å; C620-A624 PolarHBondContact O-N 2.9Å; N621-A624 PolarHBondContact O-N 3.35Å; A624-R627 WeakPolarHBondContact O-CB 3.31Å; A624-R627 PolarHBondContact O-N 3.42Å; A624-I628 WeakPolarHBondContact O-CG1 3.49Å; A624-I628 PolarHBondContact O-N 2.94Å; A624-I628 VanDerWaalsContact O-N 3.16Å; A624-L650 HydrophobicContact CB-CD2 3.54Å
625A98.2Very high95.6Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-66.1-39.817300000112.4Y543 N621 G622 R627 I628 H629 L653 P655Y543-A625 HydrophobicContact CE2-CB 4.45Å; Y543-A625 WeakPolarHBondContact OH-CB 3.3Å; N621-A625 WeakPolarHBondContact O-CB 3.49Å; N621-A625 PolarHBondContact O-N 3Å; G622-A625 PolarHBondContact O-N 3.45Å; A625-R627 VanDerWaalsContact C-N 3.27Å; A625-R627 PolarHBondContact O-N 2.91Å; A625-I628 PolarHBondContact O-N 3.38Å; A625-H629 WeakPolarHBondContact O-CB 3.36Å; A625-H629 PolarHBondContact O-N 3.46Å; A625-L653 HydrophobicContact CB-CB 3.96Å; A625-L653 HydrophobicContact CB-CD1 3.55Å; A625-L653 HydrophobicContact CB-CG 4.38Å; A625-P655 HydrophobicContact CB-CB 4.42Å; A625-P655 HydrophobicContact CB-CG 4.45Å; A625-P655 WeakPolarHBondContact O-CB 3.49Å
626D98.2Very high95.6Very high39 Ų3944 Ų4421%0.20923%0.227CC..Hα-helixtrans-58-41.8172.9-68.9-34.3000111.5K540 Y543 G622 K623 H629 Q630K540-D626 IonicContact NZ-OD1 3.91Å; K540-D626 PolarHBondContact NZ-OD1 3.38Å; K540-D626 IonicContact NZ-OD2 3.07Å; K540-D626 PolarHBondContact NZ-OD2 3.25Å; Y543-D626 PolarHBondContact OH-N 3.17Å; Y543-D626 PolarHBondContact OH-OD1 3.48Å; Y543-D626 VanDerWaalsContact OH-OD1 3.13Å; G622-D626 VanDerWaalsContact O-CG 3.27Å; G622-D626 PolarHBondContact O-N 3.26Å; K623-D626 PolarHBondContact O-N 3.03Å; D626-H629 PolarHBondContact O-N 2.86Å; D626-Q630 WeakPolarHBondContact O-CB 3.28Å; D626-Q630 WeakPolarHBondContact O-CG 3.5Å; D626-Q630 PolarHBondContact O-N 2.9Å
627R98.6Very high95.8Very high84 Ų8442.5 Ų42.532%0.31722%0.216SC..Hα-helixtrans-60.5-47.2177.6171.359.6-155.1-113.212.7111.5I613 L615 K623 A624 A625 H629 Q630 D631I613-R627 HydrophobicContact CG2-CG 4.12Å; L615-R627 HydrophobicContact CD2-CG 4.3Å; K623-R627 PolarHBondContact O-N 3.13Å; A624-R627 WeakPolarHBondContact O-CB 3.31Å; A624-R627 PolarHBondContact O-N 3.42Å; A625-R627 VanDerWaalsContact C-N 3.27Å; A625-R627 PolarHBondContact O-N 2.91Å; R627-H629 VanDerWaalsContact C-N 3.3Å; R627-H629 PolarHBondContact O-N 2.75Å; R627-Q630 PolarHBondContact O-N 2.89Å; R627-D631 IonicContact CZ-OD1 2.8Å; R627-D631 IonicContact CZ-OD2 2.86Å; R627-D631 IonicContact NE-OD1 2.59Å; R627-D631 PolarHBondContact NE-OD1 3.25Å; R627-D631 VanDerWaalsContact NE-OD1 3.11Å; R627-D631 IonicContact NE-OD2 2.65Å; R627-D631 PolarHBondContact NE-OD2 3.47Å; R627-D631 IonicContact NH2-OD1 3.75Å; R627-D631 PolarHBondContact NH2-OD1 2.95Å; R627-D631 IonicContact NH2-OD2 2.84Å; R627-D631 PolarHBondContact NH2-OD2 3.24Å; R627-D631 PolarHBondContact O-N 3.49Å; R627-D631 VanDerWaalsContact O-N 3.16Å
628I98.8Very high96Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-59.7-43.5176.2-65.2166.7000110.5Y591 L615 A624 A625 D631 I633 L636 L650 P655Y591-I628 HydrophobicContact CD1-CG1 3.96Å; Y591-I628 HydrophobicContact CD2-CG1 4.49Å; Y591-I628 HydrophobicContact CE1-CG1 3.75Å; Y591-I628 HydrophobicContact CE2-CG1 4.29Å; Y591-I628 HydrophobicContact CE2-CG2 4.46Å; Y591-I628 HydrophobicContact CG-CG1 4.34Å; L615-I628 HydrophobicContact CD1-CD1 4.06Å; L615-I628 HydrophobicContact CD1-CG1 4.34Å; A624-I628 WeakPolarHBondContact O-CG1 3.49Å; A624-I628 PolarHBondContact O-N 2.94Å; A624-I628 VanDerWaalsContact O-N 3.16Å; A625-I628 PolarHBondContact O-N 3.38Å; I628-D631 PolarHBondContact O-N 3.21Å; I628-I633 HydrophobicContact CG2-CB 4.29Å; I628-I633 HydrophobicContact CG2-CG1 3.94Å; I628-L636 HydrophobicContact CD1-CD2 4.36Å; I628-L636 HydrophobicContact CG2-CD1 3.73Å; I628-L636 HydrophobicContact CG2-CD2 4.12Å; I628-L650 HydrophobicContact CD1-CD1 4.44Å; I628-P655 HydrophobicContact CB-CB 4.12Å; I628-P655 HydrophobicContact CB-CG 4.13Å; I628-P655 HydrophobicContact CD1-CG 4.41Å; I628-P655 HydrophobicContact CG2-CB 3.94Å; I628-P655 HydrophobicContact CG2-CG 3.79Å
629H98.7Very high96.3Very high56 Ų5633.9 Ų33.926%0.25918%0.175SC..Hα-helixtrans-64.2-42.4179.5-178.957.1000112.5Y543 E544 A625 D626 R627 D631 G632 P655Y543-H629 HydrophobicContact CD1-CB 3.75Å; Y543-H629 AromaticContact CD1-CD2 3.33Å; Y543-H629 WeakPolarHBondContact CD1-CD2 3.43Å; Y543-H629 AromaticContact CD1-CG 3.31Å; Y543-H629 AromaticContact CD1-ND1 3.79Å; Y543-H629 AromaticContact CD1-NE2 3.81Å; Y543-H629 HydrophobicContact CE1-CB 3.83Å; Y543-H629 AromaticContact CE1-CD2 3.92Å; Y543-H629 AromaticContact CE1-CG 3.88Å; Y543-H629 HydrophobicContact CG-CB 4.36Å; Y543-H629 AromaticContact CG-CG 3.92Å; Y543-H629 AromaticContact CG-ND1 3.97Å; E544-H629 PolarHBondContact O-CE1 3.19Å; E544-H629 VanDerWaalsContact O-CE1 3.25Å; A625-H629 WeakPolarHBondContact O-CB 3.36Å; A625-H629 PolarHBondContact O-N 3.46Å; D626-H629 PolarHBondContact O-N 2.86Å; R627-H629 VanDerWaalsContact C-N 3.3Å; R627-H629 PolarHBondContact O-N 2.75Å; H629-D631 VanDerWaalsContact C-N 3.29Å; H629-D631 PolarHBondContact O-N 3.4Å; H629-G632 WeakPolarHBondContact O-CA 3.41Å; H629-G632 PolarHBondContact O-N 2.93Å; H629-P655 HydrophobicContact CB-CB 4.11Å; H629-P655 PolarHBondContact ND1-O 3.33Å
630Q98.4Very high97Very high144 Ų14428.9 Ų28.967%0.67314%0.143SC*.Hα-helixtrans-63.3-33.3177.6-73.5163.817.700113D626 R627 G632D626-Q630 WeakPolarHBondContact O-CB 3.28Å; D626-Q630 WeakPolarHBondContact O-CG 3.5Å; D626-Q630 PolarHBondContact O-N 2.9Å; R627-Q630 PolarHBondContact O-N 2.89Å; Q630-G632 PolarHBondContact O-N 3.49Å
631D98.6Very high97.4Very high22 Ų2226.2 Ų26.212%0.11813%0.125CC..THydrogen-bonded Turntrans-68.6-13.7173.5-66.9-36.5000111.9R557 F589 Y591 R627 I628 H629 I633R557-D631 WeakPolarHBondContact CD-O 3.46Å; R557-D631 PolarHBondContact NH1-O 3.02Å; F589-D631 HydrophobicContact CD1-CB 3.95Å; F589-D631 HydrophobicContact CE1-CB 3.68Å; F589-D631 HydrophobicContact CZ-CB 4.32Å; Y591-D631 WeakPolarHBondContact CE1-OD2 3.48Å; Y591-D631 WeakPolarHBondContact OH-CB 3.33Å; Y591-D631 PolarHBondContact OH-OD2 3.21Å; R627-D631 IonicContact CZ-OD1 2.8Å; R627-D631 IonicContact CZ-OD2 2.86Å; R627-D631 IonicContact NE-OD1 2.59Å; R627-D631 PolarHBondContact NE-OD1 3.25Å; R627-D631 VanDerWaalsContact NE-OD1 3.11Å; R627-D631 IonicContact NE-OD2 2.65Å; R627-D631 PolarHBondContact NE-OD2 3.47Å; R627-D631 IonicContact NH2-OD1 3.75Å; R627-D631 PolarHBondContact NH2-OD1 2.95Å; R627-D631 IonicContact NH2-OD2 2.84Å; R627-D631 PolarHBondContact NH2-OD2 3.24Å; R627-D631 PolarHBondContact O-N 3.49Å; R627-D631 VanDerWaalsContact O-N 3.16Å; I628-D631 PolarHBondContact O-N 3.21Å; H629-D631 VanDerWaalsContact C-N 3.29Å; H629-D631 PolarHBondContact O-N 3.4Å; D631-I633 HydrophobicContact CB-CD1 4.25Å; D631-I633 HydrophobicContact CB-CG1 4.36Å
632G98.4Very high97.8Very high14 Ų1425.2 Ų25.214%0.14412%0.118CC..THydrogen-bonded Turntrans73.437.6174.200000113.8R557 H629 Q630R557-G632 WeakPolarHBondContact CD-O 3.37Å; H629-G632 WeakPolarHBondContact O-CA 3.41Å; H629-G632 PolarHBondContact O-N 2.93Å; Q630-G632 PolarHBondContact O-N 3.49Å
633I98.9Very high97.9Very high1 Ų126.7 Ų26.71%0.00513%0.127CC..  trans-63.3134-178.6-57.5-54.5000111.5R557 F589 Y591 I628 D631 I635 L636 A656 P657R557-I633 HydrophobicContact CB-CD1 4.15Å; F589-I633 HydrophobicContact CB-CD1 3.81Å; F589-I633 HydrophobicContact CD1-CD1 4.09Å; F589-I633 HydrophobicContact CD2-CD1 3.42Å; F589-I633 VanDerWaalsContact CD2-CD1 3.42Å; F589-I633 HydrophobicContact CE2-CD1 3.97Å; F589-I633 HydrophobicContact CG-CD1 3.51Å; Y591-I633 HydrophobicContact CE2-CD1 4.09Å; Y591-I633 HydrophobicContact CE2-CG1 3.99Å; Y591-I633 WeakPolarHBondContact OH-CD1 3.43Å; Y591-I633 WeakPolarHBondContact OH-CG1 3.49Å; I628-I633 HydrophobicContact CG2-CB 4.29Å; I628-I633 HydrophobicContact CG2-CG1 3.94Å; D631-I633 HydrophobicContact CB-CD1 4.25Å; D631-I633 HydrophobicContact CB-CG1 4.36Å; I633-I635 VanDerWaalsContact CG2-O 3.24Å; I633-I635 WeakPolarHBondContact CG2-O 3.28Å; I633-L636 HydrophobicContact CG2-CB 4.16Å; I633-L636 HydrophobicContact CG2-CD1 4.01Å; I633-A656 HydrophobicContact CB-CB 4.27Å; I633-A656 HydrophobicContact CG2-CB 4.07Å; I633-P657 VanDerWaalsContact O-CD 3.31Å; I633-P657 WeakPolarHBondContact O-CD 3.38Å
634H98.8Very high97.7Very high4 Ų429 Ų292%0.01914%0.137CC..SBendtrans-94.1-45.5175.8-54.388.2000111.1S552 L556 R557 P657 I658 W1024S552-H634 PolarHBondContact OG-CE1 3.23Å; L556-H634 HydrophobicContact CD1-CB 3.47Å; L556-H634 VanDerWaalsContact CD1-CB 3.47Å; L556-H634 HydrophobicContact CG-CB 4.33Å; R557-H634 VanDerWaalsContact CB-ND1 3.34Å; R557-H634 WeakPolarHBondContact CB-ND1 3.45Å; R557-H634 PolarHBondContact N-ND1 2.98Å; R557-H634 PolarHBondContact O-N 2.89Å; H634-P657 VanDerWaalsContact O-CD 3.31Å; H634-P657 WeakPolarHBondContact O-CD 3.31Å; H634-P657 VanDerWaalsContact O-CG 3.27Å; H634-P657 WeakPolarHBondContact O-CG 3.22Å; H634-I658 PolarHBondContact O-N 3.23Å; H634-W1024 HydrophobicContact CB-CE3 4Å; H634-W1024 HydrophobicContact CB-CZ3 4Å; H634-W1024 AromaticContact CD2-CH2 3.48Å; H634-W1024 VanDerWaalsContact CD2-CH2 3.48Å; H634-W1024 WeakPolarHBondContact CD2-CH2 3.49Å; H634-W1024 AromaticContact CD2-CZ2 3.94Å; H634-W1024 AromaticContact CD2-CZ3 3.66Å
635I98.9Very high97.4Very high0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-120.9116177-56.1-175.3000108.9L556 R557 V558 G559 I633 V637 I658 Y1020 M1023L556-I635 HydrophobicContact CD2-CD1 3.83Å; L556-I635 HydrophobicContact CD2-CG1 4.42Å; R557-I635 PolarHBondContact O-N 3.39Å; V558-I635 CarbonylContact C-O 3.59Å; V558-I635 WeakPolarHBondContact CA-O 3.45Å; V558-I635 HydrophobicContact CG2-CB 4.5Å; G559-I635 PolarHBondContact N-O 3.4Å; I633-I635 VanDerWaalsContact CG2-O 3.24Å; I633-I635 WeakPolarHBondContact CG2-O 3.28Å; I635-V637 HydrophobicContact CG2-CG2 4.07Å; I635-I658 WeakPolarHBondContact CA-O 3.35Å; I635-I658 HydrophobicContact CD1-CD1 4.45Å; I635-I658 HydrophobicContact CG1-CB 4.14Å; I635-I658 HydrophobicContact CG1-CD1 4.1Å; I635-I658 HydrophobicContact CG1-CG2 4.33Å; I635-I658 HydrophobicContact CG2-CG2 4.35Å; I635-Y1020 HydrophobicContact CD1-CD1 3.71Å; I635-Y1020 HydrophobicContact CD1-CG 3.93Å; I635-Y1020 WeakPolarHBondContact CD1-O 3.23Å; I635-Y1020 HydrophobicContact CG2-CD1 4.14Å; I635-Y1020 HydrophobicContact CG2-CE1 4.09Å; I635-M1023 HydrophobicContact CD1-CB 4.14Å; I635-M1023 HydrophobicContact CD1-SD 4.39Å
636L99Very high97.3Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-102.7120.8175.1-16471.8000110.1G559 V561 Y591 I628 I633 F651 P655 A656 I658 Q659 A660G559-L636 CarbonylContact O-C 3.6Å; V561-L636 HydrophobicContact CG2-CD1 3.54Å; V561-L636 HydrophobicContact CG2-CD2 4.27Å; V561-L636 HydrophobicContact CG2-CG 3.8Å; Y591-L636 HydrophobicContact CD2-CD1 4.22Å; Y591-L636 HydrophobicContact CE2-CD1 4.16Å; I628-L636 HydrophobicContact CD1-CD2 4.36Å; I628-L636 HydrophobicContact CG2-CD1 3.73Å; I628-L636 HydrophobicContact CG2-CD2 4.12Å; I633-L636 HydrophobicContact CG2-CB 4.16Å; I633-L636 HydrophobicContact CG2-CD1 4.01Å; L636-F651 HydrophobicContact CB-CE1 4.12Å; L636-F651 HydrophobicContact CD2-CD1 3.84Å; L636-F651 HydrophobicContact CD2-CE1 3.55Å; L636-F651 HydrophobicContact CD2-CZ 4.04Å; L636-F651 HydrophobicContact CG-CD1 4.31Å; L636-F651 HydrophobicContact CG-CE1 3.57Å; L636-F651 HydrophobicContact CG-CZ 4.01Å; L636-P655 HydrophobicContact CD2-CG 3.97Å; L636-A656 HydrophobicContact CB-CB 3.71Å; L636-I658 PolarHBondContact N-O 3.18Å; L636-Q659 HydrophobicContact CB-CG 4.42Å; L636-Q659 CarbonylContact O-C 3.59Å; L636-Q659 VanDerWaalsContact O-CA 3.24Å; L636-Q659 WeakPolarHBondContact O-CA 3.14Å; L636-A660 PolarHBondContact O-N 3.36Å
637V99Very high97.1Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-104.8117.6-171.7-174.60000109.5V558 G559 Y560 V561 I635 M639 A660 W662 Y1020V558-V637 HydrophobicContact CG1-CG2 3.98Å; G559-V637 PolarHBondContact O-N 3.44Å; Y560-V637 HydrophobicContact CD1-CB 3.81Å; Y560-V637 HydrophobicContact CD1-CG1 3.96Å; Y560-V637 HydrophobicContact CD1-CG2 4.11Å; Y560-V637 HydrophobicContact CE1-CB 4.22Å; Y560-V637 HydrophobicContact CE1-CG1 4.2Å; Y560-V637 HydrophobicContact CE1-CG2 4.08Å; V561-V637 PolarHBondContact N-O 3.26Å; I635-V637 HydrophobicContact CG2-CG2 4.07Å; V637-M639 HydrophobicContact CG1-CG 4.17Å; V637-A660 CarbonylContact C-O 3.59Å; V637-A660 WeakPolarHBondContact CA-O 3.42Å; V637-W662 HydrophobicContact CG1-CB 3.48Å; V637-W662 VanDerWaalsContact CG1-CB 3.48Å; V637-W662 HydrophobicContact CG1-CD2 4.32Å; V637-W662 HydrophobicContact CG1-CE3 3.88Å; V637-W662 HydrophobicContact CG1-CG 4.24Å; V637-Y1020 HydrophobicContact CG2-CE1 4.26Å; V637-Y1020 WeakPolarHBondContact CG2-OH 3.45Å
638N98.9Very high97.1Very high2 Ų228.5 Ų28.51%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-86.5114.3175-170.7-32.6000109.9N640 G641 N648 F651 A660 M661 W662 M674N638-N640 PolarHBondContact OD1-N 2.96Å; N638-G641 PolarHBondContact OD1-N 2.88Å; N638-N648 PolarHBondContact ND2-OD1 3.4Å; N638-F651 HydrophobicContact CB-CD1 4.18Å; N638-F651 HydrophobicContact CB-CD2 4.33Å; N638-F651 HydrophobicContact CB-CE1 3.61Å; N638-F651 HydrophobicContact CB-CE2 3.79Å; N638-F651 HydrophobicContact CB-CZ 3.4Å; N638-F651 WeakPolarHBondContact ND2-CD2 3.45Å; N638-A660 PolarHBondContact N-O 3Å; N638-M661 HydrophobicContact CB-SD 3.73Å; N638-W662 PolarHBondContact O-N 3.37Å; N638-M674 HydrophobicContact CB-CE 3.66Å; N638-M674 HydrophobicContact CB-SD 4.32Å
639M98.9Very high96.9Very high0 Ų029.5 Ų29.50%016%0.156CC..SBendtrans-107.316.6179.1-58176.263.200113.3Y560 V561 F565 T570 M574 V637 W662 G664Y560-M639 HydrophobicContact CD1-SD 3.84Å; Y560-M639 HydrophobicContact CG-SD 4.28Å; V561-M639 WeakPolarHBondContact O-CB 3.39Å; V561-M639 PolarHBondContact O-N 3.25Å; V561-M639 VanDerWaalsContact O-N 3.14Å; F565-M639 HydrophobicContact CE1-SD 4.48Å; F565-M639 HydrophobicContact CZ-SD 4.38Å; T570-M639 HydrophobicContact CG2-CE 3.43Å; T570-M639 VanDerWaalsContact CG2-CE 3.43Å; M574-M639 HydrophobicContact CE-CE 3.64Å; M574-M639 HydrophobicContact CE-SD 4.07Å; M574-M639 HydrophobicContact CG-CE 3.47Å; M574-M639 VanDerWaalsContact CG-CE 3.47Å; M574-M639 HydrophobicContact SD-CE 3.67Å; V637-M639 HydrophobicContact CG1-CG 4.17Å; M639-W662 WeakPolarHBondContact CA-O 3.34Å; M639-W662 HydrophobicContact CE-CE3 4Å; M639-W662 HydrophobicContact CE-CZ3 3.76Å; M639-W662 HydrophobicContact CG-CE3 3.98Å; M639-W662 HydrophobicContact SD-CE3 3.95Å; M639-W662 HydrophobicContact SD-CZ3 3.93Å; M639-G664 WeakPolarHBondContact O-CA 3.26Å
640N98.6Very high96.9Very high2 Ų226.8 Ų26.81%0.01114%0.144CC..  trans-117-46.8-177.3-77.3112.5000112.6S562 S563 N638 Y642 T643 A646 Y665S562-N640 VanDerWaalsContact CA-OD1 3.3Å; S562-N640 WeakPolarHBondContact CA-OD1 3.46Å; S563-N640 PolarHBondContact N-OD1 3.4Å; S563-N640 VanDerWaalsContact N-OD1 3.15Å; S563-N640 PolarHBondContact OG-ND2 3.29Å; N638-N640 PolarHBondContact OD1-N 2.96Å; N640-Y642 PolarHBondContact O-N 2.97Å; N640-T643 PolarHBondContact ND2-OG1 3.29Å; N640-T643 WeakPolarHBondContact O-CB 3.45Å; N640-T643 VanDerWaalsContact O-CG2 3.23Å; N640-T643 WeakPolarHBondContact O-CG2 3.36Å; N640-T643 PolarHBondContact O-N 3.07Å; N640-T643 PolarHBondContact O-OG1 3.12Å; N640-A646 HydrophobicContact CB-CB 3.79Å; N640-Y665 WeakPolarHBondContact O-CB 3.49Å
641G97.6Very high96.9Very high1 Ų120 Ų201%0.0111%0.112CC..SBendtrans51.5-126.3-164.200000111.5N638 T643 A646 N648N638-G641 PolarHBondContact OD1-N 2.88Å; G641-T643 PolarHBondContact O-N 2.7Å; G641-A646 WeakPolarHBondContact O-CB 3.39Å; G641-N648 PolarHBondContact O-ND2 2.86Å; G641-N648 PolarHBondContact O-OD1 3.42Å
642Y97.2Very high96.9Very high14 Ų1419.4 Ų19.46%0.05511%0.11CC..SBendtrans-100.955.6178-57.4-71.2000111.5H506 P507 A524 H527 G528 N640 Y665 S669H506-Y642 PolarHBondContact CE1-O 2.84Å; P507-Y642 HydrophobicContact CB-CD2 3.41Å; P507-Y642 VanDerWaalsContact CB-CD2 3.41Å; P507-Y642 HydrophobicContact CB-CE2 4.04Å; P507-Y642 HydrophobicContact CB-CG 3.81Å; P507-Y642 HydrophobicContact CG-CD1 4.24Å; P507-Y642 HydrophobicContact CG-CD2 3.69Å; P507-Y642 HydrophobicContact CG-CE2 4.09Å; P507-Y642 HydrophobicContact CG-CG 3.76Å; A524-Y642 HydrophobicContact CB-CE2 3.99Å; A524-Y642 PolarHBondContact O-OH 3.45Å; H527-Y642 HydrophobicContact CB-CD1 4.09Å; H527-Y642 HydrophobicContact CB-CE1 3.5Å; H527-Y642 VanDerWaalsContact CB-CE1 3.5Å; G528-Y642 WeakPolarHBondContact CA-OH 3.32Å; G528-Y642 PolarHBondContact N-OH 3.3Å; G528-Y642 VanDerWaalsContact N-OH 3.11Å; N640-Y642 PolarHBondContact O-N 2.97Å; Y642-Y665 HydrophobicContact CD2-CE1 4.11Å; Y642-Y665 HydrophobicContact CD2-CE2 4.37Å; Y642-Y665 AromaticContact CD2-CZ 3.83Å; Y642-S669 WeakPolarHBondContact CE2-O 3.49Å; Y642-S669 VanDerWaalsContact CZ-O 3.27Å; Y642-S669 PolarHBondContact OH-O 3.14Å
643T93.3Very high96.9Very high35 Ų3519.6 Ų19.622%0.21511%0.107CC..SBendtrans-107.1172.617359.40000111.7N640 G641 G645 A646 Y665N640-T643 PolarHBondContact ND2-OG1 3.29Å; N640-T643 WeakPolarHBondContact O-CB 3.45Å; N640-T643 VanDerWaalsContact O-CG2 3.23Å; N640-T643 WeakPolarHBondContact O-CG2 3.36Å; N640-T643 PolarHBondContact O-N 3.07Å; N640-T643 PolarHBondContact O-OG1 3.12Å; G641-T643 PolarHBondContact O-N 2.7Å; T643-G645 PolarHBondContact O-N 3.01Å; T643-A646 WeakPolarHBondContact O-CB 3.38Å; T643-A646 PolarHBondContact O-N 3.15Å; T643-Y665 HydrophobicContact CG2-CD2 4.2Å
644K87.7Confident96.9Very high191 Ų19122.6 Ų22.683%0.8312%0.119SC*.THydrogen-bonded Turntrans-61.6131.2177.7-175179.4-179.7178.80109.8S563S563-K644 PolarHBondContact OG-O 2.92Å
645G90.8Very high96.8Very high40 Ų4022.5 Ų22.541%0.41212%0.118SC..THydrogen-bonded Turntrans89.2-3.5179.100000114.9T643T643-G645 PolarHBondContact O-N 3.01Å
646A95.3Very high96.8Very high28 Ų2822.5 Ų22.523%0.23112%0.118CC..  trans-60139.7176.100000112.3N640 G641 T643N640-A646 HydrophobicContact CB-CB 3.79Å; G641-A646 WeakPolarHBondContact O-CB 3.39Å; T643-A646 WeakPolarHBondContact O-CB 3.38Å; T643-A646 PolarHBondContact O-N 3.15Å
647R95.7Very high96.8Very high34 Ų3422.7 Ų22.713%0.12812%0.12CC..  trans-125.165.8171-69.1173.759.4-173.94.1109.6L593 L615 I618 P619 N621 E649 L650L593-R647 HydrophobicContact CD1-CB 3.97Å; L593-R647 HydrophobicContact CD1-CG 4.27Å; L615-R647 PolarHBondContact O-NH1 3.5Å; I618-R647 PolarHBondContact O-NH1 3.41Å; I618-R647 VanDerWaalsContact O-NH1 3.15Å; I618-R647 PolarHBondContact O-NH2 2.97Å; P619-R647 PolarHBondContact O-NH2 3.32Å; P619-R647 VanDerWaalsContact O-NH2 3.15Å; N621-R647 VanDerWaalsContact OD1-CZ 3.29Å; N621-R647 PolarHBondContact OD1-NE 2.87Å; N621-R647 PolarHBondContact OD1-NH2 3.18Å; R647-E649 WeakPolarHBondContact CA-OE2 3.46Å; R647-E649 PolarHBondContact O-N 3.35Å; R647-E649 VanDerWaalsContact O-N 3.12Å; R647-L650 HydrophobicContact CB-CD1 4.02Å; R647-L650 HydrophobicContact CB-CG 4Å; R647-L650 WeakPolarHBondContact O-CB 3.28Å; R647-L650 WeakPolarHBondContact O-CG 3.49Å; R647-L650 PolarHBondContact O-N 2.9Å
648N97.9Very high96.8Very high11 Ų1122.9 Ų22.96%0.05912%0.121CC..THydrogen-bonded Turntrans-63.7-16.5-177.8-66.3-38.4000112.6N638 G641 L650 F651 A652 F673N638-N648 PolarHBondContact ND2-OD1 3.4Å; G641-N648 PolarHBondContact O-ND2 2.86Å; G641-N648 PolarHBondContact O-OD1 3.42Å; N648-L650 PolarHBondContact O-N 3.03Å; N648-F651 PolarHBondContact O-N 2.65Å; N648-A652 PolarHBondContact O-N 3.42Å; N648-F673 HydrophobicContact CB-CZ 4.39Å
649E95.2Very high96.8Very high20 Ų2022.8 Ų22.89%0.09312%0.12CC..Hα-helixtrans-55.4-31168.6-63.385.7173.600112.6C531 K534 I535 N621 R647 F651 A652 L653C531-E649 HydrophobicContact CB-CG 4.39Å; K534-E649 HydrophobicContact CB-CG 4.35Å; K534-E649 HydrophobicContact CD-CG 4.23Å; K534-E649 VanDerWaalsContact CD-OE1 3.25Å; K534-E649 WeakPolarHBondContact CD-OE1 3.33Å; K534-E649 IonicContact NZ-OE1 3.26Å; K534-E649 PolarHBondContact NZ-OE1 3.32Å; I535-E649 HydrophobicContact CG2-CB 3.68Å; I535-E649 HydrophobicContact CG2-CG 4.1Å; N621-E649 HydrophobicContact CB-CB 4.09Å; N621-E649 VanDerWaalsContact ND2-CB 3.33Å; N621-E649 WeakPolarHBondContact ND2-CB 3.4Å; R647-E649 WeakPolarHBondContact CA-OE2 3.46Å; R647-E649 PolarHBondContact O-N 3.35Å; R647-E649 VanDerWaalsContact O-N 3.12Å; E649-F651 VanDerWaalsContact C-N 3.35Å; E649-A652 PolarHBondContact O-N 3.05Å; E649-L653 PolarHBondContact O-N 2.83Å
650L98.3Very high96.8Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-63.8-41.9174.9-58.2-179.2000111.5V561 L593 L615 N621 A624 I628 R647 N648 P655V561-L650 HydrophobicContact CG1-CD1 4.46Å; L593-L650 HydrophobicContact CD2-CD1 3.71Å; L615-L650 HydrophobicContact CD1-CD1 3.92Å; N621-L650 HydrophobicContact CB-CD2 4.11Å; A624-L650 HydrophobicContact CB-CD2 3.54Å; I628-L650 HydrophobicContact CD1-CD1 4.44Å; R647-L650 HydrophobicContact CB-CD1 4.02Å; R647-L650 HydrophobicContact CB-CG 4Å; R647-L650 WeakPolarHBondContact O-CB 3.28Å; R647-L650 WeakPolarHBondContact O-CG 3.49Å; R647-L650 PolarHBondContact O-N 2.9Å; N648-L650 PolarHBondContact O-N 3.03Å; L650-P655 WeakPolarHBondContact O-CD 3.49Å
651F98.8Very high96.8Very high2 Ų222.9 Ų22.91%0.00912%0.121CC..Hα-helixtrans-75.3-34.9178-69.2-89.7000111.7V561 L636 N638 N648 E649 L653 R654 Q659 F673 M674V561-F651 HydrophobicContact CB-CE2 3.93Å; V561-F651 HydrophobicContact CB-CZ 3.68Å; V561-F651 HydrophobicContact CG1-CE2 4.04Å; V561-F651 HydrophobicContact CG1-CZ 4.31Å; V561-F651 HydrophobicContact CG2-CE1 4.48Å; V561-F651 HydrophobicContact CG2-CE2 4.11Å; V561-F651 HydrophobicContact CG2-CZ 3.6Å; L636-F651 HydrophobicContact CB-CE1 4.12Å; L636-F651 HydrophobicContact CD2-CD1 3.84Å; L636-F651 HydrophobicContact CD2-CE1 3.55Å; L636-F651 HydrophobicContact CD2-CZ 4.04Å; L636-F651 HydrophobicContact CG-CD1 4.31Å; L636-F651 HydrophobicContact CG-CE1 3.57Å; L636-F651 HydrophobicContact CG-CZ 4.01Å; N638-F651 HydrophobicContact CB-CD1 4.18Å; N638-F651 HydrophobicContact CB-CD2 4.33Å; N638-F651 HydrophobicContact CB-CE1 3.61Å; N638-F651 HydrophobicContact CB-CE2 3.79Å; N638-F651 HydrophobicContact CB-CZ 3.4Å; N638-F651 WeakPolarHBondContact ND2-CD2 3.45Å; N648-F651 PolarHBondContact O-N 2.65Å; E649-F651 VanDerWaalsContact C-N 3.35Å; F651-L653 PolarHBondContact O-N 3.4Å; F651-R654 WeakPolarHBondContact O-CG 3.4Å; F651-R654 PolarHBondContact O-N 2.91Å; F651-Q659 HydrophobicContact CD1-CB 4.19Å; F651-Q659 HydrophobicContact CD1-CG 4.43Å; F651-Q659 PolarHBondContact O-NE2 3.19Å; F651-F673 HydrophobicContact CB-CD2 3.71Å; F651-F673 HydrophobicContact CB-CE2 3.83Å; F651-M674 HydrophobicContact CB-SD 3.93Å; F651-M674 HydrophobicContact CD1-CE 4.13Å; F651-M674 HydrophobicContact CD1-SD 3.67Å; F651-M674 HydrophobicContact CE1-CE 4.38Å; F651-M674 HydrophobicContact CE1-SD 4.45Å; F651-M674 HydrophobicContact CG-SD 3.96Å
652A97.8Very high96.9Very high9 Ų923.1 Ų23.17%0.07412%0.121CC..Hα-helixtrans-59.2-33174.800000112.5C531 L532 I535 N648 E649 R654 F673C531-A652 HydrophobicContact CB-CB 4.21Å; L532-A652 HydrophobicContact CD2-CB 4.14Å; I535-A652 VanDerWaalsContact CD1-C 3.41Å; I535-A652 HydrophobicContact CD1-CB 3.63Å; I535-A652 WeakPolarHBondContact CD1-O 3.31Å; I535-A652 HydrophobicContact CG1-CB 4.29Å; I535-A652 HydrophobicContact CG2-CB 4.44Å; N648-A652 PolarHBondContact O-N 3.42Å; E649-A652 PolarHBondContact O-N 3.05Å; A652-R654 PolarHBondContact O-N 3.05Å; A652-F673 HydrophobicContact CB-CD1 3.73Å; A652-F673 HydrophobicContact CB-CE1 3.69Å; A652-F673 HydrophobicContact CB-CG 4.26Å; A652-F673 HydrophobicContact CB-CZ 4.21Å
653L97.8Very high96.9Very high17 Ų1723 Ų239%0.08912%0.121CC..THydrogen-bonded Turntrans-72.7-9.7175-78165.1000113.8I535 L538 K540 Y543 A625 E649 F651I535-L653 HydrophobicContact CB-CD2 4.13Å; I535-L653 HydrophobicContact CB-CG 4.15Å; I535-L653 HydrophobicContact CD1-CD2 3.91Å; I535-L653 HydrophobicContact CD1-CG 3.9Å; I535-L653 HydrophobicContact CG2-CD1 4.31Å; I535-L653 HydrophobicContact CG2-CG 4.03Å; L538-L653 HydrophobicContact CD1-CD1 4.33Å; K540-L653 HydrophobicContact CB-CD2 3.81Å; K540-L653 HydrophobicContact CG-CD2 3.95Å; Y543-L653 VanDerWaalsContact CD2-O 3.25Å; Y543-L653 WeakPolarHBondContact CD2-O 3.46Å; Y543-L653 HydrophobicContact CE2-CB 4.24Å; Y543-L653 VanDerWaalsContact CE2-O 3.27Å; Y543-L653 WeakPolarHBondContact CE2-O 3.28Å; A625-L653 HydrophobicContact CB-CB 3.96Å; A625-L653 HydrophobicContact CB-CD1 3.55Å; A625-L653 HydrophobicContact CB-CG 4.38Å; E649-L653 PolarHBondContact O-N 2.83Å; F651-L653 PolarHBondContact O-N 3.4Å
654R98.6Very high97Very high65 Ų6522.2 Ų22.225%0.24512%0.12CC..  trans47.156.8-179.9-59.8-160.965.3112.311.2115.1H545 F651 A652 A656 P657 L672 F673 D675H545-R654 PolarHBondContact NE2-O 2.87Å; F651-R654 WeakPolarHBondContact O-CG 3.4Å; F651-R654 PolarHBondContact O-N 2.91Å; A652-R654 PolarHBondContact O-N 3.05Å; R654-A656 PolarHBondContact O-N 3.33Å; R654-P657 PolarHBondContact NH2-O 3.32Å; R654-L672 PolarHBondContact NH1-O 3.48Å; R654-F673 HydrophobicContact CG-CB 4.01Å; R654-F673 PolarHBondContact NH1-O 3.27Å; R654-D675 IonicContact CZ-OD1 3.08Å; R654-D675 IonicContact CZ-OD2 2.67Å; R654-D675 IonicContact NH1-OD1 3.01Å; R654-D675 PolarHBondContact NH1-OD1 3.29Å; R654-D675 IonicContact NH1-OD2 3.16Å; R654-D675 IonicContact NH2-OD1 2.89Å; R654-D675 PolarHBondContact NH2-OD1 3.02Å; R654-D675 IonicContact NH2-OD2 3.7Å; R654-D675 PolarHBondContact NH2-OD2 3.04Å
655P98.7Very high97.5Very high1 Ų114 Ų141%0.0068%0.084CC..  trans-70.4-12178.830.7-37.1000114.3Y543 A625 I628 H629 L636 L650Y543-P655 HydrophobicContact CD2-CB 4.29Å; Y543-P655 HydrophobicContact CE2-CB 4.19Å; A625-P655 HydrophobicContact CB-CB 4.42Å; A625-P655 HydrophobicContact CB-CG 4.45Å; A625-P655 WeakPolarHBondContact O-CB 3.49Å; I628-P655 HydrophobicContact CB-CB 4.12Å; I628-P655 HydrophobicContact CB-CG 4.13Å; I628-P655 HydrophobicContact CD1-CG 4.41Å; I628-P655 HydrophobicContact CG2-CB 3.94Å; I628-P655 HydrophobicContact CG2-CG 3.79Å; H629-P655 HydrophobicContact CB-CB 4.11Å; H629-P655 PolarHBondContact ND1-O 3.33Å; L636-P655 HydrophobicContact CD2-CG 3.97Å; L650-P655 WeakPolarHBondContact O-CD 3.49Å
656A98.8Very high97.8Very high0 Ų012.9 Ų12.90%07%0.069CC..SBendtrans-125153.1176.800000111.4I633 L636 R654I633-A656 HydrophobicContact CB-CB 4.27Å; I633-A656 HydrophobicContact CG2-CB 4.07Å; L636-A656 HydrophobicContact CB-CB 3.71Å; R654-A656 PolarHBondContact O-N 3.33Å
657P98.6Very high97.9Very high5 Ų512.1 Ų12.13%0.0327%0.065CC..SBendtrans-67.8-38.9-178.319.9-25.8000113.8H545 I633 H634 R654 W1024 Y1027H545-P657 HydrophobicContact CB-CB 3.65Å; H545-P657 HydrophobicContact CB-CG 3.92Å; H545-P657 WeakPolarHBondContact ND1-CA 3.25Å; I633-P657 VanDerWaalsContact O-CD 3.31Å; I633-P657 WeakPolarHBondContact O-CD 3.38Å; H634-P657 VanDerWaalsContact O-CD 3.31Å; H634-P657 WeakPolarHBondContact O-CD 3.31Å; H634-P657 VanDerWaalsContact O-CG 3.27Å; H634-P657 WeakPolarHBondContact O-CG 3.22Å; R654-P657 PolarHBondContact NH2-O 3.32Å; P657-W1024 HydrophobicContact CG-CZ3 4.13Å; P657-Y1027 HydrophobicContact CB-CD1 4.21Å; P657-Y1027 HydrophobicContact CB-CD2 4.26Å; P657-Y1027 HydrophobicContact CB-CE1 3.59Å; P657-Y1027 HydrophobicContact CB-CE2 3.61Å; P657-Y1027 WeakPolarHBondContact CB-OH 3.42Å; P657-Y1027 HydrophobicContact CG-CE1 4.18Å
658I98.9Very high98Very high4 Ų411.1 Ų11.12%0.0216%0.062CC..EExtended strand (participates in β ladder)trans-116.5130.2179.6-57.2163.9000108.2H634 I635 L636 D675 Y676 M1023 W1024 Y1027H634-I658 PolarHBondContact O-N 3.23Å; I635-I658 WeakPolarHBondContact CA-O 3.35Å; I635-I658 HydrophobicContact CD1-CD1 4.45Å; I635-I658 HydrophobicContact CG1-CB 4.14Å; I635-I658 HydrophobicContact CG1-CD1 4.1Å; I635-I658 HydrophobicContact CG1-CG2 4.33Å; I635-I658 HydrophobicContact CG2-CG2 4.35Å; L636-I658 PolarHBondContact N-O 3.18Å; I658-D675 WeakPolarHBondContact CA-OD2 3.49Å; I658-Y676 HydrophobicContact CG2-CD2 3.85Å; I658-Y676 HydrophobicContact CG2-CE2 4.11Å; I658-M1023 HydrophobicContact CD1-CB 4.2Å; I658-M1023 WeakPolarHBondContact CD1-O 3.39Å; I658-M1023 HydrophobicContact CG2-CB 4.48Å; I658-M1023 HydrophobicContact CG2-SD 4.42Å; I658-W1024 HydrophobicContact CD1-CE3 4.08Å; I658-Y1027 HydrophobicContact CD1-CG 4.2Å; I658-Y1027 HydrophobicContact CG1-CD2 4.28Å; I658-Y1027 HydrophobicContact CG1-CG 4.14Å
659Q98.9Very high98.1Very high0 Ų010.8 Ų10.80%06%0.061CC..EExtended strand (participates in β ladder)trans-127125.3176.2-50.5-164.8147.700110.5L636 F651 F673 M674 D675 Y676L636-Q659 HydrophobicContact CB-CG 4.42Å; L636-Q659 CarbonylContact O-C 3.59Å; L636-Q659 VanDerWaalsContact O-CA 3.24Å; L636-Q659 WeakPolarHBondContact O-CA 3.14Å; F651-Q659 HydrophobicContact CD1-CB 4.19Å; F651-Q659 HydrophobicContact CD1-CG 4.43Å; F651-Q659 PolarHBondContact O-NE2 3.19Å; Q659-F673 PolarHBondContact NE2-O 3.4Å; Q659-M674 HydrophobicContact CB-CE 3.97Å; Q659-M674 HydrophobicContact CB-SD 4.12Å; Q659-D675 PolarHBondContact N-OD2 2.87Å; Q659-D675 WeakPolarHBondContact O-CB 3.37Å; Q659-D675 PolarHBondContact O-N 3.42Å; Q659-Y676 PolarHBondContact O-N 3.1Å
660A98.9Very high98.2Very high0 Ų010 Ų100%06%0.058CC..EExtended strand (participates in β ladder)trans-124.7137.7-173.400000112.3L636 V637 N638 M674 Y676 I678L636-A660 PolarHBondContact O-N 3.36Å; V637-A660 CarbonylContact C-O 3.59Å; V637-A660 WeakPolarHBondContact CA-O 3.42Å; N638-A660 PolarHBondContact N-O 3Å; A660-M674 WeakPolarHBondContact O-CE 3.34Å; A660-Y676 CarbonylContact C-O 3.57Å; A660-Y676 VanDerWaalsContact CA-O 3.29Å; A660-Y676 WeakPolarHBondContact CA-O 3.21Å; A660-I678 HydrophobicContact CB-CD1 4.24Å; A660-I678 HydrophobicContact CB-CG1 4.28Å
661M98.9Very high98.2Very high4 Ų410 Ų102%0.026%0.059CC..EExtended strand (participates in β ladder)trans-79.5135.4167.9-65.9-66.6-66.100109.6N638 Y665 M674 Y676 I677 I678 E694N638-M661 HydrophobicContact CB-SD 3.73Å; M661-Y665 HydrophobicContact CE-CD1 3.86Å; M661-Y665 HydrophobicContact CE-CG 4.34Å; M661-M674 HydrophobicContact CG-CB 4.26Å; M661-M674 HydrophobicContact CG-CE 3.82Å; M661-M674 HydrophobicContact CG-CG 4.18Å; M661-M674 HydrophobicContact SD-CE 3.73Å; M661-M674 HydrophobicContact SD-CG 3.99Å; M661-M674 HydrophobicContact SD-SD 4.29Å; M661-Y676 PolarHBondContact N-O 3.08Å; M661-I677 HydrophobicContact CB-CB 4.2Å; M661-I677 HydrophobicContact CB-CD1 4.45Å; M661-I677 HydrophobicContact CB-CG1 4.08Å; M661-I678 PolarHBondContact O-N 3.25Å; M661-E694 HydrophobicContact CG-CG 4.38Å; M661-E694 WeakPolarHBondContact CG-OE1 3.38Å
662W98.9Very high98.1Very high5 Ų517 Ų172%0.01910%0.095CC..EExtended strand (participates in β ladder)trans-151.7135.1178.2-179.154.4000113.2Y560 M574 I577 V637 N638 M639 G664 I678 Y1012 L1016Y560-W662 AromaticContact CD1-CE3 3.94Å; Y560-W662 HydrophobicContact CD1-CE3 3.94Å; Y560-W662 AromaticContact CD1-CZ3 3.73Å; Y560-W662 HydrophobicContact CD1-CZ3 3.73Å; Y560-W662 AromaticContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CH2 4.27Å; Y560-W662 AromaticContact CE1-CZ3 3.43Å; Y560-W662 HydrophobicContact CE1-CZ3 3.43Å; Y560-W662 VanDerWaalsContact CE1-CZ3 3.43Å; M574-W662 HydrophobicContact CB-CH2 3.75Å; M574-W662 HydrophobicContact CB-CZ2 4.49Å; M574-W662 HydrophobicContact CB-CZ3 4.38Å; M574-W662 HydrophobicContact CE-CH2 4.37Å; M574-W662 HydrophobicContact CE-CZ3 4.05Å; M574-W662 HydrophobicContact CG-CH2 4.1Å; M574-W662 HydrophobicContact CG-CZ3 4.25Å; I577-W662 HydrophobicContact CG1-CH2 4.39Å; I577-W662 HydrophobicContact CG2-CH2 4.32Å; V637-W662 HydrophobicContact CG1-CB 3.48Å; V637-W662 VanDerWaalsContact CG1-CB 3.48Å; V637-W662 HydrophobicContact CG1-CD2 4.32Å; V637-W662 HydrophobicContact CG1-CE3 3.88Å; V637-W662 HydrophobicContact CG1-CG 4.24Å; N638-W662 PolarHBondContact O-N 3.37Å; M639-W662 WeakPolarHBondContact CA-O 3.34Å; M639-W662 HydrophobicContact CE-CE3 4Å; M639-W662 HydrophobicContact CE-CZ3 3.76Å; M639-W662 HydrophobicContact CG-CE3 3.98Å; M639-W662 HydrophobicContact SD-CE3 3.95Å; M639-W662 HydrophobicContact SD-CZ3 3.93Å; W662-G664 VanDerWaalsContact C-N 3.28Å; W662-G664 PolarHBondContact O-N 2.91Å; W662-I678 HydrophobicContact CB-CB 4.3Å; W662-I678 HydrophobicContact CB-CD1 4.12Å; W662-I678 HydrophobicContact CG-CB 4.31Å; W662-I678 HydrophobicContact CG-CD1 4.19Å; W662-Y1012 AromaticContact CZ2-CE1 3.76Å; W662-Y1012 HydrophobicContact CZ2-CE1 3.76Å; W662-Y1012 PolarHBondContact NE1-OH 2.95Å; W662-L1016 HydrophobicContact CH2-CD2 4.43Å; W662-L1016 HydrophobicContact CZ2-CD2 4.17Å
663L97.4Very high98.1Very high11 Ų1116.9 Ų16.96%0.0589%0.093CC..SBendtrans63.3-59.9165.1-167.163.8000117.2L573 M574 Y665 F704 I705L573-L663 HydrophobicContact CB-CD2 4.04Å; L573-L663 HydrophobicContact CD1-CD1 4.06Å; L573-L663 HydrophobicContact CD1-CD2 4.41Å; L573-L663 HydrophobicContact CD1-CG 4.26Å; M574-L663 HydrophobicContact CB-CD2 3.8Å; M574-L663 HydrophobicContact CG-CD2 3.72Å; L663-Y665 PolarHBondContact O-N 3.12Å; L663-F704 HydrophobicContact CD1-CD2 4.12Å; L663-F704 HydrophobicContact CD1-CE2 4.1Å; L663-I705 HydrophobicContact CD2-CG2 4.32Å
664G94.4Very high98.2Very high19 Ų1916.3 Ų16.320%0.1969%0.09CC..SBendtrans-76.6-15.1-165.400000116M639 W662M639-G664 WeakPolarHBondContact O-CA 3.26Å; W662-G664 VanDerWaalsContact C-N 3.28Å; W662-G664 PolarHBondContact O-N 2.91Å
665Y98.2Very high98.2Very high19 Ų1914 Ų148%0.0758%0.082CC..  trans-125.3119.7176.6-175.2-109.8000111.7P507 H508 N640 Y642 T643 M661 L663 G667 T668P507-Y665 VanDerWaalsContact CB-OH 3.32Å; P507-Y665 WeakPolarHBondContact CB-OH 3.36Å; P507-Y665 PolarHBondContact O-OH 3.29Å; H508-Y665 HydrophobicContact CB-CE2 4.02Å; H508-Y665 AromaticContact CD2-CE2 3.91Å; H508-Y665 PolarHBondContact N-OH 3.05Å; N640-Y665 WeakPolarHBondContact O-CB 3.49Å; Y642-Y665 HydrophobicContact CD2-CE1 4.11Å; Y642-Y665 HydrophobicContact CD2-CE2 4.37Å; Y642-Y665 AromaticContact CD2-CZ 3.83Å; T643-Y665 HydrophobicContact CG2-CD2 4.2Å; M661-Y665 HydrophobicContact CE-CD1 3.86Å; M661-Y665 HydrophobicContact CE-CG 4.34Å; L663-Y665 PolarHBondContact O-N 3.12Å; Y665-G667 WeakPolarHBondContact CD1-O 3.34Å; Y665-G667 WeakPolarHBondContact CE1-O 3.37Å; Y665-G667 PolarHBondContact O-N 2.85Å; Y665-T668 WeakPolarHBondContact CE1-O 3.41Å
666P97.3Very high98.2Very high16 Ų1614.1 Ų14.110%0.1048%0.083CC..SBendtrans-87.452.1-173.736.2-37.3000112.7M511 H930 L951 A952M511-P666 HydrophobicContact CE-CG 4.29Å; M511-P666 HydrophobicContact SD-CG 3.97Å; P666-H930 VanDerWaalsContact CB-CE1 3.45Å; P666-H930 WeakPolarHBondContact CB-CE1 3.08Å; P666-L951 HydrophobicContact CB-CD2 3.83Å; P666-A952 HydrophobicContact CB-CB 4.09Å; P666-A952 HydrophobicContact CG-CB 4.45Å
667G97.5Very high98.2Very high13 Ų1314.4 Ų14.413%0.1348%0.084CC..SBendtrans-174.4178.1178.500000114.3Y665Y665-G667 WeakPolarHBondContact CD1-O 3.34Å; Y665-G667 WeakPolarHBondContact CE1-O 3.37Å; Y665-G667 PolarHBondContact O-N 2.85Å
668T98.7Very high98.2Very high12 Ų1214.2 Ų14.27%0.0748%0.083CC..  trans-65.3138.7172.8-179.40000111.6K521 A524 Y665 G670 Q691 S693 E694K521-T668 HydrophobicContact CB-CG2 4.36Å; A524-T668 HydrophobicContact CB-CG2 4.16Å; Y665-T668 WeakPolarHBondContact CE1-O 3.41Å; T668-G670 PolarHBondContact OG1-N 2.93Å; T668-Q691 WeakPolarHBondContact CG2-O 3.48Å; T668-S693 PolarHBondContact OG1-N 3.04Å; T668-S693 VanDerWaalsContact OG1-N 3.09Å; T668-S693 PolarHBondContact OG1-OG 2.72Å; T668-E694 PolarHBondContact OG1-OE2 3.21Å
669S98.6Very high98.2Very high4 Ų414.1 Ų14.13%0.0288%0.082CC..  trans-70.1-22.1166.171.40000111.7A524 Y642 A671 M674 E694A524-S669 CarbonylContact C-O 3.57Å; A524-S669 WeakPolarHBondContact CB-O 3.46Å; Y642-S669 WeakPolarHBondContact CE2-O 3.49Å; Y642-S669 VanDerWaalsContact CZ-O 3.27Å; Y642-S669 PolarHBondContact OH-O 3.14Å; S669-A671 PolarHBondContact O-N 3.31Å; S669-A671 VanDerWaalsContact O-N 3.09Å; S669-A671 PolarHBondContact OG-N 3.49Å; S669-A671 VanDerWaalsContact OG-N 3.11Å; S669-M674 WeakPolarHBondContact OG-CB 3.38Å; S669-M674 WeakPolarHBondContact OG-CG 3.39Å; S669-E694 WeakPolarHBondContact CA-OE1 3.42Å; S669-E694 WeakPolarHBondContact CB-OE1 3.41Å; S669-E694 PolarHBondContact N-OE1 3.36Å; S669-E694 PolarHBondContact OG-OE1 3.48Å
670G98.1Very high98.2Very high4 Ų414.1 Ų14.14%0.0418%0.082CC..  trans63.75.1-17100000113.3E525 T668 S693E525-G670 VanDerWaalsContact CA-O 3.23Å; E525-G670 WeakPolarHBondContact CA-O 3.21Å; E525-G670 WeakPolarHBondContact CG-O 3.39Å; T668-G670 PolarHBondContact OG1-N 2.93Å; G670-S693 VanDerWaalsContact C-OG 3.25Å; G670-S693 WeakPolarHBondContact CA-OG 3.47Å; G670-S693 PolarHBondContact N-OG 3.46Å
671A97.9Very high98.1Very high1 Ų120.1 Ų20.11%0.00811%0.111CC..  trans-103.1131.2-168.300000111.8S669 F673 M674 S693S669-A671 PolarHBondContact O-N 3.31Å; S669-A671 VanDerWaalsContact O-N 3.09Å; S669-A671 PolarHBondContact OG-N 3.49Å; S669-A671 VanDerWaalsContact OG-N 3.11Å; A671-F673 HydrophobicContact CB-CD1 3.86Å; A671-F673 HydrophobicContact CB-CD2 3.84Å; A671-F673 HydrophobicContact CB-CE1 3.53Å; A671-F673 HydrophobicContact CB-CE2 3.49Å; A671-F673 VanDerWaalsContact CB-CE2 3.49Å; A671-F673 HydrophobicContact CB-CG 4.01Å; A671-F673 HydrophobicContact CB-CZ 3.33Å; A671-F673 PolarHBondContact O-N 2.83Å; A671-F673 VanDerWaalsContact O-N 3.1Å; A671-M674 HydrophobicContact CB-CG 4.37Å; A671-M674 PolarHBondContact O-N 3.07Å; A671-S693 PolarHBondContact N-OG 2.91Å
672L97.2Very high98.1Very high148 Ų14823 Ų2378%0.77512%0.124SC*.THydrogen-bonded Turntrans-62.7-16.8175.2-67.7174.1000113.7R654 M674R654-L672 PolarHBondContact NH1-O 3.48Å; L672-M674 VanDerWaalsContact C-N 3.34Å
673F98.2Very high98.1Very high6 Ų622.8 Ų22.83%0.02612%0.123CC..THydrogen-bonded Turntrans-83.5-7.3175.756.3-108.7000113.4C531 L532 N648 F651 A652 R654 Q659 A671C531-F673 HydrophobicContact CB-CE1 4.32Å; C531-F673 HydrophobicContact CB-CZ 4.41Å; L532-F673 HydrophobicContact CD2-CD1 4.15Å; L532-F673 HydrophobicContact CG-CD1 4.37Å; L532-F673 HydrophobicContact CG-CE1 4.48Å; N648-F673 HydrophobicContact CB-CZ 4.39Å; F651-F673 HydrophobicContact CB-CD2 3.71Å; F651-F673 HydrophobicContact CB-CE2 3.83Å; A652-F673 HydrophobicContact CB-CD1 3.73Å; A652-F673 HydrophobicContact CB-CE1 3.69Å; A652-F673 HydrophobicContact CB-CG 4.26Å; A652-F673 HydrophobicContact CB-CZ 4.21Å; R654-F673 HydrophobicContact CG-CB 4.01Å; R654-F673 PolarHBondContact NH1-O 3.27Å; Q659-F673 PolarHBondContact NE2-O 3.4Å; A671-F673 HydrophobicContact CB-CD1 3.86Å; A671-F673 HydrophobicContact CB-CD2 3.84Å; A671-F673 HydrophobicContact CB-CE1 3.53Å; A671-F673 HydrophobicContact CB-CE2 3.49Å; A671-F673 VanDerWaalsContact CB-CE2 3.49Å; A671-F673 HydrophobicContact CB-CG 4.01Å; A671-F673 HydrophobicContact CB-CZ 3.33Å; A671-F673 PolarHBondContact O-N 2.83Å; A671-F673 VanDerWaalsContact O-N 3.1Å
674M98.8Very high98.1Very high5 Ų522.3 Ų22.33%0.02512%0.121CC..  trans-101.5121.9171.7-62.1-52.3-57.300109.5N638 F651 Q659 A660 M661 S669 A671 L672 E694N638-M674 HydrophobicContact CB-CE 3.66Å; N638-M674 HydrophobicContact CB-SD 4.32Å; F651-M674 HydrophobicContact CB-SD 3.93Å; F651-M674 HydrophobicContact CD1-CE 4.13Å; F651-M674 HydrophobicContact CD1-SD 3.67Å; F651-M674 HydrophobicContact CE1-CE 4.38Å; F651-M674 HydrophobicContact CE1-SD 4.45Å; F651-M674 HydrophobicContact CG-SD 3.96Å; Q659-M674 HydrophobicContact CB-CE 3.97Å; Q659-M674 HydrophobicContact CB-SD 4.12Å; A660-M674 WeakPolarHBondContact O-CE 3.34Å; M661-M674 HydrophobicContact CG-CB 4.26Å; M661-M674 HydrophobicContact CG-CE 3.82Å; M661-M674 HydrophobicContact CG-CG 4.18Å; M661-M674 HydrophobicContact SD-CE 3.73Å; M661-M674 HydrophobicContact SD-CG 3.99Å; M661-M674 HydrophobicContact SD-SD 4.29Å; S669-M674 WeakPolarHBondContact OG-CB 3.38Å; S669-M674 WeakPolarHBondContact OG-CG 3.39Å; A671-M674 HydrophobicContact CB-CG 4.37Å; A671-M674 PolarHBondContact O-N 3.07Å; L672-M674 VanDerWaalsContact C-N 3.34Å; M674-E694 HydrophobicContact CB-CG 3.78Å
675D98.8Very high98.2Very high17 Ų1722.1 Ų22.19%0.09112%0.116CC..  trans-87.2-42.3-172.8-55.7-51.7000111.9R654 I658 Q659 K695 P1033R654-D675 IonicContact CZ-OD1 3.08Å; R654-D675 IonicContact CZ-OD2 2.67Å; R654-D675 IonicContact NH1-OD1 3.01Å; R654-D675 PolarHBondContact NH1-OD1 3.29Å; R654-D675 IonicContact NH1-OD2 3.16Å; R654-D675 IonicContact NH2-OD1 2.89Å; R654-D675 PolarHBondContact NH2-OD1 3.02Å; R654-D675 IonicContact NH2-OD2 3.7Å; R654-D675 PolarHBondContact NH2-OD2 3.04Å; I658-D675 WeakPolarHBondContact CA-OD2 3.49Å; Q659-D675 PolarHBondContact N-OD2 2.87Å; Q659-D675 WeakPolarHBondContact O-CB 3.37Å; Q659-D675 PolarHBondContact O-N 3.42Å; D675-K695 PolarHBondContact O-N 3.35Å; D675-P1033 HydrophobicContact CB-CB 4.01Å; D675-P1033 HydrophobicContact CB-CG 3.64Å
676Y98.9Very high98.1Very high4 Ų424 Ų242%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-128153.1-173.9-70.2-80.5000112.3I658 Q659 A660 M661 E694 K695 A697 M1023 P1033 D1034 M1036I658-Y676 HydrophobicContact CG2-CD2 3.85Å; I658-Y676 HydrophobicContact CG2-CE2 4.11Å; Q659-Y676 PolarHBondContact O-N 3.1Å; A660-Y676 CarbonylContact C-O 3.57Å; A660-Y676 VanDerWaalsContact CA-O 3.29Å; A660-Y676 WeakPolarHBondContact CA-O 3.21Å; M661-Y676 PolarHBondContact N-O 3.08Å; Y676-E694 VanDerWaalsContact C-CB 3.48Å; Y676-K695 CarbonylContact C-O 3.52Å; Y676-K695 VanDerWaalsContact CA-O 3.28Å; Y676-K695 WeakPolarHBondContact CA-O 3.32Å; Y676-K695 HydrophobicContact CD1-CB 3.72Å; Y676-K695 HydrophobicContact CE1-CB 3.81Å; Y676-A697 HydrophobicContact CD1-CB 3.94Å; Y676-A697 HydrophobicContact CG-CB 4.49Å; Y676-M1023 HydrophobicContact CD1-CE 4.17Å; Y676-M1023 HydrophobicContact CD2-CE 4.27Å; Y676-M1023 HydrophobicContact CD2-CG 4.24Å; Y676-M1023 HydrophobicContact CD2-SD 4.15Å; Y676-M1023 HydrophobicContact CE2-CB 4.47Å; Y676-M1023 HydrophobicContact CE2-CG 4.15Å; Y676-M1023 HydrophobicContact CG-CE 3.83Å; Y676-M1023 HydrophobicContact CG-SD 4.32Å; Y676-P1033 HydrophobicContact CE2-CB 3.88Å; Y676-P1033 HydrophobicContact CE2-CG 4.37Å; Y676-P1033 WeakPolarHBondContact OH-CA 3.48Å; Y676-D1034 WeakPolarHBondContact CE1-O 3.28Å; Y676-D1034 PolarHBondContact OH-N 2.8Å; Y676-D1034 PolarHBondContact OH-O 3.47Å; Y676-M1036 HydrophobicContact CE1-CG 4.26Å; Y676-M1036 HydrophobicContact CE1-SD 4.25Å
677I98.9Very high98.1Very high5 Ų530.5 Ų30.53%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-119.5118.8161.6-178.6160.3000108.3M661 T679 Y692 E694 K695 L696 A697 L951M661-I677 HydrophobicContact CB-CB 4.2Å; M661-I677 HydrophobicContact CB-CD1 4.45Å; M661-I677 HydrophobicContact CB-CG1 4.08Å; I677-T679 PolarHBondContact O-N 3.19Å; I677-Y692 HydrophobicContact CD1-CD1 4.01Å; I677-Y692 HydrophobicContact CD1-CE1 4.15Å; I677-Y692 HydrophobicContact CG2-CD1 4.32Å; I677-Y692 HydrophobicContact CG2-CG 4.45Å; I677-E694 HydrophobicContact CB-CB 3.98Å; I677-E694 HydrophobicContact CB-CG 4.38Å; I677-E694 HydrophobicContact CG2-CB 3.92Å; I677-K695 PolarHBondContact N-O 3.2Å; I677-L696 HydrophobicContact CG2-CD2 3.79Å; I677-A697 PolarHBondContact O-N 3.17Å; I677-L951 HydrophobicContact CD1-CD1 3.92Å
678I98.9Very high98Very high2 Ų230.8 Ų30.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-77.9109.7176.1-58.5177.6000107.3A660 M661 W662 A697 M699 L1016 L1019 Y1020 M1023A660-I678 HydrophobicContact CB-CD1 4.24Å; A660-I678 HydrophobicContact CB-CG1 4.28Å; M661-I678 PolarHBondContact O-N 3.25Å; W662-I678 HydrophobicContact CB-CB 4.3Å; W662-I678 HydrophobicContact CB-CD1 4.12Å; W662-I678 HydrophobicContact CG-CB 4.31Å; W662-I678 HydrophobicContact CG-CD1 4.19Å; I678-A697 WeakPolarHBondContact CA-O 3.4Å; I678-M699 HydrophobicContact CG2-CG 3.86Å; I678-M699 HydrophobicContact CG2-SD 4.38Å; I678-L1016 HydrophobicContact CD1-CD1 3.88Å; I678-L1016 HydrophobicContact CG2-CD1 4.2Å; I678-L1019 HydrophobicContact CG1-CD2 4.38Å; I678-L1019 HydrophobicContact CG2-CD2 3.96Å; I678-Y1020 HydrophobicContact CD1-CE1 3.66Å; I678-M1023 HydrophobicContact CD1-CE 4.38Å; I678-M1023 HydrophobicContact CG1-CE 3.96Å
679T98.7Very high97.9Very high1 Ų131.1 Ų31.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-141.2-161.3-175.5-171.30000108.9I677 S684 L696 A697 Y698 M699I677-T679 PolarHBondContact O-N 3.19Å; T679-S684 WeakPolarHBondContact OG1-CB 3.31Å; T679-S684 PolarHBondContact OG1-OG 2.87Å; T679-L696 HydrophobicContact CG2-CB 4.42Å; T679-L696 HydrophobicContact CG2-CD2 4.13Å; T679-A697 PolarHBondContact N-O 3.32Å; T679-Y698 HydrophobicContact CG2-CD1 3.86Å; T679-Y698 HydrophobicContact CG2-CE1 3.86Å; T679-Y698 CarbonylContact O-C 3.41Å; T679-Y698 WeakPolarHBondContact O-CA 3.5Å; T679-M699 PolarHBondContact O-N 3.32Å
680D98.5Very high97.8Very high0 Ų036.1 Ų36.10%019%0.19CC..  trans-144.5171.91746283000110.9E682 T683 S684 T702 F703 S958D680-E682 VanDerWaalsContact C-N 3.32Å; D680-E682 PolarHBondContact O-N 3.05Å; D680-E682 WeakPolarHBondContact OD1-CA 3.34Å; D680-E682 WeakPolarHBondContact OD1-CB 3.44Å; D680-E682 PolarHBondContact OD1-N 3.42Å; D680-T683 VanDerWaalsContact CG-OG1 3.3Å; D680-T683 PolarHBondContact O-N 3.36Å; D680-T683 WeakPolarHBondContact OD1-CB 3.31Å; D680-T683 PolarHBondContact OD1-N 3.22Å; D680-T683 PolarHBondContact OD1-OG1 2.92Å; D680-T683 WeakPolarHBondContact OD2-CB 3.09Å; D680-T683 PolarHBondContact OD2-OG1 2.9Å; D680-S684 PolarHBondContact O-N 3.5Å; D680-T702 WeakPolarHBondContact OD2-CA 3.48Å; D680-T702 PolarHBondContact OD2-OG1 3.4Å; D680-F703 WeakPolarHBondContact OD2-CD1 3.49Å; D680-F703 PolarHBondContact OD2-N 2.86Å; D680-S958 PolarHBondContact OD1-OG 2.95Å; D680-S958 PolarHBondContact OD2-OG 3.03Å
681Q97.9Very high97.7Very high127 Ų12736.6 Ų36.659%0.59319%0.192SC*.THydrogen-bonded Turntrans-62-37.1-176.5-177.7171.85.900113.2P685 Y698Q681-P685 VanDerWaalsContact O-CA 3.28Å; Q681-P685 WeakPolarHBondContact O-CA 3.41Å; Q681-P685 WeakPolarHBondContact O-CB 3.49Å; Q681-Y698 HydrophobicContact CB-CD2 4.16Å; Q681-Y698 HydrophobicContact CB-CE2 3.92Å; Q681-Y698 HydrophobicContact CG-CE2 4.34Å
682E97.9Very high97.8Very high65 Ų6536.9 Ų36.930%0.30419%0.193SC..THydrogen-bonded Turntrans-76.5-41.9-177.7-59.6-59.7143.700110.9D680 R954 T961D680-E682 VanDerWaalsContact C-N 3.32Å; D680-E682 PolarHBondContact O-N 3.05Å; D680-E682 WeakPolarHBondContact OD1-CA 3.34Å; D680-E682 WeakPolarHBondContact OD1-CB 3.44Å; D680-E682 PolarHBondContact OD1-N 3.42Å; E682-R954 VanDerWaalsContact O-CZ 3.22Å; E682-R954 PolarHBondContact O-NE 3.27Å; E682-R954 PolarHBondContact O-NH2 2.92Å; E682-T961 HydrophobicContact CG-CG2 3.83Å
683T98.5Very high97.8Very high0 Ų031.6 Ų31.60%017%0.168CC..THydrogen-bonded Turntrans-69-43.8179.2-62.30000111.8D680 F703 L951 R954 S958D680-T683 VanDerWaalsContact CG-OG1 3.3Å; D680-T683 PolarHBondContact O-N 3.36Å; D680-T683 WeakPolarHBondContact OD1-CB 3.31Å; D680-T683 PolarHBondContact OD1-N 3.22Å; D680-T683 PolarHBondContact OD1-OG1 2.92Å; D680-T683 WeakPolarHBondContact OD2-CB 3.09Å; D680-T683 PolarHBondContact OD2-OG1 2.9Å; T683-F703 HydrophobicContact CG2-CD1 4.11Å; T683-F703 HydrophobicContact CG2-CE1 3.77Å; T683-L951 HydrophobicContact CG2-CD1 4.42Å; T683-L951 HydrophobicContact CG2-CD2 3.95Å; T683-L951 HydrophobicContact CG2-CG 3.6Å; T683-R954 WeakPolarHBondContact O-CD 3.43Å; T683-R954 PolarHBondContact O-NE 3.29Å; T683-S958 WeakPolarHBondContact OG1-CB 3.38Å; T683-S958 PolarHBondContact OG1-OG 3.14Å
684S98.2Very high97.8Very high0 Ų031.4 Ų31.40%017%0.167CC..SBendtrans-136.170.6-173.4-57.70000110.8T679 D680 Y692 Y698T679-S684 WeakPolarHBondContact OG1-CB 3.31Å; T679-S684 PolarHBondContact OG1-OG 2.87Å; D680-S684 PolarHBondContact O-N 3.5Å; S684-Y692 PolarHBondContact OG-OH 2.87Å; S684-Y698 WeakPolarHBondContact O-CE1 3.31Å; S684-Y698 PolarHBondContact O-OH 3.07Å
685P97.4Very high97.8Very high16 Ų1634.2 Ų34.210%0.10418%0.179CC..  trans-62151.8-178.424.6-31000111.2Q681 E687 V688Q681-P685 VanDerWaalsContact O-CA 3.28Å; Q681-P685 WeakPolarHBondContact O-CA 3.41Å; Q681-P685 WeakPolarHBondContact O-CB 3.49Å; P685-E687 HydrophobicContact CB-CG 4.13Å; P685-E687 HydrophobicContact CG-CG 4.11Å; P685-E687 PolarHBondContact O-N 3.01Å; P685-V688 HydrophobicContact CG-CG2 3.87Å; P685-V688 VanDerWaalsContact O-CG2 3.23Å; P685-V688 WeakPolarHBondContact O-CG2 3.19Å; P685-V688 PolarHBondContact O-N 3.33Å
686A95.9Very high97.8Very high58 Ų5833.5 Ų33.548%0.47918%0.175SC..G310 helixtrans-59-24.9-173.800000113.7V688 A689 Y698A686-V688 PolarHBondContact O-N 3.34Å; A686-A689 VanDerWaalsContact O-CB 3.31Å; A686-A689 WeakPolarHBondContact O-CB 3.42Å; A686-A689 PolarHBondContact O-N 3.47Å; A686-Y698 PolarHBondContact N-OH 3.13Å
687E95.9Very high97.8Very high153 Ų15333.3 Ų33.372%0.71518%0.175SC*.G310 helixtrans-66.2-18.7178.368.6-171.3172.400114.6P685P685-E687 HydrophobicContact CB-CG 4.13Å; P685-E687 HydrophobicContact CG-CG 4.11Å; P685-E687 PolarHBondContact O-N 3.01Å
688V95.9Very high97.8Very high18 Ų1834.5 Ų34.511%0.10918%0.179CC..G310 helixtrans-11723.7176.7-65.80000111.7P685 A686 E690 Q691P685-V688 HydrophobicContact CG-CG2 3.87Å; P685-V688 VanDerWaalsContact O-CG2 3.23Å; P685-V688 WeakPolarHBondContact O-CG2 3.19Å; P685-V688 PolarHBondContact O-N 3.33Å; A686-V688 PolarHBondContact O-N 3.34Å; V688-E690 VanDerWaalsContact CA-OE2 3.28Å; V688-E690 WeakPolarHBondContact CA-OE2 3.37Å; V688-E690 PolarHBondContact O-N 2.97Å; V688-Q691 VanDerWaalsContact CB-NE2 3.28Å; V688-Q691 VanDerWaalsContact O-CG 3.22Å; V688-Q691 WeakPolarHBondContact O-CG 3.49Å; V688-Q691 PolarHBondContact O-N 3.14Å; V688-Q691 PolarHBondContact O-NE2 3.23Å
689A97.2Very high97.8Very high20 Ų2034.5 Ų34.517%0.16518%0.179CC..G310 helixtrans-60.9-26.7-178.700000112.7A686 Q691 Y692 L696A686-A689 VanDerWaalsContact O-CB 3.31Å; A686-A689 WeakPolarHBondContact O-CB 3.42Å; A686-A689 PolarHBondContact O-N 3.47Å; A689-Q691 PolarHBondContact O-N 3.11Å; A689-Y692 PolarHBondContact O-N 2.6Å; A689-Y692 VanDerWaalsContact O-N 3.17Å; A689-L696 HydrophobicContact CB-CD1 3.88Å; A689-L696 HydrophobicContact CB-CG 4.48Å
690E95.6Very high97.7Very high108 Ų10838.4 Ų38.451%0.50521%0.205SC..G310 helixtrans-65.8-21.1179.274.8-65.5156.100114K521 V688 Y692K521-E690 WeakPolarHBondContact CD-O 3.45Å; K521-E690 PolarHBondContact NZ-O 3.32Å; V688-E690 VanDerWaalsContact CA-OE2 3.28Å; V688-E690 WeakPolarHBondContact CA-OE2 3.37Å; V688-E690 PolarHBondContact O-N 2.97Å; E690-Y692 PolarHBondContact O-N 3.48Å
691Q97.3Very high97.6Very high15 Ų1542 Ų427%0.0722%0.221CC..G310 helixtrans-68.1-14.8175.185.4-175.1-73.600112.5H517 T668 V688 A689H517-Q691 HydrophobicContact CB-CB 3.75Å; T668-Q691 WeakPolarHBondContact CG2-O 3.48Å; V688-Q691 VanDerWaalsContact CB-NE2 3.28Å; V688-Q691 VanDerWaalsContact O-CG 3.22Å; V688-Q691 WeakPolarHBondContact O-CG 3.49Å; V688-Q691 PolarHBondContact O-N 3.14Å; V688-Q691 PolarHBondContact O-NE2 3.23Å; A689-Q691 PolarHBondContact O-N 3.11Å
692Y98.6Very high97.7Very high6 Ų636.2 Ų36.22%0.02419%0.194CC..  trans-105147.4-179.8-50.9-82.7000111.3K521 I677 S684 A689 E690 L696 L951K521-Y692 WeakPolarHBondContact CE-O 3.42Å; K521-Y692 PolarHBondContact NZ-O 3.35Å; I677-Y692 HydrophobicContact CD1-CD1 4.01Å; I677-Y692 HydrophobicContact CD1-CE1 4.15Å; I677-Y692 HydrophobicContact CG2-CD1 4.32Å; I677-Y692 HydrophobicContact CG2-CG 4.45Å; S684-Y692 PolarHBondContact OG-OH 2.87Å; A689-Y692 PolarHBondContact O-N 2.6Å; A689-Y692 VanDerWaalsContact O-N 3.17Å; E690-Y692 PolarHBondContact O-N 3.48Å; Y692-L696 HydrophobicContact CD2-CD2 3.56Å; Y692-L696 HydrophobicContact CE2-CD2 3.96Å; Y692-L696 HydrophobicContact CG-CD2 4.01Å; Y692-L951 HydrophobicContact CE1-CB 4.35Å; Y692-L951 HydrophobicContact CE1-CD1 3.94Å
693S98.4Very high97.7Very high37 Ų3733.4 Ų33.426%0.25918%0.181SC..SBendtrans-83-32.6167.246.40000111.6T668 G670 A671T668-S693 PolarHBondContact OG1-N 3.04Å; T668-S693 VanDerWaalsContact OG1-N 3.09Å; T668-S693 PolarHBondContact OG1-OG 2.72Å; G670-S693 VanDerWaalsContact C-OG 3.25Å; G670-S693 WeakPolarHBondContact CA-OG 3.47Å; G670-S693 PolarHBondContact N-OG 3.46Å; A671-S693 PolarHBondContact N-OG 2.91Å
694E98.7Very high97.7Very high3 Ų333.7 Ų33.71%0.01418%0.182CC..SBendtrans-81160.6-177-54.788.6154.400111M661 T668 S669 M674 Y676 I677M661-E694 HydrophobicContact CG-CG 4.38Å; M661-E694 WeakPolarHBondContact CG-OE1 3.38Å; T668-E694 PolarHBondContact OG1-OE2 3.21Å; S669-E694 WeakPolarHBondContact CA-OE1 3.42Å; S669-E694 WeakPolarHBondContact CB-OE1 3.41Å; S669-E694 PolarHBondContact N-OE1 3.36Å; S669-E694 PolarHBondContact OG-OE1 3.48Å; M674-E694 HydrophobicContact CB-CG 3.78Å; Y676-E694 VanDerWaalsContact C-CB 3.48Å; I677-E694 HydrophobicContact CB-CB 3.98Å; I677-E694 HydrophobicContact CB-CG 4.38Å; I677-E694 HydrophobicContact CG2-CB 3.92Å
695K98.7Very high97.7Very high64 Ų6433.7 Ų33.728%0.27818%0.182SC..EExtended strand (participates in β ladder)trans-79.2136.2169.9-60.3-62.5-173.4165.50110.4D675 Y676 I677 A697 P1033 D1034 H1035D675-K695 PolarHBondContact O-N 3.35Å; Y676-K695 CarbonylContact C-O 3.52Å; Y676-K695 VanDerWaalsContact CA-O 3.28Å; Y676-K695 WeakPolarHBondContact CA-O 3.32Å; Y676-K695 HydrophobicContact CD1-CB 3.72Å; Y676-K695 HydrophobicContact CE1-CB 3.81Å; I677-K695 PolarHBondContact N-O 3.2Å; K695-A697 PolarHBondContact O-N 3.37Å; K695-P1033 WeakPolarHBondContact CE-O 3.4Å; K695-P1033 HydrophobicContact CG-CB 4.07Å; K695-D1034 IonicContact NZ-OD1 3.88Å; K695-D1034 PolarHBondContact NZ-OD1 3.15Å; K695-H1035 PolarHBondContact NZ-NE2 3.33Å
696L98.8Very high97.8Very high1 Ų132.9 Ų32.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-68.8126.4177.2-53.9-176.7000109.7I677 T679 A689 Y692 Y698 H1035 M1036 I1037I677-L696 HydrophobicContact CG2-CD2 3.79Å; T679-L696 HydrophobicContact CG2-CB 4.42Å; T679-L696 HydrophobicContact CG2-CD2 4.13Å; A689-L696 HydrophobicContact CB-CD1 3.88Å; A689-L696 HydrophobicContact CB-CG 4.48Å; Y692-L696 HydrophobicContact CD2-CD2 3.56Å; Y692-L696 HydrophobicContact CE2-CD2 3.96Å; Y692-L696 HydrophobicContact CG-CD2 4.01Å; L696-Y698 HydrophobicContact CB-CD1 4.22Å; L696-Y698 HydrophobicContact CB-CE1 3.78Å; L696-Y698 HydrophobicContact CD1-CE1 3.94Å; L696-Y698 HydrophobicContact CG-CE1 4.41Å; L696-H1035 PolarHBondContact N-ND1 2.93Å; L696-M1036 PolarHBondContact O-N 3.39Å; L696-I1037 HydrophobicContact CB-CG2 4.2Å
697A98.6Very high97.9Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-120.6109.1172.400000109.1Y676 I677 I678 T679 K695 L1019 M1023 M1036Y676-A697 HydrophobicContact CD1-CB 3.94Å; Y676-A697 HydrophobicContact CG-CB 4.49Å; I677-A697 PolarHBondContact O-N 3.17Å; I678-A697 WeakPolarHBondContact CA-O 3.4Å; T679-A697 PolarHBondContact N-O 3.32Å; K695-A697 PolarHBondContact O-N 3.37Å; A697-L1019 HydrophobicContact CB-CD1 4.1Å; A697-L1019 HydrophobicContact CB-CD2 4.05Å; A697-L1019 HydrophobicContact CB-CG 4.34Å; A697-M1023 HydrophobicContact CB-CE 3.25Å; A697-M1036 HydrophobicContact CB-CB 4.47Å
698Y98.6Very high98Very high30 Ų3023 Ų2312%0.11812%0.121CC..EExtended strand (participates in β ladder)trans-87.4122.9-170-72.6-6.2000112.6T679 Q681 S684 A686 L696 M1036 I1037T679-Y698 HydrophobicContact CG2-CD1 3.86Å; T679-Y698 HydrophobicContact CG2-CE1 3.86Å; T679-Y698 CarbonylContact O-C 3.41Å; T679-Y698 WeakPolarHBondContact O-CA 3.5Å; Q681-Y698 HydrophobicContact CB-CD2 4.16Å; Q681-Y698 HydrophobicContact CB-CE2 3.92Å; Q681-Y698 HydrophobicContact CG-CE2 4.34Å; S684-Y698 WeakPolarHBondContact O-CE1 3.31Å; S684-Y698 PolarHBondContact O-OH 3.07Å; A686-Y698 PolarHBondContact N-OH 3.13Å; L696-Y698 HydrophobicContact CB-CD1 4.22Å; L696-Y698 HydrophobicContact CB-CE1 3.78Å; L696-Y698 HydrophobicContact CD1-CE1 3.94Å; L696-Y698 HydrophobicContact CG-CE1 4.41Å; Y698-M1036 PolarHBondContact N-O 3.02Å; Y698-I1037 HydrophobicContact CD1-CG2 4.24Å; Y698-I1037 HydrophobicContact CD2-CB 3.8Å; Y698-I1037 HydrophobicContact CD2-CG2 3.76Å; Y698-I1037 HydrophobicContact CE1-CG2 4.03Å; Y698-I1037 HydrophobicContact CE2-CB 3.7Å; Y698-I1037 HydrophobicContact CE2-CG2 3.48Å; Y698-I1037 VanDerWaalsContact CE2-CG2 3.48Å; Y698-I1037 HydrophobicContact CG-CB 4.5Å; Y698-I1037 HydrophobicContact CG-CG2 4.12Å
699M98.3Very high98.1Very high3 Ų323.2 Ų23.22%0.01513%0.125CC..  trans-66145152.3-68.2-63.8-70.200109I678 T679 H701 F703 Y1012 E1015 L1016 L1019I678-M699 HydrophobicContact CG2-CG 3.86Å; I678-M699 HydrophobicContact CG2-SD 4.38Å; T679-M699 PolarHBondContact O-N 3.32Å; M699-H701 VanDerWaalsContact C-N 3.26Å; M699-H701 PolarHBondContact O-N 2.93Å; M699-F703 HydrophobicContact CG-CB 4.41Å; M699-Y1012 HydrophobicContact CE-CD1 4.22Å; M699-Y1012 HydrophobicContact CE-CD2 3.83Å; M699-Y1012 HydrophobicContact CE-CE1 4.05Å; M699-Y1012 HydrophobicContact CE-CE2 3.69Å; M699-Y1012 HydrophobicContact CE-CG 4.1Å; M699-E1015 HydrophobicContact CE-CB 3.72Å; M699-L1016 HydrophobicContact CE-CB 4.1Å; M699-L1016 HydrophobicContact SD-CB 4.14Å; M699-L1016 HydrophobicContact SD-CD1 3.94Å; M699-L1019 HydrophobicContact CG-CD2 4.47Å; M699-L1019 HydrophobicContact SD-CD2 4.03Å
700P97.2Very high98.2Very high83 Ų8325.8 Ų25.854%0.53914%0.136SC..SBendtrans-72.2-17.6-171.528.9-36.2000114.1E1015P700-E1015 HydrophobicContact CG-CB 3.98Å; P700-E1015 HydrophobicContact CG-CG 3.73Å; P700-E1015 VanDerWaalsContact CG-OE2 3.23Å; P700-E1015 WeakPolarHBondContact CG-OE2 3.46Å
701H97.2Very high98.3Very high76 Ų7620.9 Ų20.935%0.35211%0.113SC..SBendtrans-119.8-79.9-179.7-63.2-57.4000111.4M699 C962 E1015M699-H701 VanDerWaalsContact C-N 3.26Å; M699-H701 PolarHBondContact O-N 2.93Å; H701-C962 HydrophobicContact CB-CB 4.38Å; H701-E1015 IonicContact CD2-OE1 2.8Å; H701-E1015 PolarHBondContact CD2-OE1 3.12Å; H701-E1015 IonicContact CD2-OE2 3.52Å; H701-E1015 IonicContact NE2-OE1 3.45Å
702T98.6Very high98.4Very high4 Ų420.2 Ų20.23%0.02511%0.11CC..  trans-137.8147.6173.6179.70000108.3D680 F704 S958 C962 L1006D680-T702 WeakPolarHBondContact OD2-CA 3.48Å; D680-T702 PolarHBondContact OD2-OG1 3.4Å; T702-F704 WeakPolarHBondContact CG2-O 3.39Å; T702-F704 PolarHBondContact O-N 3.3Å; T702-F704 PolarHBondContact OG1-N 3.46Å; T702-S958 WeakPolarHBondContact CB-OG 3.34Å; T702-S958 PolarHBondContact OG1-OG 3.17Å; T702-C962 HydrophobicContact CG2-CB 3.61Å; T702-L1006 HydrophobicContact CG2-CD1 3.86Å
703F98.6Very high98.4Very high6 Ų621.3 Ų21.33%0.02612%0.118CC..SBendtrans-72.1-16.8171.191.6-73.6000112.2D680 T683 M699 L951 V955 Y1012D680-F703 WeakPolarHBondContact OD2-CD1 3.49Å; D680-F703 PolarHBondContact OD2-N 2.86Å; T683-F703 HydrophobicContact CG2-CD1 4.11Å; T683-F703 HydrophobicContact CG2-CE1 3.77Å; M699-F703 HydrophobicContact CG-CB 4.41Å; F703-L951 HydrophobicContact CZ-CD2 4.17Å; F703-V955 HydrophobicContact CE1-CG1 4.34Å; F703-V955 HydrophobicContact CE1-CG2 4.14Å; F703-V955 HydrophobicContact CZ-CG2 4.35Å; F703-Y1012 WeakPolarHBondContact O-CE2 3.4Å; F703-Y1012 PolarHBondContact O-OH 3.08Å
704F98.5Very high98.4Very high6 Ų619.7 Ų19.73%0.02611%0.106CC..  trans-82.5140-176.3-138.6-96.7000111.4L573 L663 T702 H930 M934 V955 Q959L573-F704 HydrophobicContact CD1-CE1 3.89Å; L573-F704 HydrophobicContact CD1-CE2 4.45Å; L573-F704 HydrophobicContact CD1-CZ 3.62Å; L573-F704 HydrophobicContact CD2-CE1 3.82Å; L573-F704 HydrophobicContact CD2-CZ 4.38Å; L663-F704 HydrophobicContact CD1-CD2 4.12Å; L663-F704 HydrophobicContact CD1-CE2 4.1Å; T702-F704 WeakPolarHBondContact CG2-O 3.39Å; T702-F704 PolarHBondContact O-N 3.3Å; T702-F704 PolarHBondContact OG1-N 3.46Å; F704-H930 VanDerWaalsContact CE1-C 3.47Å; F704-H930 HydrophobicContact CE1-CB 4.42Å; F704-H930 WeakPolarHBondContact CE1-O 3.43Å; F704-H930 HydrophobicContact CE2-CB 3.8Å; F704-H930 VanDerWaalsContact CZ-C 3.44Å; F704-H930 HydrophobicContact CZ-CB 3.54Å; F704-M934 HydrophobicContact CD1-CG 3.44Å; F704-M934 VanDerWaalsContact CD1-CG 3.44Å; F704-M934 HydrophobicContact CD1-SD 3.92Å; F704-M934 HydrophobicContact CE1-CG 3.52Å; F704-V955 HydrophobicContact CB-CG1 4.4Å; F704-V955 HydrophobicContact CD2-CG1 3.58Å; F704-V955 HydrophobicContact CE2-CG1 4Å; F704-V955 HydrophobicContact CG-CG1 3.94Å; F704-Q959 HydrophobicContact CB-CG 4.25Å
705I98.6Very high98.4Very high0 Ų019.6 Ų19.60%011%0.106CC..  trans-137.6159.6178.9-16954.1000109.7L573 I577 L663 T1009 Y1012L573-I705 WeakPolarHBondContact CB-O 3.29Å; L573-I705 WeakPolarHBondContact CD2-O 3.46Å; I577-I705 HydrophobicContact CD1-CG1 4.45Å; L663-I705 HydrophobicContact CD2-CG2 4.32Å; I705-T1009 HydrophobicContact CD1-CG2 4.09Å; I705-T1009 HydrophobicContact CG1-CG2 3.93Å; I705-Y1012 HydrophobicContact CB-CD1 4.26Å; I705-Y1012 HydrophobicContact CB-CD2 3.78Å; I705-Y1012 HydrophobicContact CB-CE1 4.26Å; I705-Y1012 HydrophobicContact CB-CE2 3.73Å; I705-Y1012 HydrophobicContact CB-CG 4.05Å; I705-Y1012 HydrophobicContact CD1-CD2 3.83Å; I705-Y1012 HydrophobicContact CD1-CG 3.82Å; I705-Y1012 HydrophobicContact CG1-CD1 4.14Å; I705-Y1012 HydrophobicContact CG1-CD2 3.96Å; I705-Y1012 HydrophobicContact CG1-CE2 4.4Å; I705-Y1012 HydrophobicContact CG1-CG 3.8Å; I705-Y1012 HydrophobicContact CG2-CD1 4.48Å; I705-Y1012 HydrophobicContact CG2-CE1 4.17Å; I705-Y1012 HydrophobicContact CG2-CE2 4.33Å
706G98.2Very high98.2Very high0 Ų020.8 Ų20.80%011%0.111CC..  trans-143.3135.8176.200000112L573 H708L573-G706 CarbonylContact O-C 3.52Å; G706-H708 WeakPolarHBondContact CA-ND1 3.11Å; G706-H708 PolarHBondContact O-N 3.46Å
707D98.6Very high98Very high1 Ų127.7 Ų27.71%0.00514%0.141CC..THydrogen-bonded Turntrans-82.813.4178.6-160.851.2000112.8H572 L573 Q575 S576 A709 N710 M711H572-D707 VanDerWaalsContact O-CB 3.3Å; H572-D707 WeakPolarHBondContact O-CB 3.09Å; H572-D707 PolarHBondContact O-N 3.22Å; H572-D707 VanDerWaalsContact O-N 3.16Å; L573-D707 PolarHBondContact O-N 2.97Å; Q575-D707 VanDerWaalsContact CD-OD2 3.26Å; Q575-D707 HydrophobicContact CG-CB 4.12Å; Q575-D707 WeakPolarHBondContact CG-OD2 3.43Å; Q575-D707 PolarHBondContact NE2-OD2 2.97Å; S576-D707 WeakPolarHBondContact CB-OD1 3.34Å; S576-D707 PolarHBondContact OG-OD1 3.41Å; S576-D707 PolarHBondContact OG-OD2 3.01Å; D707-A709 PolarHBondContact O-N 3.48Å; D707-A709 VanDerWaalsContact O-N 3.11Å; D707-N710 PolarHBondContact O-N 2.85Å; D707-N710 PolarHBondContact OD2-ND2 3.12Å; D707-M711 HydrophobicContact CB-CG 4.31Å; D707-M711 HydrophobicContact CB-SD 4.29Å; D707-M711 PolarHBondContact O-N 3.21Å
708H98.6Very high97.9Very high1 Ų128.1 Ų28.11%0.00514%0.143CC..Hα-helixtrans-56.9-31.5-174.8-56.665.8000113.4G706 N710 F712 M934 D935 W938 F1007G706-H708 WeakPolarHBondContact CA-ND1 3.11Å; G706-H708 PolarHBondContact O-N 3.46Å; H708-N710 PolarHBondContact O-N 3.36Å; H708-F712 HydrophobicContact CB-CD2 4.06Å; H708-F712 AromaticContact CD2-CD2 3.93Å; H708-F712 AromaticContact CD2-CE2 3.93Å; H708-F712 CarbonylContact O-C 3.51Å; H708-F712 WeakPolarHBondContact O-CA 3.34Å; H708-F712 PolarHBondContact O-N 3.23Å; H708-M934 VanDerWaalsContact CE1-CB 3.46Å; H708-M934 WeakPolarHBondContact CE1-CB 3.4Å; H708-D935 IonicContact CD2-OD1 2.79Å; H708-D935 IonicContact CE1-OD1 3.64Å; H708-D935 IonicContact NE2-OD1 3.63Å; H708-D935 PolarHBondContact NE2-OD1 3.37Å; H708-W938 HydrophobicContact CB-CB 4Å; H708-W938 HydrophobicContact CB-CD2 3.42Å; H708-W938 VanDerWaalsContact CB-CD2 3.42Å; H708-W938 HydrophobicContact CB-CE3 3.88Å; H708-W938 HydrophobicContact CB-CG 3.46Å; H708-W938 VanDerWaalsContact CB-CG 3.46Å; H708-W938 HydrophobicContact CB-CZ2 4.49Å; H708-W938 AromaticContact CD2-CG 3.99Å; H708-W938 WeakPolarHBondContact O-CZ2 3.22Å; H708-W938 PolarHBondContact O-NE1 2.92Å; H708-F1007 HydrophobicContact CB-CD1 3.86Å; H708-F1007 HydrophobicContact CB-CE1 3.93Å; H708-F1007 AromaticContact CG-CE1 3.67Å; H708-F1007 AromaticContact ND1-CD1 3.84Å; H708-F1007 AromaticContact ND1-CE1 3.54Å
709A98.3Very high97.8Very high23 Ų2326.7 Ų26.719%0.1914%0.137CC..Hα-helixtrans-65-27176.800000113.8D707 K716 W938D707-A709 PolarHBondContact O-N 3.48Å; D707-A709 VanDerWaalsContact O-N 3.11Å; A709-K716 WeakPolarHBondContact O-CE 3.23Å; A709-K716 PolarHBondContact O-NZ 3.27Å; A709-W938 VanDerWaalsContact CA-CH2 3.4Å; A709-W938 HydrophobicContact CB-CH2 3.64Å; A709-W938 HydrophobicContact CB-CZ2 4.27Å; A709-W938 HydrophobicContact CB-CZ3 4.18Å
710N98.2Very high97.8Very high75 Ų7526.6 Ų26.640%0.40114%0.137SC..Hα-helixtrans-95.3-44.2176172.564.1000111.9D707 H708 P713D707-N710 PolarHBondContact O-N 2.85Å; D707-N710 PolarHBondContact OD2-ND2 3.12Å; H708-N710 PolarHBondContact O-N 3.36Å; N710-P713 VanDerWaalsContact O-CD 3.27Å; N710-P713 WeakPolarHBondContact O-CD 3.35Å
711M98.4Very high97.7Very high5 Ų523 Ų233%0.02511%0.113CC..Hα-helixtrans-71.1-40.3-179.1-68.1-179.466.800113.3H572 Q575 F601 D707 P713 G820 K908H572-M711 HydrophobicContact CB-CE 4.35Å; H572-M711 HydrophobicContact CB-SD 4.02Å; Q575-M711 VanDerWaalsContact NE2-CG 3.27Å; Q575-M711 PolarHBondContact NE2-SD 2.75Å; Q575-M711 VanDerWaalsContact NE2-SD 3.42Å; F601-M711 HydrophobicContact CE1-CE 3.51Å; F601-M711 HydrophobicContact CE1-SD 4.15Å; F601-M711 HydrophobicContact CZ-CE 3.74Å; D707-M711 HydrophobicContact CB-CG 4.31Å; D707-M711 HydrophobicContact CB-SD 4.29Å; D707-M711 PolarHBondContact O-N 3.21Å; M711-P713 WeakPolarHBondContact O-CD 3.33Å; M711-G820 WeakPolarHBondContact CE-O 3.48Å; M711-K908 HydrophobicContact CE-CG 4.49Å
712F98.6Very high97.4Very high0 Ų021.3 Ų21.30%011%0.107CC..  trans-126.152-171.8-43.5-60.7000113.2H708 H714 L715 K908 E909 V912 W938H708-F712 HydrophobicContact CB-CD2 4.06Å; H708-F712 AromaticContact CD2-CD2 3.93Å; H708-F712 AromaticContact CD2-CE2 3.93Å; H708-F712 CarbonylContact O-C 3.51Å; H708-F712 WeakPolarHBondContact O-CA 3.34Å; H708-F712 PolarHBondContact O-N 3.23Å; F712-H714 WeakPolarHBondContact CA-ND1 3.34Å; F712-H714 PolarHBondContact O-N 3.42Å; F712-L715 HydrophobicContact CB-CD1 3.88Å; F712-L715 HydrophobicContact CB-CG 4.06Å; F712-L715 HydrophobicContact CG-CD1 4.46Å; F712-L715 PolarHBondContact O-N 2.86Å; F712-L715 VanDerWaalsContact O-N 3.09Å; F712-K908 HydrophobicContact CZ-CG 3.88Å; F712-E909 HydrophobicContact CD1-CB 4.39Å; F712-E909 HydrophobicContact CD1-CG 4.19Å; F712-E909 HydrophobicContact CE1-CB 4.02Å; F712-E909 HydrophobicContact CE1-CG 4.32Å; F712-V912 HydrophobicContact CD2-CB 4.42Å; F712-V912 HydrophobicContact CD2-CG1 4.09Å; F712-V912 HydrophobicContact CD2-CG2 4.24Å; F712-V912 HydrophobicContact CE2-CB 4.36Å; F712-V912 HydrophobicContact CE2-CG1 4.42Å; F712-V912 HydrophobicContact CE2-CG2 3.74Å; F712-V912 HydrophobicContact CZ-CG2 4.08Å; F712-W938 PolarHBondContact O-NE1 3.01Å
713P98.3Very high96.5Very high30 Ų3023.9 Ų23.920%0.19512%0.117CC..G310 helixtrans-66.8-23.8-17928.3-34.4000112.3N710 M711 L715 K716 I739 V823N710-P713 VanDerWaalsContact O-CD 3.27Å; N710-P713 WeakPolarHBondContact O-CD 3.35Å; M711-P713 WeakPolarHBondContact O-CD 3.33Å; P713-L715 PolarHBondContact O-N 3.01Å; P713-K716 HydrophobicContact CB-CD 4.43Å; P713-K716 VanDerWaalsContact O-CB 3.29Å; P713-K716 WeakPolarHBondContact O-CB 3.32Å; P713-K716 WeakPolarHBondContact O-CG 3.4Å; P713-K716 PolarHBondContact O-N 3.28Å; P713-I739 HydrophobicContact CB-CD1 4.42Å; P713-I739 HydrophobicContact CG-CD1 4.2Å; P713-V823 HydrophobicContact CG-CB 4.38Å; P713-V823 HydrophobicContact CG-CG1 3.76Å; P713-V823 HydrophobicContact CG-CG2 3.64Å
714H98.2Very high95Very high3 Ų331.6 Ų31.61%0.01415%0.151CC..G310 helixtrans-63.2-19.9173.464.9-59.8000113F712 I739 E909F712-H714 WeakPolarHBondContact CA-ND1 3.34Å; F712-H714 PolarHBondContact O-N 3.42Å; H714-I739 HydrophobicContact CB-CD1 4.06Å; H714-I739 HydrophobicContact CB-CG1 4.34Å; H714-E909 IonicContact CD2-OE1 3.28Å; H714-E909 IonicContact CE1-OE1 2.82Å; H714-E909 IonicContact NE2-OE1 3.43Å; H714-E909 PolarHBondContact NE2-OE1 3.31Å
715L98.3Very high93.3Very high0 Ų032.1 Ų32.10%016%0.155CC..G310 helixtrans-88.4-0.7174.9-52.6-175.5000113.3F712 P713 K717 N737 V912 R913 W998 R1001F712-L715 HydrophobicContact CB-CD1 3.88Å; F712-L715 HydrophobicContact CB-CG 4.06Å; F712-L715 HydrophobicContact CG-CD1 4.46Å; F712-L715 PolarHBondContact O-N 2.86Å; F712-L715 VanDerWaalsContact O-N 3.09Å; P713-L715 PolarHBondContact O-N 3.01Å; L715-K717 PolarHBondContact O-N 3.47Å; L715-N737 HydrophobicContact CD2-CB 3.76Å; L715-V912 HydrophobicContact CD1-CB 4.41Å; L715-V912 HydrophobicContact CD1-CG1 3.73Å; L715-R913 HydrophobicContact CD1-CB 4.21Å; L715-R913 HydrophobicContact CD2-CB 4.08Å; L715-R913 HydrophobicContact CD2-CG 3.97Å; L715-W998 WeakPolarHBondContact O-CH2 3.25Å; L715-R1001 PolarHBondContact O-NH1 3.01Å; L715-R1001 PolarHBondContact O-NH2 3.48Å
716K96.2Very high91.8Very high89 Ų8940.1 Ų40.139%0.38720%0.198SC..G310 helixtrans-64.2-26.9174.5-72.8177.5-178.9161.40112.5A709 P713 W938 R1001 I1002A709-K716 WeakPolarHBondContact O-CE 3.23Å; A709-K716 PolarHBondContact O-NZ 3.27Å; P713-K716 HydrophobicContact CB-CD 4.43Å; P713-K716 VanDerWaalsContact O-CB 3.29Å; P713-K716 WeakPolarHBondContact O-CB 3.32Å; P713-K716 WeakPolarHBondContact O-CG 3.4Å; P713-K716 PolarHBondContact O-N 3.28Å; K716-W938 HydrophobicContact CG-CH2 4.18Å; K716-W938 HydrophobicContact CG-CZ2 3.88Å; K716-R1001 PolarHBondContact O-NH2 3.05Å; K716-R1001 VanDerWaalsContact O-NH2 3.14Å; K716-I1002 HydrophobicContact CG-CD1 4.12Å
717K94.2Very high90.5Very high147 Ų14743.5 Ų43.564%0.63923%0.233SC*.SBendtrans-129.1151.6175.9-65.3-178.7-178.1176.80109.6L715 N737L715-K717 PolarHBondContact O-N 3.47Å; K717-N737 PolarHBondContact O-ND2 2.98Å
718K96.4Very high89.5Confident8 Ų849.6 Ų49.64%0.03526%0.261CS..  trans-138.9152173.668.7179.1176.9175.30110.4D731 V735 L736 P775 W998K718-D731 WeakPolarHBondContact CE-O 3.46Å; K718-D731 PolarHBondContact NZ-O 2.67Å; K718-D731 IonicContact NZ-OD2 3.5Å; K718-D731 PolarHBondContact NZ-OD2 2.92Å; K718-V735 HydrophobicContact CB-CG1 3.87Å; K718-V735 HydrophobicContact CD-CG1 4.2Å; K718-L736 WeakPolarHBondContact CA-O 3.34Å; K718-P775 WeakPolarHBondContact O-CD 3.44Å; K718-W998 HydrophobicContact CB-CH2 3.92Å; K718-W998 HydrophobicContact CB-CZ2 4.28Å; K718-W998 HydrophobicContact CD-CE3 4.48Å; K718-W998 HydrophobicContact CD-CH2 3.67Å; K718-W998 HydrophobicContact CD-CZ2 4.15Å; K718-W998 HydrophobicContact CD-CZ3 3.85Å; K718-W998 HydrophobicContact CG-CH2 3.65Å; K718-W998 HydrophobicContact CG-CZ2 3.77Å; K718-W998 HydrophobicContact CG-CZ3 4.34Å
719A97.1Very high88.9Confident0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-122.4162.9164.500000109.2V735 L736 L741 L745 P775A719-V735 WeakPolarHBondContact O-CA 3.45Å; A719-L736 HydrophobicContact CB-CB 4.41Å; A719-L736 PolarHBondContact N-O 3.41Å; A719-L736 PolarHBondContact O-N 2.93Å; A719-L741 HydrophobicContact CB-CD1 4.2Å; A719-L741 HydrophobicContact CB-CD2 4.07Å; A719-L741 HydrophobicContact CB-CG 4.46Å; A719-L745 HydrophobicContact CB-CD1 4.04Å; A719-L745 HydrophobicContact CB-CD2 3.94Å; A719-L745 HydrophobicContact CB-CG 4.5Å; A719-P775 WeakPolarHBondContact CA-O 3.36Å; A719-P775 HydrophobicContact CB-CB 4.03Å
720V96.6Very high88.6Confident1 Ų154.8 Ų54.81%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-130.9154.5178.9-62.70000112I729 I734 V735 M774 P775 V776 I777V720-I729 HydrophobicContact CG2-CG2 4.36Å; V720-I734 WeakPolarHBondContact CA-O 3.43Å; V720-I734 WeakPolarHBondContact CB-O 3.49Å; V720-V735 HydrophobicContact CG1-CG2 4.48Å; V720-M774 HydrophobicContact CG1-SD 3.95Å; V720-M774 HydrophobicContact CG2-CE 3.71Å; V720-M774 HydrophobicContact CG2-CG 4.37Å; V720-M774 HydrophobicContact CG2-SD 4.07Å; V720-P775 PolarHBondContact N-O 3.43Å; V720-V776 HydrophobicContact CG2-CB 4.34Å; V720-V776 HydrophobicContact CG2-CG1 4.25Å; V720-V776 HydrophobicContact CG2-CG2 3.86Å; V720-V776 CarbonylContact O-C 3.58Å; V720-V776 WeakPolarHBondContact O-CA 3.32Å; V720-I777 PolarHBondContact O-N 2.9Å
721I95.3Very high88.4Confident7 Ų752.6 Ų52.64%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-97.4129.7168.1-69.3171.3000108.7F723 I734 L736 I777 A783 V786 I787I721-F723 PolarHBondContact O-N 2.9Å; I721-I734 HydrophobicContact CB-CB 4.07Å; I721-I734 HydrophobicContact CB-CD1 4.38Å; I721-I734 HydrophobicContact CB-CG2 3.8Å; I721-I734 HydrophobicContact CD1-CG2 3.83Å; I721-I734 HydrophobicContact CG1-CG2 4.08Å; I721-I734 HydrophobicContact CG2-CD1 4.35Å; I721-I734 PolarHBondContact N-O 3.24Å; I721-L736 HydrophobicContact CD1-CD1 4.03Å; I721-L736 HydrophobicContact CG1-CD1 3.84Å; I721-I777 HydrophobicContact CG1-CB 4.05Å; I721-I777 HydrophobicContact CG1-CD1 4.22Å; I721-I777 HydrophobicContact CG1-CG2 4.43Å; I721-A783 HydrophobicContact CD1-CB 4.32Å; I721-A783 HydrophobicContact CG1-CB 4.45Å; I721-A783 HydrophobicContact CG2-CB 3.67Å; I721-V786 HydrophobicContact CD1-CB 3.87Å; I721-V786 HydrophobicContact CD1-CG1 3.66Å; I721-V786 HydrophobicContact CD1-CG2 4.39Å; I721-I787 HydrophobicContact CG2-CD1 4.25Å
722D90.7Very high88.3Confident42 Ų4252.4 Ų52.423%0.22527%0.267CS..  trans-78.497.2176.6-170.510.7000110.6S725 V776 I777D722-S725 WeakPolarHBondContact OD1-CB 3.27Å; D722-S725 PolarHBondContact OD1-OG 3.33Å; D722-S725 PolarHBondContact OD2-OG 3.34Å; D722-V776 HydrophobicContact CB-CG1 3.77Å; D722-I777 PolarHBondContact N-O 3.18Å
723F81.3Confident88.2Confident57 Ų5753.4 Ų53.425%0.2527%0.271CS..  trans-117.1123.8-178.5-178.1-107.7000111.3I721 S725 I734 M779 I787I721-F723 PolarHBondContact O-N 2.9Å; F723-S725 PolarHBondContact O-N 3.29Å; F723-S725 VanDerWaalsContact O-N 3.16Å; F723-I734 HydrophobicContact CB-CD1 3.76Å; F723-I734 HydrophobicContact CD1-CD1 4.5Å; F723-I734 HydrophobicContact CG-CD1 4.16Å; F723-M779 HydrophobicContact CD2-CE 4.13Å; F723-M779 HydrophobicContact CD2-SD 4.11Å; F723-M779 HydrophobicContact CE2-CE 4.32Å; F723-I787 HydrophobicContact CD2-CD1 3.72Å; F723-I787 HydrophobicContact CE2-CD1 4.14Å; F723-I787 HydrophobicContact CG-CD1 4.39Å
724K66.9Low88.1Confident168 Ų16852.5 Ų52.573%0.7326%0.264SS*.SBendtrans50.239.4173.7-64-176.5177.8171.80114.2N726K724-N726 PolarHBondContact O-N 2.96Å
725S63.1Low88.1Confident17 Ų1752.3 Ų52.312%0.11926%0.263CS..  trans-76.6-19-169.244.60000115.9D722 F723 G727 H728D722-S725 WeakPolarHBondContact OD1-CB 3.27Å; D722-S725 PolarHBondContact OD1-OG 3.33Å; D722-S725 PolarHBondContact OD2-OG 3.34Å; F723-S725 PolarHBondContact O-N 3.29Å; F723-S725 VanDerWaalsContact O-N 3.16Å; S725-G727 PolarHBondContact O-N 3.29Å; S725-H728 WeakPolarHBondContact CB-O 3.47Å; S725-H728 WeakPolarHBondContact O-CB 3.32Å; S725-H728 PolarHBondContact O-N 2.99Å
726N66.8Low88.2Confident169 Ų16952.3 Ų52.390%0.90426%0.263SS*.THydrogen-bonded Turntrans4532.5-166.9-73.1-10.4000112.5K724K724-N726 PolarHBondContact O-N 2.96Å
727G70.5Confident88.3Confident70 Ų7048.1 Ų48.172%0.72225%0.245SC*.THydrogen-bonded Turntrans93.2-8.3-175.900000116.3S725S725-G727 PolarHBondContact O-N 3.29Å
728H78.3Confident88.4Confident130 Ų13041.4 Ų41.460%0.60222%0.218SC*.  trans-95.7109.1175.6-80.9-72.9000113.2S725 Y730S725-H728 WeakPolarHBondContact CB-O 3.47Å; S725-H728 WeakPolarHBondContact O-CB 3.32Å; S725-H728 PolarHBondContact O-N 2.99Å; H728-Y730 WeakPolarHBondContact O-CD2 3.5Å; H728-Y730 PolarHBondContact O-N 3.25Å
729I85.6Confident88.4Confident51 Ų5145.5 Ų45.526%0.26224%0.239SC..  trans-78.6115175.4-60.8171.6000109.7V720 K752 V754 M774 V776V720-I729 HydrophobicContact CG2-CG2 4.36Å; I729-K752 HydrophobicContact CD1-CD 4.32Å; I729-V754 HydrophobicContact CD1-CG2 3.68Å; I729-M774 HydrophobicContact CG2-CE 3.84Å; I729-V776 HydrophobicContact CD1-CG1 4.42Å; I729-V776 HydrophobicContact CD1-CG2 4.35Å; I729-V776 HydrophobicContact CG2-CG1 4.17Å; I729-V776 HydrophobicContact CG2-CG2 3.74Å
730Y91.9Very high88.4Confident82 Ų8249.4 Ų49.432%0.32226%0.26SS..  trans-88.2146.6174.8-60.2-74.5000111.9H728 R733H728-Y730 WeakPolarHBondContact O-CD2 3.5Å; H728-Y730 PolarHBondContact O-N 3.25Å; Y730-R733 HydrophobicContact CD2-CG 4.09Å; Y730-R733 HydrophobicContact CG-CG 3.91Å
731D94.3Very high88.3Confident29 Ų2949.7 Ų49.716%0.15526%0.261CS..SBendtrans-99.54.6-175.282-48000114.4K718 M774 R994K718-D731 WeakPolarHBondContact CE-O 3.46Å; K718-D731 PolarHBondContact NZ-O 2.67Å; K718-D731 IonicContact NZ-OD2 3.5Å; K718-D731 PolarHBondContact NZ-OD2 2.92Å; D731-M774 HydrophobicContact CB-CE 3.99Å; D731-M774 HydrophobicContact CB-SD 3.53Å; D731-M774 VanDerWaalsContact CB-SD 3.53Å; D731-R994 IonicContact OD1-CZ 3.64Å; D731-R994 IonicContact OD1-NE 3.59Å; D731-R994 PolarHBondContact OD1-NE 3.22Å; D731-R994 VanDerWaalsContact OD1-NE 3.13Å; D731-R994 IonicContact OD1-NH2 3.24Å; D731-R994 PolarHBondContact OD1-NH2 3.46Å; D731-R994 IonicContact OD2-CZ 2.93Å; D731-R994 IonicContact OD2-NE 2.66Å; D731-R994 PolarHBondContact OD2-NE 2.96Å; D731-R994 IonicContact OD2-NH2 3.4Å; D731-R994 PolarHBondContact OD2-NH2 3.19Å
732N96.6Very high88.3Confident1 Ų155.5 Ų55.51%0.00529%0.286CS..SBendtrans-157.122-162.557.4-13000114.6Q916 L917 A918 D919N732-Q916 WeakPolarHBondContact CB-O 3.32Å; N732-L917 WeakPolarHBondContact O-CA 3.22Å; N732-L917 WeakPolarHBondContact O-CD2 3.49Å; N732-A918 PolarHBondContact ND2-O 2.93Å; N732-D919 PolarHBondContact ND2-OD1 3.4Å
733R95.6Very high88.6Confident21 Ų2155.8 Ų55.88%0.07929%0.294CS..SBendtrans-96.3-55.2177.6-74.317.9179.8-168.41.1111.3Y730 T831 R832 E839 A841 D919Y730-R733 HydrophobicContact CD2-CG 4.09Å; Y730-R733 HydrophobicContact CG-CG 3.91Å; R733-T831 CarbonylContact O-C 3.29Å; R733-T831 VanDerWaalsContact O-CA 3.24Å; R733-T831 WeakPolarHBondContact O-CA 3.29Å; R733-R832 PolarHBondContact O-N 3.35Å; R733-E839 PolarHBondContact NE-O 3.4Å; R733-E839 VanDerWaalsContact NE-O 3.12Å; R733-A841 PolarHBondContact NH2-O 3Å; R733-D919 IonicContact CZ-OD1 3.21Å; R733-D919 IonicContact NH1-OD1 2.81Å; R733-D919 PolarHBondContact NH1-OD1 2.64Å; R733-D919 IonicContact NH1-OD2 2.65Å
734I97.2Very high89.4Confident10 Ų1053.1 Ų53.15%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-128.4108.1173.2-58172.7000107V720 I721 F723 I787 V829 T831V720-I734 WeakPolarHBondContact CA-O 3.43Å; V720-I734 WeakPolarHBondContact CB-O 3.49Å; I721-I734 HydrophobicContact CB-CB 4.07Å; I721-I734 HydrophobicContact CB-CD1 4.38Å; I721-I734 HydrophobicContact CB-CG2 3.8Å; I721-I734 HydrophobicContact CD1-CG2 3.83Å; I721-I734 HydrophobicContact CG1-CG2 4.08Å; I721-I734 HydrophobicContact CG2-CD1 4.35Å; I721-I734 PolarHBondContact N-O 3.24Å; F723-I734 HydrophobicContact CB-CD1 3.76Å; F723-I734 HydrophobicContact CD1-CD1 4.5Å; F723-I734 HydrophobicContact CG-CD1 4.16Å; I734-I787 HydrophobicContact CD1-CD1 4.01Å; I734-I787 HydrophobicContact CD1-CG1 3.96Å; I734-V829 HydrophobicContact CG2-CG1 4.3Å; I734-T831 HydrophobicContact CB-CG2 4.36Å; I734-T831 HydrophobicContact CG1-CG2 4.12Å; I734-T831 HydrophobicContact CG2-CG2 3.99Å
735V98.2Very high90.7Very high0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-115.9136.8-170.6-173.20000110.1K718 A719 V720 V829 T830 L917K718-V735 HydrophobicContact CB-CG1 3.87Å; K718-V735 HydrophobicContact CD-CG1 4.2Å; A719-V735 WeakPolarHBondContact O-CA 3.45Å; V720-V735 HydrophobicContact CG1-CG2 4.48Å; V735-V829 WeakPolarHBondContact O-CA 3.48Å; V735-T830 PolarHBondContact N-O 3.35Å; V735-T830 PolarHBondContact O-N 3.06Å; V735-L917 HydrophobicContact CG2-CD2 4.16Å
736L98.5Very high92.3Very high0 Ų050.3 Ų50.30%027%0.274CS..EExtended strand (participates in β ladder)trans-116.5131.8174.6-6587.1000109.6K718 A719 I721 L741 F744 I777 I827 I828 V829K718-L736 WeakPolarHBondContact CA-O 3.34Å; A719-L736 HydrophobicContact CB-CB 4.41Å; A719-L736 PolarHBondContact N-O 3.41Å; A719-L736 PolarHBondContact O-N 2.93Å; I721-L736 HydrophobicContact CD1-CD1 4.03Å; I721-L736 HydrophobicContact CG1-CD1 3.84Å; L736-L741 HydrophobicContact CB-CD1 3.93Å; L736-L741 WeakPolarHBondContact O-CD2 3.26Å; L736-F744 HydrophobicContact CD2-CE1 3.93Å; L736-I777 HydrophobicContact CD1-CD1 4.34Å; L736-I777 HydrophobicContact CD2-CD1 4.12Å; L736-I827 HydrophobicContact CB-CG2 4.23Å; L736-I827 HydrophobicContact CD2-CG2 4.16Å; L736-I828 WeakPolarHBondContact CA-O 3.2Å; L736-V829 HydrophobicContact CD2-CG2 4.27Å; L736-V829 HydrophobicContact CG-CG2 4.2Å
737N98.6Very high93.7Very high0 Ų044.3 Ų44.30%025%0.246CC..EExtended strand (participates in β ladder)trans-132.1148.1175.1-59.3102000109.8L715 K717 I827 I828 Q916L715-N737 HydrophobicContact CD2-CB 3.76Å; K717-N737 PolarHBondContact O-ND2 2.98Å; N737-I827 CarbonylContact O-C 3.59Å; N737-I827 WeakPolarHBondContact O-CA 3.43Å; N737-I828 PolarHBondContact N-O 3.36Å; N737-I828 PolarHBondContact O-N 2.9Å; N737-Q916 PolarHBondContact ND2-OE1 3.49Å; N737-Q916 PolarHBondContact OD1-NE2 3.38Å; N737-Q916 PolarHBondContact OD1-OE1 2.91Å
738G97.2Very high94.9Very high7 Ų741.7 Ų41.77%0.07222%0.215CC..  trans170.9153.2178.400000111.5D740 L741G738-D740 VanDerWaalsContact C-N 3.32Å; G738-L741 WeakPolarHBondContact O-CB 3.35Å; G738-L741 PolarHBondContact O-N 3.29Å
739I96.9Very high95.5Very high93 Ų9339 Ų3948%0.47721%0.209SC..THydrogen-bonded Turntrans-62.7-44175.1-61.4-58.8000110.3P713 H714 L741 V823P713-I739 HydrophobicContact CB-CD1 4.42Å; P713-I739 HydrophobicContact CG-CD1 4.2Å; H714-I739 HydrophobicContact CB-CD1 4.06Å; H714-I739 HydrophobicContact CB-CG1 4.34Å; I739-L741 VanDerWaalsContact C-N 3.25Å; I739-L741 PolarHBondContact O-N 3.07Å; I739-V823 HydrophobicContact CD1-CG1 3.9Å; I739-V823 HydrophobicContact CG1-CG1 3.83Å
740D95.9Very high95.7Very high83 Ų8343 Ų4344%0.44423%0.231SC..THydrogen-bonded Turntrans-87.113.5179.8-56.7-49.5000113.7G738 K742 A743 F744 F802G738-D740 VanDerWaalsContact C-N 3.32Å; D740-K742 PolarHBondContact O-N 3.32Å; D740-A743 PolarHBondContact O-N 3.45Å; D740-A743 VanDerWaalsContact O-N 3.1Å; D740-F744 PolarHBondContact O-N 3.33Å; D740-F802 HydrophobicContact CB-CD1 4.45Å; D740-F802 HydrophobicContact CB-CE1 4.33Å
741L95.8Very high95.7Very high6 Ų640.9 Ų40.93%0.03123%0.226CC..Hα-helixtrans-56.9-38.7-176.2-179.464.8000112A719 L736 G738 I739 F744 L745 I827A719-L741 HydrophobicContact CB-CD1 4.2Å; A719-L741 HydrophobicContact CB-CD2 4.07Å; A719-L741 HydrophobicContact CB-CG 4.46Å; L736-L741 HydrophobicContact CB-CD1 3.93Å; L736-L741 WeakPolarHBondContact O-CD2 3.26Å; G738-L741 WeakPolarHBondContact O-CB 3.35Å; G738-L741 PolarHBondContact O-N 3.29Å; I739-L741 VanDerWaalsContact C-N 3.25Å; I739-L741 PolarHBondContact O-N 3.07Å; L741-F744 HydrophobicContact CD1-CD1 4.27Å; L741-F744 PolarHBondContact O-N 2.96Å; L741-L745 HydrophobicContact CD1-CD1 4.35Å; L741-L745 HydrophobicContact CD1-CG 4.31Å; L741-L745 HydrophobicContact CG-CD1 3.97Å; L741-L745 HydrophobicContact CG-CG 4.38Å; L741-L745 WeakPolarHBondContact O-CB 3.3Å; L741-L745 WeakPolarHBondContact O-CD1 3.28Å; L741-L745 WeakPolarHBondContact O-CG 3.21Å; L741-L745 PolarHBondContact O-N 3.49Å; L741-I827 HydrophobicContact CD1-CG2 4.11Å
742K94.9Very high95.6Very high130 Ų13045.7 Ų45.757%0.56525%0.246SC*.Hα-helixtrans-63-48.2177.5-173.9-173.9177.8-62.80111.5D740 F744 L745 D746D740-K742 PolarHBondContact O-N 3.32Å; K742-F744 VanDerWaalsContact C-N 3.28Å; K742-F744 PolarHBondContact O-N 3.29Å; K742-L745 PolarHBondContact O-N 2.89Å; K742-D746 IonicContact NZ-OD1 3.72Å; K742-D746 IonicContact NZ-OD2 2.64Å; K742-D746 PolarHBondContact NZ-OD2 3.06Å; K742-D746 PolarHBondContact O-N 3.23Å
743A96.5Very high95.4Very high47 Ų4750.1 Ų50.139%0.38827%0.268SS..Hα-helixtrans-63.2-37.7-179.800000111.5D740 S747 F802D740-A743 PolarHBondContact O-N 3.45Å; D740-A743 VanDerWaalsContact O-N 3.1Å; A743-S747 PolarHBondContact O-N 3.39Å; A743-F802 HydrophobicContact CB-CE1 3.87Å; A743-F802 HydrophobicContact CB-CZ 3.89Å
744F97.3Very high95Very high1 Ų150.4 Ų50.40%0.00427%0.273CS..Hα-helixtrans-61.6-50.4172.2170.2-113.9000111.9L736 D740 L741 K742 D746 S747 L748 I777 I782 I799 F802 I804 I827L736-F744 HydrophobicContact CD2-CE1 3.93Å; D740-F744 PolarHBondContact O-N 3.33Å; L741-F744 HydrophobicContact CD1-CD1 4.27Å; L741-F744 PolarHBondContact O-N 2.96Å; K742-F744 VanDerWaalsContact C-N 3.28Å; K742-F744 PolarHBondContact O-N 3.29Å; F744-D746 VanDerWaalsContact C-N 3.32Å; F744-D746 PolarHBondContact O-N 3.32Å; F744-S747 WeakPolarHBondContact O-CA 3.32Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.02Å; F744-S747 PolarHBondContact O-OG 2.9Å; F744-L748 HydrophobicContact CD1-CD1 4.38Å; F744-L748 HydrophobicContact CD2-CD2 4.49Å; F744-L748 HydrophobicContact CE1-CD1 3.83Å; F744-L748 HydrophobicContact CE2-CD1 4.39Å; F744-L748 HydrophobicContact CE2-CD2 3.91Å; F744-L748 HydrophobicContact CE2-CG 4.42Å; F744-L748 HydrophobicContact CZ-CD1 3.84Å; F744-L748 HydrophobicContact CZ-CD2 4.07Å; F744-L748 HydrophobicContact CZ-CG 4.36Å; F744-L748 WeakPolarHBondContact O-CG 3.34Å; F744-I777 HydrophobicContact CE1-CD1 4.09Å; F744-I782 HydrophobicContact CZ-CG2 4.46Å; F744-I799 HydrophobicContact CE2-CB 4.07Å; F744-I799 HydrophobicContact CE2-CG2 3.97Å; F744-F802 HydrophobicContact CB-CD1 3.96Å; F744-F802 HydrophobicContact CB-CD2 4.21Å; F744-F802 HydrophobicContact CB-CE1 4.18Å; F744-F802 HydrophobicContact CB-CE2 4.42Å; F744-F802 HydrophobicContact CB-CG 3.98Å; F744-F802 HydrophobicContact CB-CZ 4.41Å; F744-F802 HydrophobicContact CD2-CB 3.93Å; F744-F802 AromaticContact CD2-CD2 3.83Å; F744-F802 HydrophobicContact CD2-CD2 3.83Å; F744-F802 AromaticContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CG-CG 4.4Å; F744-I804 HydrophobicContact CD2-CD1 4.11Å; F744-I804 HydrophobicContact CE1-CD1 4.32Å; F744-I804 HydrophobicContact CE2-CD1 3.86Å; F744-I804 HydrophobicContact CG-CD1 4.45Å; F744-I804 HydrophobicContact CZ-CD1 3.96Å; F744-I827 HydrophobicContact CB-CD1 3.19Å; F744-I827 HydrophobicContact CD1-CD1 3.74Å; F744-I827 HydrophobicContact CD2-CD1 4.23Å; F744-I827 HydrophobicContact CG-CD1 3.46Å; F744-I827 VanDerWaalsContact CG-CD1 3.46Å
745L95.8Very high94.4Very high15 Ų1557.9 Ų57.98%0.07931%0.305CS..Hα-helixtrans-60.7-39.4179.1-68.4165.6000112.5A719 L741 K742 S747 L748 V751 P775 I777A719-L745 HydrophobicContact CB-CD1 4.04Å; A719-L745 HydrophobicContact CB-CD2 3.94Å; A719-L745 HydrophobicContact CB-CG 4.5Å; L741-L745 HydrophobicContact CD1-CD1 4.35Å; L741-L745 HydrophobicContact CD1-CG 4.31Å; L741-L745 HydrophobicContact CG-CD1 3.97Å; L741-L745 HydrophobicContact CG-CG 4.38Å; L741-L745 WeakPolarHBondContact O-CB 3.3Å; L741-L745 WeakPolarHBondContact O-CD1 3.28Å; L741-L745 WeakPolarHBondContact O-CG 3.21Å; L741-L745 PolarHBondContact O-N 3.49Å; K742-L745 PolarHBondContact O-N 2.89Å; L745-S747 PolarHBondContact O-N 3.21Å; L745-L748 HydrophobicContact CD2-CD1 4.39Å; L745-L748 WeakPolarHBondContact O-CB 3.19Å; L745-L748 PolarHBondContact O-N 3.27Å; L745-V751 HydrophobicContact CD2-CG1 4.22Å; L745-V751 HydrophobicContact CD2-CG2 4.42Å; L745-P775 HydrophobicContact CD1-CB 3.56Å; L745-P775 HydrophobicContact CD1-CG 3.59Å; L745-P775 HydrophobicContact CD2-CB 4.11Å; L745-P775 HydrophobicContact CG-CB 4.43Å; L745-I777 HydrophobicContact CD2-CD1 3.98Å; L745-I777 HydrophobicContact CD2-CG1 3.85Å
746D95.5Very high93.4Very high111 Ų11159.4 Ų59.459%0.59431%0.312SS*.Hα-helixtrans-65.3-20.2176.5-65.4-21.1000112.2K742 F744 L748K742-D746 IonicContact NZ-OD1 3.72Å; K742-D746 IonicContact NZ-OD2 2.64Å; K742-D746 PolarHBondContact NZ-OD2 3.06Å; K742-D746 PolarHBondContact O-N 3.23Å; F744-D746 VanDerWaalsContact C-N 3.32Å; F744-D746 PolarHBondContact O-N 3.32Å; D746-L748 VanDerWaalsContact C-N 3.35Å
747S95.8Very high92.1Very high44 Ų4465 Ų6531%0.30834%0.337SS..THydrogen-bonded Turntrans-83.1-9.4174.2850000113.8A743 F744 L745 N800A743-S747 PolarHBondContact O-N 3.39Å; F744-S747 WeakPolarHBondContact O-CA 3.32Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.02Å; F744-S747 PolarHBondContact O-OG 2.9Å; L745-S747 PolarHBondContact O-N 3.21Å; S747-N800 PolarHBondContact O-ND2 3.28Å; S747-N800 VanDerWaalsContact O-ND2 3.13Å; S747-N800 PolarHBondContact OG-ND2 2.85Å; S747-N800 VanDerWaalsContact OG-ND2 3.12Å
748L95.6Very high90.5Very high15 Ų1567 Ų678%0.07935%0.35CS..SBendtrans-97.2141-175.9-56.1-175.8000111.3F744 L745 D746 V751 I777 I782F744-L748 HydrophobicContact CD1-CD1 4.38Å; F744-L748 HydrophobicContact CD2-CD2 4.49Å; F744-L748 HydrophobicContact CE1-CD1 3.83Å; F744-L748 HydrophobicContact CE2-CD1 4.39Å; F744-L748 HydrophobicContact CE2-CD2 3.91Å; F744-L748 HydrophobicContact CE2-CG 4.42Å; F744-L748 HydrophobicContact CZ-CD1 3.84Å; F744-L748 HydrophobicContact CZ-CD2 4.07Å; F744-L748 HydrophobicContact CZ-CG 4.36Å; F744-L748 WeakPolarHBondContact O-CG 3.34Å; L745-L748 HydrophobicContact CD2-CD1 4.39Å; L745-L748 WeakPolarHBondContact O-CB 3.19Å; L745-L748 PolarHBondContact O-N 3.27Å; D746-L748 VanDerWaalsContact C-N 3.35Å; L748-V751 HydrophobicContact CB-CG2 3.67Å; L748-V751 HydrophobicContact CD1-CG2 4.31Å; L748-I777 HydrophobicContact CD1-CD1 3.72Å; L748-I777 HydrophobicContact CD1-CG1 3.91Å; L748-I777 HydrophobicContact CD1-CG2 4.22Å; L748-I782 HydrophobicContact CD1-CG2 4.48Å; L748-I782 HydrophobicContact CD2-CD1 3.46Å; L748-I782 VanDerWaalsContact CD2-CD1 3.46Å; L748-I782 HydrophobicContact CD2-CG2 3.91Å
749P91.5Very high88.5Confident72 Ų7268.3 Ų68.347%0.46836%0.357SS..THydrogen-bonded Turntrans-70.3151.4168.130.9-33.8000111.1V751P749-V751 VanDerWaalsContact C-N 3.3Å; P749-V751 PolarHBondContact O-N 3.43Å; P749-V751 VanDerWaalsContact O-N 3.16Å
750D90Very high86.3Confident137 Ų13771 Ų7173%0.73337%0.373SS*.THydrogen-bonded Turntrans59.625.8164.5-52.1-46.8000117K752 P778D750-K752 PolarHBondContact O-N 3.22Å; D750-P778 HydrophobicContact CB-CG 4.12Å; D750-P778 WeakPolarHBondContact O-CD 3.47Å; D750-P778 WeakPolarHBondContact O-CG 3.27Å
751V92.9Very high83.6Confident36 Ų3670.1 Ų70.122%0.21838%0.383CS..PPolyproline II helixtrans-64.5117.9173.9-179.40000110.2L745 L748 P749 I753 P775L745-V751 HydrophobicContact CD2-CG1 4.22Å; L745-V751 HydrophobicContact CD2-CG2 4.42Å; L748-V751 HydrophobicContact CB-CG2 3.67Å; L748-V751 HydrophobicContact CD1-CG2 4.31Å; P749-V751 VanDerWaalsContact C-N 3.3Å; P749-V751 PolarHBondContact O-N 3.43Å; P749-V751 VanDerWaalsContact O-N 3.16Å; V751-I753 HydrophobicContact CG1-CD1 4.19Å; V751-P775 HydrophobicContact CG1-CB 3.89Å
752K92Very high80.6Confident130 Ų13073 Ų7357%0.56541%0.414SS*.EExtended strand (participates in β ladder)trans-86.8136.1176.8-177179.2179.2179.90110.2I729 D750 P775 V776I729-K752 HydrophobicContact CD1-CD 4.32Å; D750-K752 PolarHBondContact O-N 3.22Å; K752-P775 CarbonylContact O-C 3.27Å; K752-V776 HydrophobicContact CB-CB 4.34Å; K752-V776 PolarHBondContact N-O 3.11Å; K752-V776 PolarHBondContact O-N 2.93Å
753I90.9Very high77.5Confident94 Ų9475 Ų7548%0.48243%0.431SS..EExtended strand (participates in β ladder)trans-102.1117.1176.8-54.4-57.4000109.9V751 N773 P775V751-I753 HydrophobicContact CG1-CD1 4.19Å; I753-N773 HydrophobicContact CG2-CB 3.54Å; I753-P775 HydrophobicContact CD1-CB 4.02Å; I753-P775 HydrophobicContact CD1-CG 4.13Å
754V88.1Confident74.5Confident28 Ų2879.7 Ų79.717%0.1745%0.45CS..EExtended strand (participates in β ladder)trans-100.2124.2176.4178.50000109.7I729 N773 M774 V776I729-V754 HydrophobicContact CD1-CG2 3.68Å; V754-N773 CarbonylContact O-C 3.51Å; V754-N773 WeakPolarHBondContact O-CA 3.41Å; V754-M774 PolarHBondContact N-O 3.35Å; V754-M774 PolarHBondContact O-N 3.32Å; V754-V776 HydrophobicContact CB-CG2 4.35Å; V754-V776 HydrophobicContact CG2-CG2 3.61Å
755K84.3Confident71.2Confident167 Ų16784.3 Ų84.373%0.72649%0.488SS*.EExtended strand (participates in β ladder)trans-71129.7172.1-71.3-173.6178.9-178.20110
756M78.1Confident68.1Low31 Ų3191.4 Ų91.415%0.15353%0.526CS..PPolyproline II helixtrans-80.1129.4175.2-63.9-175.977.800110C758 L772 M774 W998M756-C758 PolarHBondContact O-N 3.42Å; M756-L772 HydrophobicContact CB-CB 4.21Å; M756-L772 PolarHBondContact N-O 2.9Å; M756-L772 HydrophobicContact SD-CB 4.48Å; M756-L772 HydrophobicContact SD-CD2 4.07Å; M756-M774 HydrophobicContact CG-CB 4.25Å; M756-M774 HydrophobicContact SD-CB 4.47Å; M756-W998 HydrophobicContact CE-CB 4.13Å; M756-W998 HydrophobicContact CE-CG 3.86Å; M756-W998 VanDerWaalsContact SD-CD1 3.58Å; M756-W998 HydrophobicContact SD-CG 4.36Å
757K70.6Confident65.2Low119 Ų11990.3 Ų90.352%0.51753%0.527SS..  trans-78.5109.7-179.6-147.9-179.2-169.9-174.90108.4E988K757-E988 IonicContact NZ-OE2 2.75Å; K757-E988 PolarHBondContact NZ-OE2 3.18Å
758C64.7Low62Low41 Ų4193.7 Ų93.728%0.27755%0.551SS.*  trans-108.9141.1173.3-660000109.4M756 D760 G995 K999M756-C758 PolarHBondContact O-N 3.42Å; C758-D760 PolarHBondContact O-N 3.16Å; C758-G995 PolarHBondContact SG-O 3.17Å; C758-K999 HydrophobicContact CB-CD 4.4Å
759P56.4Low59.1Low34 Ų34100.5 Ų100.522%0.22159%0.587CS.*  trans-62.9130.6171.7-3.813000111.3G761 K992 K996P759-G761 PolarHBondContact O-N 3.01Å; P759-K992 HydrophobicContact CG-CD 4.27Å; P759-K992 VanDerWaalsContact CG-CE 3.43Å; P759-K992 HydrophobicContact CG-CG 3.78Å; P759-K996 HydrophobicContact CG-CB 4.04Å; P759-K996 HydrophobicContact CG-CD 4.02Å; P759-K996 HydrophobicContact CG-CG 4.14Å
760D49.1Very low57Low150 Ų150101.7 Ų101.780%0.80259%0.593SS**  trans20.991154.8-49.6-34.8000116.7C758C758-D760 PolarHBondContact O-N 3.16Å
761G40.2Very low55.2Low65 Ų6598.3 Ų98.367%0.6759%0.585SS**  trans-85.8124.3131.700000105.7P759P759-G761 PolarHBondContact O-N 3.01Å
762G33.3Very low54.3Low66 Ų6698.9 Ų98.968%0.6859%0.586SS**  trans-51.6159.117600000111.8N764G762-N764 PolarHBondContact O-N 3.32Å
763D29.6Very low54Low171 Ų17197 Ų9791%0.91458%0.582SS**SBendtrans-59.852.2-179.8-69-46.6000114.5A765D763-A765 PolarHBondContact O-N 3.24Å
764N33.2Very low54.1Low147 Ų14793 Ų9379%0.78656%0.562SS**  trans-86.497.4159.1-81.4-7.6000107.3G762 D766G762-N764 PolarHBondContact O-N 3.32Å; N764-D766 PolarHBondContact O-N 2.95Å
765A28.6Very low54.4Low98 Ų9892.5 Ų92.581%0.8156%0.559SS**THydrogen-bonded Turntrans-65.219.4-176.300000115.8D763D763-A765 PolarHBondContact O-N 3.24Å
766D30.1Very low54.9Low164 Ų16484.7 Ų84.788%0.87753%0.525SS*.THydrogen-bonded Turntrans-113.715-172.7-91-13.1000115.6N764N764-D766 PolarHBondContact O-N 2.95Å
767S34.1Very low55.7Low87 Ų8783.3 Ų83.361%0.60852%0.518SS*.  trans-110.867.6169.162.90000112.3N769S767-N769 PolarHBondContact O-N 3.46Å
768S28.2Very low56.8Low115 Ų11579.4 Ų79.480%0.80451%0.505SS*.THydrogen-bonded Turntrans-68.623-177.164.20000115.8
769N35.6Very low58.1Low159 Ų15981.5 Ų81.585%0.8551%0.512SS*.THydrogen-bonded Turntrans-144.38.7-174.1-109.2-11.3000118.5S767S767-N769 PolarHBondContact O-N 3.46Å
770T46.6Very low59.7Low96 Ų9681.6 Ų81.659%0.58951%0.51SS*.  trans-126.533.9-171.834.30000115.5L772T770-L772 PolarHBondContact O-N 3.27Å
771A53.1Low61.8Low67 Ų6779.7 Ų79.755%0.55450%0.504SS*.  trans-69.6101.9166.400000109.6N773A771-N773 PolarHBondContact O-N 3.21Å
772L73.7Confident64.3Low48 Ų4878.1 Ų78.125%0.25148%0.48SS..  trans-61.6128.9174.6-104103.4000110.5M756 T770 W998 K999M756-L772 HydrophobicContact CB-CB 4.21Å; M756-L772 PolarHBondContact N-O 2.9Å; M756-L772 HydrophobicContact SD-CB 4.48Å; M756-L772 HydrophobicContact SD-CD2 4.07Å; T770-L772 PolarHBondContact O-N 3.27Å; L772-W998 HydrophobicContact CD2-CG 4.35Å; L772-K999 HydrophobicContact CD1-CB 4Å; L772-K999 HydrophobicContact CD1-CD 4.32Å; L772-K999 HydrophobicContact CD1-CG 3.86Å
773N86.3Confident67.2Low91 Ų9175 Ų7549%0.48745%0.448SS..EExtended strand (participates in β ladder)trans-129.8147-175.454.821.9000111.4I753 V754 A771I753-N773 HydrophobicContact CG2-CB 3.54Å; V754-N773 CarbonylContact O-C 3.51Å; V754-N773 WeakPolarHBondContact O-CA 3.41Å; A771-N773 PolarHBondContact O-N 3.21Å
774M91.8Very high70.3Confident9 Ų971.7 Ų71.74%0.04443%0.427CS..EExtended strand (participates in β ladder)trans-119.6109.8176.3-174.3179.273.200108.2V720 I729 D731 V754 M756 V776V720-M774 HydrophobicContact CG1-SD 3.95Å; V720-M774 HydrophobicContact CG2-CE 3.71Å; V720-M774 HydrophobicContact CG2-CG 4.37Å; V720-M774 HydrophobicContact CG2-SD 4.07Å; I729-M774 HydrophobicContact CG2-CE 3.84Å; D731-M774 HydrophobicContact CB-CE 3.99Å; D731-M774 HydrophobicContact CB-SD 3.53Å; D731-M774 VanDerWaalsContact CB-SD 3.53Å; V754-M774 PolarHBondContact N-O 3.35Å; V754-M774 PolarHBondContact O-N 3.32Å; M756-M774 HydrophobicContact CG-CB 4.25Å; M756-M774 HydrophobicContact SD-CB 4.47Å; M774-V776 HydrophobicContact CE-CG2 4.25Å
775P94.8Very high73.3Confident18 Ų1866.7 Ų66.712%0.11741%0.406CS..EExtended strand (participates in β ladder)trans-65.3139.2171.8-20.933.7000111.5K718 A719 V720 L745 V751 K752 I753K718-P775 WeakPolarHBondContact O-CD 3.44Å; A719-P775 WeakPolarHBondContact CA-O 3.36Å; A719-P775 HydrophobicContact CB-CB 4.03Å; V720-P775 PolarHBondContact N-O 3.43Å; L745-P775 HydrophobicContact CD1-CB 3.56Å; L745-P775 HydrophobicContact CD1-CG 3.59Å; L745-P775 HydrophobicContact CD2-CB 4.11Å; L745-P775 HydrophobicContact CG-CB 4.43Å; V751-P775 HydrophobicContact CG1-CB 3.89Å; K752-P775 CarbonylContact O-C 3.27Å; I753-P775 HydrophobicContact CD1-CB 4.02Å; I753-P775 HydrophobicContact CD1-CG 4.13Å
776V95.2Very high76.6Confident2 Ų262.1 Ų62.11%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-126.7116.3-178-175.70000108.4V720 D722 I729 K752 V754 M774V720-V776 HydrophobicContact CG2-CB 4.34Å; V720-V776 HydrophobicContact CG2-CG1 4.25Å; V720-V776 HydrophobicContact CG2-CG2 3.86Å; V720-V776 CarbonylContact O-C 3.58Å; V720-V776 WeakPolarHBondContact O-CA 3.32Å; D722-V776 HydrophobicContact CB-CG1 3.77Å; I729-V776 HydrophobicContact CD1-CG1 4.42Å; I729-V776 HydrophobicContact CD1-CG2 4.35Å; I729-V776 HydrophobicContact CG2-CG1 4.17Å; I729-V776 HydrophobicContact CG2-CG2 3.74Å; K752-V776 HydrophobicContact CB-CB 4.34Å; K752-V776 PolarHBondContact N-O 3.11Å; K752-V776 PolarHBondContact O-N 2.93Å; V754-V776 HydrophobicContact CB-CG2 4.35Å; V754-V776 HydrophobicContact CG2-CG2 3.61Å; M774-V776 HydrophobicContact CE-CG2 4.25Å
777I95.2Very high79.8Confident2 Ų255.3 Ų55.31%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-83.4117.7174.2-56.5172.8000106.8V720 I721 D722 L736 F744 L745 L748 A783V720-I777 PolarHBondContact O-N 2.9Å; I721-I777 HydrophobicContact CG1-CB 4.05Å; I721-I777 HydrophobicContact CG1-CD1 4.22Å; I721-I777 HydrophobicContact CG1-CG2 4.43Å; D722-I777 PolarHBondContact N-O 3.18Å; L736-I777 HydrophobicContact CD1-CD1 4.34Å; L736-I777 HydrophobicContact CD2-CD1 4.12Å; F744-I777 HydrophobicContact CE1-CD1 4.09Å; L745-I777 HydrophobicContact CD2-CD1 3.98Å; L745-I777 HydrophobicContact CD2-CG1 3.85Å; L748-I777 HydrophobicContact CD1-CD1 3.72Å; L748-I777 HydrophobicContact CD1-CG1 3.91Å; L748-I777 HydrophobicContact CD1-CG2 4.22Å; I777-A783 HydrophobicContact CG2-CB 4.36Å
778P92.5Very high82.8Confident38 Ų3854.9 Ų54.925%0.24732%0.32CS..  trans-67.8161177.830.7-35.6000110.7D750 N780D750-P778 HydrophobicContact CB-CG 4.12Å; D750-P778 WeakPolarHBondContact O-CD 3.47Å; D750-P778 WeakPolarHBondContact O-CG 3.27Å; P778-N780 PolarHBondContact O-N 3Å; P778-N780 PolarHBondContact O-OD1 2.96Å
779M91.8Very high86.1Confident85 Ų8549.4 Ų49.442%0.41928%0.282SS..SBendtrans-69.292.6176.5-163.963.4-175.600110.8F723 A783 E784 I787F723-M779 HydrophobicContact CD2-CE 4.13Å; F723-M779 HydrophobicContact CD2-SD 4.11Å; F723-M779 HydrophobicContact CE2-CE 4.32Å; M779-A783 HydrophobicContact SD-CB 3.97Å; M779-E784 HydrophobicContact CE-CG 3.48Å; M779-E784 VanDerWaalsContact CE-CG 3.48Å; M779-I787 HydrophobicContact CE-CD1 3.75Å; M779-I787 HydrophobicContact SD-CD1 3.87Å
780N91.2Very high89Confident35 Ų3542.6 Ų42.619%0.18725%0.245CC..SBendtrans-127.6-177.3176.264.714.8000110P778 I782 A783 E784P778-N780 PolarHBondContact O-N 3Å; P778-N780 PolarHBondContact O-OD1 2.96Å; N780-I782 PolarHBondContact O-N 3.45Å; N780-I782 VanDerWaalsContact O-N 3.11Å; N780-I782 WeakPolarHBondContact OD1-CB 3.47Å; N780-I782 PolarHBondContact OD1-N 3.1Å; N780-I782 VanDerWaalsContact OD1-N 3.1Å; N780-A783 WeakPolarHBondContact O-CB 3.3Å; N780-A783 PolarHBondContact O-N 3.36Å; N780-A783 VanDerWaalsContact O-N 3.08Å; N780-A783 PolarHBondContact OD1-N 3.32Å; N780-E784 WeakPolarHBondContact O-CG 3.37Å; N780-E784 PolarHBondContact O-N 2.87Å
781T92.7Very high91.4Very high110 Ų11043 Ų4368%0.67524%0.244SC*.Hα-helixtrans-58.5-28.4-178.8-41.60000113.3A785T781-A785 WeakPolarHBondContact O-CB 3.19Å; T781-A785 PolarHBondContact O-N 3.24Å
782I92.8Very high93.5Very high32 Ų3247.8 Ų47.816%0.16425%0.248CC..Hα-helixtrans-72.7-45.9176.8-69.9174.5000110.5F744 L748 N780 E784 A785 V786 I799F744-I782 HydrophobicContact CZ-CG2 4.46Å; L748-I782 HydrophobicContact CD1-CG2 4.48Å; L748-I782 HydrophobicContact CD2-CD1 3.46Å; L748-I782 VanDerWaalsContact CD2-CD1 3.46Å; L748-I782 HydrophobicContact CD2-CG2 3.91Å; N780-I782 PolarHBondContact O-N 3.45Å; N780-I782 VanDerWaalsContact O-N 3.11Å; N780-I782 WeakPolarHBondContact OD1-CB 3.47Å; N780-I782 PolarHBondContact OD1-N 3.1Å; N780-I782 VanDerWaalsContact OD1-N 3.1Å; I782-E784 VanDerWaalsContact C-N 3.3Å; I782-E784 PolarHBondContact O-N 3.07Å; I782-A785 PolarHBondContact O-N 3.27Å; I782-V786 WeakPolarHBondContact O-CG2 3.31Å; I782-V786 PolarHBondContact O-N 3.31Å; I782-V786 VanDerWaalsContact O-N 3.12Å; I782-I799 HydrophobicContact CD1-CG2 4.17Å; I782-I799 HydrophobicContact CG1-CG2 4.14Å; I782-I799 HydrophobicContact CG2-CD1 3.91Å; I782-I799 HydrophobicContact CG2-CG2 3.98Å
783A94.5Very high94.6Very high0 Ų048.1 Ų48.10%026%0.263CS..Hα-helixtrans-59.4-42.1173.300000111.7I721 I777 M779 N780 V786 I787I721-A783 HydrophobicContact CD1-CB 4.32Å; I721-A783 HydrophobicContact CG1-CB 4.45Å; I721-A783 HydrophobicContact CG2-CB 3.67Å; I777-A783 HydrophobicContact CG2-CB 4.36Å; M779-A783 HydrophobicContact SD-CB 3.97Å; N780-A783 WeakPolarHBondContact O-CB 3.3Å; N780-A783 PolarHBondContact O-N 3.36Å; N780-A783 VanDerWaalsContact O-N 3.08Å; N780-A783 PolarHBondContact OD1-N 3.32Å; A783-V786 PolarHBondContact O-N 2.99Å; A783-I787 WeakPolarHBondContact O-CG1 3.41Å; A783-I787 PolarHBondContact O-N 3.25Å
784E95.3Very high95.1Very high102 Ų10248 Ų4848%0.47726%0.259SS..Hα-helixtrans-60.4-45.2175.5-72.4170.6-177.800112.3M779 N780 I782 V786 I787 E788M779-E784 HydrophobicContact CE-CG 3.48Å; M779-E784 VanDerWaalsContact CE-CG 3.48Å; N780-E784 WeakPolarHBondContact O-CG 3.37Å; N780-E784 PolarHBondContact O-N 2.87Å; I782-E784 VanDerWaalsContact C-N 3.3Å; I782-E784 PolarHBondContact O-N 3.07Å; E784-V786 VanDerWaalsContact C-N 3.32Å; E784-V786 PolarHBondContact O-N 3.48Å; E784-I787 PolarHBondContact O-N 2.92Å; E784-E788 WeakPolarHBondContact O-CB 3.21Å; E784-E788 PolarHBondContact O-N 3.46Å
785A96.5Very high95.4Very high42 Ų4251 Ų5135%0.34727%0.274SS..Hα-helixtrans-61.5-40177.600000112.3T781 I782 E788 M789 I797 I799T781-A785 WeakPolarHBondContact O-CB 3.19Å; T781-A785 PolarHBondContact O-N 3.24Å; I782-A785 PolarHBondContact O-N 3.27Å; A785-E788 PolarHBondContact O-N 3.16Å; A785-M789 PolarHBondContact O-N 2.99Å; A785-I797 HydrophobicContact CB-CD1 4.34Å; A785-I799 HydrophobicContact CB-CD1 4.42Å
786V97.1Very high95.6Very high2 Ų254.8 Ų54.81%0.01229%0.29CS..Hα-helixtrans-64-46.3174.6171.60000111.1I721 I782 A783 E784 E788 M789 I790 I797 I799 I804 V829I721-V786 HydrophobicContact CD1-CB 3.87Å; I721-V786 HydrophobicContact CD1-CG1 3.66Å; I721-V786 HydrophobicContact CD1-CG2 4.39Å; I782-V786 WeakPolarHBondContact O-CG2 3.31Å; I782-V786 PolarHBondContact O-N 3.31Å; I782-V786 VanDerWaalsContact O-N 3.12Å; A783-V786 PolarHBondContact O-N 2.99Å; E784-V786 VanDerWaalsContact C-N 3.32Å; E784-V786 PolarHBondContact O-N 3.48Å; V786-E788 VanDerWaalsContact C-N 3.32Å; V786-E788 PolarHBondContact O-N 3.32Å; V786-M789 WeakPolarHBondContact O-CB 3.48Å; V786-M789 PolarHBondContact O-N 2.94Å; V786-I790 WeakPolarHBondContact O-CG1 3.4Å; V786-I790 PolarHBondContact O-N 3.47Å; V786-I797 HydrophobicContact CG2-CD1 4.34Å; V786-I799 HydrophobicContact CG2-CD1 3.77Å; V786-I804 HydrophobicContact CG2-CG2 4.35Å; V786-V829 HydrophobicContact CG1-CB 4.31Å; V786-V829 HydrophobicContact CG1-CG1 3.68Å; V786-V829 HydrophobicContact CG1-CG2 3.75Å
787I96Very high95.7Very high22 Ų2256.2 Ų56.211%0.11330%0.298CS..Hα-helixtrans-64.1-39.5178.9-70.3163.6000110.9I721 F723 I734 M779 A783 E784 I790 N791I721-I787 HydrophobicContact CG2-CD1 4.25Å; F723-I787 HydrophobicContact CD2-CD1 3.72Å; F723-I787 HydrophobicContact CE2-CD1 4.14Å; F723-I787 HydrophobicContact CG-CD1 4.39Å; I734-I787 HydrophobicContact CD1-CD1 4.01Å; I734-I787 HydrophobicContact CD1-CG1 3.96Å; M779-I787 HydrophobicContact CE-CD1 3.75Å; M779-I787 HydrophobicContact SD-CD1 3.87Å; A783-I787 WeakPolarHBondContact O-CG1 3.41Å; A783-I787 PolarHBondContact O-N 3.25Å; E784-I787 PolarHBondContact O-N 2.92Å; I787-I790 WeakPolarHBondContact O-CB 3.21Å; I787-I790 PolarHBondContact O-N 3.04Å; I787-N791 WeakPolarHBondContact CG2-ND2 3.09Å; I787-N791 VanDerWaalsContact O-CG 3.25Å; I787-N791 PolarHBondContact O-N 3.49Å; I787-N791 PolarHBondContact O-ND2 3.48Å
788E97.1Very high95.8Very high78 Ų7861 Ų6136%0.36433%0.327SS..Hα-helixtrans-65.1-39.5177.9-17267.4176.500112.1E784 A785 V786 I790 N791 R792E784-E788 WeakPolarHBondContact O-CB 3.21Å; E784-E788 PolarHBondContact O-N 3.46Å; A785-E788 PolarHBondContact O-N 3.16Å; V786-E788 VanDerWaalsContact C-N 3.32Å; V786-E788 PolarHBondContact O-N 3.32Å; E788-I790 VanDerWaalsContact C-N 3.27Å; E788-I790 PolarHBondContact O-N 2.89Å; E788-N791 PolarHBondContact O-N 3.46Å; E788-R792 HydrophobicContact CG-CG 4.41Å; E788-R792 WeakPolarHBondContact O-CB 3.34Å; E788-R792 WeakPolarHBondContact O-CG 3.47Å; E788-R792 PolarHBondContact O-N 3.4Å; E788-R792 IonicContact OE1-CZ 3.13Å; E788-R792 IonicContact OE1-NE 3.42Å; E788-R792 PolarHBondContact OE1-NE 2.85Å; E788-R792 IonicContact OE1-NH2 2.6Å; E788-R792 PolarHBondContact OE1-NH2 3.48Å
789M98.1Very high96Very high0 Ų059.9 Ų59.90%032%0.319CS..Hα-helixtrans-55.6-45.6172.1177.2-166.670.100110.9A785 V786 G793 Q794 I797 I804 N806 V829A785-M789 PolarHBondContact O-N 2.99Å; V786-M789 WeakPolarHBondContact O-CB 3.48Å; V786-M789 PolarHBondContact O-N 2.94Å; M789-G793 PolarHBondContact O-N 3.14Å; M789-Q794 HydrophobicContact CB-CB 4.42Å; M789-Q794 HydrophobicContact CG-CB 3.75Å; M789-Q794 PolarHBondContact O-N 3.18Å; M789-I797 HydrophobicContact CB-CD1 4.12Å; M789-I797 HydrophobicContact CB-CG2 3.91Å; M789-I797 HydrophobicContact CG-CG2 3.88Å; M789-I797 HydrophobicContact SD-CB 4.33Å; M789-I797 HydrophobicContact SD-CD1 4.28Å; M789-I797 HydrophobicContact SD-CG1 3.8Å; M789-I797 HydrophobicContact SD-CG2 4.05Å; M789-I804 HydrophobicContact CE-CG2 4.38Å; M789-N806 HydrophobicContact CE-CB 4.07Å; M789-N806 HydrophobicContact SD-CB 4.38Å; M789-V829 HydrophobicContact CE-CB 4.12Å; M789-V829 HydrophobicContact CE-CG2 4.06Å
790I97.8Very high96.2Very high16 Ų1660.3 Ų60.38%0.08232%0.323CS..Hα-helixtrans-66.1-49.3179.6-61.3-64.2000110.9V786 I787 E788 R792 G793 N806 V829 T831 Q834V786-I790 WeakPolarHBondContact O-CG1 3.4Å; V786-I790 PolarHBondContact O-N 3.47Å; I787-I790 WeakPolarHBondContact O-CB 3.21Å; I787-I790 PolarHBondContact O-N 3.04Å; E788-I790 VanDerWaalsContact C-N 3.27Å; E788-I790 PolarHBondContact O-N 2.89Å; I790-R792 VanDerWaalsContact C-N 3.28Å; I790-R792 PolarHBondContact O-N 3.42Å; I790-G793 PolarHBondContact O-N 3.44Å; I790-N806 HydrophobicContact CD1-CB 4.38Å; I790-V829 HydrophobicContact CD1-CB 4.16Å; I790-V829 HydrophobicContact CD1-CG1 3.91Å; I790-V829 HydrophobicContact CG1-CG1 4.06Å; I790-T831 HydrophobicContact CD1-CG2 4.28Å; I790-T831 HydrophobicContact CG1-CG2 3.98Å; I790-T831 HydrophobicContact CG2-CG2 4.09Å; I790-Q834 HydrophobicContact CG2-CG 3.88Å
791N96.7Very high96.4Very high104 Ų10461.8 Ų61.856%0.55635%0.347SS*.Hα-helixtrans-61.9-35.4-178-69-19.7000112.8I787 E788 G793I787-N791 WeakPolarHBondContact CG2-ND2 3.09Å; I787-N791 VanDerWaalsContact O-CG 3.25Å; I787-N791 PolarHBondContact O-N 3.49Å; I787-N791 PolarHBondContact O-ND2 3.48Å; E788-N791 PolarHBondContact O-N 3.46Å; N791-G793 VanDerWaalsContact C-N 3.31Å
792R97.4Very high96.6Very high168 Ų16859 Ų5963%0.63433%0.325SS*.THydrogen-bonded Turntrans-82-6.4177-68.9-172.9-178.4-110.3-8.5114E788 I790 Q794E788-R792 HydrophobicContact CG-CG 4.41Å; E788-R792 WeakPolarHBondContact O-CB 3.34Å; E788-R792 WeakPolarHBondContact O-CG 3.47Å; E788-R792 PolarHBondContact O-N 3.4Å; E788-R792 IonicContact OE1-CZ 3.13Å; E788-R792 IonicContact OE1-NE 3.42Å; E788-R792 PolarHBondContact OE1-NE 2.85Å; E788-R792 IonicContact OE1-NH2 2.6Å; E788-R792 PolarHBondContact OE1-NH2 3.48Å; I790-R792 VanDerWaalsContact C-N 3.28Å; I790-R792 PolarHBondContact O-N 3.42Å; R792-Q794 HydrophobicContact CB-CG 3.96Å; R792-Q794 PolarHBondContact O-N 2.94Å
793G95.8Very high96.9Very high55 Ų5560 Ų6057%0.56734%0.335SS*.THydrogen-bonded Turntrans62.327.8-171.700000113M789 I790 N791M789-G793 PolarHBondContact O-N 3.14Å; I790-G793 PolarHBondContact O-N 3.44Å; N791-G793 VanDerWaalsContact C-N 3.31Å
794Q97.7Very high97Very high88 Ų8860 Ų6041%0.41134%0.335SS..  trans-67.3144.6175.5-76.7178.9-31.500110.3M789 R792 N806M789-Q794 HydrophobicContact CB-CB 4.42Å; M789-Q794 HydrophobicContact CG-CB 3.75Å; M789-Q794 PolarHBondContact O-N 3.18Å; R792-Q794 HydrophobicContact CB-CG 3.96Å; R792-Q794 PolarHBondContact O-N 2.94Å; Q794-N806 WeakPolarHBondContact O-CB 3.39Å; Q794-N806 PolarHBondContact O-ND2 3.27Å
795I97.8Very high97.2Very high71 Ų7155.1 Ų55.136%0.36431%0.312SS..SBendtrans-68.7-47.7-176.4-65.8170.3000111.2N806 A809 I813I795-N806 VanDerWaalsContact O-CB 3.32Å; I795-N806 WeakPolarHBondContact O-CB 3.5Å; I795-N806 PolarHBondContact O-N 2.9Å; I795-A809 HydrophobicContact CB-CB 4.24Å; I795-A809 HydrophobicContact CG1-CB 4.23Å; I795-A809 HydrophobicContact CG2-CB 3.93Å; I795-I813 HydrophobicContact CG2-CD1 3.83Å; I795-I813 HydrophobicContact CG2-CG1 3.6Å
796Q97.5Very high97.3Very high98 Ų9853.4 Ų53.446%0.45830%0.297SS..EExtended strand (participates in β ladder)trans-160.5158.7-178.163.8-178.39.600111.6I804Q796-I804 CarbonylContact C-O 3.42Å; Q796-I804 WeakPolarHBondContact CA-O 3.5Å; Q796-I804 WeakPolarHBondContact CB-O 3.17Å
797I98.1Very high97.3Very high33 Ų3353.3 Ų53.317%0.16930%0.296CS..EExtended strand (participates in β ladder)trans-131.6171.5170.263.7178.4000110.1A785 V786 M789 I799 I804A785-I797 HydrophobicContact CB-CD1 4.34Å; V786-I797 HydrophobicContact CG2-CD1 4.34Å; M789-I797 HydrophobicContact CB-CD1 4.12Å; M789-I797 HydrophobicContact CB-CG2 3.91Å; M789-I797 HydrophobicContact CG-CG2 3.88Å; M789-I797 HydrophobicContact SD-CB 4.33Å; M789-I797 HydrophobicContact SD-CD1 4.28Å; M789-I797 HydrophobicContact SD-CG1 3.8Å; M789-I797 HydrophobicContact SD-CG2 4.05Å; I797-I799 HydrophobicContact CD1-CD1 3.8Å; I797-I799 HydrophobicContact CD1-CG1 4.08Å; I797-I799 HydrophobicContact CG1-CD1 4.49Å; I797-I799 HydrophobicContact CG1-CG1 4.33Å; I797-I804 HydrophobicContact CG1-CB 3.91Å; I797-I804 HydrophobicContact CG1-CG2 4.48Å; I797-I804 PolarHBondContact N-O 2.65Å; I797-I804 PolarHBondContact O-N 3.31Å
798T98Very high97.4Very high101 Ų10155.7 Ų55.762%0.6231%0.309SS*.EExtended strand (participates in β ladder)trans-120.3130.3173.8-57.40000109.7F802T798-F802 WeakPolarHBondContact CA-O 3.42Å
799I96.4Very high97.5Very high16 Ų1652.2 Ų52.28%0.08229%0.294CS..EExtended strand (participates in β ladder)trans-131.4122.7176.8-56.5-173.3000107.8F744 I782 A785 V786 I797 G801 F802 I804F744-I799 HydrophobicContact CE2-CB 4.07Å; F744-I799 HydrophobicContact CE2-CG2 3.97Å; I782-I799 HydrophobicContact CD1-CG2 4.17Å; I782-I799 HydrophobicContact CG1-CG2 4.14Å; I782-I799 HydrophobicContact CG2-CD1 3.91Å; I782-I799 HydrophobicContact CG2-CG2 3.98Å; A785-I799 HydrophobicContact CB-CD1 4.42Å; V786-I799 HydrophobicContact CG2-CD1 3.77Å; I797-I799 HydrophobicContact CD1-CD1 3.8Å; I797-I799 HydrophobicContact CD1-CG1 4.08Å; I797-I799 HydrophobicContact CG1-CD1 4.49Å; I797-I799 HydrophobicContact CG1-CG1 4.33Å; I799-G801 PolarHBondContact O-N 3.14Å; I799-G801 VanDerWaalsContact O-N 3.1Å; I799-F802 PolarHBondContact N-O 3.33Å; I799-F802 WeakPolarHBondContact O-CB 3.39Å; I799-F802 PolarHBondContact O-N 2.87Å; I799-I804 HydrophobicContact CB-CG1 4.3Å; I799-I804 HydrophobicContact CD1-CG1 4.33Å; I799-I804 HydrophobicContact CG1-CG1 4.16Å
800N95.3Very high97.4Very high94 Ų9452.7 Ų52.750%0.50330%0.296SS..THydrogen-bonded Turntrans5133.6-177.4-60.9-11.8000113.7S747 F802S747-N800 PolarHBondContact O-ND2 3.28Å; S747-N800 VanDerWaalsContact O-ND2 3.13Å; S747-N800 PolarHBondContact OG-ND2 2.85Å; S747-N800 VanDerWaalsContact OG-ND2 3.12Å; N800-F802 VanDerWaalsContact C-N 3.28Å; N800-F802 HydrophobicContact CB-CD2 4.22Å; N800-F802 WeakPolarHBondContact O-CD2 3.35Å; N800-F802 PolarHBondContact O-N 3.35Å
801G95.8Very high97.4Very high66 Ų6654.8 Ų54.868%0.6831%0.31SS*.THydrogen-bonded Turntrans82-6.7-176.700000115.4I799I799-G801 PolarHBondContact O-N 3.14Å; I799-G801 VanDerWaalsContact O-N 3.1Å
802F97.7Very high97.4Very high51 Ų5156.1 Ų56.122%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-85.7133.4176-63.4-89.8000111.2D740 A743 F744 T798 I799 N800 I804 I827D740-F802 HydrophobicContact CB-CD1 4.45Å; D740-F802 HydrophobicContact CB-CE1 4.33Å; A743-F802 HydrophobicContact CB-CE1 3.87Å; A743-F802 HydrophobicContact CB-CZ 3.89Å; F744-F802 HydrophobicContact CB-CD1 3.96Å; F744-F802 HydrophobicContact CB-CD2 4.21Å; F744-F802 HydrophobicContact CB-CE1 4.18Å; F744-F802 HydrophobicContact CB-CE2 4.42Å; F744-F802 HydrophobicContact CB-CG 3.98Å; F744-F802 HydrophobicContact CB-CZ 4.41Å; F744-F802 HydrophobicContact CD2-CB 3.93Å; F744-F802 AromaticContact CD2-CD2 3.83Å; F744-F802 HydrophobicContact CD2-CD2 3.83Å; F744-F802 AromaticContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CG-CG 4.4Å; T798-F802 WeakPolarHBondContact CA-O 3.42Å; I799-F802 PolarHBondContact N-O 3.33Å; I799-F802 WeakPolarHBondContact O-CB 3.39Å; I799-F802 PolarHBondContact O-N 2.87Å; N800-F802 VanDerWaalsContact C-N 3.28Å; N800-F802 HydrophobicContact CB-CD2 4.22Å; N800-F802 WeakPolarHBondContact O-CD2 3.35Å; N800-F802 PolarHBondContact O-N 3.35Å; F802-I804 HydrophobicContact CB-CD1 4.16Å; F802-I804 PolarHBondContact O-N 3.4Å; F802-I827 HydrophobicContact CB-CD1 4.41Å; F802-I827 HydrophobicContact CD1-CD1 4.38Å
803S97.5Very high97.4Very high52 Ų5250.7 Ų50.736%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-77.2116.4171.9-60.40000110.5I827S803-I827 PolarHBondContact O-N 3.48Å
804I98.3Very high97.5Very high0 Ų049.6 Ų49.60%028%0.277CS..EExtended strand (participates in β ladder)trans-107.8117.3177.6-47.9-55.9000108F744 V786 M789 Q796 I797 I799 F802 I827 V829F744-I804 HydrophobicContact CD2-CD1 4.11Å; F744-I804 HydrophobicContact CE1-CD1 4.32Å; F744-I804 HydrophobicContact CE2-CD1 3.86Å; F744-I804 HydrophobicContact CG-CD1 4.45Å; F744-I804 HydrophobicContact CZ-CD1 3.96Å; V786-I804 HydrophobicContact CG2-CG2 4.35Å; M789-I804 HydrophobicContact CE-CG2 4.38Å; Q796-I804 CarbonylContact C-O 3.42Å; Q796-I804 WeakPolarHBondContact CA-O 3.5Å; Q796-I804 WeakPolarHBondContact CB-O 3.17Å; I797-I804 HydrophobicContact CG1-CB 3.91Å; I797-I804 HydrophobicContact CG1-CG2 4.48Å; I797-I804 PolarHBondContact N-O 2.65Å; I797-I804 PolarHBondContact O-N 3.31Å; I799-I804 HydrophobicContact CB-CG1 4.3Å; I799-I804 HydrophobicContact CD1-CG1 4.33Å; I799-I804 HydrophobicContact CG1-CG1 4.16Å; F802-I804 HydrophobicContact CB-CD1 4.16Å; F802-I804 PolarHBondContact O-N 3.4Å; I804-I827 CarbonylContact C-O 3.56Å; I804-I827 WeakPolarHBondContact CA-O 3.49Å; I804-I827 HydrophobicContact CD1-CB 3.8Å; I804-I827 HydrophobicContact CD1-CD1 3.91Å; I804-I827 HydrophobicContact CD1-CG1 4.4Å; I804-I827 HydrophobicContact CD1-CG2 4.09Å; I804-V829 HydrophobicContact CG2-CG2 3.36Å
805S98.4Very high97.4Very high0 Ų049.9 Ų49.90%028%0.282CS..EExtended strand (participates in β ladder)trans-107.3141.8-171.7-60.80000111.9G807 I813 T826 I827 V829S805-G807 PolarHBondContact O-N 2.97Å; S805-I813 VanDerWaalsContact CB-CD1 3.47Å; S805-I813 WeakPolarHBondContact OG-CD1 3.18Å; S805-T826 WeakPolarHBondContact CB-OG1 3.3Å; S805-T826 VanDerWaalsContact OG-CB 3.22Å; S805-T826 WeakPolarHBondContact OG-CB 3.35Å; S805-T826 PolarHBondContact OG-OG1 3.13Å; S805-I827 PolarHBondContact N-O 2.6Å; S805-V829 PolarHBondContact O-N 3.34Å
806N98.6Very high97.4Very high6 Ų649.5 Ų49.53%0.03228%0.277CS..EExtended strand (participates in β ladder)trans-73.7124.1169.4-174.7-25.8000109.9M789 I790 Q794 I795 L808 A809 Q834M789-N806 HydrophobicContact CE-CB 4.07Å; M789-N806 HydrophobicContact SD-CB 4.38Å; I790-N806 HydrophobicContact CD1-CB 4.38Å; Q794-N806 WeakPolarHBondContact O-CB 3.39Å; Q794-N806 PolarHBondContact O-ND2 3.27Å; I795-N806 VanDerWaalsContact O-CB 3.32Å; I795-N806 WeakPolarHBondContact O-CB 3.5Å; I795-N806 PolarHBondContact O-N 2.9Å; N806-L808 PolarHBondContact O-N 3.03Å; N806-L808 VanDerWaalsContact O-N 3.1Å; N806-L808 PolarHBondContact OD1-N 3.03Å; N806-L808 VanDerWaalsContact OD1-N 3.13Å; N806-A809 HydrophobicContact CB-CB 4.39Å; N806-A809 PolarHBondContact O-N 3.43Å; N806-Q834 PolarHBondContact OD1-NE2 2.74Å
807G98.1Very high97.5Very high0 Ų045.1 Ų45.10%026%0.258CS..THydrogen-bonded Turntrans-60.8-17.1-177.500000116.3S805 I828 V829 R913S805-G807 PolarHBondContact O-N 2.97Å; G807-I828 VanDerWaalsContact CA-CG2 3.46Å; G807-V829 WeakPolarHBondContact CA-O 3.35Å; G807-V829 PolarHBondContact N-O 3.26Å; G807-R913 PolarHBondContact O-NH2 3.11Å
808L97.9Very high97.5Very high73 Ų7343.5 Ų43.538%0.38225%0.249SC..THydrogen-bonded Turntrans-84.6-8.9173-66.3-179.4000113.5N806 Q834 Y835N806-L808 PolarHBondContact O-N 3.03Å; N806-L808 VanDerWaalsContact O-N 3.1Å; N806-L808 PolarHBondContact OD1-N 3.03Å; N806-L808 VanDerWaalsContact OD1-N 3.13Å; L808-Q834 HydrophobicContact CD1-CB 3.79Å; L808-Q834 HydrophobicContact CD1-CG 3.81Å; L808-Q834 HydrophobicContact CD2-CB 4.4Å; L808-Q834 HydrophobicContact CG-CB 4.05Å; L808-Q834 HydrophobicContact CG-CG 3.97Å; L808-Y835 HydrophobicContact CD2-CE1 3.71Å
809A98Very high97.4Very high5 Ų539.8 Ų39.84%0.04123%0.226CC..  trans-111.214.4-174.100000113.4I795 N806 T811 Q812 I813I795-A809 HydrophobicContact CB-CB 4.24Å; I795-A809 HydrophobicContact CG1-CB 4.23Å; I795-A809 HydrophobicContact CG2-CB 3.93Å; N806-A809 HydrophobicContact CB-CB 4.39Å; N806-A809 PolarHBondContact O-N 3.43Å; A809-T811 VanDerWaalsContact C-N 3.29Å; A809-T811 PolarHBondContact O-N 3.23Å; A809-Q812 WeakPolarHBondContact O-CB 3.34Å; A809-Q812 PolarHBondContact O-N 3.2Å; A809-I813 HydrophobicContact CB-CD1 4.44Å; A809-I813 WeakPolarHBondContact O-CG1 3.37Å; A809-I813 PolarHBondContact O-N 3.19Å; A809-I813 VanDerWaalsContact O-N 3.16Å
810T97.5Very high97.5Very high9 Ų939.2 Ų39.26%0.05523%0.225CC..Hα-helixtrans-59.3-36.7-176.151.30000113Q812 I813 N814 I828T810-Q812 VanDerWaalsContact C-N 3.27Å; T810-Q812 PolarHBondContact O-N 2.98Å; T810-I813 PolarHBondContact O-N 3.05Å; T810-N814 CarbonylContact O-C 3.57Å; T810-N814 VanDerWaalsContact O-C 3.27Å; T810-N814 PolarHBondContact O-N 3.18Å; T810-N814 VanDerWaalsContact O-O 3.08Å; T810-I828 HydrophobicContact CG2-CD1 4.03Å
811T96.7Very high97.6Very high60 Ų6036.1 Ų36.137%0.36821%0.207SC..Hα-helixtrans-63.7-31.2175.951.80000113.2A809 A818 P907A809-T811 VanDerWaalsContact C-N 3.29Å; A809-T811 PolarHBondContact O-N 3.23Å; T811-A818 HydrophobicContact CG2-CB 3.64Å; T811-P907 HydrophobicContact CG2-CB 4.28Å; T811-P907 HydrophobicContact CG2-CG 3.47Å; T811-P907 VanDerWaalsContact CG2-CG 3.47Å
812Q97.2Very high97.7Very high132 Ų13235.6 Ų35.662%0.61719%0.187SC*.Hα-helixtrans-79.6-27.9178-6017351.400111.9A809 T810A809-Q812 WeakPolarHBondContact O-CB 3.34Å; A809-Q812 PolarHBondContact O-N 3.2Å; T810-Q812 VanDerWaalsContact C-N 3.27Å; T810-Q812 PolarHBondContact O-N 2.98Å
813I97Very high97.8Very high55 Ų5535.5 Ų35.528%0.28219%0.19SC..Hα-helixtrans-87-51.4-178.2-62.7169.1000110.8I795 S805 A809 T810I795-I813 HydrophobicContact CG2-CD1 3.83Å; I795-I813 HydrophobicContact CG2-CG1 3.6Å; S805-I813 VanDerWaalsContact CB-CD1 3.47Å; S805-I813 WeakPolarHBondContact OG-CD1 3.18Å; A809-I813 HydrophobicContact CB-CD1 4.44Å; A809-I813 WeakPolarHBondContact O-CG1 3.37Å; A809-I813 PolarHBondContact O-N 3.19Å; A809-I813 VanDerWaalsContact O-N 3.16Å; T810-I813 PolarHBondContact O-N 3.05Å
814N97.2Very high97.8Very high32 Ų3233.3 Ų33.317%0.17118%0.175CC..  trans-154.9102.7175-178.4-9.8000109.7T810 K816 A817 A818 E822T810-N814 CarbonylContact O-C 3.57Å; T810-N814 VanDerWaalsContact O-C 3.27Å; T810-N814 PolarHBondContact O-N 3.18Å; T810-N814 VanDerWaalsContact O-O 3.08Å; N814-K816 VanDerWaalsContact C-N 3.33Å; N814-K816 PolarHBondContact O-N 3.09Å; N814-K816 PolarHBondContact OD1-N 3.22Å; N814-A817 HydrophobicContact CB-CB 3.85Å; N814-A817 WeakPolarHBondContact O-CB 3.45Å; N814-A817 PolarHBondContact O-N 3.39Å; N814-A817 VanDerWaalsContact O-N 3.09Å; N814-A817 PolarHBondContact OD1-N 3.09Å; N814-A818 PolarHBondContact O-N 2.96Å; N814-E822 PolarHBondContact ND2-OE2 3.4Å
815N97.5Very high97.7Very high94 Ų9441.8 Ų41.850%0.50321%0.207SC..Hα-helixtrans-60.8-38-179.8-171.765.1000113.3A817 A818 T819N815-A817 VanDerWaalsContact C-N 3.28Å; N815-A817 PolarHBondContact O-N 2.96Å; N815-A818 WeakPolarHBondContact O-CB 3.35Å; N815-A818 PolarHBondContact O-N 3.15Å; N815-A818 VanDerWaalsContact O-N 3.13Å; N815-T819 PolarHBondContact O-N 2.94Å; N815-T819 PolarHBondContact O-OG1 2.98Å
816K97.9Very high97.6Very high63 Ų6343 Ų4327%0.27421%0.214SC..Hα-helixtrans-64.9-33.7175.8-78-169.4172.5-84.40111.8N600 N814 T819 G820 E821 E822N600-K816 PolarHBondContact OD1-NZ 3.23Å; N814-K816 VanDerWaalsContact C-N 3.33Å; N814-K816 PolarHBondContact O-N 3.09Å; N814-K816 PolarHBondContact OD1-N 3.22Å; K816-T819 PolarHBondContact O-OG1 3.41Å; K816-T819 VanDerWaalsContact O-OG1 3.08Å; K816-G820 PolarHBondContact O-N 3.07Å; K816-E821 HydrophobicContact CB-CB 4.01Å; K816-E821 HydrophobicContact CG-CB 4.25Å; K816-E821 IonicContact NZ-OE2 3.05Å; K816-E821 PolarHBondContact NZ-OE2 2.97Å; K816-E821 WeakPolarHBondContact O-CA 3.41Å; K816-E821 WeakPolarHBondContact O-CB 3.48Å; K816-E821 PolarHBondContact O-N 3.28Å; K816-E822 HydrophobicContact CB-CB 4.13Å; K816-E822 HydrophobicContact CB-CG 3.88Å; K816-E822 HydrophobicContact CD-CG 4.43Å; K816-E822 PolarHBondContact O-N 3.25Å
817A97.8Very high97.6Very high5 Ų542.9 Ų42.94%0.04121%0.214CC..Hα-helixtrans-68.9-38.4172.600000112N814 N815 T819 G820 E822 P824 E909N814-A817 HydrophobicContact CB-CB 3.85Å; N814-A817 WeakPolarHBondContact O-CB 3.45Å; N814-A817 PolarHBondContact O-N 3.39Å; N814-A817 VanDerWaalsContact O-N 3.09Å; N814-A817 PolarHBondContact OD1-N 3.09Å; N815-A817 VanDerWaalsContact C-N 3.28Å; N815-A817 PolarHBondContact O-N 2.96Å; A817-T819 PolarHBondContact O-N 3.28Å; A817-G820 PolarHBondContact O-N 2.89Å; A817-E822 WeakPolarHBondContact CA-O 3.5Å; A817-E822 HydrophobicContact CB-CB 4.48Å; A817-P824 HydrophobicContact CB-CB 4.41Å; A817-P824 HydrophobicContact CB-CG 4.1Å; A817-E909 VanDerWaalsContact O-CB 3.26Å; A817-E909 WeakPolarHBondContact O-CB 3.41Å
818A98Very high97.7Very high0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-65-36.3177.900000112.9T811 N814 N815 G820 P907 K908 E909T811-A818 HydrophobicContact CG2-CB 3.64Å; N814-A818 PolarHBondContact O-N 2.96Å; N815-A818 WeakPolarHBondContact O-CB 3.35Å; N815-A818 PolarHBondContact O-N 3.15Å; N815-A818 VanDerWaalsContact O-N 3.13Å; A818-G820 VanDerWaalsContact C-N 3.3Å; A818-P907 HydrophobicContact CB-CB 3.85Å; A818-P907 HydrophobicContact CB-CG 4.33Å; A818-P907 CarbonylContact O-C 3.55Å; A818-P907 WeakPolarHBondContact O-CB 3.4Å; A818-K908 PolarHBondContact O-N 3.3Å; A818-E909 WeakPolarHBondContact O-CB 3.06Å; A818-E909 PolarHBondContact O-N 2.91Å
819T97.5Very high97.7Very high22 Ų2239.4 Ų39.414%0.13520%0.196CC..Hα-helixtrans-78.7-1117654.90000113.5N815 K816 A817 E821 K908N815-T819 PolarHBondContact O-N 2.94Å; N815-T819 PolarHBondContact O-OG1 2.98Å; K816-T819 PolarHBondContact O-OG1 3.41Å; K816-T819 VanDerWaalsContact O-OG1 3.08Å; A817-T819 PolarHBondContact O-N 3.28Å; T819-E821 WeakPolarHBondContact OG1-CG 3.3Å; T819-E821 PolarHBondContact OG1-OE1 3Å; T819-K908 WeakPolarHBondContact O-CB 3.16Å
820G97.8Very high97.7Very high5 Ų539.2 Ų39.25%0.05219%0.194CC..THydrogen-bonded Turntrans82.910.6-175.500000114.3M711 K816 A817 A818M711-G820 WeakPolarHBondContact CE-O 3.48Å; K816-G820 PolarHBondContact O-N 3.07Å; A817-G820 PolarHBondContact O-N 2.89Å; A818-G820 VanDerWaalsContact C-N 3.3Å
821E98.2Very high97.8Very high29 Ų2938.9 Ų38.914%0.13619%0.192CC..SBendtrans-75.2-26.5174.1-73176.3-100.200112.8T599 N600 F601 K816 T819T599-E821 WeakPolarHBondContact CA-OE2 3.44Å; N600-E821 HydrophobicContact CB-CB 3.75Å; N600-E821 HydrophobicContact CB-CG 3.98Å; N600-E821 PolarHBondContact N-OE2 3.35Å; N600-E821 PolarHBondContact ND2-O 3.3Å; F601-E821 HydrophobicContact CD2-CG 3.97Å; F601-E821 HydrophobicContact CE2-CG 3.52Å; F601-E821 HydrophobicContact CZ-CG 3.93Å; K816-E821 HydrophobicContact CB-CB 4.01Å; K816-E821 HydrophobicContact CG-CB 4.25Å; K816-E821 IonicContact NZ-OE2 3.05Å; K816-E821 PolarHBondContact NZ-OE2 2.97Å; K816-E821 WeakPolarHBondContact O-CA 3.41Å; K816-E821 WeakPolarHBondContact O-CB 3.48Å; K816-E821 PolarHBondContact O-N 3.28Å; T819-E821 WeakPolarHBondContact OG1-CG 3.3Å; T819-E821 PolarHBondContact OG1-OE1 3Å
822E98.1Very high97.8Very high55 Ų5536 Ų3626%0.25717%0.174SC..SBendtrans-127.9155173-76.4-177.9-16000110.4N814 K816 A817 R825N814-E822 PolarHBondContact ND2-OE2 3.4Å; K816-E822 HydrophobicContact CB-CB 4.13Å; K816-E822 HydrophobicContact CB-CG 3.88Å; K816-E822 HydrophobicContact CD-CG 4.43Å; K816-E822 PolarHBondContact O-N 3.25Å; A817-E822 WeakPolarHBondContact CA-O 3.5Å; A817-E822 HydrophobicContact CB-CB 4.48Å; E822-R825 IonicContact OE2-CZ 2.91Å; E822-R825 IonicContact OE2-NH1 2.72Å; E822-R825 PolarHBondContact OE2-NH1 2.99Å; E822-R825 IonicContact OE2-NH2 3.54Å; E822-R825 PolarHBondContact OE2-NH2 3.48Å
823V98.2Very high97.8Very high48 Ų4832.4 Ų32.429%0.29116%0.164SC..  trans-78.1132.9168.6-178.40000108.9P713 I739 R825P713-V823 HydrophobicContact CG-CB 4.38Å; P713-V823 HydrophobicContact CG-CG1 3.76Å; P713-V823 HydrophobicContact CG-CG2 3.64Å; I739-V823 HydrophobicContact CD1-CG1 3.9Å; I739-V823 HydrophobicContact CG1-CG1 3.83Å; V823-R825 PolarHBondContact O-N 3.3Å
824P97.9Very high97.8Very high6 Ų631.2 Ų31.24%0.03916%0.157CC..  trans-55.2130.3173.5-25.633.5000112.8A817 I828 E909A817-P824 HydrophobicContact CB-CB 4.41Å; A817-P824 HydrophobicContact CB-CG 4.1Å; P824-I828 HydrophobicContact CB-CD1 3.58Å; P824-I828 HydrophobicContact CB-CG1 4.41Å; P824-I828 HydrophobicContact CG-CD1 3.69Å; P824-E909 HydrophobicContact CG-CG 4.09Å
825R96.2Very high97.9Very high179 Ų17930.6 Ų30.668%0.67515%0.152SC*.SBendtrans-924.8178.6-64.5-170.2-77.8-92.5-0.2113.6E822 V823E822-R825 IonicContact OE2-CZ 2.91Å; E822-R825 IonicContact OE2-NH1 2.72Å; E822-R825 PolarHBondContact OE2-NH1 2.99Å; E822-R825 IonicContact OE2-NH2 3.54Å; E822-R825 PolarHBondContact OE2-NH2 3.48Å; V823-R825 PolarHBondContact O-N 3.3Å
826T97.5Very high97.9Very high24 Ų2428.9 Ų28.915%0.14716%0.156CC..SBendtrans-120.8166179.964.50000110.6S805S805-T826 WeakPolarHBondContact CB-OG1 3.3Å; S805-T826 VanDerWaalsContact OG-CB 3.22Å; S805-T826 WeakPolarHBondContact OG-CB 3.35Å; S805-T826 PolarHBondContact OG-OG1 3.13Å
827I98.5Very high97.9Very high4 Ų426.2 Ų26.22%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-84.3120.1169.9-63.9169.9000107.7L736 N737 L741 F744 F802 S803 I804 S805L736-I827 HydrophobicContact CB-CG2 4.23Å; L736-I827 HydrophobicContact CD2-CG2 4.16Å; N737-I827 CarbonylContact O-C 3.59Å; N737-I827 WeakPolarHBondContact O-CA 3.43Å; L741-I827 HydrophobicContact CD1-CG2 4.11Å; F744-I827 HydrophobicContact CB-CD1 3.19Å; F744-I827 HydrophobicContact CD1-CD1 3.74Å; F744-I827 HydrophobicContact CD2-CD1 4.23Å; F744-I827 HydrophobicContact CG-CD1 3.46Å; F744-I827 VanDerWaalsContact CG-CD1 3.46Å; F802-I827 HydrophobicContact CB-CD1 4.41Å; F802-I827 HydrophobicContact CD1-CD1 4.38Å; S803-I827 PolarHBondContact O-N 3.48Å; I804-I827 CarbonylContact C-O 3.56Å; I804-I827 WeakPolarHBondContact CA-O 3.49Å; I804-I827 HydrophobicContact CD1-CB 3.8Å; I804-I827 HydrophobicContact CD1-CD1 3.91Å; I804-I827 HydrophobicContact CD1-CG1 4.4Å; I804-I827 HydrophobicContact CD1-CG2 4.09Å; S805-I827 PolarHBondContact N-O 2.6Å
828I98.7Very high97.8Very high1 Ų127.6 Ų27.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-99.1130.8-177.2-57.3169.9000110.1L736 N737 G807 T810 P824L736-I828 WeakPolarHBondContact CA-O 3.2Å; N737-I828 PolarHBondContact N-O 3.36Å; N737-I828 PolarHBondContact O-N 2.9Å; G807-I828 VanDerWaalsContact CA-CG2 3.46Å; T810-I828 HydrophobicContact CG2-CD1 4.03Å; P824-I828 HydrophobicContact CB-CD1 3.58Å; P824-I828 HydrophobicContact CB-CG1 4.41Å; P824-I828 HydrophobicContact CG-CD1 3.69Å
829V98.7Very high97.6Very high0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-99.8127.1175.1-175.20000109.6I734 V735 L736 V786 M789 I790 I804 S805 G807 T831 Q834I734-V829 HydrophobicContact CG2-CG1 4.3Å; V735-V829 WeakPolarHBondContact O-CA 3.48Å; L736-V829 HydrophobicContact CD2-CG2 4.27Å; L736-V829 HydrophobicContact CG-CG2 4.2Å; V786-V829 HydrophobicContact CG1-CB 4.31Å; V786-V829 HydrophobicContact CG1-CG1 3.68Å; V786-V829 HydrophobicContact CG1-CG2 3.75Å; M789-V829 HydrophobicContact CE-CB 4.12Å; M789-V829 HydrophobicContact CE-CG2 4.06Å; I790-V829 HydrophobicContact CD1-CB 4.16Å; I790-V829 HydrophobicContact CD1-CG1 3.91Å; I790-V829 HydrophobicContact CG1-CG1 4.06Å; I804-V829 HydrophobicContact CG2-CG2 3.36Å; S805-V829 PolarHBondContact O-N 3.34Å; G807-V829 WeakPolarHBondContact CA-O 3.35Å; G807-V829 PolarHBondContact N-O 3.26Å; V829-T831 HydrophobicContact CG1-CG2 4.01Å; V829-Q834 PolarHBondContact O-NE2 3.24Å
830T98.7Very high97.4Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-127.1126.4-179.6-45.50000109.3V735 Q834 Y835 R913 R914 L917V735-T830 PolarHBondContact N-O 3.35Å; V735-T830 PolarHBondContact O-N 3.06Å; T830-Q834 VanDerWaalsContact CA-OE1 3.31Å; T830-Y835 HydrophobicContact CG2-CE2 4.23Å; T830-R913 HydrophobicContact CG2-CG 4.35Å; T830-R913 VanDerWaalsContact OG1-CD 3.26Å; T830-R913 WeakPolarHBondContact OG1-CD 3.39Å; T830-R913 WeakPolarHBondContact OG1-CG 3.05Å; T830-R913 PolarHBondContact OG1-NH1 2.92Å; T830-R914 HydrophobicContact CG2-CB 4.43Å; T830-L917 HydrophobicContact CG2-CD1 3.9Å; T830-L917 HydrophobicContact CG2-CD2 4.16Å; T830-L917 HydrophobicContact CG2-CG 4.02Å
831T98.3Very high97.3Very high3 Ų334.5 Ų34.52%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-131.7154.8-174.276.80000112.4R733 I734 I790 V829 S833 Q834 Y835 L917R733-T831 CarbonylContact O-C 3.29Å; R733-T831 VanDerWaalsContact O-CA 3.24Å; R733-T831 WeakPolarHBondContact O-CA 3.29Å; I734-T831 HydrophobicContact CB-CG2 4.36Å; I734-T831 HydrophobicContact CG1-CG2 4.12Å; I734-T831 HydrophobicContact CG2-CG2 3.99Å; I790-T831 HydrophobicContact CD1-CG2 4.28Å; I790-T831 HydrophobicContact CG1-CG2 3.98Å; I790-T831 HydrophobicContact CG2-CG2 4.09Å; V829-T831 HydrophobicContact CG1-CG2 4.01Å; T831-S833 VanDerWaalsContact C-N 3.34Å; T831-S833 PolarHBondContact OG1-OG 2.97Å; T831-Q834 WeakPolarHBondContact O-CB 3.49Å; T831-Q834 PolarHBondContact O-N 3.27Å; T831-Q834 WeakPolarHBondContact OG1-CG 3.49Å; T831-Q834 PolarHBondContact OG1-N 3.01Å; T831-Y835 WeakPolarHBondContact O-CD2 3.43Å; T831-L917 WeakPolarHBondContact O-CD1 3.41Å
832R97.8Very high97.3Very high0 Ų033.6 Ų33.60%018%0.184CC..SBendtrans-61.8-40.8170.5-79.9-166.6173.6-167.6-5.9112.8R733 Q834 Y835 G836 L837 P838 E839 A841 V843 L917 D919R733-R832 PolarHBondContact O-N 3.35Å; R832-Q834 VanDerWaalsContact C-N 3.27Å; R832-Q834 PolarHBondContact O-N 3.05Å; R832-Y835 PolarHBondContact O-N 3.22Å; R832-G836 PolarHBondContact O-N 3.23Å; R832-L837 HydrophobicContact CB-CB 3.85Å; R832-L837 HydrophobicContact CG-CB 4.03Å; R832-L837 HydrophobicContact CG-CD1 4.26Å; R832-L837 PolarHBondContact O-N 3.15Å; R832-P838 WeakPolarHBondContact CD-O 3.15Å; R832-P838 PolarHBondContact NH1-O 3.28Å; R832-E839 WeakPolarHBondContact CB-OE1 3.26Å; R832-A841 PolarHBondContact NH1-O 3.38Å; R832-V843 VanDerWaalsContact NH2-CG2 3.34Å; R832-L917 HydrophobicContact CG-CB 4.29Å; R832-L917 HydrophobicContact CG-CD2 4.42Å; R832-L917 PolarHBondContact NE-O 3.14Å; R832-L917 VanDerWaalsContact NE-O 3.15Å; R832-L917 PolarHBondContact NH2-O 2.92Å; R832-D919 IonicContact CZ-OD2 3.41Å; R832-D919 IonicContact NH2-OD1 3.4Å; R832-D919 IonicContact NH2-OD2 2.62Å; R832-D919 PolarHBondContact NH2-OD2 2.93Å
833S96.8Very high97.4Very high56 Ų5631 Ų3139%0.39217%0.171SC..G310 helixtrans-56.2-35.2177.4620000114.3T831 Y835 G836 E839T831-S833 VanDerWaalsContact C-N 3.34Å; T831-S833 PolarHBondContact OG1-OG 2.97Å; S833-Y835 PolarHBondContact O-N 3.45Å; S833-G836 PolarHBondContact O-N 3.17Å; S833-E839 PolarHBondContact N-OE1 2.95Å
834Q97.8Very high97.4Very high30 Ų3028.7 Ų28.714%0.1416%0.158CC..G310 helixtrans-57-30.4175.6-79.6168.5-33.800113.3I790 N806 L808 V829 T830 T831 R832I790-Q834 HydrophobicContact CG2-CG 3.88Å; N806-Q834 PolarHBondContact OD1-NE2 2.74Å; L808-Q834 HydrophobicContact CD1-CB 3.79Å; L808-Q834 HydrophobicContact CD1-CG 3.81Å; L808-Q834 HydrophobicContact CD2-CB 4.4Å; L808-Q834 HydrophobicContact CG-CB 4.05Å; L808-Q834 HydrophobicContact CG-CG 3.97Å; V829-Q834 PolarHBondContact O-NE2 3.24Å; T830-Q834 VanDerWaalsContact CA-OE1 3.31Å; T831-Q834 WeakPolarHBondContact O-CB 3.49Å; T831-Q834 PolarHBondContact O-N 3.27Å; T831-Q834 WeakPolarHBondContact OG1-CG 3.49Å; T831-Q834 PolarHBondContact OG1-N 3.01Å; R832-Q834 VanDerWaalsContact C-N 3.27Å; R832-Q834 PolarHBondContact O-N 3.05Å
835Y98Very high97.5Very high19 Ų1928.4 Ų28.48%0.07516%0.156CC..G310 helixtrans-11010.7-175.8-59.2-76.8000112.8L808 T830 T831 R832 S833 L837 W874 E910 R914 L917L808-Y835 HydrophobicContact CD2-CE1 3.71Å; T830-Y835 HydrophobicContact CG2-CE2 4.23Å; T831-Y835 WeakPolarHBondContact O-CD2 3.43Å; R832-Y835 PolarHBondContact O-N 3.22Å; S833-Y835 PolarHBondContact O-N 3.45Å; Y835-L837 PolarHBondContact O-N 3.39Å; Y835-W874 HydrophobicContact CD1-CH2 4.31Å; Y835-W874 AromaticContact CD1-CZ2 3.74Å; Y835-W874 HydrophobicContact CD1-CZ2 3.74Å; Y835-W874 AromaticContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CZ2 4.13Å; Y835-W874 HydrophobicContact CE1-CZ2 4.46Å; Y835-W874 HydrophobicContact CE2-CH2 4.46Å; Y835-W874 AromaticContact CG-CH2 3.88Å; Y835-W874 HydrophobicContact CG-CH2 3.88Å; Y835-W874 AromaticContact CG-CZ2 3.54Å; Y835-W874 HydrophobicContact CG-CZ2 3.54Å; Y835-E910 WeakPolarHBondContact CE1-OE1 3.48Å; Y835-E910 VanDerWaalsContact OH-CD 3.26Å; Y835-E910 WeakPolarHBondContact OH-CG 3.31Å; Y835-E910 PolarHBondContact OH-OE1 3.24Å; Y835-R914 HydrophobicContact CE2-CB 3.84Å; Y835-L917 HydrophobicContact CD2-CD1 3.47Å; Y835-L917 VanDerWaalsContact CD2-CD1 3.47Å; Y835-L917 HydrophobicContact CE2-CD1 3.7Å
836G96.8Very high97.6Very high57 Ų5720 Ų2059%0.58812%0.124SC*.THydrogen-bonded Turntrans65.525-178.100000113.7R832 S833R832-G836 PolarHBondContact O-N 3.23Å; S833-G836 PolarHBondContact O-N 3.17Å
837L98Very high97.6Very high8 Ų819 Ų194%0.04212%0.117CC..  trans-85.2145.8-179.5-61.4171.7000111.2R832 Y835 V843 W874 I901 L917R832-L837 HydrophobicContact CB-CB 3.85Å; R832-L837 HydrophobicContact CG-CB 4.03Å; R832-L837 HydrophobicContact CG-CD1 4.26Å; R832-L837 PolarHBondContact O-N 3.15Å; Y835-L837 PolarHBondContact O-N 3.39Å; L837-V843 HydrophobicContact CB-CG2 4.44Å; L837-V843 HydrophobicContact CD1-CG1 4.35Å; L837-V843 HydrophobicContact CD2-CG1 4.22Å; L837-W874 HydrophobicContact CD1-CD2 3.86Å; L837-W874 HydrophobicContact CD1-CE3 3.61Å; L837-W874 HydrophobicContact CD1-CH2 3.85Å; L837-W874 HydrophobicContact CD1-CZ2 4.1Å; L837-W874 HydrophobicContact CD1-CZ3 3.6Å; L837-W874 HydrophobicContact CD2-CB 4.11Å; L837-W874 HydrophobicContact CD2-CD2 3.82Å; L837-W874 HydrophobicContact CD2-CE3 4.3Å; L837-W874 HydrophobicContact CD2-CG 3.74Å; L837-W874 HydrophobicContact CG-CD2 4.37Å; L837-I901 HydrophobicContact CD2-CB 4.41Å; L837-I901 HydrophobicContact CD2-CD1 3.95Å; L837-I901 HydrophobicContact CD2-CG2 4.18Å; L837-L917 HydrophobicContact CD1-CB 4.44Å; L837-L917 HydrophobicContact CD1-CD1 4.47Å
838P96.5Very high97.6Very high33 Ų3319 Ų1921%0.21412%0.118CC..  trans-67.6136.1176.228.2-35.8000112R832 A841 V843 V872R832-P838 WeakPolarHBondContact CD-O 3.15Å; R832-P838 PolarHBondContact NH1-O 3.28Å; P838-A841 HydrophobicContact CB-CB 3.81Å; P838-A841 HydrophobicContact CG-CB 3.61Å; P838-V843 HydrophobicContact CG-CG2 4.47Å; P838-V872 HydrophobicContact CG-CB 4.49Å; P838-V872 HydrophobicContact CG-CG1 3.93Å; P838-V872 HydrophobicContact CG-CG2 3.69Å
839E94.2Very high97.5Very high54 Ų5423.1 Ų23.125%0.25214%0.137SC..SBendtrans-73.4-29.1179.8-63.5-62.5160.800112.6R733 R832 S833R733-E839 PolarHBondContact NE-O 3.4Å; R733-E839 VanDerWaalsContact NE-O 3.12Å; R832-E839 WeakPolarHBondContact CB-OE1 3.26Å; S833-E839 PolarHBondContact N-OE1 2.95Å
840D93.3Very high97.5Very high113 Ų11323.1 Ų23.160%0.60414%0.137SC*.SBendtrans-11312-16864.2-25000114.3N870D840-N870 PolarHBondContact O-ND2 3.08Å
841A95.9Very high97.4Very high5 Ų524.8 Ų24.84%0.04114%0.144CC..SBendtrans-120.6162.9179.700000112.7R733 R832 P838 N870R733-A841 PolarHBondContact NH2-O 3Å; R832-A841 PolarHBondContact NH1-O 3.38Å; P838-A841 HydrophobicContact CB-CB 3.81Å; P838-A841 HydrophobicContact CG-CB 3.61Å; A841-N870 WeakPolarHBondContact CB-O 3.44Å; A841-N870 VanDerWaalsContact CB-OD1 3.28Å; A841-N870 WeakPolarHBondContact CB-OD1 3.49Å
842I98.5Very high97.4Very high11 Ų1125.4 Ų25.46%0.05615%0.146CC..EExtended strand (participates in β ladder)trans-72.8130.1169.4-64.4-63.4000109.8Y844 N870 S871 V872 D919 G984 L987 L990I842-Y844 HydrophobicContact CG2-CD2 4.01Å; I842-Y844 HydrophobicContact CG2-CE1 4.34Å; I842-Y844 HydrophobicContact CG2-CE2 3.67Å; I842-Y844 HydrophobicContact CG2-CG 4.48Å; I842-N870 PolarHBondContact N-O 2.87Å; I842-S871 CarbonylContact O-C 3.51Å; I842-S871 WeakPolarHBondContact O-CA 3.35Å; I842-S871 VanDerWaalsContact O-CB 3.32Å; I842-S871 WeakPolarHBondContact O-CB 3.47Å; I842-V872 PolarHBondContact O-N 3.04Å; I842-D919 WeakPolarHBondContact CA-OD2 3.25Å; I842-D919 HydrophobicContact CD1-CB 4.36Å; I842-D919 HydrophobicContact CG2-CB 4.1Å; I842-G984 WeakPolarHBondContact CG1-O 3.45Å; I842-L987 HydrophobicContact CD1-CD2 3.92Å; I842-L990 HydrophobicContact CD1-CD2 3.91Å
843V98.9Very high97.5Very high0 Ų025.4 Ų25.40%015%0.146CC..EExtended strand (participates in β ladder)trans-106.2102.7174.5177.70000108.5R832 L837 P838 V872 W874 A918 D919 V920R832-V843 VanDerWaalsContact NH2-CG2 3.34Å; L837-V843 HydrophobicContact CB-CG2 4.44Å; L837-V843 HydrophobicContact CD1-CG1 4.35Å; L837-V843 HydrophobicContact CD2-CG1 4.22Å; P838-V843 HydrophobicContact CG-CG2 4.47Å; V843-V872 HydrophobicContact CB-CG2 4.38Å; V843-V872 HydrophobicContact CG1-CG2 4.45Å; V843-V872 HydrophobicContact CG2-CG2 3.81Å; V843-W874 HydrophobicContact CG1-CB 3.94Å; V843-W874 HydrophobicContact CG1-CE3 4.13Å; V843-A918 HydrophobicContact CG1-CB 4.4Å; V843-D919 PolarHBondContact N-OD2 3.27Å; V843-D919 PolarHBondContact O-N 3.37Å; V843-V920 PolarHBondContact O-N 3Å
844Y99Very high97.5Very high0 Ų023.7 Ų23.70%013%0.132CC..EExtended strand (participates in β ladder)trans-76.5142.4161.9-65.4-76.2000108.9I842 I864 L865 V872 L873 W874 V920 L922 A980 G984I842-Y844 HydrophobicContact CG2-CD2 4.01Å; I842-Y844 HydrophobicContact CG2-CE1 4.34Å; I842-Y844 HydrophobicContact CG2-CE2 3.67Å; I842-Y844 HydrophobicContact CG2-CG 4.48Å; Y844-I864 HydrophobicContact CD2-CG2 4.41Å; Y844-I864 HydrophobicContact CE1-CG2 4.19Å; Y844-I864 HydrophobicContact CE2-CG2 3.8Å; Y844-L865 HydrophobicContact CD2-CD2 4.07Å; Y844-V872 PolarHBondContact N-O 3.34Å; Y844-L873 CarbonylContact O-C 3.59Å; Y844-L873 WeakPolarHBondContact O-CA 3.27Å; Y844-W874 WeakPolarHBondContact O-CB 3.24Å; Y844-W874 PolarHBondContact O-N 3.36Å; Y844-V920 CarbonylContact C-O 3.48Å; Y844-V920 WeakPolarHBondContact CA-O 3.44Å; Y844-V920 HydrophobicContact CD1-CB 3.76Å; Y844-V920 HydrophobicContact CD1-CG1 4.09Å; Y844-V920 HydrophobicContact CD1-CG2 4.5Å; Y844-V920 HydrophobicContact CE1-CB 3.95Å; Y844-V920 HydrophobicContact CE1-CG1 4.2Å; Y844-V920 HydrophobicContact CE1-CG2 4.25Å; Y844-L922 HydrophobicContact CD1-CD1 3.81Å; Y844-L922 HydrophobicContact CD1-CD2 3.75Å; Y844-L922 HydrophobicContact CD1-CG 3.68Å; Y844-L922 HydrophobicContact CE1-CD2 4.16Å; Y844-L922 HydrophobicContact CG-CD1 3.87Å; Y844-L922 HydrophobicContact CG-CG 4.13Å; Y844-A980 HydrophobicContact CE1-CB 4.27Å; Y844-A980 PolarHBondContact OH-O 3.31Å; Y844-G984 VanDerWaalsContact OH-CA 3.3Å; Y844-G984 WeakPolarHBondContact OH-CA 3.42Å
845C98.9Very high97.6Very high0 Ų023.9 Ų23.90%014%0.136CC..EExtended strand (participates in β ladder)trans-130.7153.9175.272.40000113.4F847 W874 A918 V920 C921 L922C845-F847 HydrophobicContact CB-CD1 4.42Å; C845-F847 HydrophobicContact CB-CE1 3.77Å; C845-F847 HydrophobicContact CB-CE2 4.34Å; C845-F847 HydrophobicContact CB-CZ 3.72Å; C845-W874 CarbonylContact C-O 3.44Å; C845-W874 VanDerWaalsContact CA-O 3.27Å; C845-W874 WeakPolarHBondContact CA-O 3.4Å; C845-W874 HydrophobicContact CB-CB 4.22Å; C845-W874 HydrophobicContact CB-CE3 4.36Å; C845-A918 HydrophobicContact CB-CB 3.85Å; C845-A918 WeakPolarHBondContact SG-CB 3.38Å; C845-V920 PolarHBondContact N-O 3.06Å; C845-C921 CarbonylContact O-C 3.55Å; C845-C921 VanDerWaalsContact O-CA 3.25Å; C845-C921 WeakPolarHBondContact O-CA 3.49Å; C845-C921 PolarHBondContact O-SG 2.9Å; C845-L922 PolarHBondContact O-N 3.32Å
846N98.8Very high97.6Very high1 Ų125 Ų251%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-144.3122.4159.3-174.8-57.7000108N848 W861 W874 L875 L876 L922N846-N848 PolarHBondContact ND2-ND2 3.2Å; N846-N848 VanDerWaalsContact OD1-CB 3.22Å; N846-N848 WeakPolarHBondContact OD1-CB 3.37Å; N846-N848 PolarHBondContact OD1-N 2.99Å; N846-N848 PolarHBondContact OD1-ND2 3.45Å; N846-W861 HydrophobicContact CB-CH2 3.71Å; N846-W861 HydrophobicContact CB-CZ2 4.16Å; N846-W861 HydrophobicContact CB-CZ3 4.45Å; N846-W874 PolarHBondContact N-O 2.95Å; N846-L875 HydrophobicContact CB-CD2 3.87Å; N846-L875 WeakPolarHBondContact O-CA 3.45Å; N846-L876 PolarHBondContact O-N 3.5Å; N846-L922 WeakPolarHBondContact CB-O 3.4Å; N846-L922 PolarHBondContact ND2-O 3.46Å
847F98.6Very high97.7Very high3 Ų322.4 Ų22.41%0.01312%0.12CC..  trans-108.821.5-177.5-52.5-42.1000113.8C845 W874 L876 H911 T932 V936C845-F847 HydrophobicContact CB-CD1 4.42Å; C845-F847 HydrophobicContact CB-CE1 3.77Å; C845-F847 HydrophobicContact CB-CE2 4.34Å; C845-F847 HydrophobicContact CB-CZ 3.72Å; F847-W874 AromaticContact CE1-CD2 3.71Å; F847-W874 HydrophobicContact CE1-CD2 3.71Å; F847-W874 AromaticContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CG 4.2Å; F847-W874 HydrophobicContact CE1-CH2 4.48Å; F847-W874 HydrophobicContact CE1-CZ2 4.49Å; F847-W874 HydrophobicContact CE1-CZ3 4.08Å; F847-W874 HydrophobicContact CZ-CD2 4.04Å; F847-W874 AromaticContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CH2 4.13Å; F847-W874 AromaticContact CZ-CZ3 3.56Å; F847-W874 HydrophobicContact CZ-CZ3 3.56Å; F847-L876 WeakPolarHBondContact O-CD2 3.43Å; F847-H911 VanDerWaalsContact CB-CE1 3.42Å; F847-H911 WeakPolarHBondContact CB-CE1 3.46Å; F847-T932 HydrophobicContact CB-CG2 3.93Å; F847-V936 HydrophobicContact CD2-CG1 4.02Å; F847-V936 HydrophobicContact CE2-CG1 4.41Å
848N98.1Very high97.7Very high5 Ų522 Ų223%0.02712%0.118CC..SBendtrans-73.9163.9170.5-71.5-80.5000110.9N846 K852 G929N846-N848 PolarHBondContact ND2-ND2 3.2Å; N846-N848 VanDerWaalsContact OD1-CB 3.22Å; N846-N848 WeakPolarHBondContact OD1-CB 3.37Å; N846-N848 PolarHBondContact OD1-N 2.99Å; N846-N848 PolarHBondContact OD1-ND2 3.45Å; N848-K852 HydrophobicContact CB-CB 4.48Å; N848-K852 HydrophobicContact CB-CD 3.97Å; N848-K852 PolarHBondContact OD1-NZ 2.73Å; N848-G929 VanDerWaalsContact OD1-CA 3.24Å; N848-G929 WeakPolarHBondContact OD1-CA 3.38Å
849Q96.9Very high97.8Very high87 Ų8723.9 Ų23.941%0.40712%0.124SC..  trans-63.1145.4164-48.5-164.2-3.900109.9Y851 K852 F878Q849-Y851 HydrophobicContact CB-CD1 3.55Å; Q849-Y851 HydrophobicContact CB-CE1 3.63Å; Q849-Y851 HydrophobicContact CG-CD1 4.41Å; Q849-Y851 HydrophobicContact CG-CE1 4.06Å; Q849-Y851 PolarHBondContact O-N 3.34Å; Q849-Y851 VanDerWaalsContact O-N 3.11Å; Q849-K852 PolarHBondContact O-N 2.97Å; Q849-F878 HydrophobicContact CB-CD1 4.11Å; Q849-F878 VanDerWaalsContact CD-CE1 3.44Å; Q849-F878 HydrophobicContact CG-CD1 3.66Å; Q849-F878 HydrophobicContact CG-CE1 4.08Å
850L98Very high98Very high1 Ų121.5 Ų21.51%0.00511%0.112CC..G310 helixtrans-63.9-22.7-170.8-63.3179.5000113.8C477 K852 I853 L876 F878 F902C477-L850 PolarHBondContact SG-O 2.94Å; L850-K852 PolarHBondContact O-N 3.39Å; L850-I853 HydrophobicContact CD2-CD1 3.73Å; L850-I853 WeakPolarHBondContact O-CB 3.37Å; L850-I853 PolarHBondContact O-N 3.1Å; L850-L876 WeakPolarHBondContact CD2-O 3.16Å; L850-F878 WeakPolarHBondContact CG-O 3.17Å; L850-F878 PolarHBondContact N-O 2.91Å; L850-F902 HydrophobicContact CD1-CE1 4.3Å; L850-F902 HydrophobicContact CD2-CE1 4.11Å
851Y97.1Very high98.3Very high35 Ų3516.1 Ų16.114%0.1378%0.084CC..G310 helixtrans-59.9-18.5178.280.1-104.7000113.9Q474 L512 Q849 I853Q474-Y851 PolarHBondContact NE2-O 3.01Å; L512-Y851 HydrophobicContact CD1-CD2 3.57Å; L512-Y851 HydrophobicContact CD1-CE2 3.95Å; L512-Y851 HydrophobicContact CD2-CD2 3.86Å; L512-Y851 HydrophobicContact CD2-CE2 3.89Å; L512-Y851 HydrophobicContact CG-CD2 4.36Å; L512-Y851 HydrophobicContact CG-CE2 4.49Å; Q849-Y851 HydrophobicContact CB-CD1 3.55Å; Q849-Y851 HydrophobicContact CB-CE1 3.63Å; Q849-Y851 HydrophobicContact CG-CD1 4.41Å; Q849-Y851 HydrophobicContact CG-CE1 4.06Å; Q849-Y851 PolarHBondContact O-N 3.34Å; Q849-Y851 VanDerWaalsContact O-N 3.11Å; Y851-I853 VanDerWaalsContact C-N 3.29Å
852K98.5Very high98.4Very high15 Ų1515.9 Ų15.97%0.0658%0.082CC..G310 helixtrans-81.6-8.3176.8-60-167.6-173.41790113.4N848 Q849 L850 T924 C927 N928N848-K852 HydrophobicContact CB-CB 4.48Å; N848-K852 HydrophobicContact CB-CD 3.97Å; N848-K852 PolarHBondContact OD1-NZ 2.73Å; Q849-K852 PolarHBondContact O-N 2.97Å; L850-K852 PolarHBondContact O-N 3.39Å; K852-T924 HydrophobicContact CB-CG2 4.04Å; K852-T924 WeakPolarHBondContact O-CB 3.38Å; K852-T924 WeakPolarHBondContact O-CG2 3.45Å; K852-C927 HydrophobicContact CB-CB 4.42Å; K852-C927 HydrophobicContact CD-CB 4.05Å; K852-C927 WeakPolarHBondContact CD-O 3.47Å; K852-C927 HydrophobicContact CG-CB 4.09Å; K852-N928 PolarHBondContact NZ-O 2.91Å
853I98.6Very high98.4Very high1 Ų117.5 Ų17.51%0.0059%0.091CC..  trans-91131.7176.3-52.8169.2000108.4Q474 W479 L850 Y851 T857 L858 W861 L875 I886 T924Q474-I853 PolarHBondContact NE2-O 3.29Å; W479-I853 HydrophobicContact CH2-CG2 3.94Å; W479-I853 HydrophobicContact CZ2-CG2 4.05Å; L850-I853 HydrophobicContact CD2-CD1 3.73Å; L850-I853 WeakPolarHBondContact O-CB 3.37Å; L850-I853 PolarHBondContact O-N 3.1Å; Y851-I853 VanDerWaalsContact C-N 3.29Å; I853-T857 HydrophobicContact CG2-CG2 4.33Å; I853-L858 HydrophobicContact CG2-CB 4.27Å; I853-W861 HydrophobicContact CD1-CH2 4.03Å; I853-W861 HydrophobicContact CD1-CZ3 3.72Å; I853-W861 HydrophobicContact CG1-CH2 3.9Å; I853-W861 HydrophobicContact CG1-CZ3 3.97Å; I853-W861 HydrophobicContact CG2-CZ3 4.3Å; I853-L875 HydrophobicContact CD1-CD1 4.45Å; I853-I886 HydrophobicContact CD1-CD1 4.48Å; I853-I886 HydrophobicContact CG2-CD1 4.24Å; I853-T924 HydrophobicContact CG1-CG2 3.93Å
854D98.2Very high98.4Very high19 Ų1917.5 Ų17.510%0.1029%0.091CC..  trans-118.3171.1171.278.6-33000110.6S856 T857 L858 L926D854-S856 PolarHBondContact O-N 3.08Å; D854-S856 WeakPolarHBondContact OD2-CB 3.41Å; D854-T857 PolarHBondContact O-N 3.5Å; D854-T857 VanDerWaalsContact O-N 3.13Å; D854-T857 WeakPolarHBondContact OD1-CB 3.31Å; D854-T857 PolarHBondContact OD1-N 3.07Å; D854-T857 PolarHBondContact OD1-OG1 2.98Å; D854-L858 PolarHBondContact O-N 3.04Å; D854-L858 VanDerWaalsContact O-N 3.09Å; D854-L926 HydrophobicContact CB-CD2 4.09Å
855P98.5Very high98.4Very high34 Ų3417.6 Ų17.622%0.2219%0.091CC..Hα-helixtrans-53.5-40.1178.3-27.234.2000113.2W479 Y482 L858 Q859W479-P855 HydrophobicContact CB-CG 4.02Å; W479-P855 HydrophobicContact CD2-CB 4.45Å; W479-P855 HydrophobicContact CD2-CG 3.64Å; W479-P855 HydrophobicContact CE3-CB 4.16Å; W479-P855 HydrophobicContact CE3-CG 3.84Å; W479-P855 HydrophobicContact CG-CG 3.73Å; Y482-P855 HydrophobicContact CD1-CG 4.02Å; Y482-P855 HydrophobicContact CD2-CG 4.02Å; Y482-P855 HydrophobicContact CE1-CG 4.29Å; Y482-P855 HydrophobicContact CE2-CG 4.28Å; Y482-P855 HydrophobicContact CG-CG 3.89Å; P855-L858 PolarHBondContact O-N 2.71Å; P855-Q859 WeakPolarHBondContact O-CB 3.42Å; P855-Q859 PolarHBondContact O-N 3.42Å
856S98.1Very high98.4Very high44 Ų4422.4 Ų22.431%0.30811%0.112SC..Hα-helixtrans-64.3-42180-59.20000112.1D854 Q859 M860D854-S856 PolarHBondContact O-N 3.08Å; D854-S856 WeakPolarHBondContact OD2-CB 3.41Å; S856-Q859 PolarHBondContact O-N 3.27Å; S856-M860 WeakPolarHBondContact O-CG 3.5Å; S856-M860 PolarHBondContact O-N 3.02Å; S856-M860 VanDerWaalsContact O-N 3.1Å
857T98.7Very high98.4Very high1 Ų127.1 Ų27.11%0.00613%0.13CC..Hα-helixtrans-64.6-47.9178-60.50000111.1I853 D854 Q859 M860 W861 T924I853-T857 HydrophobicContact CG2-CG2 4.33Å; D854-T857 PolarHBondContact O-N 3.5Å; D854-T857 VanDerWaalsContact O-N 3.13Å; D854-T857 WeakPolarHBondContact OD1-CB 3.31Å; D854-T857 PolarHBondContact OD1-N 3.07Å; D854-T857 PolarHBondContact OD1-OG1 2.98Å; T857-Q859 VanDerWaalsContact C-N 3.27Å; T857-Q859 PolarHBondContact O-N 3.01Å; T857-M860 PolarHBondContact O-N 3.16Å; T857-W861 HydrophobicContact CG2-CD2 3.94Å; T857-W861 HydrophobicContact CG2-CE3 4.36Å; T857-W861 HydrophobicContact CG2-CH2 3.93Å; T857-W861 HydrophobicContact CG2-CZ2 3.4Å; T857-W861 VanDerWaalsContact CG2-CZ2 3.4Å; T857-W861 HydrophobicContact CG2-CZ3 4.36Å; T857-W861 PolarHBondContact O-N 3.43Å; T857-T924 HydrophobicContact CG2-CG2 4.19Å
858L98.7Very high98.4Very high1 Ų127.3 Ų27.31%0.00513%0.131CC..Hα-helixtrans-64-35.7178.7-171.966.1000111.6W479 I853 D854 P855 W861 A862 I886 M893 I900W479-L858 HydrophobicContact CH2-CB 3.81Å; W479-L858 HydrophobicContact CH2-CD2 3.85Å; W479-L858 HydrophobicContact CH2-CG 4.45Å; W479-L858 HydrophobicContact CZ3-CB 3.98Å; W479-L858 HydrophobicContact CZ3-CD2 3.59Å; W479-L858 HydrophobicContact CZ3-CG 4.43Å; I853-L858 HydrophobicContact CG2-CB 4.27Å; D854-L858 PolarHBondContact O-N 3.04Å; D854-L858 VanDerWaalsContact O-N 3.09Å; P855-L858 PolarHBondContact O-N 2.71Å; L858-W861 HydrophobicContact CD1-CE3 4.32Å; L858-W861 PolarHBondContact O-N 2.96Å; L858-A862 WeakPolarHBondContact O-CB 3.38Å; L858-A862 PolarHBondContact O-N 2.95Å; L858-I886 HydrophobicContact CD1-CG2 4.18Å; L858-I886 HydrophobicContact CD2-CD1 4.27Å; L858-I886 HydrophobicContact CD2-CG2 4.39Å; L858-M893 HydrophobicContact CB-CE 4.28Å; L858-M893 HydrophobicContact CB-SD 4.42Å; L858-M893 HydrophobicContact CD2-CE 4.25Å; L858-M893 HydrophobicContact CD2-SD 4.18Å; L858-M893 HydrophobicContact CG-CE 4.31Å; L858-M893 HydrophobicContact CG-SD 3.97Å; L858-I900 HydrophobicContact CD1-CD1 4.34Å
859Q98.7Very high98.3Very high72 Ų7231.9 Ų31.934%0.33616%0.161SC..Hα-helixtrans-61.5-46175.2-175.161.468.700112.1P855 S856 T857 W861 A862 N863 M893P855-Q859 WeakPolarHBondContact O-CB 3.42Å; P855-Q859 PolarHBondContact O-N 3.42Å; S856-Q859 PolarHBondContact O-N 3.27Å; T857-Q859 VanDerWaalsContact C-N 3.27Å; T857-Q859 PolarHBondContact O-N 3.01Å; Q859-W861 VanDerWaalsContact C-N 3.34Å; Q859-W861 PolarHBondContact O-N 3.32Å; Q859-A862 PolarHBondContact O-N 3.14Å; Q859-N863 PolarHBondContact NE2-OD1 3.04Å; Q859-N863 PolarHBondContact O-N 3.43Å; Q859-N863 PolarHBondContact O-ND2 3.19Å; Q859-N863 PolarHBondContact O-OD1 3.09Å; Q859-M893 HydrophobicContact CB-CE 4.13Å; Q859-M893 HydrophobicContact CB-SD 4.36Å
860M98.8Very high98.3Very high3 Ų332.1 Ų32.12%0.01517%0.165CC..Hα-helixtrans-60.5-44.7175.5-68-170.8-53.700111.3S856 T857 A862 N863 I864 P925 R973 Y976 E977S856-M860 WeakPolarHBondContact O-CG 3.5Å; S856-M860 PolarHBondContact O-N 3.02Å; S856-M860 VanDerWaalsContact O-N 3.1Å; T857-M860 PolarHBondContact O-N 3.16Å; M860-A862 VanDerWaalsContact C-N 3.3Å; M860-A862 PolarHBondContact O-N 2.94Å; M860-N863 WeakPolarHBondContact O-CB 3.42Å; M860-N863 PolarHBondContact O-N 3.1Å; M860-I864 WeakPolarHBondContact O-CG1 3.17Å; M860-I864 PolarHBondContact O-N 3.16Å; M860-P925 HydrophobicContact CE-CG 3.69Å; M860-R973 HydrophobicContact CG-CB 4.24Å; M860-R973 HydrophobicContact CG-CG 4.48Å; M860-R973 HydrophobicContact SD-CB 3.53Å; M860-R973 VanDerWaalsContact SD-CB 3.53Å; M860-R973 HydrophobicContact SD-CG 3.58Å; M860-R973 VanDerWaalsContact SD-CG 3.58Å; M860-Y976 HydrophobicContact CE-CD1 4.05Å; M860-Y976 HydrophobicContact CE-CE1 4.2Å; M860-Y976 HydrophobicContact CE-CG 4.42Å; M860-Y976 HydrophobicContact SD-CD1 4.08Å; M860-Y976 HydrophobicContact SD-CG 4.4Å; M860-E977 HydrophobicContact CB-CG 4.17Å; M860-E977 HydrophobicContact CG-CG 4.44Å
861W98.8Very high98.3Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-64.1-37178.3-63.1-5.9000111.8N846 I853 T857 L858 Q859 I864 L865 L873 L875 L922 T924 Y976N846-W861 HydrophobicContact CB-CH2 3.71Å; N846-W861 HydrophobicContact CB-CZ2 4.16Å; N846-W861 HydrophobicContact CB-CZ3 4.45Å; I853-W861 HydrophobicContact CD1-CH2 4.03Å; I853-W861 HydrophobicContact CD1-CZ3 3.72Å; I853-W861 HydrophobicContact CG1-CH2 3.9Å; I853-W861 HydrophobicContact CG1-CZ3 3.97Å; I853-W861 HydrophobicContact CG2-CZ3 4.3Å; T857-W861 HydrophobicContact CG2-CD2 3.94Å; T857-W861 HydrophobicContact CG2-CE3 4.36Å; T857-W861 HydrophobicContact CG2-CH2 3.93Å; T857-W861 HydrophobicContact CG2-CZ2 3.4Å; T857-W861 VanDerWaalsContact CG2-CZ2 3.4Å; T857-W861 HydrophobicContact CG2-CZ3 4.36Å; T857-W861 PolarHBondContact O-N 3.43Å; L858-W861 HydrophobicContact CD1-CE3 4.32Å; L858-W861 PolarHBondContact O-N 2.96Å; Q859-W861 VanDerWaalsContact C-N 3.34Å; Q859-W861 PolarHBondContact O-N 3.32Å; W861-I864 PolarHBondContact O-N 3.49Å; W861-L865 WeakPolarHBondContact O-CB 3.31Å; W861-L865 WeakPolarHBondContact O-CG 3.41Å; W861-L865 PolarHBondContact O-N 2.93Å; W861-L873 HydrophobicContact CB-CD2 4.22Å; W861-L873 HydrophobicContact CD2-CD2 4.15Å; W861-L873 HydrophobicContact CE3-CD1 4.41Å; W861-L873 HydrophobicContact CE3-CD2 3.48Å; W861-L873 VanDerWaalsContact CE3-CD2 3.48Å; W861-L873 HydrophobicContact CZ3-CD2 4.12Å; W861-L875 HydrophobicContact CH2-CD2 4.35Å; W861-L875 HydrophobicContact CZ3-CD2 3.79Å; W861-L922 HydrophobicContact CG-CD1 4.11Å; W861-L922 HydrophobicContact CZ2-CB 4.34Å; W861-L922 WeakPolarHBondContact CZ2-O 3.47Å; W861-T924 HydrophobicContact CH2-CG2 3.88Å; W861-T924 HydrophobicContact CZ2-CG2 3.95Å; W861-Y976 PolarHBondContact NE1-OH 2.75Å
862A98.7Very high98.4Very high1 Ų131.1 Ų31.11%0.00816%0.163CC..Hα-helixtrans-64.3-40.5173.200000112.7L858 Q859 M860 L865 K866 M893 L895L858-A862 WeakPolarHBondContact O-CB 3.38Å; L858-A862 PolarHBondContact O-N 2.95Å; Q859-A862 PolarHBondContact O-N 3.14Å; M860-A862 VanDerWaalsContact C-N 3.3Å; M860-A862 PolarHBondContact O-N 2.94Å; A862-L865 PolarHBondContact O-N 3.44Å; A862-K866 VanDerWaalsContact O-CG 3.3Å; A862-K866 WeakPolarHBondContact O-CG 3.43Å; A862-K866 PolarHBondContact O-N 2.91Å; A862-M893 HydrophobicContact CB-CB 4.08Å; A862-M893 HydrophobicContact CB-SD 4.06Å; A862-L895 HydrophobicContact CB-CD1 3.61Å; A862-L895 HydrophobicContact CB-CG 4.01Å
863N98.7Very high98.4Very high45 Ų4530.4 Ų30.424%0.24116%0.16CC..Hα-helixtrans-62-44.9174.7-64.7-13.9000111.4Q859 M860 K866 R867 E977Q859-N863 PolarHBondContact NE2-OD1 3.04Å; Q859-N863 PolarHBondContact O-N 3.43Å; Q859-N863 PolarHBondContact O-ND2 3.19Å; Q859-N863 PolarHBondContact O-OD1 3.09Å; M860-N863 WeakPolarHBondContact O-CB 3.42Å; M860-N863 PolarHBondContact O-N 3.1Å; N863-K866 PolarHBondContact O-N 3.13Å; N863-R867 VanDerWaalsContact O-CG 3.31Å; N863-R867 WeakPolarHBondContact O-CG 3.5Å; N863-R867 PolarHBondContact O-N 3.43Å; N863-E977 HydrophobicContact CB-CG 4.47Å; N863-E977 VanDerWaalsContact CB-OE2 3.31Å; N863-E977 WeakPolarHBondContact CB-OE2 3.42Å; N863-E977 PolarHBondContact ND2-OE1 2.68Å
864I98.9Very high98.5Very high0 Ų030.4 Ų30.40%016%0.16CC..Hα-helixtrans-58.8-51.1175.6-67.2159.9000110.7Y844 M860 W861 K866 R867 V868 L922 Y976 E977 A980 V981Y844-I864 HydrophobicContact CD2-CG2 4.41Å; Y844-I864 HydrophobicContact CE1-CG2 4.19Å; Y844-I864 HydrophobicContact CE2-CG2 3.8Å; M860-I864 WeakPolarHBondContact O-CG1 3.17Å; M860-I864 PolarHBondContact O-N 3.16Å; W861-I864 PolarHBondContact O-N 3.49Å; I864-K866 VanDerWaalsContact C-N 3.28Å; I864-K866 PolarHBondContact O-N 2.69Å; I864-R867 CarbonylContact O-C 3.49Å; I864-R867 PolarHBondContact O-N 2.88Å; I864-R867 VanDerWaalsContact O-N 3.09Å; I864-V868 PolarHBondContact O-N 3.39Å; I864-L922 HydrophobicContact CD1-CD1 4Å; I864-L922 HydrophobicContact CD1-CD2 4.28Å; I864-Y976 HydrophobicContact CD1-CD1 4.06Å; I864-Y976 HydrophobicContact CD1-CE1 3.78Å; I864-E977 HydrophobicContact CD1-CG 4.37Å; I864-E977 HydrophobicContact CG1-CB 4.05Å; I864-E977 HydrophobicContact CG1-CG 4.05Å; I864-A980 HydrophobicContact CD1-CB 3.53Å; I864-A980 HydrophobicContact CG1-CB 3.89Å; I864-A980 HydrophobicContact CG2-CB 3.99Å; I864-V981 HydrophobicContact CB-CG2 4.36Å; I864-V981 HydrophobicContact CG1-CG2 4.31Å; I864-V981 HydrophobicContact CG2-CG2 4.17Å
865L98.8Very high98.5Very high2 Ų229.5 Ų29.51%0.0116%0.155CC..Hα-helixtrans-63.2-31.7-179.4-72.6176.8000112.7Y844 W861 A862 V868 S871 L873 L895 R899Y844-L865 HydrophobicContact CD2-CD2 4.07Å; W861-L865 WeakPolarHBondContact O-CB 3.31Å; W861-L865 WeakPolarHBondContact O-CG 3.41Å; W861-L865 PolarHBondContact O-N 2.93Å; A862-L865 PolarHBondContact O-N 3.44Å; L865-V868 CarbonylContact O-C 3.55Å; L865-S871 VanDerWaalsContact CD2-OG 3.3Å; L865-S871 WeakPolarHBondContact CD2-OG 3.18Å; L865-L873 HydrophobicContact CD1-CB 3.82Å; L865-L873 HydrophobicContact CD2-CB 4.28Å; L865-L873 HydrophobicContact CG-CB 4.48Å; L865-L895 HydrophobicContact CB-CD1 4.44Å; L865-L895 HydrophobicContact CB-CD2 3.72Å; L865-L895 HydrophobicContact CD1-CD1 3.73Å; L865-L895 HydrophobicContact CD1-CD2 4.32Å; L865-R899 HydrophobicContact CD1-CB 4.43Å; L865-R899 PolarHBondContact O-NH1 3.25Å; L865-R899 PolarHBondContact O-NH2 3.07Å
866K98.5Very high98.4Very high101 Ų10128.4 Ų28.444%0.43915%0.147SC..Hα-helixtrans-69.9-39.1172.7-73.5171.5-178178.30112.3A862 N863 I864 V868 M893 L895A862-K866 VanDerWaalsContact O-CG 3.3Å; A862-K866 WeakPolarHBondContact O-CG 3.43Å; A862-K866 PolarHBondContact O-N 2.91Å; N863-K866 PolarHBondContact O-N 3.13Å; I864-K866 VanDerWaalsContact C-N 3.28Å; I864-K866 PolarHBondContact O-N 2.69Å; K866-V868 VanDerWaalsContact C-N 3.32Å; K866-M893 WeakPolarHBondContact CE-O 3.43Å; K866-M893 PolarHBondContact NZ-O 3.29Å; K866-L895 HydrophobicContact CG-CD2 4.1Å
867R98.7Very high98.4Very high100 Ų10030.2 Ų30.238%0.37715%0.147SC..Hα-helixtrans-76.1-19.3179.6-69.4169.964-170.8-1.6113.1N863 I864 P869 E977 D978 V981N863-R867 VanDerWaalsContact O-CG 3.31Å; N863-R867 WeakPolarHBondContact O-CG 3.5Å; N863-R867 PolarHBondContact O-N 3.43Å; I864-R867 CarbonylContact O-C 3.49Å; I864-R867 PolarHBondContact O-N 2.88Å; I864-R867 VanDerWaalsContact O-N 3.09Å; R867-P869 WeakPolarHBondContact O-CD 3.12Å; R867-E977 IonicContact NH1-OE2 3.73Å; R867-D978 IonicContact CZ-OD1 2.83Å; R867-D978 VanDerWaalsContact CZ-OD1 3.24Å; R867-D978 IonicContact NH1-OD1 3.32Å; R867-D978 PolarHBondContact NH1-OD1 3.23Å; R867-D978 IonicContact NH2-OD1 3.83Å; R867-D978 PolarHBondContact NH2-OD1 3.32Å; R867-V981 HydrophobicContact CB-CG1 4.08Å; R867-V981 HydrophobicContact CB-CG2 3.62Å; R867-V981 HydrophobicContact CG-CG2 4.45Å
868V98.5Very high98.2Very high6 Ų634.2 Ų34.24%0.03617%0.165CC..SBendtrans-118.683.1172.2-168.60000109.4I864 L865 K866 N870 S871 R899 V981 G984 T985I864-V868 PolarHBondContact O-N 3.39Å; L865-V868 CarbonylContact O-C 3.55Å; K866-V868 VanDerWaalsContact C-N 3.32Å; V868-N870 VanDerWaalsContact C-N 3.31Å; V868-N870 PolarHBondContact O-N 3Å; V868-S871 WeakPolarHBondContact O-CB 3.42Å; V868-S871 PolarHBondContact O-N 3.44Å; V868-S871 PolarHBondContact O-OG 3.02Å; V868-R899 PolarHBondContact O-NH2 3.22Å; V868-R899 VanDerWaalsContact O-NH2 3.09Å; V868-V981 HydrophobicContact CG2-CB 4.25Å; V868-V981 HydrophobicContact CG2-CG1 4.09Å; V868-V981 HydrophobicContact CG2-CG2 4.06Å; V868-G984 WeakPolarHBondContact CG1-O 3.43Å; V868-T985 HydrophobicContact CG1-CG2 4.32Å; V868-T985 HydrophobicContact CG2-CG2 3.96Å
869P96.5Very high98Very high101 Ų10135.2 Ų35.266%0.65617%0.171SC*.SBendtrans-58.9-38.7-170.1-2735.3000114.2R867 S871 R899R867-P869 WeakPolarHBondContact O-CD 3.12Å; P869-S871 VanDerWaalsContact C-N 3.3Å; P869-S871 PolarHBondContact O-N 2.97Å; P869-R899 PolarHBondContact O-NH2 3.38Å
870N96.7Very high97.8Very high92 Ų9234.5 Ų34.549%0.49218%0.178SC..SBendtrans-90.261.9177.7-168.128.1000111.6D840 A841 I842 V868D840-N870 PolarHBondContact O-ND2 3.08Å; A841-N870 WeakPolarHBondContact CB-O 3.44Å; A841-N870 VanDerWaalsContact CB-OD1 3.28Å; A841-N870 WeakPolarHBondContact CB-OD1 3.49Å; I842-N870 PolarHBondContact N-O 2.87Å; V868-N870 VanDerWaalsContact C-N 3.31Å; V868-N870 PolarHBondContact O-N 3Å
871S98.5Very high97.6Very high3 Ų337.4 Ų37.42%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-147.1160.6177.967.80000112.5I842 L865 V868 P869 R899I842-S871 CarbonylContact O-C 3.51Å; I842-S871 WeakPolarHBondContact O-CA 3.35Å; I842-S871 VanDerWaalsContact O-CB 3.32Å; I842-S871 WeakPolarHBondContact O-CB 3.47Å; L865-S871 VanDerWaalsContact CD2-OG 3.3Å; L865-S871 WeakPolarHBondContact CD2-OG 3.18Å; V868-S871 WeakPolarHBondContact O-CB 3.42Å; V868-S871 PolarHBondContact O-N 3.44Å; V868-S871 PolarHBondContact O-OG 3.02Å; P869-S871 VanDerWaalsContact C-N 3.3Å; P869-S871 PolarHBondContact O-N 2.97Å; S871-R899 PolarHBondContact O-NE 3.16Å; S871-R899 PolarHBondContact O-NH2 2.93Å; S871-R899 PolarHBondContact OG-NH2 3.43Å
872V98.8Very high97.5Very high12 Ų1237.4 Ų37.47%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-131.8156.8172-64.30000110P838 I842 V843 Y844 R899 I901P838-V872 HydrophobicContact CG-CB 4.49Å; P838-V872 HydrophobicContact CG-CG1 3.93Å; P838-V872 HydrophobicContact CG-CG2 3.69Å; I842-V872 PolarHBondContact O-N 3.04Å; V843-V872 HydrophobicContact CB-CG2 4.38Å; V843-V872 HydrophobicContact CG1-CG2 4.45Å; V843-V872 HydrophobicContact CG2-CG2 3.81Å; Y844-V872 PolarHBondContact N-O 3.34Å; V872-R899 CarbonylContact C-O 3.54Å; V872-R899 WeakPolarHBondContact CA-O 3.4Å; V872-I901 HydrophobicContact CB-CD1 4.14Å; V872-I901 HydrophobicContact CG1-CD1 4.14Å; V872-I901 HydrophobicContact CG2-CD1 4.04Å
873L98.8Very high97.5Very high1 Ų139.4 Ų39.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-105.3125.6169175.867.7000109.5Y844 W861 L865 L875 R899 I900 I901 L922Y844-L873 CarbonylContact O-C 3.59Å; Y844-L873 WeakPolarHBondContact O-CA 3.27Å; W861-L873 HydrophobicContact CB-CD2 4.22Å; W861-L873 HydrophobicContact CD2-CD2 4.15Å; W861-L873 HydrophobicContact CE3-CD1 4.41Å; W861-L873 HydrophobicContact CE3-CD2 3.48Å; W861-L873 VanDerWaalsContact CE3-CD2 3.48Å; W861-L873 HydrophobicContact CZ3-CD2 4.12Å; L865-L873 HydrophobicContact CD1-CB 3.82Å; L865-L873 HydrophobicContact CD2-CB 4.28Å; L865-L873 HydrophobicContact CG-CB 4.48Å; L873-L875 HydrophobicContact CD1-CD2 4Å; L873-L875 HydrophobicContact CD2-CD1 4.08Å; L873-L875 HydrophobicContact CD2-CD2 3.95Å; L873-L875 HydrophobicContact CD2-CG 4.08Å; L873-L875 HydrophobicContact CG-CD1 4.48Å; L873-L875 HydrophobicContact CG-CD2 3.8Å; L873-L875 HydrophobicContact CG-CG 3.95Å; L873-R899 PolarHBondContact N-O 3.25Å; L873-I900 HydrophobicContact CB-CG1 4.42Å; L873-I900 HydrophobicContact CD2-CD1 4.45Å; L873-I900 HydrophobicContact CD2-CG1 4.45Å; L873-I900 CarbonylContact O-C 3.52Å; L873-I900 WeakPolarHBondContact O-CA 3.48Å; L873-I901 PolarHBondContact O-N 3.36Å; L873-L922 HydrophobicContact CD1-CD1 4.33Å
874W98.8Very high97.4Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-106.9111.5-177.9-172.726.2000110.8Y835 L837 V843 Y844 C845 N846 F847 I901 S903 R914 L917Y835-W874 HydrophobicContact CD1-CH2 4.31Å; Y835-W874 AromaticContact CD1-CZ2 3.74Å; Y835-W874 HydrophobicContact CD1-CZ2 3.74Å; Y835-W874 AromaticContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CZ2 4.13Å; Y835-W874 HydrophobicContact CE1-CZ2 4.46Å; Y835-W874 HydrophobicContact CE2-CH2 4.46Å; Y835-W874 AromaticContact CG-CH2 3.88Å; Y835-W874 HydrophobicContact CG-CH2 3.88Å; Y835-W874 AromaticContact CG-CZ2 3.54Å; Y835-W874 HydrophobicContact CG-CZ2 3.54Å; L837-W874 HydrophobicContact CD1-CD2 3.86Å; L837-W874 HydrophobicContact CD1-CE3 3.61Å; L837-W874 HydrophobicContact CD1-CH2 3.85Å; L837-W874 HydrophobicContact CD1-CZ2 4.1Å; L837-W874 HydrophobicContact CD1-CZ3 3.6Å; L837-W874 HydrophobicContact CD2-CB 4.11Å; L837-W874 HydrophobicContact CD2-CD2 3.82Å; L837-W874 HydrophobicContact CD2-CE3 4.3Å; L837-W874 HydrophobicContact CD2-CG 3.74Å; L837-W874 HydrophobicContact CG-CD2 4.37Å; V843-W874 HydrophobicContact CG1-CB 3.94Å; V843-W874 HydrophobicContact CG1-CE3 4.13Å; Y844-W874 WeakPolarHBondContact O-CB 3.24Å; Y844-W874 PolarHBondContact O-N 3.36Å; C845-W874 CarbonylContact C-O 3.44Å; C845-W874 VanDerWaalsContact CA-O 3.27Å; C845-W874 WeakPolarHBondContact CA-O 3.4Å; C845-W874 HydrophobicContact CB-CB 4.22Å; C845-W874 HydrophobicContact CB-CE3 4.36Å; N846-W874 PolarHBondContact N-O 2.95Å; F847-W874 AromaticContact CE1-CD2 3.71Å; F847-W874 HydrophobicContact CE1-CD2 3.71Å; F847-W874 AromaticContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CG 4.2Å; F847-W874 HydrophobicContact CE1-CH2 4.48Å; F847-W874 HydrophobicContact CE1-CZ2 4.49Å; F847-W874 HydrophobicContact CE1-CZ3 4.08Å; F847-W874 HydrophobicContact CZ-CD2 4.04Å; F847-W874 AromaticContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CH2 4.13Å; F847-W874 AromaticContact CZ-CZ3 3.56Å; F847-W874 HydrophobicContact CZ-CZ3 3.56Å; W874-I901 CarbonylContact C-O 3.59Å; W874-I901 WeakPolarHBondContact CA-O 3.31Å; W874-S903 PolarHBondContact NE1-OG 3.03Å; W874-R914 HydrophobicContact CH2-CB 4Å; W874-R914 HydrophobicContact CH2-CG 3.78Å; W874-R914 HydrophobicContact CZ2-CG 4.48Å; W874-R914 HydrophobicContact CZ3-CG 4.45Å; W874-L917 HydrophobicContact CH2-CD1 4.34Å; W874-L917 HydrophobicContact CZ3-CB 4.26Å
875L98.7Very high97.4Very high1 Ų143.4 Ų43.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-111.4151.6-174.7-61.7-176.7000112.6N846 I853 W861 L873 I886 I900 I901 F902 S903N846-L875 HydrophobicContact CB-CD2 3.87Å; N846-L875 WeakPolarHBondContact O-CA 3.45Å; I853-L875 HydrophobicContact CD1-CD1 4.45Å; W861-L875 HydrophobicContact CH2-CD2 4.35Å; W861-L875 HydrophobicContact CZ3-CD2 3.79Å; L873-L875 HydrophobicContact CD1-CD2 4Å; L873-L875 HydrophobicContact CD2-CD1 4.08Å; L873-L875 HydrophobicContact CD2-CD2 3.95Å; L873-L875 HydrophobicContact CD2-CG 4.08Å; L873-L875 HydrophobicContact CG-CD1 4.48Å; L873-L875 HydrophobicContact CG-CD2 3.8Å; L873-L875 HydrophobicContact CG-CG 3.95Å; L875-I886 HydrophobicContact CD1-CG2 4.05Å; L875-I900 HydrophobicContact CD1-CG2 3.74Å; L875-I900 HydrophobicContact CG-CG2 4.09Å; L875-I901 PolarHBondContact N-O 3.48Å; L875-F902 HydrophobicContact CB-CD1 3.85Å; L875-F902 HydrophobicContact CB-CE1 3.64Å; L875-F902 HydrophobicContact CB-CG 4.46Å; L875-F902 HydrophobicContact CB-CZ 4.08Å; L875-F902 HydrophobicContact CD1-CE1 4.07Å; L875-F902 HydrophobicContact CD1-CE2 4.42Å; L875-F902 HydrophobicContact CD1-CZ 3.76Å; L875-F902 HydrophobicContact CG-CE1 4.5Å; L875-F902 WeakPolarHBondContact O-CA 3.24Å; L875-S903 PolarHBondContact O-N 3.02Å; L875-S903 VanDerWaalsContact O-N 3.08Å
876L97.9Very high97.4Very high10 Ų1043.3 Ų43.35%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-75.1126.3168.6-176.470.4000110.4N846 F847 L850 F878 V905N846-L876 PolarHBondContact O-N 3.5Å; F847-L876 WeakPolarHBondContact O-CD2 3.43Å; L850-L876 WeakPolarHBondContact CD2-O 3.16Å; L876-F878 VanDerWaalsContact C-N 3.28Å; L876-F878 HydrophobicContact CD2-CB 3.87Å; L876-F878 HydrophobicContact CG-CB 3.94Å; L876-F878 PolarHBondContact O-N 3.04Å; L876-V905 HydrophobicContact CD1-CB 4.41Å; L876-V905 HydrophobicContact CD1-CG2 4.02Å; L876-V905 HydrophobicContact CD2-CG2 4.45Å; L876-V905 HydrophobicContact CG-CG2 4.36Å
877R96.3Very high97.4Very high82 Ų8239.4 Ų39.431%0.30921%0.214SC..  trans-76.575.8172.1-174-175.2-70.9126.77.2110.3A880 E883 F902 S903R877-A880 HydrophobicContact CG-CB 3.76Å; R877-E883 IonicContact CZ-OE2 2.87Å; R877-E883 IonicContact NE-OE2 3.11Å; R877-E883 PolarHBondContact NE-OE2 3.43Å; R877-E883 IonicContact NH2-OE1 3.64Å; R877-E883 IonicContact NH2-OE2 2.94Å; R877-E883 PolarHBondContact NH2-OE2 3.15Å; R877-F902 HydrophobicContact CB-CB 4.28Å; R877-F902 HydrophobicContact CB-CD1 4.18Å; R877-F902 PolarHBondContact NH2-O 3.24Å; R877-S903 WeakPolarHBondContact CB-O 3.37Å; R877-S903 PolarHBondContact N-O 2.91Å
878F94.8Very high97.3Very high85 Ų8539.1 Ų39.137%0.37322%0.216SC..SBendtrans-149.9109.9177.6-166.2-113.5000114.7Q849 L850 L876 V905Q849-F878 HydrophobicContact CB-CD1 4.11Å; Q849-F878 VanDerWaalsContact CD-CE1 3.44Å; Q849-F878 HydrophobicContact CG-CD1 3.66Å; Q849-F878 HydrophobicContact CG-CE1 4.08Å; L850-F878 WeakPolarHBondContact CG-O 3.17Å; L850-F878 PolarHBondContact N-O 2.91Å; L876-F878 VanDerWaalsContact C-N 3.28Å; L876-F878 HydrophobicContact CD2-CB 3.87Å; L876-F878 HydrophobicContact CG-CB 3.94Å; L876-F878 PolarHBondContact O-N 3.04Å; F878-V905 HydrophobicContact CB-CG2 3.77Å; F878-V905 HydrophobicContact CD2-CG2 3.77Å; F878-V905 HydrophobicContact CG-CG2 3.87Å
879P94.5Very high97.3Very high23 Ų2340.9 Ų40.915%0.14922%0.223CC..SBendcis-76.2157.4-5.234.4-36.6000112I475 V881 G882I475-P879 HydrophobicContact CG2-CG 3.63Å; I475-P879 WeakPolarHBondContact O-CD 3.36Å; P879-V881 HydrophobicContact CB-CG2 4Å; P879-V881 HydrophobicContact CG-CG2 3.9Å; P879-V881 PolarHBondContact O-N 2.98Å; P879-G882 PolarHBondContact O-N 3.16Å; P879-G882 VanDerWaalsContact O-N 3.1Å
880A95Very high97.4Very high57 Ų5736.2 Ų36.247%0.47119%0.193SC..G310 helixtrans-59.8-30.6-17900000113.8R877 G882 E883R877-A880 HydrophobicContact CG-CB 3.76Å; A880-G882 PolarHBondContact O-N 3.48Å; A880-E883 PolarHBondContact O-N 3.38Å
881V95.5Very high97.5Very high64 Ų6435.4 Ų35.439%0.38819%0.186SC..G310 helixtrans-66.1-14.6178.6-63.80000113.8P446 V476 P879P446-V881 HydrophobicContact CG-CB 4.38Å; P446-V881 HydrophobicContact CG-CG1 3.84Å; P446-V881 HydrophobicContact CG-CG2 4.42Å; V476-V881 HydrophobicContact CB-CG2 4.33Å; V476-V881 HydrophobicContact CG1-CG2 3.57Å; P879-V881 HydrophobicContact CB-CG2 4Å; P879-V881 HydrophobicContact CG-CG2 3.9Å; P879-V881 PolarHBondContact O-N 2.98Å
882G97Very high97.4Very high0 Ų040.5 Ų40.50%021%0.213CC..G310 helixtrans-84.1-18.9175.500000114.7V476 P879 A880 N885 I886V476-G882 VanDerWaalsContact O-CA 3.31Å; V476-G882 WeakPolarHBondContact O-CA 3.1Å; P879-G882 PolarHBondContact O-N 3.16Å; P879-G882 VanDerWaalsContact O-N 3.1Å; A880-G882 PolarHBondContact O-N 3.48Å; G882-N885 PolarHBondContact O-N 3.29Å; G882-I886 PolarHBondContact O-N 3.44Å; G882-I886 VanDerWaalsContact O-N 3.12Å
883E97.4Very high97.4Very high42 Ų4241.5 Ų41.520%0.19622%0.217CC..Hα-helixtrans-58.9-47.6-178.4165.6171.2-175.600113.3R877 A880 N885 I886 Q887 F902R877-E883 IonicContact CZ-OE2 2.87Å; R877-E883 IonicContact NE-OE2 3.11Å; R877-E883 PolarHBondContact NE-OE2 3.43Å; R877-E883 IonicContact NH2-OE1 3.64Å; R877-E883 IonicContact NH2-OE2 2.94Å; R877-E883 PolarHBondContact NH2-OE2 3.15Å; A880-E883 PolarHBondContact O-N 3.38Å; E883-N885 PolarHBondContact O-N 2.96Å; E883-I886 PolarHBondContact O-N 3.49Å; E883-Q887 HydrophobicContact CG-CG 4.29Å; E883-Q887 VanDerWaalsContact O-CG 3.31Å; E883-Q887 WeakPolarHBondContact O-CG 3.36Å; E883-Q887 PolarHBondContact O-N 3.33Å; E883-F902 HydrophobicContact CB-CD1 4.21Å; E883-F902 HydrophobicContact CB-CD2 4.35Å; E883-F902 HydrophobicContact CB-CE1 4.07Å; E883-F902 HydrophobicContact CB-CE2 4.23Å; E883-F902 HydrophobicContact CB-CG 4.33Å; E883-F902 HydrophobicContact CB-CZ 4.08Å; E883-F902 HydrophobicContact CG-CD1 4.3Å; E883-F902 HydrophobicContact CG-CD2 3.6Å; E883-F902 HydrophobicContact CG-CE1 4.36Å; E883-F902 HydrophobicContact CG-CE2 3.7Å; E883-F902 HydrophobicContact CG-CG 3.91Å; E883-F902 HydrophobicContact CG-CZ 4.07Å
884P97.5Very high97.3Very high83 Ų8344 Ų4454%0.53924%0.243SC..Hα-helixtrans-58.8-36.8178.3-24.534.7000112.9Q887 Q888P884-Q887 PolarHBondContact O-N 3.38Å; P884-Q888 WeakPolarHBondContact O-CB 3.37Å; P884-Q888 PolarHBondContact O-N 3.13Å
885N98.2Very high97.2Very high47 Ų4744.3 Ų44.325%0.25125%0.245SC..Hα-helixtrans-67.4-49.8179.1-69.9-21.7000111V476 C477 G882 E883 Q887 Q888 Y889V476-N885 PolarHBondContact O-ND2 3.28Å; C477-N885 HydrophobicContact CB-CB 4.38Å; C477-N885 WeakPolarHBondContact O-CB 3.35Å; G882-N885 PolarHBondContact O-N 3.29Å; E883-N885 PolarHBondContact O-N 2.96Å; N885-Q887 VanDerWaalsContact C-N 3.3Å; N885-Q887 PolarHBondContact O-N 2.92Å; N885-Q888 PolarHBondContact O-N 3Å; N885-Q888 VanDerWaalsContact O-N 3.16Å; N885-Y889 HydrophobicContact CB-CD2 4.48Å; N885-Y889 HydrophobicContact CB-CE2 4.3Å; N885-Y889 WeakPolarHBondContact O-CD2 3.37Å; N885-Y889 PolarHBondContact O-N 3.07Å
886I98.6Very high97.1Very high0 Ų047.8 Ų47.80%027%0.267CS..Hα-helixtrans-57.1-45176-68.6-66.1000111.1C477 W479 I853 L858 L875 G882 E883 Q888 Y889 A890 I900 F902C477-I886 HydrophobicContact CB-CD1 3.74Å; C477-I886 HydrophobicContact CB-CG1 3.99Å; W479-I886 HydrophobicContact CH2-CD1 3.62Å; W479-I886 HydrophobicContact CZ2-CD1 3.98Å; W479-I886 HydrophobicContact CZ3-CD1 4.44Å; I853-I886 HydrophobicContact CD1-CD1 4.48Å; I853-I886 HydrophobicContact CG2-CD1 4.24Å; L858-I886 HydrophobicContact CD1-CG2 4.18Å; L858-I886 HydrophobicContact CD2-CD1 4.27Å; L858-I886 HydrophobicContact CD2-CG2 4.39Å; L875-I886 HydrophobicContact CD1-CG2 4.05Å; G882-I886 PolarHBondContact O-N 3.44Å; G882-I886 VanDerWaalsContact O-N 3.12Å; E883-I886 PolarHBondContact O-N 3.49Å; I886-Q888 PolarHBondContact O-N 2.94Å; I886-Y889 PolarHBondContact O-N 3.45Å; I886-A890 VanDerWaalsContact O-CB 3.3Å; I886-A890 WeakPolarHBondContact O-CB 3.34Å; I886-A890 PolarHBondContact O-N 2.94Å; I886-I900 HydrophobicContact CG2-CD1 4.15Å; I886-F902 HydrophobicContact CB-CZ 4.07Å; I886-F902 HydrophobicContact CG2-CE2 4.41Å; I886-F902 HydrophobicContact CG2-CZ 3.9Å
887Q98.1Very high96.7Very high19 Ų1953.4 Ų53.49%0.08929%0.293CS..Hα-helixtrans-60.5-44.5177.6-70.5-72.24.800111.6E883 P884 N885 A890 Q891 Q897 I900 F902E883-Q887 HydrophobicContact CG-CG 4.29Å; E883-Q887 VanDerWaalsContact O-CG 3.31Å; E883-Q887 WeakPolarHBondContact O-CG 3.36Å; E883-Q887 PolarHBondContact O-N 3.33Å; P884-Q887 PolarHBondContact O-N 3.38Å; N885-Q887 VanDerWaalsContact C-N 3.3Å; N885-Q887 PolarHBondContact O-N 2.92Å; Q887-A890 PolarHBondContact O-N 3.31Å; Q887-Q891 WeakPolarHBondContact O-CB 3.49Å; Q887-Q891 VanDerWaalsContact O-CG 3.28Å; Q887-Q891 WeakPolarHBondContact O-CG 3.42Å; Q887-Q891 PolarHBondContact O-N 3.24Å; Q887-Q897 PolarHBondContact OE1-O 3.27Å; Q887-I900 PolarHBondContact NE2-O 3.39Å; Q887-F902 HydrophobicContact CG-CE2 4.23Å
888Q98Very high96.6Very high94 Ų9455.3 Ų55.344%0.43931%0.309SS..Hα-helixtrans-63.7-45.7178.1-173.362.960.700112.1P884 N885 I886 A890 Q891 N892P884-Q888 WeakPolarHBondContact O-CB 3.37Å; P884-Q888 PolarHBondContact O-N 3.13Å; N885-Q888 PolarHBondContact O-N 3Å; N885-Q888 VanDerWaalsContact O-N 3.16Å; I886-Q888 PolarHBondContact O-N 2.94Å; Q888-A890 PolarHBondContact O-N 2.99Å; Q888-Q891 PolarHBondContact O-N 3.25Å; Q888-N892 PolarHBondContact NE2-OD1 2.98Å; Q888-N892 PolarHBondContact O-N 3.02Å; Q888-N892 PolarHBondContact O-OD1 3.14Å
889Y98.4Very high96.8Very high42 Ų4252.7 Ų52.717%0.16530%0.297CS..Hα-helixtrans-64.4-40177.1-72.5-65.8000111.8C477 W479 T480 N885 I886 Q891 N892 M893C477-Y889 VanDerWaalsContact O-CE2 3.26Å; C477-Y889 WeakPolarHBondContact O-CE2 3.38Å; W479-Y889 VanDerWaalsContact CA-OH 3.29Å; W479-Y889 WeakPolarHBondContact CA-OH 3.34Å; W479-Y889 HydrophobicContact CB-CE1 4.08Å; W479-Y889 HydrophobicContact CB-CE2 4Å; W479-Y889 HydrophobicContact CD2-CD2 4.07Å; W479-Y889 HydrophobicContact CD2-CE2 4.03Å; W479-Y889 AromaticContact CE3-CD1 3.96Å; W479-Y889 HydrophobicContact CE3-CD1 3.96Å; W479-Y889 AromaticContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CE1 4.26Å; W479-Y889 AromaticContact CE3-CE2 3.78Å; W479-Y889 HydrophobicContact CE3-CE2 3.78Å; W479-Y889 AromaticContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CG-CE2 4.16Å; W479-Y889 AromaticContact CZ3-CD2 3.83Å; W479-Y889 HydrophobicContact CZ3-CD2 3.83Å; W479-Y889 AromaticContact CZ3-CG 3.87Å; W479-Y889 HydrophobicContact CZ3-CG 3.87Å; W479-Y889 PolarHBondContact N-OH 3.14Å; T480-Y889 PolarHBondContact N-OH 3.09Å; N885-Y889 HydrophobicContact CB-CD2 4.48Å; N885-Y889 HydrophobicContact CB-CE2 4.3Å; N885-Y889 WeakPolarHBondContact O-CD2 3.37Å; N885-Y889 PolarHBondContact O-N 3.07Å; I886-Y889 PolarHBondContact O-N 3.45Å; Y889-Q891 PolarHBondContact O-N 2.95Å; Y889-N892 PolarHBondContact O-N 3.46Å; Y889-M893 VanDerWaalsContact O-CG 3.23Å; Y889-M893 WeakPolarHBondContact O-CG 3.3Å; Y889-M893 PolarHBondContact O-N 3.44Å
890A98.3Very high97Very high3 Ų351.9 Ų51.93%0.02529%0.291CS..Hα-helixtrans-62.7-41.5174.900000112.3I886 Q887 Q888 M893 G894 L895 I900I886-A890 VanDerWaalsContact O-CB 3.3Å; I886-A890 WeakPolarHBondContact O-CB 3.34Å; I886-A890 PolarHBondContact O-N 2.94Å; Q887-A890 PolarHBondContact O-N 3.31Å; Q888-A890 PolarHBondContact O-N 2.99Å; A890-M893 CarbonylContact O-C 3.21Å; A890-M893 WeakPolarHBondContact O-CA 3.29Å; A890-M893 WeakPolarHBondContact O-CB 3.44Å; A890-M893 PolarHBondContact O-N 2.87Å; A890-G894 PolarHBondContact O-N 3.36Å; A890-L895 HydrophobicContact CB-CB 4.31Å; A890-L895 HydrophobicContact CB-CD1 4.1Å; A890-L895 WeakPolarHBondContact O-CB 3.37Å; A890-L895 PolarHBondContact O-N 3.39Å; A890-I900 HydrophobicContact CB-CD1 3.48Å; A890-I900 VanDerWaalsContact CB-CD1 3.48Å
891Q97.9Very high97.1Very high75 Ų7550.7 Ų50.735%0.3528%0.277SS..Hα-helixtrans-62.1-43.5173.9-74.31749.100112Q887 Q888 Y889 M893 G894 L895Q887-Q891 WeakPolarHBondContact O-CB 3.49Å; Q887-Q891 VanDerWaalsContact O-CG 3.28Å; Q887-Q891 WeakPolarHBondContact O-CG 3.42Å; Q887-Q891 PolarHBondContact O-N 3.24Å; Q888-Q891 PolarHBondContact O-N 3.25Å; Y889-Q891 PolarHBondContact O-N 2.95Å; Q891-M893 PolarHBondContact O-N 3.2Å; Q891-G894 WeakPolarHBondContact O-CA 3.39Å; Q891-G894 PolarHBondContact O-N 3.08Å; Q891-L895 WeakPolarHBondContact CA-O 3.41Å
892N97.6Very high97.3Very high111 Ų11148.3 Ų48.359%0.59426%0.261SS*.Hα-helixtrans-63.1-31.5175.5-64.5-7.1000111.7Q888 Y889 G894Q888-N892 PolarHBondContact NE2-OD1 2.98Å; Q888-N892 PolarHBondContact O-N 3.02Å; Q888-N892 PolarHBondContact O-OD1 3.14Å; Y889-N892 PolarHBondContact O-N 3.46Å; N892-G894 PolarHBondContact O-N 3.42Å
893M98Very high97.3Very high33 Ų3348.6 Ų48.616%0.16326%0.263CS..THydrogen-bonded Turntrans-77.41.4171.2-65.7169.2-175.900112.8L858 Q859 A862 K866 Y889 A890 Q891L858-M893 HydrophobicContact CB-CE 4.28Å; L858-M893 HydrophobicContact CB-SD 4.42Å; L858-M893 HydrophobicContact CD2-CE 4.25Å; L858-M893 HydrophobicContact CD2-SD 4.18Å; L858-M893 HydrophobicContact CG-CE 4.31Å; L858-M893 HydrophobicContact CG-SD 3.97Å; Q859-M893 HydrophobicContact CB-CE 4.13Å; Q859-M893 HydrophobicContact CB-SD 4.36Å; A862-M893 HydrophobicContact CB-CB 4.08Å; A862-M893 HydrophobicContact CB-SD 4.06Å; K866-M893 WeakPolarHBondContact CE-O 3.43Å; K866-M893 PolarHBondContact NZ-O 3.29Å; Y889-M893 VanDerWaalsContact O-CG 3.23Å; Y889-M893 WeakPolarHBondContact O-CG 3.3Å; Y889-M893 PolarHBondContact O-N 3.44Å; A890-M893 CarbonylContact O-C 3.21Å; A890-M893 WeakPolarHBondContact O-CA 3.29Å; A890-M893 WeakPolarHBondContact O-CB 3.44Å; A890-M893 PolarHBondContact O-N 2.87Å; Q891-M893 PolarHBondContact O-N 3.2Å
894G97.2Very high97.2Very high52 Ų5250.1 Ų50.154%0.53628%0.277SS..THydrogen-bonded Turntrans83.723.7176.600000115.2A890 Q891 N892A890-G894 PolarHBondContact O-N 3.36Å; Q891-G894 WeakPolarHBondContact O-CA 3.39Å; Q891-G894 PolarHBondContact O-N 3.08Å; N892-G894 PolarHBondContact O-N 3.42Å
895L97Very high97.1Very high8 Ų850.1 Ų50.14%0.04228%0.275CS..  trans-94.8134.1170.5-72.4175.8000111.9A862 L865 K866 A890 Q891A862-L895 HydrophobicContact CB-CD1 3.61Å; A862-L895 HydrophobicContact CB-CG 4.01Å; L865-L895 HydrophobicContact CB-CD1 4.44Å; L865-L895 HydrophobicContact CB-CD2 3.72Å; L865-L895 HydrophobicContact CD1-CD1 3.73Å; L865-L895 HydrophobicContact CD1-CD2 4.32Å; K866-L895 HydrophobicContact CG-CD2 4.1Å; A890-L895 HydrophobicContact CB-CB 4.31Å; A890-L895 HydrophobicContact CB-CD1 4.1Å; A890-L895 WeakPolarHBondContact O-CB 3.37Å; A890-L895 PolarHBondContact O-N 3.39Å; Q891-L895 WeakPolarHBondContact CA-O 3.41Å
896P95Very high97Very high73 Ų7348.6 Ų48.647%0.47427%0.269SS..  trans-61.1146.7167.7-22.331.4000112.7N898 R899P896-N898 VanDerWaalsContact C-N 3.25Å; P896-N898 WeakPolarHBondContact CB-OD1 3.48Å; P896-N898 PolarHBondContact O-N 3.28Å; P896-R899 HydrophobicContact CB-CG 4.05Å; P896-R899 HydrophobicContact CG-CG 4.17Å; P896-R899 WeakPolarHBondContact O-CB 3.4Å; P896-R899 WeakPolarHBondContact O-CG 3.49Å; P896-R899 PolarHBondContact O-N 3.04Å
897Q91Very high96.9Very high129 Ų12950.5 Ų50.560%0.60328%0.281SS*.G310 helixtrans-57.8-33.2-175.6-170.4178.51.300113.8Q887 R899Q887-Q897 PolarHBondContact OE1-O 3.27Å; Q897-R899 PolarHBondContact O-N 3.04Å
898N94.6Very high96.9Very high121 Ų12151 Ų5165%0.64728%0.283SS*.G310 helixtrans-76.5-1.7-179.867.5-27.3000114.1P896P896-N898 VanDerWaalsContact C-N 3.25Å; P896-N898 WeakPolarHBondContact CB-OD1 3.48Å; P896-N898 PolarHBondContact O-N 3.28Å
899R97.9Very high96.9Very high30 Ų3046.5 Ų46.511%0.11326%0.262CS..G310 helixtrans-81-16.8177.6-60.2-61.2-58.4-76.7-0.4113.3L865 V868 P869 S871 V872 L873 P896 Q897L865-R899 HydrophobicContact CD1-CB 4.43Å; L865-R899 PolarHBondContact O-NH1 3.25Å; L865-R899 PolarHBondContact O-NH2 3.07Å; V868-R899 PolarHBondContact O-NH2 3.22Å; V868-R899 VanDerWaalsContact O-NH2 3.09Å; P869-R899 PolarHBondContact O-NH2 3.38Å; S871-R899 PolarHBondContact O-NE 3.16Å; S871-R899 PolarHBondContact O-NH2 2.93Å; S871-R899 PolarHBondContact OG-NH2 3.43Å; V872-R899 CarbonylContact C-O 3.54Å; V872-R899 WeakPolarHBondContact CA-O 3.4Å; L873-R899 PolarHBondContact N-O 3.25Å; P896-R899 HydrophobicContact CB-CG 4.05Å; P896-R899 HydrophobicContact CG-CG 4.17Å; P896-R899 WeakPolarHBondContact O-CB 3.4Å; P896-R899 WeakPolarHBondContact O-CG 3.49Å; P896-R899 PolarHBondContact O-N 3.04Å; Q897-R899 PolarHBondContact O-N 3.04Å
900I98.4Very high96.9Very high7 Ų745.2 Ų45.24%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-117.9119.3175.6-55.1-176.9000108.7L858 L873 L875 I886 Q887 A890 F902L858-I900 HydrophobicContact CD1-CD1 4.34Å; L873-I900 HydrophobicContact CB-CG1 4.42Å; L873-I900 HydrophobicContact CD2-CD1 4.45Å; L873-I900 HydrophobicContact CD2-CG1 4.45Å; L873-I900 CarbonylContact O-C 3.52Å; L873-I900 WeakPolarHBondContact O-CA 3.48Å; L875-I900 HydrophobicContact CD1-CG2 3.74Å; L875-I900 HydrophobicContact CG-CG2 4.09Å; I886-I900 HydrophobicContact CG2-CD1 4.15Å; Q887-I900 PolarHBondContact NE2-O 3.39Å; A890-I900 HydrophobicContact CB-CD1 3.48Å; A890-I900 VanDerWaalsContact CB-CD1 3.48Å; I900-F902 HydrophobicContact CG2-CD2 4.02Å; I900-F902 HydrophobicContact CG2-CE2 3.48Å; I900-F902 VanDerWaalsContact CG2-CE2 3.48Å; I900-F902 HydrophobicContact CG2-CZ 4.13Å
901I98.4Very high96.9Very high32 Ų3246 Ų4616%0.16426%0.261CS..EExtended strand (participates in β ladder)trans-109.3134.7179.9-60.5172.3000108.2L837 V872 L873 W874 L875L837-I901 HydrophobicContact CD2-CB 4.41Å; L837-I901 HydrophobicContact CD2-CD1 3.95Å; L837-I901 HydrophobicContact CD2-CG2 4.18Å; V872-I901 HydrophobicContact CB-CD1 4.14Å; V872-I901 HydrophobicContact CG1-CD1 4.14Å; V872-I901 HydrophobicContact CG2-CD1 4.04Å; L873-I901 PolarHBondContact O-N 3.36Å; W874-I901 CarbonylContact C-O 3.59Å; W874-I901 WeakPolarHBondContact CA-O 3.31Å; L875-I901 PolarHBondContact N-O 3.48Å
902F98.3Very high96.9Very high14 Ų1442.5 Ų42.56%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-112.1135177.5-79-93.3000111.2L850 L875 R877 E883 I886 Q887 I900L850-F902 HydrophobicContact CD1-CE1 4.3Å; L850-F902 HydrophobicContact CD2-CE1 4.11Å; L875-F902 HydrophobicContact CB-CD1 3.85Å; L875-F902 HydrophobicContact CB-CE1 3.64Å; L875-F902 HydrophobicContact CB-CG 4.46Å; L875-F902 HydrophobicContact CB-CZ 4.08Å; L875-F902 HydrophobicContact CD1-CE1 4.07Å; L875-F902 HydrophobicContact CD1-CE2 4.42Å; L875-F902 HydrophobicContact CD1-CZ 3.76Å; L875-F902 HydrophobicContact CG-CE1 4.5Å; L875-F902 WeakPolarHBondContact O-CA 3.24Å; R877-F902 HydrophobicContact CB-CB 4.28Å; R877-F902 HydrophobicContact CB-CD1 4.18Å; R877-F902 PolarHBondContact NH2-O 3.24Å; E883-F902 HydrophobicContact CB-CD1 4.21Å; E883-F902 HydrophobicContact CB-CD2 4.35Å; E883-F902 HydrophobicContact CB-CE1 4.07Å; E883-F902 HydrophobicContact CB-CE2 4.23Å; E883-F902 HydrophobicContact CB-CG 4.33Å; E883-F902 HydrophobicContact CB-CZ 4.08Å; E883-F902 HydrophobicContact CG-CD1 4.3Å; E883-F902 HydrophobicContact CG-CD2 3.6Å; E883-F902 HydrophobicContact CG-CE1 4.36Å; E883-F902 HydrophobicContact CG-CE2 3.7Å; E883-F902 HydrophobicContact CG-CG 3.91Å; E883-F902 HydrophobicContact CG-CZ 4.07Å; I886-F902 HydrophobicContact CB-CZ 4.07Å; I886-F902 HydrophobicContact CG2-CE2 4.41Å; I886-F902 HydrophobicContact CG2-CZ 3.9Å; Q887-F902 HydrophobicContact CG-CE2 4.23Å; I900-F902 HydrophobicContact CG2-CD2 4.02Å; I900-F902 HydrophobicContact CG2-CE2 3.48Å; I900-F902 VanDerWaalsContact CG2-CE2 3.48Å; I900-F902 HydrophobicContact CG2-CZ 4.13Å
903S96.9Very high97Very high5 Ų537.2 Ų37.24%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-119.7149.7169.9-70.60000111.7W874 L875 R877W874-S903 PolarHBondContact NE1-OG 3.03Å; L875-S903 PolarHBondContact O-N 3.02Å; L875-S903 VanDerWaalsContact O-N 3.08Å; R877-S903 WeakPolarHBondContact CB-O 3.37Å; R877-S903 PolarHBondContact N-O 2.91Å
904P96Very high97Very high75 Ų7535.6 Ų35.649%0.48721%0.208SC..  trans-61.9162.7177.328.3-35.3000111.7A906 R914P904-A906 PolarHBondContact O-N 3.45Å; P904-R914 PolarHBondContact O-NH1 3.36Å; P904-R914 PolarHBondContact O-NH2 3.47Å
905V95.2Very high97.1Very high83 Ų8333.2 Ų33.250%0.50318%0.183SC..  trans-57.4131.2163-1750000108.1L876 F878L876-V905 HydrophobicContact CD1-CB 4.41Å; L876-V905 HydrophobicContact CD1-CG2 4.02Å; L876-V905 HydrophobicContact CD2-CG2 4.45Å; L876-V905 HydrophobicContact CG-CG2 4.36Å; F878-V905 HydrophobicContact CB-CG2 3.77Å; F878-V905 HydrophobicContact CD2-CG2 3.77Å; F878-V905 HydrophobicContact CG-CG2 3.87Å
906A95.8Very high97.2Very high15 Ų1532.8 Ų32.812%0.12418%0.181CC..  trans-110.8157.5-179.600000109.9P904 E910 H911P904-A906 PolarHBondContact O-N 3.45Å; A906-E910 HydrophobicContact CB-CB 4.02Å; A906-E910 HydrophobicContact CB-CG 3.96Å; A906-H911 HydrophobicContact CB-CB 4.43Å
907P96.4Very high97.4Very high40 Ų4029.3 Ų29.326%0.2616%0.159SC..  trans-50.7152166-2231.6000111.2T811 A818 E909 E910 H911T811-P907 HydrophobicContact CG2-CB 4.28Å; T811-P907 HydrophobicContact CG2-CG 3.47Å; T811-P907 VanDerWaalsContact CG2-CG 3.47Å; A818-P907 HydrophobicContact CB-CB 3.85Å; A818-P907 HydrophobicContact CB-CG 4.33Å; A818-P907 CarbonylContact O-C 3.55Å; A818-P907 WeakPolarHBondContact O-CB 3.4Å; P907-E909 VanDerWaalsContact C-N 3.33Å; P907-E909 PolarHBondContact O-N 2.7Å; P907-E910 PolarHBondContact O-N 3.05Å; P907-H911 PolarHBondContact O-N 2.98Å
908K97.9Very high97.7Very high28 Ų2823.2 Ų23.212%0.12213%0.13CC..Hα-helixtrans-55.9-44-169.3-176.667-176.3176.10113H572 M711 F712 A818 T819 H911 V912 D935H572-K908 WeakPolarHBondContact ND1-CE 3.38Å; M711-K908 HydrophobicContact CE-CG 4.49Å; F712-K908 HydrophobicContact CZ-CG 3.88Å; A818-K908 PolarHBondContact O-N 3.3Å; T819-K908 WeakPolarHBondContact O-CB 3.16Å; K908-H911 PolarHBondContact O-N 3.3Å; K908-V912 WeakPolarHBondContact O-CG2 3.47Å; K908-V912 PolarHBondContact O-N 3.46Å; K908-V912 VanDerWaalsContact O-N 3.16Å; K908-D935 IonicContact NZ-OD1 3.57Å; K908-D935 PolarHBondContact NZ-OD1 3.45Å; K908-D935 IonicContact NZ-OD2 3.96Å; K908-D935 PolarHBondContact NZ-OD2 3.2Å
909E98.6Very high97.9Very high0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-62.9-45177.8-175-78.7159.600111.8F712 H714 A817 A818 P824 P907 H911 V912 R913F712-E909 HydrophobicContact CD1-CB 4.39Å; F712-E909 HydrophobicContact CD1-CG 4.19Å; F712-E909 HydrophobicContact CE1-CB 4.02Å; F712-E909 HydrophobicContact CE1-CG 4.32Å; H714-E909 IonicContact CD2-OE1 3.28Å; H714-E909 IonicContact CE1-OE1 2.82Å; H714-E909 IonicContact NE2-OE1 3.43Å; H714-E909 PolarHBondContact NE2-OE1 3.31Å; A817-E909 VanDerWaalsContact O-CB 3.26Å; A817-E909 WeakPolarHBondContact O-CB 3.41Å; A818-E909 WeakPolarHBondContact O-CB 3.06Å; A818-E909 PolarHBondContact O-N 2.91Å; P824-E909 HydrophobicContact CG-CG 4.09Å; P907-E909 VanDerWaalsContact C-N 3.33Å; P907-E909 PolarHBondContact O-N 2.7Å; E909-H911 VanDerWaalsContact C-N 3.35Å; E909-H911 PolarHBondContact O-N 3.48Å; E909-V912 PolarHBondContact O-N 3.15Å; E909-R913 VanDerWaalsContact CD-NE 3.31Å; E909-R913 WeakPolarHBondContact O-CB 3.32Å; E909-R913 PolarHBondContact O-N 2.98Å; E909-R913 VanDerWaalsContact OE1-CD 3.27Å; E909-R913 WeakPolarHBondContact OE1-CD 3.4Å; E909-R913 IonicContact OE1-CZ 3.35Å; E909-R913 IonicContact OE1-NE 2.79Å; E909-R913 PolarHBondContact OE1-NE 3.33Å; E909-R913 IonicContact OE2-CZ 2.8Å; E909-R913 IonicContact OE2-NE 3.59Å; E909-R913 PolarHBondContact OE2-NE 3.38Å; E909-R913 IonicContact OE2-NH2 3.46Å; E909-R913 PolarHBondContact OE2-NH2 2.93Å
910E98.6Very high98Very high16 Ų1616.2 Ų16.28%0.07510%0.095CC..Hα-helixtrans-65.7-40.5179.2-176-166.4145.700110.9Y835 A906 P907 V912 R913 R914Y835-E910 WeakPolarHBondContact CE1-OE1 3.48Å; Y835-E910 VanDerWaalsContact OH-CD 3.26Å; Y835-E910 WeakPolarHBondContact OH-CG 3.31Å; Y835-E910 PolarHBondContact OH-OE1 3.24Å; A906-E910 HydrophobicContact CB-CB 4.02Å; A906-E910 HydrophobicContact CB-CG 3.96Å; P907-E910 PolarHBondContact O-N 3.05Å; E910-V912 VanDerWaalsContact C-N 3.34Å; E910-V912 PolarHBondContact O-N 3.01Å; E910-R913 PolarHBondContact O-N 3.5Å; E910-R914 VanDerWaalsContact O-CB 3.28Å; E910-R914 WeakPolarHBondContact O-CB 3.47Å; E910-R914 VanDerWaalsContact O-CG 3.27Å; E910-R914 WeakPolarHBondContact O-CG 3.41Å; E910-R914 PolarHBondContact O-N 3.31Å
911H98.2Very high98Very high19 Ų1916 Ų169%0.0889%0.094CC..Hα-helixtrans-57-45.9176.6178.191.8000112F847 A906 P907 K908 E909 D935F847-H911 VanDerWaalsContact CB-CE1 3.42Å; F847-H911 WeakPolarHBondContact CB-CE1 3.46Å; A906-H911 HydrophobicContact CB-CB 4.43Å; P907-H911 PolarHBondContact O-N 2.98Å; K908-H911 PolarHBondContact O-N 3.3Å; E909-H911 VanDerWaalsContact C-N 3.35Å; E909-H911 PolarHBondContact O-N 3.48Å; H911-D935 IonicContact CD2-OD2 3.36Å; H911-D935 PolarHBondContact CD2-OD2 2.89Å; H911-D935 IonicContact NE2-OD2 3.67Å
912V98.7Very high98Very high1 Ų114.5 Ų14.51%0.0069%0.086CC..Hα-helixtrans-70.1-49.5177.1179.20000110.2F712 L715 K908 E909 E910 R914 G915 D935 W938F712-V912 HydrophobicContact CD2-CB 4.42Å; F712-V912 HydrophobicContact CD2-CG1 4.09Å; F712-V912 HydrophobicContact CD2-CG2 4.24Å; F712-V912 HydrophobicContact CE2-CB 4.36Å; F712-V912 HydrophobicContact CE2-CG1 4.42Å; F712-V912 HydrophobicContact CE2-CG2 3.74Å; F712-V912 HydrophobicContact CZ-CG2 4.08Å; L715-V912 HydrophobicContact CD1-CB 4.41Å; L715-V912 HydrophobicContact CD1-CG1 3.73Å; K908-V912 WeakPolarHBondContact O-CG2 3.47Å; K908-V912 PolarHBondContact O-N 3.46Å; K908-V912 VanDerWaalsContact O-N 3.16Å; E909-V912 PolarHBondContact O-N 3.15Å; E910-V912 VanDerWaalsContact C-N 3.34Å; E910-V912 PolarHBondContact O-N 3.01Å; V912-R914 PolarHBondContact O-N 2.91Å; V912-G915 PolarHBondContact O-N 3.08Å; V912-G915 VanDerWaalsContact O-N 3.11Å; V912-D935 HydrophobicContact CG2-CB 3.94Å; V912-W938 HydrophobicContact CG1-CB 4.41Å
913R98.8Very high98Very high0 Ų013.9 Ų13.90%08%0.084CC..Hα-helixtrans-60.5-43.1-176.3176.4169.946.171.32.7112.8L715 G807 T830 E909 E910 G915 Q916L715-R913 HydrophobicContact CD1-CB 4.21Å; L715-R913 HydrophobicContact CD2-CB 4.08Å; L715-R913 HydrophobicContact CD2-CG 3.97Å; G807-R913 PolarHBondContact O-NH2 3.11Å; T830-R913 HydrophobicContact CG2-CG 4.35Å; T830-R913 VanDerWaalsContact OG1-CD 3.26Å; T830-R913 WeakPolarHBondContact OG1-CD 3.39Å; T830-R913 WeakPolarHBondContact OG1-CG 3.05Å; T830-R913 PolarHBondContact OG1-NH1 2.92Å; E909-R913 VanDerWaalsContact CD-NE 3.31Å; E909-R913 WeakPolarHBondContact O-CB 3.32Å; E909-R913 PolarHBondContact O-N 2.98Å; E909-R913 VanDerWaalsContact OE1-CD 3.27Å; E909-R913 WeakPolarHBondContact OE1-CD 3.4Å; E909-R913 IonicContact OE1-CZ 3.35Å; E909-R913 IonicContact OE1-NE 2.79Å; E909-R913 PolarHBondContact OE1-NE 3.33Å; E909-R913 IonicContact OE2-CZ 2.8Å; E909-R913 IonicContact OE2-NE 3.59Å; E909-R913 PolarHBondContact OE2-NE 3.38Å; E909-R913 IonicContact OE2-NH2 3.46Å; E909-R913 PolarHBondContact OE2-NH2 2.93Å; E910-R913 PolarHBondContact O-N 3.5Å; R913-G915 PolarHBondContact O-N 2.92Å; R913-Q916 WeakPolarHBondContact O-CB 3.49Å; R913-Q916 WeakPolarHBondContact O-CG 3.47Å; R913-Q916 PolarHBondContact O-N 3.4Å; R913-Q916 VanDerWaalsContact O-N 3.11Å; R913-Q916 PolarHBondContact O-NE2 3.09Å
914R98.6Very high98.1Very high0 Ų013.6 Ų13.60%08%0.082CC..Hα-helixtrans-67.8-19.118081.3-175.2-175.9179.91.6112.7T830 Y835 W874 P904 E910 V912 Q916 L917T830-R914 HydrophobicContact CG2-CB 4.43Å; Y835-R914 HydrophobicContact CE2-CB 3.84Å; W874-R914 HydrophobicContact CH2-CB 4Å; W874-R914 HydrophobicContact CH2-CG 3.78Å; W874-R914 HydrophobicContact CZ2-CG 4.48Å; W874-R914 HydrophobicContact CZ3-CG 4.45Å; P904-R914 PolarHBondContact O-NH1 3.36Å; P904-R914 PolarHBondContact O-NH2 3.47Å; E910-R914 VanDerWaalsContact O-CB 3.28Å; E910-R914 WeakPolarHBondContact O-CB 3.47Å; E910-R914 VanDerWaalsContact O-CG 3.27Å; E910-R914 WeakPolarHBondContact O-CG 3.41Å; E910-R914 PolarHBondContact O-N 3.31Å; V912-R914 PolarHBondContact O-N 2.91Å; R914-Q916 PolarHBondContact O-N 2.91Å; R914-Q916 VanDerWaalsContact O-N 3.14Å; R914-L917 WeakPolarHBondContact O-CB 3.4Å; R914-L917 WeakPolarHBondContact O-CG 3.26Å; R914-L917 PolarHBondContact O-N 2.92Å
915G98.6Very high98.3Very high1 Ų110.5 Ų10.51%0.016%0.062CC..G310 helixtrans-57.2-23.7170.300000113.4V912 R913 L917 A918 T941V912-G915 PolarHBondContact O-N 3.08Å; V912-G915 VanDerWaalsContact O-N 3.11Å; R913-G915 PolarHBondContact O-N 2.92Å; G915-L917 PolarHBondContact O-N 3.3Å; G915-A918 PolarHBondContact O-N 3.22Å; G915-T941 PolarHBondContact O-OG1 2.99Å
916Q98.8Very high98.4Very high0 Ų08.1 Ų8.10%05%0.046CC..G310 helixtrans-64.6-23.6175.5-67.9175106.900112.7N732 N737 R913 R914 A939N732-Q916 WeakPolarHBondContact CB-O 3.32Å; N737-Q916 PolarHBondContact ND2-OE1 3.49Å; N737-Q916 PolarHBondContact OD1-NE2 3.38Å; N737-Q916 PolarHBondContact OD1-OE1 2.91Å; R913-Q916 WeakPolarHBondContact O-CB 3.49Å; R913-Q916 WeakPolarHBondContact O-CG 3.47Å; R913-Q916 PolarHBondContact O-N 3.4Å; R913-Q916 VanDerWaalsContact O-N 3.11Å; R913-Q916 PolarHBondContact O-NE2 3.09Å; R914-Q916 PolarHBondContact O-N 2.91Å; R914-Q916 VanDerWaalsContact O-N 3.14Å; Q916-A939 HydrophobicContact CG-CB 3.87Å
917L98.7Very high98.5Very high0 Ų07.4 Ų7.40%04%0.04CC..G310 helixtrans-76.9-21.8-178.3-58.7179.5000113.5N732 V735 T830 T831 R832 Y835 L837 W874 R914 G915N732-L917 WeakPolarHBondContact O-CA 3.22Å; N732-L917 WeakPolarHBondContact O-CD2 3.49Å; V735-L917 HydrophobicContact CG2-CD2 4.16Å; T830-L917 HydrophobicContact CG2-CD1 3.9Å; T830-L917 HydrophobicContact CG2-CD2 4.16Å; T830-L917 HydrophobicContact CG2-CG 4.02Å; T831-L917 WeakPolarHBondContact O-CD1 3.41Å; R832-L917 HydrophobicContact CG-CB 4.29Å; R832-L917 HydrophobicContact CG-CD2 4.42Å; R832-L917 PolarHBondContact NE-O 3.14Å; R832-L917 VanDerWaalsContact NE-O 3.15Å; R832-L917 PolarHBondContact NH2-O 2.92Å; Y835-L917 HydrophobicContact CD2-CD1 3.47Å; Y835-L917 VanDerWaalsContact CD2-CD1 3.47Å; Y835-L917 HydrophobicContact CE2-CD1 3.7Å; L837-L917 HydrophobicContact CD1-CB 4.44Å; L837-L917 HydrophobicContact CD1-CD1 4.47Å; W874-L917 HydrophobicContact CH2-CD1 4.34Å; W874-L917 HydrophobicContact CZ3-CB 4.26Å; R914-L917 WeakPolarHBondContact O-CB 3.4Å; R914-L917 WeakPolarHBondContact O-CG 3.26Å; R914-L917 PolarHBondContact O-N 2.92Å; G915-L917 PolarHBondContact O-N 3.3Å
918A98.8Very high98.6Very high0 Ų05.5 Ų5.50%03%0.028CC..  trans-74.4152.9177.200000110.8N732 V843 C845 G915 T941 R994N732-A918 PolarHBondContact ND2-O 2.93Å; V843-A918 HydrophobicContact CG1-CB 4.4Å; C845-A918 HydrophobicContact CB-CB 3.85Å; C845-A918 WeakPolarHBondContact SG-CB 3.38Å; G915-A918 PolarHBondContact O-N 3.22Å; A918-T941 HydrophobicContact CB-CG2 4.02Å; A918-R994 PolarHBondContact O-NH1 3.44Å
919D98.8Very high98.6Very high4 Ų44.2 Ų4.22%0.0212%0.023CC..SBendtrans-87.7-45.8172.2-65.8-65.3000110.4N732 R733 R832 I842 V843 P942 L990 R994N732-D919 PolarHBondContact ND2-OD1 3.4Å; R733-D919 IonicContact CZ-OD1 3.21Å; R733-D919 IonicContact NH1-OD1 2.81Å; R733-D919 PolarHBondContact NH1-OD1 2.64Å; R733-D919 IonicContact NH1-OD2 2.65Å; R832-D919 IonicContact CZ-OD2 3.41Å; R832-D919 IonicContact NH2-OD1 3.4Å; R832-D919 IonicContact NH2-OD2 2.62Å; R832-D919 PolarHBondContact NH2-OD2 2.93Å; I842-D919 WeakPolarHBondContact CA-OD2 3.25Å; I842-D919 HydrophobicContact CD1-CB 4.36Å; I842-D919 HydrophobicContact CG2-CB 4.1Å; V843-D919 PolarHBondContact N-OD2 3.27Å; V843-D919 PolarHBondContact O-N 3.37Å; D919-P942 WeakPolarHBondContact O-CD 3.38Å; D919-L990 HydrophobicContact CB-CD2 4.1Å; D919-R994 PolarHBondContact O-NH1 3.2Å
920V98.9Very high98.6Very high0 Ų05.4 Ų5.40%03%0.028CC..EExtended strand (participates in β ladder)trans-144138.7-176.5-178.80000109.9V843 Y844 C845 L922 P942 V944 L983 L990V843-V920 PolarHBondContact O-N 3Å; Y844-V920 CarbonylContact C-O 3.48Å; Y844-V920 WeakPolarHBondContact CA-O 3.44Å; Y844-V920 HydrophobicContact CD1-CB 3.76Å; Y844-V920 HydrophobicContact CD1-CG1 4.09Å; Y844-V920 HydrophobicContact CD1-CG2 4.5Å; Y844-V920 HydrophobicContact CE1-CB 3.95Å; Y844-V920 HydrophobicContact CE1-CG1 4.2Å; Y844-V920 HydrophobicContact CE1-CG2 4.25Å; C845-V920 PolarHBondContact N-O 3.06Å; V920-L922 HydrophobicContact CG1-CD2 4.26Å; V920-P942 CarbonylContact C-O 3.59Å; V920-V944 HydrophobicContact CG1-CG2 3.8Å; V920-L983 HydrophobicContact CG1-CD1 3.99Å; V920-L983 HydrophobicContact CG2-CB 3.68Å; V920-L983 HydrophobicContact CG2-CD1 4.09Å; V920-L983 HydrophobicContact CG2-CG 4.39Å; V920-L990 HydrophobicContact CG2-CD1 3.73Å
921C98.9Very high98.6Very high2 Ų25.7 Ų5.71%0.0143%0.031CC..EExtended strand (participates in β ladder)trans-91.7130.3166.8-176.90000110.1C845 V936 T941 P942 M943 V944C845-C921 CarbonylContact O-C 3.55Å; C845-C921 VanDerWaalsContact O-CA 3.25Å; C845-C921 WeakPolarHBondContact O-CA 3.49Å; C845-C921 PolarHBondContact O-SG 2.9Å; C921-V936 HydrophobicContact CB-CB 4.31Å; C921-V936 HydrophobicContact CB-CG1 4.43Å; C921-V936 HydrophobicContact CB-CG2 4.03Å; C921-T941 HydrophobicContact CB-CG2 4.24Å; C921-P942 PolarHBondContact N-O 3.38Å; C921-M943 HydrophobicContact CB-CB 4.1Å; C921-M943 HydrophobicContact CB-CG 4.17Å; C921-M943 CarbonylContact O-C 3.58Å; C921-M943 WeakPolarHBondContact O-CA 3.46Å; C921-V944 PolarHBondContact O-N 3.26Å
922L99Very high98.6Very high1 Ų15.9 Ų5.91%0.0053%0.033CC..EExtended strand (participates in β ladder)trans-100.3103.2173.1-66-173000107.9Y844 C845 N846 W861 I864 L873 V920 V944 Y976 A980Y844-L922 HydrophobicContact CD1-CD1 3.81Å; Y844-L922 HydrophobicContact CD1-CD2 3.75Å; Y844-L922 HydrophobicContact CD1-CG 3.68Å; Y844-L922 HydrophobicContact CE1-CD2 4.16Å; Y844-L922 HydrophobicContact CG-CD1 3.87Å; Y844-L922 HydrophobicContact CG-CG 4.13Å; C845-L922 PolarHBondContact O-N 3.32Å; N846-L922 WeakPolarHBondContact CB-O 3.4Å; N846-L922 PolarHBondContact ND2-O 3.46Å; W861-L922 HydrophobicContact CG-CD1 4.11Å; W861-L922 HydrophobicContact CZ2-CB 4.34Å; W861-L922 WeakPolarHBondContact CZ2-O 3.47Å; I864-L922 HydrophobicContact CD1-CD1 4Å; I864-L922 HydrophobicContact CD1-CD2 4.28Å; L873-L922 HydrophobicContact CD1-CD1 4.33Å; V920-L922 HydrophobicContact CG1-CD2 4.26Å; L922-V944 HydrophobicContact CD2-CB 4.36Å; L922-V944 HydrophobicContact CD2-CG2 4.49Å; L922-Y976 VanDerWaalsContact C-OH 3.22Å; L922-Y976 WeakPolarHBondContact CA-OH 3.49Å; L922-Y976 VanDerWaalsContact CB-OH 3.23Å; L922-Y976 WeakPolarHBondContact CB-OH 3.5Å; L922-Y976 HydrophobicContact CD2-CE1 4.37Å; L922-A980 HydrophobicContact CD2-CB 3.69Å
923D98.9Very high98.6Very high1 Ų15.8 Ų5.81%0.0053%0.033CC..  trans-69.2161.7-179.1-173.435.9000112.3P925 N928 G929 M943 V944 T945 A956 Y976D923-P925 WeakPolarHBondContact O-CD 3.42Å; D923-N928 WeakPolarHBondContact OD1-CA 3.39Å; D923-N928 VanDerWaalsContact OD2-CB 3.27Å; D923-N928 WeakPolarHBondContact OD2-CB 3.45Å; D923-N928 PolarHBondContact OD2-ND2 3.48Å; D923-G929 PolarHBondContact OD1-N 3.39Å; D923-M943 HydrophobicContact CB-CG 3.91Å; D923-M943 HydrophobicContact CB-SD 4.06Å; D923-V944 WeakPolarHBondContact CB-O 3.48Å; D923-V944 PolarHBondContact N-O 2.69Å; D923-T945 WeakPolarHBondContact OD2-CB 3.22Å; D923-T945 PolarHBondContact OD2-OG1 3.15Å; D923-A956 WeakPolarHBondContact OD2-CB 3.24Å; D923-Y976 PolarHBondContact N-OH 3.44Å; D923-Y976 PolarHBondContact O-OH 3Å
924T98.8Very high98.6Very high0 Ų05.8 Ų5.80%03%0.033CC..  trans-94.2111.5176.934.20000110.2K852 I853 T857 W861 L926 C927 N928K852-T924 HydrophobicContact CB-CG2 4.04Å; K852-T924 WeakPolarHBondContact O-CB 3.38Å; K852-T924 WeakPolarHBondContact O-CG2 3.45Å; I853-T924 HydrophobicContact CG1-CG2 3.93Å; T857-T924 HydrophobicContact CG2-CG2 4.19Å; W861-T924 HydrophobicContact CH2-CG2 3.88Å; W861-T924 HydrophobicContact CZ2-CG2 3.95Å; T924-L926 VanDerWaalsContact C-N 3.28Å; T924-L926 PolarHBondContact O-N 3.35Å; T924-C927 VanDerWaalsContact CB-O 3.29Å; T924-C927 WeakPolarHBondContact CB-O 3.49Å; T924-C927 CarbonylContact O-C 3.34Å; T924-C927 PolarHBondContact O-N 3.28Å; T924-C927 PolarHBondContact OG1-O 3.3Å; T924-N928 WeakPolarHBondContact O-CA 3.44Å; T924-N928 PolarHBondContact O-N 3.49Å; T924-N928 PolarHBondContact O-ND2 3.42Å; T924-N928 VanDerWaalsContact O-ND2 3.1Å
925P98.7Very high98.6Very high10 Ų106 Ų67%0.0653%0.034CC..SBendtrans-69.4-21.6-178.8-21.934.3000114.7M860 D923 M946 S953M860-P925 HydrophobicContact CE-CG 3.69Å; D923-P925 WeakPolarHBondContact O-CD 3.42Å; P925-M946 HydrophobicContact CB-CB 4.24Å; P925-M946 HydrophobicContact CB-CE 3.6Å; P925-M946 HydrophobicContact CG-CB 4.1Å; P925-M946 HydrophobicContact CG-CE 3.92Å; P925-S953 WeakPolarHBondContact O-CB 3.41Å
926L97.8Very high98.6Very high32 Ų326 Ų617%0.1683%0.034CC..SBendtrans-63.5-46.4176.1177.264.3000111.1L512 D854 T924L512-L926 HydrophobicContact CB-CD2 4.45Å; L512-L926 HydrophobicContact CD2-CD2 4.09Å; L512-L926 HydrophobicContact CD2-CG 4.3Å; D854-L926 HydrophobicContact CB-CD2 4.09Å; T924-L926 VanDerWaalsContact C-N 3.28Å; T924-L926 PolarHBondContact O-N 3.35Å
927C98.5Very high98.6Very high1 Ų16 Ų61%0.0073%0.034CC..SBendtrans-153.6120.6177.2175.20000105.8L512 K852 T924L512-C927 HydrophobicContact CD2-CB 3.96Å; K852-C927 HydrophobicContact CB-CB 4.42Å; K852-C927 HydrophobicContact CD-CB 4.05Å; K852-C927 WeakPolarHBondContact CD-O 3.47Å; K852-C927 HydrophobicContact CG-CB 4.09Å; T924-C927 VanDerWaalsContact CB-O 3.29Å; T924-C927 WeakPolarHBondContact CB-O 3.49Å; T924-C927 CarbonylContact O-C 3.34Å; T924-C927 PolarHBondContact O-N 3.28Å; T924-C927 PolarHBondContact OG1-O 3.3Å
928N98.8Very high98.6Very high0 Ų06.1 Ų6.10%03%0.034CC..  trans-72.7166.3-171-58.4154.6000112.5K852 D923 T924 H930 A952 S953 R954 V955 A956K852-N928 PolarHBondContact NZ-O 2.91Å; D923-N928 WeakPolarHBondContact OD1-CA 3.39Å; D923-N928 VanDerWaalsContact OD2-CB 3.27Å; D923-N928 WeakPolarHBondContact OD2-CB 3.45Å; D923-N928 PolarHBondContact OD2-ND2 3.48Å; T924-N928 WeakPolarHBondContact O-CA 3.44Å; T924-N928 PolarHBondContact O-N 3.49Å; T924-N928 PolarHBondContact O-ND2 3.42Å; T924-N928 VanDerWaalsContact O-ND2 3.1Å; N928-H930 PolarHBondContact O-CD2 2.58Å; N928-H930 VanDerWaalsContact O-CD2 3.3Å; N928-H930 PolarHBondContact O-N 3.29Å; N928-H930 VanDerWaalsContact O-N 3.16Å; N928-A952 PolarHBondContact N-O 3.45Å; N928-S953 VanDerWaalsContact CG-C 3.49Å; N928-S953 PolarHBondContact ND2-O 3.48Å; N928-S953 PolarHBondContact OD1-O 2.91Å; N928-R954 PolarHBondContact OD1-N 3.25Å; N928-R954 VanDerWaalsContact OD1-N 3.12Å; N928-V955 PolarHBondContact OD1-N 3.16Å; N928-V955 VanDerWaalsContact OD1-N 3.11Å; N928-A956 HydrophobicContact CB-CB 3.72Å; N928-A956 PolarHBondContact OD1-N 2.94Å
929G98.1Very high98.6Very high1 Ų16.1 Ų6.11%0.013%0.034CC..  trans-63.4104.1155.300000110.9N848 D923 G933N848-G929 VanDerWaalsContact OD1-CA 3.24Å; N848-G929 WeakPolarHBondContact OD1-CA 3.38Å; D923-G929 PolarHBondContact OD1-N 3.39Å; G929-G933 WeakPolarHBondContact O-CA 3.36Å; G929-G933 PolarHBondContact O-N 3.15Å
930H98.5Very high98.6Very high24 Ų246 Ų611%0.1113%0.034CC..SBendtrans-78.7-89173.4-56.6163000108.9P666 F704 N928 T932 G933 M934 A952 V955 Q959P666-H930 VanDerWaalsContact CB-CE1 3.45Å; P666-H930 WeakPolarHBondContact CB-CE1 3.08Å; F704-H930 VanDerWaalsContact CE1-C 3.47Å; F704-H930 HydrophobicContact CE1-CB 4.42Å; F704-H930 WeakPolarHBondContact CE1-O 3.43Å; F704-H930 HydrophobicContact CE2-CB 3.8Å; F704-H930 VanDerWaalsContact CZ-C 3.44Å; F704-H930 HydrophobicContact CZ-CB 3.54Å; N928-H930 PolarHBondContact O-CD2 2.58Å; N928-H930 VanDerWaalsContact O-CD2 3.3Å; N928-H930 PolarHBondContact O-N 3.29Å; N928-H930 VanDerWaalsContact O-N 3.16Å; H930-T932 PolarHBondContact O-N 2.88Å; H930-G933 PolarHBondContact O-N 3.17Å; H930-M934 PolarHBondContact O-N 3.43Å; H930-A952 PolarHBondContact NE2-O 2.74Å; H930-V955 HydrophobicContact CB-CG1 4.47Å; H930-Q959 PolarHBondContact O-NE2 2.93Å
931T98.2Very high98.6Very high23 Ų236 Ų614%0.1413%0.034CC..Hα-helixtrans-54.7-42.2169.2-48.80000111.9P569 L573 G933 M934 D935P569-T931 HydrophobicContact CB-CG2 4.26Å; L573-T931 HydrophobicContact CD2-CG2 4.06Å; T931-G933 VanDerWaalsContact C-N 3.26Å; T931-G933 PolarHBondContact O-N 3.35Å; T931-M934 WeakPolarHBondContact O-CB 3.3Å; T931-M934 PolarHBondContact O-N 2.85Å; T931-M934 VanDerWaalsContact O-N 3.15Å; T931-D935 PolarHBondContact O-N 3.37Å
932T98.1Very high98.6Very high22 Ų225.9 Ų5.914%0.1353%0.033CC..Hα-helixtrans-62.5-33.2178.1-520000112.3F847 H930 D935 V936F847-T932 HydrophobicContact CB-CG2 3.93Å; H930-T932 PolarHBondContact O-N 2.88Å; T932-D935 PolarHBondContact O-N 3.29Å; T932-V936 WeakPolarHBondContact O-CG2 3.22Å; T932-V936 PolarHBondContact O-N 3.24Å; T932-V936 VanDerWaalsContact O-N 3.07Å
933G98.5Very high98.6Very high0 Ų05.9 Ų5.90%03%0.033CC..Hα-helixtrans-63.1-46.8173.600000111.2G929 H930 T931 D935 V936 L937G929-G933 WeakPolarHBondContact O-CA 3.36Å; G929-G933 PolarHBondContact O-N 3.15Å; H930-G933 PolarHBondContact O-N 3.17Å; T931-G933 VanDerWaalsContact C-N 3.26Å; T931-G933 PolarHBondContact O-N 3.35Å; G933-D935 VanDerWaalsContact C-N 3.33Å; G933-D935 PolarHBondContact O-N 2.92Å; G933-V936 VanDerWaalsContact O-CG2 3.24Å; G933-V936 WeakPolarHBondContact O-CG2 3.46Å; G933-V936 PolarHBondContact O-N 2.94Å; G933-L937 WeakPolarHBondContact O-CB 3.45Å; G933-L937 WeakPolarHBondContact O-CG 3.36Å; G933-L937 PolarHBondContact O-N 3.34Å
934M98.8Very high98.6Very high0 Ų05.8 Ų5.80%03%0.033CC..Hα-helixtrans-61-41.5174-60.8-59.8-79.100112.3L573 F704 H708 H930 T931 V936 L937 W938 Q959 L1006 F1007L573-M934 HydrophobicContact CD2-CG 4.47Å; F704-M934 HydrophobicContact CD1-CG 3.44Å; F704-M934 VanDerWaalsContact CD1-CG 3.44Å; F704-M934 HydrophobicContact CD1-SD 3.92Å; F704-M934 HydrophobicContact CE1-CG 3.52Å; H708-M934 VanDerWaalsContact CE1-CB 3.46Å; H708-M934 WeakPolarHBondContact CE1-CB 3.4Å; H930-M934 PolarHBondContact O-N 3.43Å; T931-M934 WeakPolarHBondContact O-CB 3.3Å; T931-M934 PolarHBondContact O-N 2.85Å; T931-M934 VanDerWaalsContact O-N 3.15Å; M934-V936 PolarHBondContact O-N 3.49Å; M934-L937 PolarHBondContact O-N 3.33Å; M934-W938 WeakPolarHBondContact O-CB 3.3Å; M934-W938 PolarHBondContact O-N 2.99Å; M934-Q959 HydrophobicContact SD-CG 3.97Å; M934-L1006 HydrophobicContact CE-CD1 3.81Å; M934-L1006 HydrophobicContact CE-CD2 4.48Å; M934-L1006 HydrophobicContact CE-CG 3.76Å; M934-L1006 WeakPolarHBondContact CE-O 3.34Å; M934-L1006 HydrophobicContact SD-CD1 3.72Å; M934-L1006 HydrophobicContact SD-CD2 4.2Å; M934-L1006 HydrophobicContact SD-CG 3.98Å; M934-F1007 HydrophobicContact CB-CE1 4.08Å; M934-F1007 HydrophobicContact CB-CZ 4.36Å; M934-F1007 HydrophobicContact CE-CD1 3.66Å; M934-F1007 HydrophobicContact CE-CE1 3.34Å; M934-F1007 HydrophobicContact CE-CE2 4.4Å; M934-F1007 HydrophobicContact CE-CG 4.32Å; M934-F1007 HydrophobicContact CE-CZ 3.76Å; M934-F1007 WeakPolarHBondContact O-CZ 3.5Å; M934-F1007 HydrophobicContact SD-CE1 4.26Å; M934-F1007 HydrophobicContact SD-CZ 4.22Å
935D98.8Very high98.6Very high5 Ų55.8 Ų5.83%0.0273%0.033CC..Hα-helixtrans-59.2-47.5178.8-65.5-20.3000111.7H708 K908 H911 V912 T931 T932 G933 A939H708-D935 IonicContact CD2-OD1 2.79Å; H708-D935 IonicContact CE1-OD1 3.64Å; H708-D935 IonicContact NE2-OD1 3.63Å; H708-D935 PolarHBondContact NE2-OD1 3.37Å; K908-D935 IonicContact NZ-OD1 3.57Å; K908-D935 PolarHBondContact NZ-OD1 3.45Å; K908-D935 IonicContact NZ-OD2 3.96Å; K908-D935 PolarHBondContact NZ-OD2 3.2Å; H911-D935 IonicContact CD2-OD2 3.36Å; H911-D935 PolarHBondContact CD2-OD2 2.89Å; H911-D935 IonicContact NE2-OD2 3.67Å; V912-D935 HydrophobicContact CG2-CB 3.94Å; T931-D935 PolarHBondContact O-N 3.37Å; T932-D935 PolarHBondContact O-N 3.29Å; G933-D935 VanDerWaalsContact C-N 3.33Å; G933-D935 PolarHBondContact O-N 2.92Å; D935-A939 PolarHBondContact O-N 3.07Å
936V98.7Very high98.6Very high1 Ų16.4 Ų6.41%0.0064%0.035CC..Hα-helixtrans-73.4-35.9-179.3-60.90000112.7F847 C921 T932 G933 M934 W938 A939 G940 T941 M943F847-V936 HydrophobicContact CD2-CG1 4.02Å; F847-V936 HydrophobicContact CE2-CG1 4.41Å; C921-V936 HydrophobicContact CB-CB 4.31Å; C921-V936 HydrophobicContact CB-CG1 4.43Å; C921-V936 HydrophobicContact CB-CG2 4.03Å; T932-V936 WeakPolarHBondContact O-CG2 3.22Å; T932-V936 PolarHBondContact O-N 3.24Å; T932-V936 VanDerWaalsContact O-N 3.07Å; G933-V936 VanDerWaalsContact O-CG2 3.24Å; G933-V936 WeakPolarHBondContact O-CG2 3.46Å; G933-V936 PolarHBondContact O-N 2.94Å; M934-V936 PolarHBondContact O-N 3.49Å; V936-W938 VanDerWaalsContact C-N 3.34Å; V936-A939 WeakPolarHBondContact O-CB 3.01Å; V936-A939 PolarHBondContact O-N 3.02Å; V936-G940 PolarHBondContact O-N 3.03Å; V936-T941 PolarHBondContact O-N 2.87Å; V936-M943 HydrophobicContact CG2-CB 4.33Å; V936-M943 HydrophobicContact CG2-SD 4.11Å
937L98.8Very high98.6Very high0 Ų06.5 Ų6.50%04%0.038CC..Hα-helixtrans-68.3-34.6176.3-67.6177.8000111.4G933 M934 A939 G940 M943 Q959 L960 L963 V997 L1006 F1007G933-L937 WeakPolarHBondContact O-CB 3.45Å; G933-L937 WeakPolarHBondContact O-CG 3.36Å; G933-L937 PolarHBondContact O-N 3.34Å; M934-L937 PolarHBondContact O-N 3.33Å; L937-A939 VanDerWaalsContact C-N 3.31Å; L937-A939 PolarHBondContact O-N 3.28Å; L937-G940 WeakPolarHBondContact O-CA 3.38Å; L937-G940 PolarHBondContact O-N 3.12Å; L937-M943 HydrophobicContact CD1-CE 4.2Å; L937-M943 HydrophobicContact CD2-CB 4.16Å; L937-M943 HydrophobicContact CG-CE 4.46Å; L937-Q959 HydrophobicContact CD1-CB 4.1Å; L937-L960 HydrophobicContact CD2-CD2 4Å; L937-L963 HydrophobicContact CD1-CD2 4.32Å; L937-L963 HydrophobicContact CD2-CD2 3.83Å; L937-V997 HydrophobicContact CD2-CG1 4.17Å; L937-L1006 HydrophobicContact CD1-CD2 3.82Å; L937-F1007 HydrophobicContact CB-CE2 4.3Å; L937-F1007 HydrophobicContact CB-CZ 4.15Å
938W98.8Very high98.5Very high1 Ų17.7 Ų7.70%0.0045%0.05CC..Hα-helixtrans-65.2-35.1174.3-170.8-110.8000112.7H708 A709 F712 K716 V912 M934 V936 G940 R1001 I1002 F1007H708-W938 HydrophobicContact CB-CB 4Å; H708-W938 HydrophobicContact CB-CD2 3.42Å; H708-W938 VanDerWaalsContact CB-CD2 3.42Å; H708-W938 HydrophobicContact CB-CE3 3.88Å; H708-W938 HydrophobicContact CB-CG 3.46Å; H708-W938 VanDerWaalsContact CB-CG 3.46Å; H708-W938 HydrophobicContact CB-CZ2 4.49Å; H708-W938 AromaticContact CD2-CG 3.99Å; H708-W938 WeakPolarHBondContact O-CZ2 3.22Å; H708-W938 PolarHBondContact O-NE1 2.92Å; A709-W938 VanDerWaalsContact CA-CH2 3.4Å; A709-W938 HydrophobicContact CB-CH2 3.64Å; A709-W938 HydrophobicContact CB-CZ2 4.27Å; A709-W938 HydrophobicContact CB-CZ3 4.18Å; F712-W938 PolarHBondContact O-NE1 3.01Å; K716-W938 HydrophobicContact CG-CH2 4.18Å; K716-W938 HydrophobicContact CG-CZ2 3.88Å; V912-W938 HydrophobicContact CG1-CB 4.41Å; M934-W938 WeakPolarHBondContact O-CB 3.3Å; M934-W938 PolarHBondContact O-N 2.99Å; V936-W938 VanDerWaalsContact C-N 3.34Å; W938-G940 PolarHBondContact O-N 3.27Å; W938-R1001 HydrophobicContact CE3-CB 4.46Å; W938-R1001 WeakPolarHBondContact O-CD 3.46Å; W938-R1001 PolarHBondContact O-NH1 3.09Å; W938-R1001 VanDerWaalsContact O-NH1 3.14Å; W938-I1002 HydrophobicContact CH2-CD1 3.72Å; W938-I1002 HydrophobicContact CZ3-CD1 3.97Å; W938-F1007 HydrophobicContact CB-CE1 4.05Å; W938-F1007 HydrophobicContact CB-CZ 3.93Å; W938-F1007 HydrophobicContact CD2-CD1 4.47Å; W938-F1007 HydrophobicContact CD2-CE1 4.46Å; W938-F1007 HydrophobicContact CE3-CB 4.09Å; W938-F1007 AromaticContact CE3-CD1 3.64Å; W938-F1007 HydrophobicContact CE3-CD1 3.64Å; W938-F1007 AromaticContact CE3-CD2 3.68Å; W938-F1007 HydrophobicContact CE3-CD2 3.68Å; W938-F1007 AromaticContact CE3-CE1 3.87Å; W938-F1007 HydrophobicContact CE3-CE1 3.87Å; W938-F1007 AromaticContact CE3-CE2 3.92Å; W938-F1007 HydrophobicContact CE3-CE2 3.92Å; W938-F1007 AromaticContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CZ 4.02Å; W938-F1007 HydrophobicContact CZ3-CB 3.69Å; W938-F1007 HydrophobicContact CZ3-CD1 4.11Å; W938-F1007 AromaticContact CZ3-CD2 3.96Å; W938-F1007 HydrophobicContact CZ3-CD2 3.96Å; W938-F1007 AromaticContact CZ3-CG 3.66Å; W938-F1007 HydrophobicContact CZ3-CG 3.66Å
939A98.6Very high98.3Very high0 Ų013.6 Ų13.60%08%0.077CC..THydrogen-bonded Turntrans-68.5-7.6171.300000113.4Q916 D935 V936 L937 T941 W998Q916-A939 HydrophobicContact CG-CB 3.87Å; D935-A939 PolarHBondContact O-N 3.07Å; V936-A939 WeakPolarHBondContact O-CB 3.01Å; V936-A939 PolarHBondContact O-N 3.02Å; L937-A939 VanDerWaalsContact C-N 3.31Å; L937-A939 PolarHBondContact O-N 3.28Å; A939-T941 VanDerWaalsContact C-N 3.33Å; A939-W998 WeakPolarHBondContact O-CZ3 3.36Å
940G97.9Very high98.3Very high1 Ų114.2 Ų14.21%0.018%0.081CC..THydrogen-bonded Turntrans72.624.8-175.900000114V936 L937 W938V936-G940 PolarHBondContact O-N 3.03Å; L937-G940 WeakPolarHBondContact O-CA 3.38Å; L937-G940 PolarHBondContact O-N 3.12Å; W938-G940 PolarHBondContact O-N 3.27Å
941T98.8Very high98.3Very high0 Ų013.3 Ų13.30%08%0.077CC..  trans-91.7120.3176.5-67.70000109.3G915 A918 C921 V936 A939 M943G915-T941 PolarHBondContact O-OG1 2.99Å; A918-T941 HydrophobicContact CB-CG2 4.02Å; C921-T941 HydrophobicContact CB-CG2 4.24Å; V936-T941 PolarHBondContact O-N 2.87Å; A939-T941 VanDerWaalsContact C-N 3.33Å; T941-M943 PolarHBondContact O-N 3.12Å
942P98.8Very high98.3Very high0 Ų012.2 Ų12.20%07%0.07CC..  trans-57.3136.2175.6-23.133000111.1D919 V920 C921 L968 I993 R994 V997D919-P942 WeakPolarHBondContact O-CD 3.38Å; V920-P942 CarbonylContact C-O 3.59Å; C921-P942 PolarHBondContact N-O 3.38Å; P942-L968 HydrophobicContact CB-CD1 3.81Å; P942-I993 HydrophobicContact CB-CG2 3.72Å; P942-I993 HydrophobicContact CG-CG2 3.67Å; P942-R994 HydrophobicContact CG-CB 4.41Å; P942-R994 HydrophobicContact CG-CG 3.65Å; P942-V997 HydrophobicContact CB-CG2 4.22Å; P942-V997 HydrophobicContact CG-CG2 4.12Å
943M98.9Very high98.4Very high1 Ų111.5 Ų11.51%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-113.8123.9177.1-179.417460.600109.3C921 D923 V936 L937 T941 A956 L960 L968C921-M943 HydrophobicContact CB-CB 4.1Å; C921-M943 HydrophobicContact CB-CG 4.17Å; C921-M943 CarbonylContact O-C 3.58Å; C921-M943 WeakPolarHBondContact O-CA 3.46Å; D923-M943 HydrophobicContact CB-CG 3.91Å; D923-M943 HydrophobicContact CB-SD 4.06Å; V936-M943 HydrophobicContact CG2-CB 4.33Å; V936-M943 HydrophobicContact CG2-SD 4.11Å; L937-M943 HydrophobicContact CD1-CE 4.2Å; L937-M943 HydrophobicContact CD2-CB 4.16Å; L937-M943 HydrophobicContact CG-CE 4.46Å; T941-M943 PolarHBondContact O-N 3.12Å; M943-A956 HydrophobicContact CE-CB 3.52Å; M943-A956 HydrophobicContact SD-CB 4.25Å; M943-L960 HydrophobicContact CE-CD1 4.37Å; M943-L960 HydrophobicContact CE-CG 4.31Å; M943-L960 VanDerWaalsContact O-CD1 3.23Å; M943-L960 WeakPolarHBondContact O-CD1 3.46Å; M943-L968 VanDerWaalsContact O-CB 3.29Å; M943-L968 WeakPolarHBondContact O-CB 3.5Å
944V99Very high98.4Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-91.3129.2171.8-174.90000108V920 C921 L922 D923 L968 Y976 I979 L983V920-V944 HydrophobicContact CG1-CG2 3.8Å; C921-V944 PolarHBondContact O-N 3.26Å; L922-V944 HydrophobicContact CD2-CB 4.36Å; L922-V944 HydrophobicContact CD2-CG2 4.49Å; D923-V944 WeakPolarHBondContact CB-O 3.48Å; D923-V944 PolarHBondContact N-O 2.69Å; V944-L968 WeakPolarHBondContact CA-O 3.39Å; V944-L968 HydrophobicContact CG2-CD2 4.45Å; V944-Y976 HydrophobicContact CB-CE2 4.25Å; V944-Y976 HydrophobicContact CG1-CD2 3.74Å; V944-Y976 HydrophobicContact CG1-CE2 3.79Å; V944-Y976 HydrophobicContact CG1-CG 4.24Å; V944-Y976 WeakPolarHBondContact O-CE2 3.44Å; V944-I979 HydrophobicContact CG1-CB 4.18Å; V944-I979 HydrophobicContact CG1-CG2 3.92Å; V944-I979 HydrophobicContact CG2-CG2 3.8Å; V944-L983 HydrophobicContact CG2-CD1 3.64Å
945T98.9Very high98.4Very high0 Ų013.4 Ų13.40%07%0.073CC..BIsolated β-bridgetrans-133.7163.5178.1-167.40000111.5D923 A956 A957 L960 L968 I969 A970D923-T945 WeakPolarHBondContact OD2-CB 3.22Å; D923-T945 PolarHBondContact OD2-OG1 3.15Å; T945-A956 HydrophobicContact CG2-CB 4.04Å; T945-A957 HydrophobicContact CG2-CB 4.05Å; T945-L960 HydrophobicContact CG2-CD1 3.58Å; T945-L968 PolarHBondContact N-O 3.43Å; T945-L968 VanDerWaalsContact N-O 3.07Å; T945-I969 HydrophobicContact CG2-CG1 4.45Å; T945-A970 WeakPolarHBondContact O-CB 3.32Å; T945-A970 PolarHBondContact O-N 2.85Å
946M98.8Very high98.4Very high23 Ų2313.1 Ų13.111%0.1137%0.072CC..  trans-132.898.8173.8-177.5-176.273.800107.7P925 G948 A970 R973 Y976P925-M946 HydrophobicContact CB-CB 4.24Å; P925-M946 HydrophobicContact CB-CE 3.6Å; P925-M946 HydrophobicContact CG-CB 4.1Å; P925-M946 HydrophobicContact CG-CE 3.92Å; M946-G948 PolarHBondContact O-N 3.11Å; M946-A970 WeakPolarHBondContact CA-O 3.41Å; M946-A970 HydrophobicContact CB-CB 4.31Å; M946-R973 HydrophobicContact CE-CG 4.09Å; M946-R973 HydrophobicContact SD-CB 4.48Å; M946-R973 HydrophobicContact SD-CG 3.94Å; M946-R973 PolarHBondContact SD-N 3.46Å; M946-Y976 HydrophobicContact CB-CD2 3.87Å
947P98.6Very high98.4Very high34 Ų3413.2 Ų13.222%0.2217%0.073CC..  trans-60.2126.3-17822.3-32.6000110.9S953 R954 A957 I969 A970P947-S953 VanDerWaalsContact CA-O 3.3Å; P947-S953 WeakPolarHBondContact CA-O 3.29Å; P947-R954 HydrophobicContact CB-CG 4.08Å; P947-A957 HydrophobicContact CB-CB 3.81Å; P947-A957 HydrophobicContact CG-CB 3.95Å; P947-I969 HydrophobicContact CG-CG2 3.81Å; P947-A970 WeakPolarHBondContact CD-O 3.36Å
948G96.2Very high98.4Very high25 Ų2513.2 Ų13.226%0.2587%0.073SC..  trans-85.8-152.316900000111.8M946 S953 R954M946-G948 PolarHBondContact O-N 3.11Å; G948-S953 WeakPolarHBondContact CA-OG 3.48Å; G948-S953 PolarHBondContact N-O 3.06Å; G948-S953 VanDerWaalsContact N-O 3.07Å; G948-R954 VanDerWaalsContact O-CD 3.25Å; G948-R954 WeakPolarHBondContact O-CD 3.48Å; G948-R954 WeakPolarHBondContact O-CG 3.47Å; G948-R954 PolarHBondContact O-NH1 3.33Å
949E95.5Very high98.4Very high125 Ų12513.2 Ų13.258%0.5847%0.072SC*.SBendtrans-98.6-31179.2-62-179.8-110.500113.6H517H517-E949 IonicContact CD2-OE2 3.9Å; H517-E949 VanDerWaalsContact CE1-CB 3.44Å; H517-E949 WeakPolarHBondContact CE1-CB 3.22Å; H517-E949 IonicContact CE1-OE2 2.65Å; H517-E949 IonicContact NE2-OE2 3.15Å; H517-E949 PolarHBondContact NE2-OE2 3.45Å
950T97.7Very high98.4Very high13 Ų1313.2 Ų13.28%0.087%0.072CC..SBendtrans-74.7150.8-178.9710000111.1A952 S953 R954T950-A952 PolarHBondContact O-N 2.88Å; T950-S953 PolarHBondContact N-OG 3.39Å; T950-S953 PolarHBondContact O-N 2.94Å; T950-S953 PolarHBondContact O-OG 2.78Å; T950-S953 VanDerWaalsContact O-OG 3.06Å; T950-S953 PolarHBondContact OG1-N 2.89Å; T950-S953 PolarHBondContact OG1-OG 3.18Å; T950-R954 WeakPolarHBondContact O-CG 3.5Å; T950-R954 PolarHBondContact O-N 3.47Å
951L98.5Very high98.4Very high6 Ų614.9 Ų14.93%0.0318%0.083CC..G310 helixtrans-45.5-51.6170.3-171.4162.2000111.3P666 I677 T683 Y692 F703 S953 R954 V955P666-L951 HydrophobicContact CB-CD2 3.83Å; I677-L951 HydrophobicContact CD1-CD1 3.92Å; T683-L951 HydrophobicContact CG2-CD1 4.42Å; T683-L951 HydrophobicContact CG2-CD2 3.95Å; T683-L951 HydrophobicContact CG2-CG 3.6Å; Y692-L951 HydrophobicContact CE1-CB 4.35Å; Y692-L951 HydrophobicContact CE1-CD1 3.94Å; F703-L951 HydrophobicContact CZ-CD2 4.17Å; L951-S953 PolarHBondContact O-N 3.39Å; L951-S953 VanDerWaalsContact O-N 3.14Å; L951-R954 PolarHBondContact O-N 2.7Å; L951-V955 HydrophobicContact CD2-CG2 3.92Å; L951-V955 WeakPolarHBondContact O-CG2 3.07Å; L951-V955 PolarHBondContact O-N 3.24Å
952A98.2Very high98.4Very high0 Ų015.5 Ų15.50%09%0.087CC..G310 helixtrans-61.9-23.9-176.200000114.8M511 P666 N928 H930 T950M511-A952 HydrophobicContact CB-CB 4.15Å; M511-A952 HydrophobicContact CG-CB 4.33Å; M511-A952 HydrophobicContact SD-CB 3.34Å; M511-A952 WeakPolarHBondContact SD-CB 3.48Å; P666-A952 HydrophobicContact CB-CB 4.09Å; P666-A952 HydrophobicContact CG-CB 4.45Å; N928-A952 PolarHBondContact N-O 3.45Å; H930-A952 PolarHBondContact NE2-O 2.74Å; T950-A952 PolarHBondContact O-N 2.88Å
953S98.6Very high98.4Very high6 Ų615.5 Ų15.54%0.0429%0.087CC..G310 helixtrans-97.95.9177.958.20000114P925 N928 P947 G948 T950 L951P925-S953 WeakPolarHBondContact O-CB 3.41Å; N928-S953 VanDerWaalsContact CG-C 3.49Å; N928-S953 PolarHBondContact ND2-O 3.48Å; N928-S953 PolarHBondContact OD1-O 2.91Å; P947-S953 VanDerWaalsContact CA-O 3.3Å; P947-S953 WeakPolarHBondContact CA-O 3.29Å; G948-S953 WeakPolarHBondContact CA-OG 3.48Å; G948-S953 PolarHBondContact N-O 3.06Å; G948-S953 VanDerWaalsContact N-O 3.07Å; T950-S953 PolarHBondContact N-OG 3.39Å; T950-S953 PolarHBondContact O-N 2.94Å; T950-S953 PolarHBondContact O-OG 2.78Å; T950-S953 VanDerWaalsContact O-OG 3.06Å; T950-S953 PolarHBondContact OG1-N 2.89Å; T950-S953 PolarHBondContact OG1-OG 3.18Å; L951-S953 PolarHBondContact O-N 3.39Å; L951-S953 VanDerWaalsContact O-N 3.14Å
954R98.8Very high98.4Very high40 Ų4016.9 Ų16.915%0.15110%0.101CC..THydrogen-bonded Turntrans-117.4-13.6179.6-63.4-179.866.882.72.6114.4E682 T683 N928 P947 G948 T950 L951 A956 A957 S958E682-R954 VanDerWaalsContact O-CZ 3.22Å; E682-R954 PolarHBondContact O-NE 3.27Å; E682-R954 PolarHBondContact O-NH2 2.92Å; T683-R954 WeakPolarHBondContact O-CD 3.43Å; T683-R954 PolarHBondContact O-NE 3.29Å; N928-R954 PolarHBondContact OD1-N 3.25Å; N928-R954 VanDerWaalsContact OD1-N 3.12Å; P947-R954 HydrophobicContact CB-CG 4.08Å; G948-R954 VanDerWaalsContact O-CD 3.25Å; G948-R954 WeakPolarHBondContact O-CD 3.48Å; G948-R954 WeakPolarHBondContact O-CG 3.47Å; G948-R954 PolarHBondContact O-NH1 3.33Å; T950-R954 WeakPolarHBondContact O-CG 3.5Å; T950-R954 PolarHBondContact O-N 3.47Å; L951-R954 PolarHBondContact O-N 2.7Å; R954-A956 VanDerWaalsContact C-N 3.31Å; R954-A956 PolarHBondContact O-N 2.85Å; R954-A957 WeakPolarHBondContact O-CB 3.35Å; R954-A957 PolarHBondContact O-N 3.35Å; R954-A957 VanDerWaalsContact O-N 3.1Å; R954-S958 PolarHBondContact O-N 2.89Å; R954-S958 VanDerWaalsContact O-N 3.11Å
955V98.9Very high98.3Very high0 Ų016.9 Ų16.90%010%0.101CC..Hα-helixtrans-54.4-43.6-177.6-177.40000112.5F703 F704 N928 H930 L951 A957 S958 Q959F703-V955 HydrophobicContact CE1-CG1 4.34Å; F703-V955 HydrophobicContact CE1-CG2 4.14Å; F703-V955 HydrophobicContact CZ-CG2 4.35Å; F704-V955 HydrophobicContact CB-CG1 4.4Å; F704-V955 HydrophobicContact CD2-CG1 3.58Å; F704-V955 HydrophobicContact CE2-CG1 4Å; F704-V955 HydrophobicContact CG-CG1 3.94Å; N928-V955 PolarHBondContact OD1-N 3.16Å; N928-V955 VanDerWaalsContact OD1-N 3.11Å; H930-V955 HydrophobicContact CB-CG1 4.47Å; L951-V955 HydrophobicContact CD2-CG2 3.92Å; L951-V955 WeakPolarHBondContact O-CG2 3.07Å; L951-V955 PolarHBondContact O-N 3.24Å; V955-A957 VanDerWaalsContact C-N 3.32Å; V955-A957 PolarHBondContact O-N 3.09Å; V955-S958 WeakPolarHBondContact O-CB 3.37Å; V955-S958 PolarHBondContact O-N 3.18Å; V955-Q959 HydrophobicContact CG1-CG 4.38Å; V955-Q959 VanDerWaalsContact O-CG 3.31Å; V955-Q959 WeakPolarHBondContact O-CG 3.5Å; V955-Q959 PolarHBondContact O-N 3.37Å
956A98.9Very high98.3Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-65.9-35.6-179.100000112.4D923 N928 M943 T945 R954 Q959 L960D923-A956 WeakPolarHBondContact OD2-CB 3.24Å; N928-A956 HydrophobicContact CB-CB 3.72Å; N928-A956 PolarHBondContact OD1-N 2.94Å; M943-A956 HydrophobicContact CE-CB 3.52Å; M943-A956 HydrophobicContact SD-CB 4.25Å; T945-A956 HydrophobicContact CG2-CB 4.04Å; R954-A956 VanDerWaalsContact C-N 3.31Å; R954-A956 PolarHBondContact O-N 2.85Å; A956-Q959 PolarHBondContact O-N 3.17Å; A956-L960 WeakPolarHBondContact O-CB 3.47Å; A956-L960 WeakPolarHBondContact O-CD1 3.41Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.24Å; A956-L960 PolarHBondContact O-N 3.37Å
957A98.9Very high98.3Very high3 Ų323.6 Ų23.63%0.02514%0.135CC..Hα-helixtrans-66.1-43.1175.100000110.6T945 P947 R954 V955 Q959 L960 T961 I969T945-A957 HydrophobicContact CG2-CB 4.05Å; P947-A957 HydrophobicContact CB-CB 3.81Å; P947-A957 HydrophobicContact CG-CB 3.95Å; R954-A957 WeakPolarHBondContact O-CB 3.35Å; R954-A957 PolarHBondContact O-N 3.35Å; R954-A957 VanDerWaalsContact O-N 3.1Å; V955-A957 VanDerWaalsContact C-N 3.32Å; V955-A957 PolarHBondContact O-N 3.09Å; A957-Q959 PolarHBondContact O-N 3.42Å; A957-L960 PolarHBondContact O-N 2.98Å; A957-T961 PolarHBondContact O-N 3.31Å; A957-T961 PolarHBondContact O-OG1 3.4Å; A957-T961 VanDerWaalsContact O-OG1 3.13Å; A957-I969 HydrophobicContact CB-CD1 4.21Å; A957-I969 HydrophobicContact CB-CG1 4.49Å; A957-I969 HydrophobicContact CB-CG2 3.94Å; A957-I969 WeakPolarHBondContact O-CD1 3.32Å
958S98.9Very high98.3Very high0 Ų022 Ų220%013%0.125CC..Hα-helixtrans-60.2-44.5174.6-179.30000112.5D680 T683 T702 R954 V955 L960 T961 C962D680-S958 PolarHBondContact OD1-OG 2.95Å; D680-S958 PolarHBondContact OD2-OG 3.03Å; T683-S958 WeakPolarHBondContact OG1-CB 3.38Å; T683-S958 PolarHBondContact OG1-OG 3.14Å; T702-S958 WeakPolarHBondContact CB-OG 3.34Å; T702-S958 PolarHBondContact OG1-OG 3.17Å; R954-S958 PolarHBondContact O-N 2.89Å; R954-S958 VanDerWaalsContact O-N 3.11Å; V955-S958 WeakPolarHBondContact O-CB 3.37Å; V955-S958 PolarHBondContact O-N 3.18Å; S958-L960 VanDerWaalsContact C-N 3.35Å; S958-L960 PolarHBondContact O-N 3.43Å; S958-T961 PolarHBondContact O-N 3Å; S958-C962 WeakPolarHBondContact O-CB 3.41Å; S958-C962 PolarHBondContact O-N 3.19Å
959Q98.9Very high98.4Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-57.7-46.1173.7-69.5169.8-1.100111.7F704 H930 M934 L937 V955 A956 A957 C962 L963 L1006F704-Q959 HydrophobicContact CB-CG 4.25Å; H930-Q959 PolarHBondContact O-NE2 2.93Å; M934-Q959 HydrophobicContact SD-CG 3.97Å; L937-Q959 HydrophobicContact CD1-CB 4.1Å; V955-Q959 HydrophobicContact CG1-CG 4.38Å; V955-Q959 VanDerWaalsContact O-CG 3.31Å; V955-Q959 WeakPolarHBondContact O-CG 3.5Å; V955-Q959 PolarHBondContact O-N 3.37Å; A956-Q959 PolarHBondContact O-N 3.17Å; A957-Q959 PolarHBondContact O-N 3.42Å; Q959-C962 PolarHBondContact O-N 2.99Å; Q959-L963 WeakPolarHBondContact O-CB 3.45Å; Q959-L963 PolarHBondContact O-N 3.46Å; Q959-L1006 HydrophobicContact CB-CD1 4.22Å; Q959-L1006 HydrophobicContact CG-CD1 4.3Å
960L98.9Very high98.6Very high0 Ų016.2 Ų16.20%09%0.092CC..Hα-helixtrans-69.1-35.1179.9-72.1167000112.9L937 M943 T945 A956 A957 S958 L963 G964 C965 L968 I969L937-L960 HydrophobicContact CD2-CD2 4Å; M943-L960 HydrophobicContact CE-CD1 4.37Å; M943-L960 HydrophobicContact CE-CG 4.31Å; M943-L960 VanDerWaalsContact O-CD1 3.23Å; M943-L960 WeakPolarHBondContact O-CD1 3.46Å; T945-L960 HydrophobicContact CG2-CD1 3.58Å; A956-L960 WeakPolarHBondContact O-CB 3.47Å; A956-L960 WeakPolarHBondContact O-CD1 3.41Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.24Å; A956-L960 PolarHBondContact O-N 3.37Å; A957-L960 PolarHBondContact O-N 2.98Å; S958-L960 VanDerWaalsContact C-N 3.35Å; S958-L960 PolarHBondContact O-N 3.43Å; L960-L963 CarbonylContact O-C 3.4Å; L960-L963 PolarHBondContact O-N 2.95Å; L960-G964 PolarHBondContact O-N 3.49Å; L960-C965 HydrophobicContact CD2-CB 4.09Å; L960-C965 PolarHBondContact O-N 3.45Å; L960-L968 HydrophobicContact CD1-CB 4.09Å; L960-L968 HydrophobicContact CD2-CB 4.37Å; L960-L968 HydrophobicContact CD2-CD1 4.02Å; L960-I969 HydrophobicContact CB-CD1 4.02Å; L960-I969 HydrophobicContact CB-CG1 4.03Å; L960-I969 HydrophobicContact CD1-CG1 4.1Å
961T98.7Very high98.6Very high37 Ų3723.3 Ų23.323%0.22712%0.122CC..Hα-helixtrans-64.2-46.9172.9-65.10000110.6E682 A957 S958 L963 G964 L966 I969E682-T961 HydrophobicContact CG-CG2 3.83Å; A957-T961 PolarHBondContact O-N 3.31Å; A957-T961 PolarHBondContact O-OG1 3.4Å; A957-T961 VanDerWaalsContact O-OG1 3.13Å; S958-T961 PolarHBondContact O-N 3Å; T961-L963 VanDerWaalsContact C-N 3.26Å; T961-L963 PolarHBondContact O-N 3.23Å; T961-G964 WeakPolarHBondContact O-CA 3.35Å; T961-G964 PolarHBondContact O-N 3.24Å; T961-L966 HydrophobicContact CG2-CD2 4Å; T961-L966 WeakPolarHBondContact OG1-CD2 3.39Å; T961-I969 WeakPolarHBondContact OG1-CD1 3.31Å
962C98.6Very high98.6Very high12 Ų1226.8 Ų26.88%0.08114%0.14CC..Hα-helixtrans-61.3-34.1173.7-179.60000112.6H701 T702 S958 Q959 G964 S1004 L1006H701-C962 HydrophobicContact CB-CB 4.38Å; T702-C962 HydrophobicContact CG2-CB 3.61Å; S958-C962 WeakPolarHBondContact O-CB 3.41Å; S958-C962 PolarHBondContact O-N 3.19Å; Q959-C962 PolarHBondContact O-N 2.99Å; C962-G964 VanDerWaalsContact C-N 3.26Å; C962-G964 PolarHBondContact O-N 3.36Å; C962-S1004 WeakPolarHBondContact O-CB 3.41Å; C962-S1004 PolarHBondContact O-OG 3.39Å; C962-L1006 HydrophobicContact CB-CD1 4.24Å; C962-L1006 PolarHBondContact SG-N 3.02Å
963L98.4Very high98.6Very high1 Ų132.6 Ų32.61%0.00516%0.162CC..Hα-helixtrans-72.1-18.6173.3-164.265.7000113.3L937 Q959 L960 T961 C965 V997 Q1000 R1001 L1006L937-L963 HydrophobicContact CD1-CD2 4.32Å; L937-L963 HydrophobicContact CD2-CD2 3.83Å; Q959-L963 WeakPolarHBondContact O-CB 3.45Å; Q959-L963 PolarHBondContact O-N 3.46Å; L960-L963 CarbonylContact O-C 3.4Å; L960-L963 PolarHBondContact O-N 2.95Å; T961-L963 VanDerWaalsContact C-N 3.26Å; T961-L963 PolarHBondContact O-N 3.23Å; L963-C965 HydrophobicContact CD2-CB 4.49Å; L963-V997 HydrophobicContact CD2-CB 4.44Å; L963-V997 HydrophobicContact CD2-CG1 4.01Å; L963-V997 HydrophobicContact CD2-CG2 4.25Å; L963-Q1000 VanDerWaalsContact CD1-C 3.46Å; L963-Q1000 HydrophobicContact CD1-CB 3.66Å; L963-Q1000 HydrophobicContact CG-CB 3.92Å; L963-Q1000 VanDerWaalsContact O-CB 3.28Å; L963-Q1000 WeakPolarHBondContact O-CB 3.15Å; L963-Q1000 WeakPolarHBondContact O-CG 3.29Å; L963-R1001 HydrophobicContact CD1-CB 4.32Å; L963-L1006 HydrophobicContact CB-CD2 4.15Å; L963-L1006 HydrophobicContact CD1-CD2 4.02Å
964G97.7Very high98.6Very high30 Ų3037.1 Ų37.131%0.30918%0.183SC..THydrogen-bonded Turntrans79.526.7-174.800000114.1L960 T961 C962 K996L960-G964 PolarHBondContact O-N 3.49Å; T961-G964 WeakPolarHBondContact O-CA 3.35Å; T961-G964 PolarHBondContact O-N 3.24Å; C962-G964 VanDerWaalsContact C-N 3.26Å; C962-G964 PolarHBondContact O-N 3.36Å; G964-K996 WeakPolarHBondContact O-CE 3.45Å; G964-K996 PolarHBondContact O-NZ 3.12Å
965C98.1Very high98.6Very high0 Ų037.9 Ų37.90%019%0.188CC..  trans-110.752.4-177.3-74.40000112.7L960 L963 E967 L968L960-C965 HydrophobicContact CD2-CB 4.09Å; L960-C965 PolarHBondContact O-N 3.45Å; L963-C965 HydrophobicContact CD2-CB 4.49Å; C965-E967 VanDerWaalsContact C-OE2 3.25Å; C965-E967 WeakPolarHBondContact CA-OE2 3.47Å; C965-E967 PolarHBondContact O-N 3.39Å; C965-E967 VanDerWaalsContact O-N 3.17Å; C965-L968 HydrophobicContact CB-CD1 4Å; C965-L968 HydrophobicContact CB-CG 4.38Å; C965-L968 WeakPolarHBondContact O-CB 3.43Å; C965-L968 PolarHBondContact O-N 3.49Å; C965-L968 VanDerWaalsContact O-N 3.11Å
966L98.4Very high98.6Very high108 Ų10837.9 Ų37.957%0.56519%0.188SC*.G310 helixtrans-58.7-27.7-177.7-57.9178.5000113.8T961 L968 I969T961-L966 HydrophobicContact CG2-CD2 4Å; T961-L966 WeakPolarHBondContact OG1-CD2 3.39Å; L966-L968 PolarHBondContact O-N 3.39Å; L966-L968 VanDerWaalsContact O-N 3.09Å; L966-I969 HydrophobicContact CD2-CD1 4.11Å; L966-I969 PolarHBondContact O-N 3.14Å; L966-I969 VanDerWaalsContact O-N 3.14Å
967E98.2Very high98.6Very high56 Ų5638.7 Ų38.726%0.26219%0.191SC..G310 helixtrans-66.6-5.5177.864.8-93.3-13700114.4C965 I993 K996C965-E967 VanDerWaalsContact C-OE2 3.25Å; C965-E967 WeakPolarHBondContact CA-OE2 3.47Å; C965-E967 PolarHBondContact O-N 3.39Å; C965-E967 VanDerWaalsContact O-N 3.17Å; E967-I993 HydrophobicContact CG-CD1 3.76Å; E967-I993 VanDerWaalsContact OE1-CD1 3.27Å; E967-I993 WeakPolarHBondContact OE1-CD1 3.35Å; E967-K996 VanDerWaalsContact OE1-CD 3.25Å; E967-K996 WeakPolarHBondContact OE1-CD 3.43Å; E967-K996 IonicContact OE1-NZ 3.65Å; E967-K996 PolarHBondContact OE1-NZ 3.23Å; E967-K996 IonicContact OE2-NZ 3.64Å; E967-K996 PolarHBondContact OE2-NZ 3.22Å
968L98.9Very high98.6Very high0 Ų041.5 Ų41.50%021%0.206CC..G310 helixtrans-102.42.4176.8-58.6-179.5000113.4P942 M943 V944 T945 L960 C965 L966 I979 L983 I993 V997P942-L968 HydrophobicContact CB-CD1 3.81Å; M943-L968 VanDerWaalsContact O-CB 3.29Å; M943-L968 WeakPolarHBondContact O-CB 3.5Å; V944-L968 WeakPolarHBondContact CA-O 3.39Å; V944-L968 HydrophobicContact CG2-CD2 4.45Å; T945-L968 PolarHBondContact N-O 3.43Å; T945-L968 VanDerWaalsContact N-O 3.07Å; L960-L968 HydrophobicContact CD1-CB 4.09Å; L960-L968 HydrophobicContact CD2-CB 4.37Å; L960-L968 HydrophobicContact CD2-CD1 4.02Å; C965-L968 HydrophobicContact CB-CD1 4Å; C965-L968 HydrophobicContact CB-CG 4.38Å; C965-L968 WeakPolarHBondContact O-CB 3.43Å; C965-L968 PolarHBondContact O-N 3.49Å; C965-L968 VanDerWaalsContact O-N 3.11Å; L966-L968 PolarHBondContact O-N 3.39Å; L966-L968 VanDerWaalsContact O-N 3.09Å; L968-I979 HydrophobicContact CD2-CG2 4.19Å; L968-L983 HydrophobicContact CD2-CD1 3.8Å; L968-I993 HydrophobicContact CD1-CG2 4.06Å; L968-I993 HydrophobicContact CD2-CG2 3.98Å; L968-I993 HydrophobicContact CG-CG2 4.39Å; L968-V997 HydrophobicContact CD1-CG2 4.46Å
969I98.9Very high98.6Very high29 Ų2942.5 Ų42.515%0.14921%0.211CC..BIsolated β-bridgetrans-104.4105.9-177.5-52.1177000108.8T945 P947 A957 L960 T961 L966T945-I969 HydrophobicContact CG2-CG1 4.45Å; P947-I969 HydrophobicContact CG-CG2 3.81Å; A957-I969 HydrophobicContact CB-CD1 4.21Å; A957-I969 HydrophobicContact CB-CG1 4.49Å; A957-I969 HydrophobicContact CB-CG2 3.94Å; A957-I969 WeakPolarHBondContact O-CD1 3.32Å; L960-I969 HydrophobicContact CB-CD1 4.02Å; L960-I969 HydrophobicContact CB-CG1 4.03Å; L960-I969 HydrophobicContact CD1-CG1 4.1Å; T961-I969 WeakPolarHBondContact OG1-CD1 3.31Å; L966-I969 HydrophobicContact CD2-CD1 4.11Å; L966-I969 PolarHBondContact O-N 3.14Å; L966-I969 VanDerWaalsContact O-N 3.14Å
970A98.8Very high98.6Very high0 Ų042.5 Ų42.50%021%0.211CC..  trans-84.3140.9178.900000112.1T945 M946 P947 E975 Y976 I979T945-A970 WeakPolarHBondContact O-CB 3.32Å; T945-A970 PolarHBondContact O-N 2.85Å; M946-A970 WeakPolarHBondContact CA-O 3.41Å; M946-A970 HydrophobicContact CB-CB 4.31Å; P947-A970 WeakPolarHBondContact CD-O 3.36Å; A970-E975 HydrophobicContact CB-CB 4.13Å; A970-E975 HydrophobicContact CB-CG 4.23Å; A970-Y976 HydrophobicContact CB-CD2 4.33Å; A970-Y976 HydrophobicContact CB-CG 4.48Å; A970-Y976 VanDerWaalsContact CB-N 3.27Å; A970-I979 HydrophobicContact CB-CD1 4.08Å
971K98.5Very high98.6Very high162 Ų16243.2 Ų43.270%0.70422%0.216SC*.SBendtrans-86.9-18.5177.4-57.3172.6-157.572.30112.9E975K971-E975 WeakPolarHBondContact CB-OE2 3.42Å; K971-E975 VanDerWaalsContact CG-OE2 3.28Å; K971-E975 WeakPolarHBondContact CG-OE2 3.13Å; K971-E975 PolarHBondContact N-OE2 2.97Å; K971-E975 IonicContact NZ-OE1 3.83Å; K971-E975 PolarHBondContact NZ-OE1 3.18Å; K971-E975 IonicContact NZ-OE2 2.83Å; K971-E975 PolarHBondContact NZ-OE2 3.46Å
972N98.6Very high98.6Very high79 Ų7946.1 Ų46.142%0.42223%0.225SC..SBendtrans-155.9172.7-179.460.963.2000110.7Q974 E975 Y976N972-Q974 VanDerWaalsContact C-N 3.3Å; N972-Q974 PolarHBondContact O-N 2.98Å; N972-Q974 WeakPolarHBondContact OD1-CB 3.25Å; N972-Q974 PolarHBondContact OD1-N 3.48Å; N972-Q974 VanDerWaalsContact OD1-N 3.1Å; N972-E975 PolarHBondContact O-N 3.43Å; N972-E975 PolarHBondContact OD1-N 3.22Å; N972-Y976 PolarHBondContact O-N 3.49Å
973R98.7Very high98.6Very high121 Ų12145.5 Ų45.546%0.45722%0.221SC..Hα-helixtrans-60.2-38.1-175.7-58.9-171-152.5-841.8112.8M860 M946 Y976 E977M860-R973 HydrophobicContact CG-CB 4.24Å; M860-R973 HydrophobicContact CG-CG 4.48Å; M860-R973 HydrophobicContact SD-CB 3.53Å; M860-R973 VanDerWaalsContact SD-CB 3.53Å; M860-R973 HydrophobicContact SD-CG 3.58Å; M860-R973 VanDerWaalsContact SD-CG 3.58Å; M946-R973 HydrophobicContact CE-CG 4.09Å; M946-R973 HydrophobicContact SD-CB 4.48Å; M946-R973 HydrophobicContact SD-CG 3.94Å; M946-R973 PolarHBondContact SD-N 3.46Å; R973-Y976 WeakPolarHBondContact O-CB 3.39Å; R973-Y976 PolarHBondContact O-N 3.08Å; R973-E977 WeakPolarHBondContact O-CG 3.47Å; R973-E977 PolarHBondContact O-N 2.75Å
974Q98.7Very high98.6Very high102 Ų10245.8 Ų45.848%0.47722%0.224SC..Hα-helixtrans-66.4-47179.8-174.960.255.800111N972 Y976 E977 D978N972-Q974 VanDerWaalsContact C-N 3.3Å; N972-Q974 PolarHBondContact O-N 2.98Å; N972-Q974 WeakPolarHBondContact OD1-CB 3.25Å; N972-Q974 PolarHBondContact OD1-N 3.48Å; N972-Q974 VanDerWaalsContact OD1-N 3.1Å; Q974-Y976 VanDerWaalsContact C-N 3.27Å; Q974-Y976 PolarHBondContact O-N 3.35Å; Q974-E977 PolarHBondContact O-N 2.99Å; Q974-D978 PolarHBondContact NE2-OD1 2.97Å; Q974-D978 PolarHBondContact NE2-OD2 2.86Å; Q974-D978 WeakPolarHBondContact O-CB 3.44Å; Q974-D978 PolarHBondContact O-N 3.26Å
975E98.8Very high98.7Very high56 Ų5648.2 Ų48.226%0.26223%0.233SC..Hα-helixtrans-62.6-36.2176.3-169.6175-159.900111.4A970 K971 N972 D978 I979A970-E975 HydrophobicContact CB-CB 4.13Å; A970-E975 HydrophobicContact CB-CG 4.23Å; K971-E975 WeakPolarHBondContact CB-OE2 3.42Å; K971-E975 VanDerWaalsContact CG-OE2 3.28Å; K971-E975 WeakPolarHBondContact CG-OE2 3.13Å; K971-E975 PolarHBondContact N-OE2 2.97Å; K971-E975 IonicContact NZ-OE1 3.83Å; K971-E975 PolarHBondContact NZ-OE1 3.18Å; K971-E975 IonicContact NZ-OE2 2.83Å; K971-E975 PolarHBondContact NZ-OE2 3.46Å; N972-E975 PolarHBondContact O-N 3.43Å; N972-E975 PolarHBondContact OD1-N 3.22Å; E975-D978 PolarHBondContact O-N 2.85Å; E975-I979 HydrophobicContact CG-CD1 3.94Å; E975-I979 HydrophobicContact CG-CG1 4.37Å; E975-I979 WeakPolarHBondContact O-CB 3.45Å; E975-I979 VanDerWaalsContact O-CG1 3.23Å; E975-I979 WeakPolarHBondContact O-CG1 3.43Å; E975-I979 PolarHBondContact O-N 3.48Å
976Y98.9Very high98.6Very high0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-60-49.4174.7-179-81.7000111.3M860 W861 I864 L922 D923 V944 M946 A970 N972 R973 Q974 A980M860-Y976 HydrophobicContact CE-CD1 4.05Å; M860-Y976 HydrophobicContact CE-CE1 4.2Å; M860-Y976 HydrophobicContact CE-CG 4.42Å; M860-Y976 HydrophobicContact SD-CD1 4.08Å; M860-Y976 HydrophobicContact SD-CG 4.4Å; W861-Y976 PolarHBondContact NE1-OH 2.75Å; I864-Y976 HydrophobicContact CD1-CD1 4.06Å; I864-Y976 HydrophobicContact CD1-CE1 3.78Å; L922-Y976 VanDerWaalsContact C-OH 3.22Å; L922-Y976 WeakPolarHBondContact CA-OH 3.49Å; L922-Y976 VanDerWaalsContact CB-OH 3.23Å; L922-Y976 WeakPolarHBondContact CB-OH 3.5Å; L922-Y976 HydrophobicContact CD2-CE1 4.37Å; D923-Y976 PolarHBondContact N-OH 3.44Å; D923-Y976 PolarHBondContact O-OH 3Å; V944-Y976 HydrophobicContact CB-CE2 4.25Å; V944-Y976 HydrophobicContact CG1-CD2 3.74Å; V944-Y976 HydrophobicContact CG1-CE2 3.79Å; V944-Y976 HydrophobicContact CG1-CG 4.24Å; V944-Y976 WeakPolarHBondContact O-CE2 3.44Å; M946-Y976 HydrophobicContact CB-CD2 3.87Å; A970-Y976 HydrophobicContact CB-CD2 4.33Å; A970-Y976 HydrophobicContact CB-CG 4.48Å; A970-Y976 VanDerWaalsContact CB-N 3.27Å; N972-Y976 PolarHBondContact O-N 3.49Å; R973-Y976 WeakPolarHBondContact O-CB 3.39Å; R973-Y976 PolarHBondContact O-N 3.08Å; Q974-Y976 VanDerWaalsContact C-N 3.27Å; Q974-Y976 PolarHBondContact O-N 3.35Å; Y976-A980 WeakPolarHBondContact O-CB 3.42Å; Y976-A980 PolarHBondContact O-N 3.22Å; Y976-A980 VanDerWaalsContact O-N 3.13Å
977E98.9Very high98.4Very high16 Ų1651.2 Ų51.28%0.07525%0.249CC..Hα-helixtrans-63.3-41.3176.4-66.3180-164.400111.9M860 N863 I864 R867 R973 Q974 A980 V981M860-E977 HydrophobicContact CB-CG 4.17Å; M860-E977 HydrophobicContact CG-CG 4.44Å; N863-E977 HydrophobicContact CB-CG 4.47Å; N863-E977 VanDerWaalsContact CB-OE2 3.31Å; N863-E977 WeakPolarHBondContact CB-OE2 3.42Å; N863-E977 PolarHBondContact ND2-OE1 2.68Å; I864-E977 HydrophobicContact CD1-CG 4.37Å; I864-E977 HydrophobicContact CG1-CB 4.05Å; I864-E977 HydrophobicContact CG1-CG 4.05Å; R867-E977 IonicContact NH1-OE2 3.73Å; R973-E977 WeakPolarHBondContact O-CG 3.47Å; R973-E977 PolarHBondContact O-N 2.75Å; Q974-E977 PolarHBondContact O-N 2.99Å; E977-A980 PolarHBondContact O-N 3Å; E977-V981 WeakPolarHBondContact O-CB 3.32Å; E977-V981 WeakPolarHBondContact O-CG2 3.5Å; E977-V981 PolarHBondContact O-N 3.09Å
978D98.9Very high98.2Very high63 Ų6353.1 Ų53.134%0.33726%0.258SS..Hα-helixtrans-67.9-41.7-177.8-67.7-23.1000112.6R867 Q974 E975 K982R867-D978 IonicContact CZ-OD1 2.83Å; R867-D978 VanDerWaalsContact CZ-OD1 3.24Å; R867-D978 IonicContact NH1-OD1 3.32Å; R867-D978 PolarHBondContact NH1-OD1 3.23Å; R867-D978 IonicContact NH2-OD1 3.83Å; R867-D978 PolarHBondContact NH2-OD1 3.32Å; Q974-D978 PolarHBondContact NE2-OD1 2.97Å; Q974-D978 PolarHBondContact NE2-OD2 2.86Å; Q974-D978 WeakPolarHBondContact O-CB 3.44Å; Q974-D978 PolarHBondContact O-N 3.26Å; E975-D978 PolarHBondContact O-N 2.85Å; D978-K982 VanDerWaalsContact O-CB 3.26Å; D978-K982 WeakPolarHBondContact O-CB 3.45Å; D978-K982 PolarHBondContact O-N 2.85Å
979I98.9Very high98Very high21 Ų2155 Ų5511%0.10827%0.265CS..Hα-helixtrans-61-48.8173.8-68.6166.3000109.8V944 L968 A970 E975 K982 L983V944-I979 HydrophobicContact CG1-CB 4.18Å; V944-I979 HydrophobicContact CG1-CG2 3.92Å; V944-I979 HydrophobicContact CG2-CG2 3.8Å; L968-I979 HydrophobicContact CD2-CG2 4.19Å; A970-I979 HydrophobicContact CB-CD1 4.08Å; E975-I979 HydrophobicContact CG-CD1 3.94Å; E975-I979 HydrophobicContact CG-CG1 4.37Å; E975-I979 WeakPolarHBondContact O-CB 3.45Å; E975-I979 VanDerWaalsContact O-CG1 3.23Å; E975-I979 WeakPolarHBondContact O-CG1 3.43Å; E975-I979 PolarHBondContact O-N 3.48Å; I979-K982 PolarHBondContact O-N 2.96Å; I979-L983 HydrophobicContact CG2-CD1 3.98Å; I979-L983 WeakPolarHBondContact O-CG 3.44Å; I979-L983 PolarHBondContact O-N 3.38Å
980A98.9Very high97.9Very high0 Ų054.1 Ų54.10%026%0.261CS..Hα-helixtrans-60.7-49.5179.600000111.5Y844 I864 L922 Y976 E977 K982 L983 G984Y844-A980 HydrophobicContact CE1-CB 4.27Å; Y844-A980 PolarHBondContact OH-O 3.31Å; I864-A980 HydrophobicContact CD1-CB 3.53Å; I864-A980 HydrophobicContact CG1-CB 3.89Å; I864-A980 HydrophobicContact CG2-CB 3.99Å; L922-A980 HydrophobicContact CD2-CB 3.69Å; Y976-A980 WeakPolarHBondContact O-CB 3.42Å; Y976-A980 PolarHBondContact O-N 3.22Å; Y976-A980 VanDerWaalsContact O-N 3.13Å; E977-A980 PolarHBondContact O-N 3Å; A980-K982 VanDerWaalsContact C-N 3.34Å; A980-K982 PolarHBondContact O-N 3.16Å; A980-L983 WeakPolarHBondContact O-CB 3.4Å; A980-L983 PolarHBondContact O-N 3.5Å; A980-L983 VanDerWaalsContact O-N 3.15Å; A980-G984 PolarHBondContact O-N 2.93Å
981V98.9Very high97.7Very high15 Ų1558.7 Ų58.79%0.09128%0.281CS..Hα-helixtrans-62.5-40.6179.7169.60000111.6I864 R867 V868 E977 G984 T985I864-V981 HydrophobicContact CB-CG2 4.36Å; I864-V981 HydrophobicContact CG1-CG2 4.31Å; I864-V981 HydrophobicContact CG2-CG2 4.17Å; R867-V981 HydrophobicContact CB-CG1 4.08Å; R867-V981 HydrophobicContact CB-CG2 3.62Å; R867-V981 HydrophobicContact CG-CG2 4.45Å; V868-V981 HydrophobicContact CG2-CB 4.25Å; V868-V981 HydrophobicContact CG2-CG1 4.09Å; V868-V981 HydrophobicContact CG2-CG2 4.06Å; E977-V981 WeakPolarHBondContact O-CB 3.32Å; E977-V981 WeakPolarHBondContact O-CG2 3.5Å; E977-V981 PolarHBondContact O-N 3.09Å; V981-G984 CarbonylContact O-C 3.57Å; V981-G984 PolarHBondContact O-N 2.94Å; V981-G984 VanDerWaalsContact O-N 3.16Å; V981-T985 HydrophobicContact CG1-CG2 4.33Å; V981-T985 WeakPolarHBondContact O-CB 3.45Å; V981-T985 WeakPolarHBondContact O-CG2 3.43Å; V981-T985 PolarHBondContact O-N 3.24Å; V981-T985 PolarHBondContact O-OG1 3.24Å
982K98.8Very high97.5Very high97 Ų9754.9 Ų54.942%0.42226%0.264SS..Hα-helixtrans-59-47173.3-174.6177.9-179.4179.20111.2D978 I979 A980 G984 T985 D986 Y989D978-K982 VanDerWaalsContact O-CB 3.26Å; D978-K982 WeakPolarHBondContact O-CB 3.45Å; D978-K982 PolarHBondContact O-N 2.85Å; I979-K982 PolarHBondContact O-N 2.96Å; A980-K982 VanDerWaalsContact C-N 3.34Å; A980-K982 PolarHBondContact O-N 3.16Å; K982-G984 VanDerWaalsContact C-N 3.25Å; K982-G984 PolarHBondContact O-N 2.94Å; K982-T985 PolarHBondContact O-N 3.22Å; K982-D986 HydrophobicContact CG-CB 4.39Å; K982-D986 WeakPolarHBondContact O-CB 3.49Å; K982-D986 PolarHBondContact O-N 2.98Å; K982-Y989 HydrophobicContact CD-CD1 3.98Å; K982-Y989 HydrophobicContact CD-CE1 3.91Å; K982-Y989 HydrophobicContact CD-CG 4.49Å; K982-Y989 HydrophobicContact CG-CD1 3.85Å; K982-Y989 HydrophobicContact CG-CE1 4.15Å; K982-Y989 HydrophobicContact CG-CG 4.49Å
983L98.6Very high97.4Very high0 Ų051.1 Ų51.10%024%0.244CC..Hα-helixtrans-63.2-29.9175.9-70.5164000113V920 V944 L968 I979 A980 Y989 L990 I993V920-L983 HydrophobicContact CG1-CD1 3.99Å; V920-L983 HydrophobicContact CG2-CB 3.68Å; V920-L983 HydrophobicContact CG2-CD1 4.09Å; V920-L983 HydrophobicContact CG2-CG 4.39Å; V944-L983 HydrophobicContact CG2-CD1 3.64Å; L968-L983 HydrophobicContact CD2-CD1 3.8Å; I979-L983 HydrophobicContact CG2-CD1 3.98Å; I979-L983 WeakPolarHBondContact O-CG 3.44Å; I979-L983 PolarHBondContact O-N 3.38Å; A980-L983 WeakPolarHBondContact O-CB 3.4Å; A980-L983 PolarHBondContact O-N 3.5Å; A980-L983 VanDerWaalsContact O-N 3.15Å; L983-Y989 HydrophobicContact CD2-CD1 3.79Å; L983-Y989 HydrophobicContact CD2-CE1 3.72Å; L983-Y989 HydrophobicContact CG-CD1 4.34Å; L983-Y989 HydrophobicContact CG-CE1 4.14Å; L983-L990 HydrophobicContact CB-CD1 4.33Å; L983-L990 HydrophobicContact CD2-CD1 4.13Å; L983-L990 WeakPolarHBondContact O-CB 3.34Å; L983-I993 HydrophobicContact CD2-CB 4Å; L983-I993 HydrophobicContact CD2-CG1 3.97Å; L983-I993 HydrophobicContact CD2-CG2 4.11Å
984G98.4Very high97.3Very high6 Ų645.7 Ų45.76%0.06222%0.224CC..Hα-helixtrans-86-7.1176.800000115.9I842 Y844 V868 A980 V981 K982I842-G984 WeakPolarHBondContact CG1-O 3.45Å; Y844-G984 VanDerWaalsContact OH-CA 3.3Å; Y844-G984 WeakPolarHBondContact OH-CA 3.42Å; V868-G984 WeakPolarHBondContact CG1-O 3.43Å; A980-G984 PolarHBondContact O-N 2.93Å; V981-G984 CarbonylContact O-C 3.57Å; V981-G984 PolarHBondContact O-N 2.94Å; V981-G984 VanDerWaalsContact O-N 3.16Å; K982-G984 VanDerWaalsContact C-N 3.25Å; K982-G984 PolarHBondContact O-N 2.94Å
985T98.2Very high97.1Very high82 Ų8240.9 Ų40.950%0.50320%0.201SC..Hα-helixtrans-123-36.9-175.551.80000113V868 V981 K982 L987V868-T985 HydrophobicContact CG1-CG2 4.32Å; V868-T985 HydrophobicContact CG2-CG2 3.96Å; V981-T985 HydrophobicContact CG1-CG2 4.33Å; V981-T985 WeakPolarHBondContact O-CB 3.45Å; V981-T985 WeakPolarHBondContact O-CG2 3.43Å; V981-T985 PolarHBondContact O-N 3.24Å; V981-T985 PolarHBondContact O-OG1 3.24Å; K982-T985 PolarHBondContact O-N 3.22Å; T985-L987 PolarHBondContact O-N 3.41Å
986D97.4Very high96.9Very high69 Ų6940 Ų4037%0.36920%0.197SC..  trans-92.690174.7-175.9-14.2000109.6K982 E988 Y989 L990K982-D986 HydrophobicContact CG-CB 4.39Å; K982-D986 WeakPolarHBondContact O-CB 3.49Å; K982-D986 PolarHBondContact O-N 2.98Å; D986-E988 VanDerWaalsContact C-N 3.28Å; D986-E988 PolarHBondContact O-N 3.44Å; D986-E988 PolarHBondContact OD1-N 2.93Å; D986-Y989 WeakPolarHBondContact O-CB 3.48Å; D986-Y989 PolarHBondContact O-N 3.2Å; D986-Y989 WeakPolarHBondContact OD1-CB 3.33Å; D986-Y989 PolarHBondContact OD1-N 3.49Å; D986-Y989 WeakPolarHBondContact OD2-CB 3.34Å; D986-L990 PolarHBondContact O-N 2.67Å
987L93.4Very high96.8Very high101 Ų10140 Ų4053%0.52920%0.197SC..Hα-helixtrans-65.3-28.4-175.7-59.5-176000113.3I842 T985 L990 K991I842-L987 HydrophobicContact CD1-CD2 3.92Å; T985-L987 PolarHBondContact O-N 3.41Å; L987-L990 HydrophobicContact CD2-CD2 4.44Å; L987-K991 VanDerWaalsContact O-CB 3.29Å; L987-K991 WeakPolarHBondContact O-CB 3.39Å; L987-K991 PolarHBondContact O-N 2.92Å
988E93.2Very high96.7Very high97 Ų9739.8 Ų39.845%0.45320%0.195SC..Hα-helixtrans-73.8-38.5175-80.8-65.7118.300110.9K757 D986 K991 K992K757-E988 IonicContact NZ-OE2 2.75Å; K757-E988 PolarHBondContact NZ-OE2 3.18Å; D986-E988 VanDerWaalsContact C-N 3.28Å; D986-E988 PolarHBondContact O-N 3.44Å; D986-E988 PolarHBondContact OD1-N 2.93Å; E988-K991 PolarHBondContact O-N 3.25Å; E988-K992 WeakPolarHBondContact O-CB 3.43Å; E988-K992 PolarHBondContact O-N 3.15Å
989Y96.1Very high96.6Very high40 Ų4040.5 Ų40.516%0.15720%0.195CC..Hα-helixtrans-63.4-46.3171-175.9-107.6000111.5K982 L983 D986 K991 K992 I993K982-Y989 HydrophobicContact CD-CD1 3.98Å; K982-Y989 HydrophobicContact CD-CE1 3.91Å; K982-Y989 HydrophobicContact CD-CG 4.49Å; K982-Y989 HydrophobicContact CG-CD1 3.85Å; K982-Y989 HydrophobicContact CG-CE1 4.15Å; K982-Y989 HydrophobicContact CG-CG 4.49Å; L983-Y989 HydrophobicContact CD2-CD1 3.79Å; L983-Y989 HydrophobicContact CD2-CE1 3.72Å; L983-Y989 HydrophobicContact CG-CD1 4.34Å; L983-Y989 HydrophobicContact CG-CE1 4.14Å; D986-Y989 WeakPolarHBondContact O-CB 3.48Å; D986-Y989 PolarHBondContact O-N 3.2Å; D986-Y989 WeakPolarHBondContact OD1-CB 3.33Å; D986-Y989 PolarHBondContact OD1-N 3.49Å; D986-Y989 WeakPolarHBondContact OD2-CB 3.34Å; Y989-K991 VanDerWaalsContact C-N 3.33Å; Y989-K991 PolarHBondContact O-N 3.25Å; Y989-K992 WeakPolarHBondContact O-CB 3.46Å; Y989-K992 PolarHBondContact O-N 3.3Å; Y989-K992 VanDerWaalsContact O-N 3.16Å; Y989-I993 HydrophobicContact CD1-CG1 4.15Å; Y989-I993 HydrophobicContact CD2-CG1 4.34Å; Y989-I993 HydrophobicContact CE1-CD1 4.42Å; Y989-I993 HydrophobicContact CE1-CG1 3.77Å; Y989-I993 HydrophobicContact CE2-CD1 3.94Å; Y989-I993 HydrophobicContact CE2-CG1 3.97Å; Y989-I993 HydrophobicContact CG-CG1 4.42Å; Y989-I993 WeakPolarHBondContact O-CG1 3.48Å; Y989-I993 PolarHBondContact O-N 3.03Å
990L96.5Very high96.4Very high9 Ų942 Ų425%0.04720%0.202CC..Hα-helixtrans-54-50.1174.1177.761.3000111.4I842 D919 V920 L983 D986 L987 K992 I993 R994I842-L990 HydrophobicContact CD1-CD2 3.91Å; D919-L990 HydrophobicContact CB-CD2 4.1Å; V920-L990 HydrophobicContact CG2-CD1 3.73Å; L983-L990 HydrophobicContact CB-CD1 4.33Å; L983-L990 HydrophobicContact CD2-CD1 4.13Å; L983-L990 WeakPolarHBondContact O-CB 3.34Å; D986-L990 PolarHBondContact O-N 2.67Å; L987-L990 HydrophobicContact CD2-CD2 4.44Å; L990-K992 VanDerWaalsContact C-N 3.31Å; L990-K992 PolarHBondContact O-N 3.44Å; L990-I993 PolarHBondContact O-N 3.28Å; L990-R994 HydrophobicContact CD1-CG 3.97Å; L990-R994 HydrophobicContact CG-CG 4.34Å; L990-R994 WeakPolarHBondContact O-CB 3.45Å; L990-R994 VanDerWaalsContact O-CG 3.3Å; L990-R994 WeakPolarHBondContact O-CG 3.18Å; L990-R994 PolarHBondContact O-N 2.94Å
991K93.8Very high96.3Very high97 Ų9742.1 Ų42.142%0.42220%0.202SC..Hα-helixtrans-58.7-41.8178.4-175.2177.2-177.9176.60112.2L987 E988 Y989 G995L987-K991 VanDerWaalsContact O-CB 3.29Å; L987-K991 WeakPolarHBondContact O-CB 3.39Å; L987-K991 PolarHBondContact O-N 2.92Å; E988-K991 PolarHBondContact O-N 3.25Å; Y989-K991 VanDerWaalsContact C-N 3.33Å; Y989-K991 PolarHBondContact O-N 3.25Å; K991-G995 PolarHBondContact O-N 3.35Å
992K94.5Very high96.2Very high81 Ų8145.9 Ų45.935%0.35222%0.221SC..Hα-helixtrans-62.2-47.9175.8176.5-178.5177.9176.80111.6P759 E988 Y989 L990 G995 K996P759-K992 HydrophobicContact CG-CD 4.27Å; P759-K992 VanDerWaalsContact CG-CE 3.43Å; P759-K992 HydrophobicContact CG-CG 3.78Å; E988-K992 WeakPolarHBondContact O-CB 3.43Å; E988-K992 PolarHBondContact O-N 3.15Å; Y989-K992 WeakPolarHBondContact O-CB 3.46Å; Y989-K992 PolarHBondContact O-N 3.3Å; Y989-K992 VanDerWaalsContact O-N 3.16Å; L990-K992 VanDerWaalsContact C-N 3.31Å; L990-K992 PolarHBondContact O-N 3.44Å; K992-G995 PolarHBondContact O-N 3.1Å; K992-K996 PolarHBondContact O-N 3Å
993I96.9Very high96Very high1 Ų144.7 Ų44.71%0.00523%0.225CC..Hα-helixtrans-68.2-43.3-179-63.8-53.4000111.2P942 E967 L968 L983 Y989 L990 G995 K996 V997P942-I993 HydrophobicContact CB-CG2 3.72Å; P942-I993 HydrophobicContact CG-CG2 3.67Å; E967-I993 HydrophobicContact CG-CD1 3.76Å; E967-I993 VanDerWaalsContact OE1-CD1 3.27Å; E967-I993 WeakPolarHBondContact OE1-CD1 3.35Å; L968-I993 HydrophobicContact CD1-CG2 4.06Å; L968-I993 HydrophobicContact CD2-CG2 3.98Å; L968-I993 HydrophobicContact CG-CG2 4.39Å; L983-I993 HydrophobicContact CD2-CB 4Å; L983-I993 HydrophobicContact CD2-CG1 3.97Å; L983-I993 HydrophobicContact CD2-CG2 4.11Å; Y989-I993 HydrophobicContact CD1-CG1 4.15Å; Y989-I993 HydrophobicContact CD2-CG1 4.34Å; Y989-I993 HydrophobicContact CE1-CD1 4.42Å; Y989-I993 HydrophobicContact CE1-CG1 3.77Å; Y989-I993 HydrophobicContact CE2-CD1 3.94Å; Y989-I993 HydrophobicContact CE2-CG1 3.97Å; Y989-I993 HydrophobicContact CG-CG1 4.42Å; Y989-I993 WeakPolarHBondContact O-CG1 3.48Å; Y989-I993 PolarHBondContact O-N 3.03Å; L990-I993 PolarHBondContact O-N 3.28Å; I993-G995 VanDerWaalsContact C-N 3.32Å; I993-G995 PolarHBondContact O-N 3.22Å; I993-K996 WeakPolarHBondContact O-CB 3.06Å; I993-K996 PolarHBondContact O-N 3.12Å; I993-K996 VanDerWaalsContact O-N 3.14Å; I993-V997 HydrophobicContact CG2-CG2 4.49Å; I993-V997 WeakPolarHBondContact O-CG2 3.28Å; I993-V997 PolarHBondContact O-N 2.94Å
994R96.2Very high95.9Very high7 Ų745.1 Ų45.13%0.02623%0.228CC..Hα-helixtrans-58-44.7173.2-71.3178.865.374.70.3111.4D731 A918 D919 P942 L990 K996 V997 W998D731-R994 IonicContact OD1-CZ 3.64Å; D731-R994 IonicContact OD1-NE 3.59Å; D731-R994 PolarHBondContact OD1-NE 3.22Å; D731-R994 VanDerWaalsContact OD1-NE 3.13Å; D731-R994 IonicContact OD1-NH2 3.24Å; D731-R994 PolarHBondContact OD1-NH2 3.46Å; D731-R994 IonicContact OD2-CZ 2.93Å; D731-R994 IonicContact OD2-NE 2.66Å; D731-R994 PolarHBondContact OD2-NE 2.96Å; D731-R994 IonicContact OD2-NH2 3.4Å; D731-R994 PolarHBondContact OD2-NH2 3.19Å; A918-R994 PolarHBondContact O-NH1 3.44Å; D919-R994 PolarHBondContact O-NH1 3.2Å; P942-R994 HydrophobicContact CG-CB 4.41Å; P942-R994 HydrophobicContact CG-CG 3.65Å; L990-R994 HydrophobicContact CD1-CG 3.97Å; L990-R994 HydrophobicContact CG-CG 4.34Å; L990-R994 WeakPolarHBondContact O-CB 3.45Å; L990-R994 VanDerWaalsContact O-CG 3.3Å; L990-R994 WeakPolarHBondContact O-CG 3.18Å; L990-R994 PolarHBondContact O-N 2.94Å; R994-K996 VanDerWaalsContact C-N 3.34Å; R994-K996 PolarHBondContact O-N 3.47Å; R994-V997 PolarHBondContact O-N 3.42Å; R994-W998 WeakPolarHBondContact O-CB 3.49Å; R994-W998 PolarHBondContact O-N 2.9Å
995G94.4Very high95.9Very high1 Ų146.1 Ų46.11%0.0123%0.233CC..Hα-helixtrans-58.4-43.4173.800000113C758 K991 K992 I993 W998 K999C758-G995 PolarHBondContact SG-O 3.17Å; K991-G995 PolarHBondContact O-N 3.35Å; K992-G995 PolarHBondContact O-N 3.1Å; I993-G995 VanDerWaalsContact C-N 3.32Å; I993-G995 PolarHBondContact O-N 3.22Å; G995-W998 PolarHBondContact O-N 3.21Å; G995-K999 PolarHBondContact O-N 2.98Å
996K95.6Very high95.9Very high37 Ų3742.2 Ų42.216%0.16121%0.209CC..Hα-helixtrans-59.6-53.8175.9-170.2-176.3-179.71780111.8P759 G964 E967 K992 I993 R994 W998 K999 Q1000P759-K996 HydrophobicContact CG-CB 4.04Å; P759-K996 HydrophobicContact CG-CD 4.02Å; P759-K996 HydrophobicContact CG-CG 4.14Å; G964-K996 WeakPolarHBondContact O-CE 3.45Å; G964-K996 PolarHBondContact O-NZ 3.12Å; E967-K996 VanDerWaalsContact OE1-CD 3.25Å; E967-K996 WeakPolarHBondContact OE1-CD 3.43Å; E967-K996 IonicContact OE1-NZ 3.65Å; E967-K996 PolarHBondContact OE1-NZ 3.23Å; E967-K996 IonicContact OE2-NZ 3.64Å; E967-K996 PolarHBondContact OE2-NZ 3.22Å; K992-K996 PolarHBondContact O-N 3Å; I993-K996 WeakPolarHBondContact O-CB 3.06Å; I993-K996 PolarHBondContact O-N 3.12Å; I993-K996 VanDerWaalsContact O-N 3.14Å; R994-K996 VanDerWaalsContact C-N 3.34Å; R994-K996 PolarHBondContact O-N 3.47Å; K996-W998 VanDerWaalsContact C-N 3.35Å; K996-W998 PolarHBondContact O-N 3.49Å; K996-K999 PolarHBondContact O-N 2.96Å; K996-Q1000 HydrophobicContact CG-CG 4.27Å; K996-Q1000 WeakPolarHBondContact O-CB 3.47Å; K996-Q1000 VanDerWaalsContact O-CG 3.29Å; K996-Q1000 WeakPolarHBondContact O-CG 3.47Å; K996-Q1000 PolarHBondContact O-N 2.8Å
997V97.3Very high96Very high0 Ų039.3 Ų39.30%019%0.194CC..Hα-helixtrans-59.5-46.3178.9174.90000110.6L937 P942 L963 L968 I993 R994 K999 Q1000 R1001L937-V997 HydrophobicContact CD2-CG1 4.17Å; P942-V997 HydrophobicContact CB-CG2 4.22Å; P942-V997 HydrophobicContact CG-CG2 4.12Å; L963-V997 HydrophobicContact CD2-CB 4.44Å; L963-V997 HydrophobicContact CD2-CG1 4.01Å; L963-V997 HydrophobicContact CD2-CG2 4.25Å; L968-V997 HydrophobicContact CD1-CG2 4.46Å; I993-V997 HydrophobicContact CG2-CG2 4.49Å; I993-V997 WeakPolarHBondContact O-CG2 3.28Å; I993-V997 PolarHBondContact O-N 2.94Å; R994-V997 PolarHBondContact O-N 3.42Å; V997-K999 VanDerWaalsContact C-N 3.31Å; V997-K999 PolarHBondContact O-N 3.46Å; V997-Q1000 PolarHBondContact O-N 3.47Å; V997-R1001 PolarHBondContact O-N 3.13Å
998W96.7Very high96.2Very high12 Ų1237.7 Ų37.75%0.04519%0.185CC..Hα-helixtrans-62.8-34.6-178-178.2-93.4000113.2L715 K718 M756 L772 A939 R994 G995 K996 R1001L715-W998 WeakPolarHBondContact O-CH2 3.25Å; K718-W998 HydrophobicContact CB-CH2 3.92Å; K718-W998 HydrophobicContact CB-CZ2 4.28Å; K718-W998 HydrophobicContact CD-CE3 4.48Å; K718-W998 HydrophobicContact CD-CH2 3.67Å; K718-W998 HydrophobicContact CD-CZ2 4.15Å; K718-W998 HydrophobicContact CD-CZ3 3.85Å; K718-W998 HydrophobicContact CG-CH2 3.65Å; K718-W998 HydrophobicContact CG-CZ2 3.77Å; K718-W998 HydrophobicContact CG-CZ3 4.34Å; M756-W998 HydrophobicContact CE-CB 4.13Å; M756-W998 HydrophobicContact CE-CG 3.86Å; M756-W998 VanDerWaalsContact SD-CD1 3.58Å; M756-W998 HydrophobicContact SD-CG 4.36Å; L772-W998 HydrophobicContact CD2-CG 4.35Å; A939-W998 WeakPolarHBondContact O-CZ3 3.36Å; R994-W998 WeakPolarHBondContact O-CB 3.49Å; R994-W998 PolarHBondContact O-N 2.9Å; G995-W998 PolarHBondContact O-N 3.21Å; K996-W998 VanDerWaalsContact C-N 3.35Å; K996-W998 PolarHBondContact O-N 3.49Å; W998-R1001 WeakPolarHBondContact O-CG 3.24Å; W998-R1001 PolarHBondContact O-NE 3.25Å
999K95.3Very high96.5Very high77 Ų7733.7 Ų33.734%0.33517%0.167SC..Hα-helixtrans-74.7-51.1171.2179.1-178.9174.6-1750111.4C758 L772 G995 K996 V997 R1001 I1002 S1003C758-K999 HydrophobicContact CB-CD 4.4Å; L772-K999 HydrophobicContact CD1-CB 4Å; L772-K999 HydrophobicContact CD1-CD 4.32Å; L772-K999 HydrophobicContact CD1-CG 3.86Å; G995-K999 PolarHBondContact O-N 2.98Å; K996-K999 PolarHBondContact O-N 2.96Å; V997-K999 VanDerWaalsContact C-N 3.31Å; V997-K999 PolarHBondContact O-N 3.46Å; K999-R1001 VanDerWaalsContact C-N 3.3Å; K999-R1001 PolarHBondContact O-N 3.44Å; K999-I1002 PolarHBondContact O-N 3.41Å; K999-I1002 VanDerWaalsContact O-N 3.1Å; K999-S1003 PolarHBondContact O-N 3.08Å; K999-S1003 PolarHBondContact O-OG 3.44Å
1000Q95.8Very high96.6Very high54 Ų5436 Ų3625%0.25218%0.178SC..Hα-helixtrans-67.3-27.3-169.6-72.4-69.328.200113.8L963 K996 V997 I1002 S1003 S1004L963-Q1000 VanDerWaalsContact CD1-C 3.46Å; L963-Q1000 HydrophobicContact CD1-CB 3.66Å; L963-Q1000 HydrophobicContact CG-CB 3.92Å; L963-Q1000 VanDerWaalsContact O-CB 3.28Å; L963-Q1000 WeakPolarHBondContact O-CB 3.15Å; L963-Q1000 WeakPolarHBondContact O-CG 3.29Å; K996-Q1000 HydrophobicContact CG-CG 4.27Å; K996-Q1000 WeakPolarHBondContact O-CB 3.47Å; K996-Q1000 VanDerWaalsContact O-CG 3.29Å; K996-Q1000 WeakPolarHBondContact O-CG 3.47Å; K996-Q1000 PolarHBondContact O-N 2.8Å; V997-Q1000 PolarHBondContact O-N 3.47Å; Q1000-I1002 PolarHBondContact O-N 3.48Å; Q1000-S1003 WeakPolarHBondContact CA-OG 3.44Å; Q1000-S1003 PolarHBondContact O-N 3.25Å; Q1000-S1003 PolarHBondContact OE1-OG 3.03Å; Q1000-S1004 WeakPolarHBondContact O-CA 3.32Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.2Å; Q1000-S1004 PolarHBondContact O-N 3.14Å; Q1000-S1004 PolarHBondContact O-OG 3.39Å
1001R96.5Very high96.7Very high1 Ų138.4 Ų38.40%0.00419%0.189CC..Hα-helixtrans-59.7-17.9174.373.4-172.1180102.8-11.2113.8L715 K716 W938 L963 V997 W998 K999 F1007L715-R1001 PolarHBondContact O-NH1 3.01Å; L715-R1001 PolarHBondContact O-NH2 3.48Å; K716-R1001 PolarHBondContact O-NH2 3.05Å; K716-R1001 VanDerWaalsContact O-NH2 3.14Å; W938-R1001 HydrophobicContact CE3-CB 4.46Å; W938-R1001 WeakPolarHBondContact O-CD 3.46Å; W938-R1001 PolarHBondContact O-NH1 3.09Å; W938-R1001 VanDerWaalsContact O-NH1 3.14Å; L963-R1001 HydrophobicContact CD1-CB 4.32Å; V997-R1001 PolarHBondContact O-N 3.13Å; W998-R1001 WeakPolarHBondContact O-CG 3.24Å; W998-R1001 PolarHBondContact O-NE 3.25Å; K999-R1001 VanDerWaalsContact C-N 3.3Å; K999-R1001 PolarHBondContact O-N 3.44Å; R1001-F1007 HydrophobicContact CB-CD2 3.97Å; R1001-F1007 HydrophobicContact CB-CE2 3.93Å; R1001-F1007 WeakPolarHBondContact O-CD2 3.29Å
1002I96Very high96.9Very high94 Ų9434.1 Ų34.148%0.48217%0.17SC..Hα-helixtrans-102.4-41.1176.2-52.7-58.7000111.3K716 W938 K999 Q1000K716-I1002 HydrophobicContact CG-CD1 4.12Å; W938-I1002 HydrophobicContact CH2-CD1 3.72Å; W938-I1002 HydrophobicContact CZ3-CD1 3.97Å; K999-I1002 PolarHBondContact O-N 3.41Å; K999-I1002 VanDerWaalsContact O-N 3.1Å; Q1000-I1002 PolarHBondContact O-N 3.48Å
1003S94.6Very high97.2Very high72 Ų7230.2 Ų30.250%0.50315%0.154SC..Hα-helixtrans-86.3-17.9-175.951.50000114.8K999 Q1000K999-S1003 PolarHBondContact O-N 3.08Å; K999-S1003 PolarHBondContact O-OG 3.44Å; Q1000-S1003 WeakPolarHBondContact CA-OG 3.44Å; Q1000-S1003 PolarHBondContact O-N 3.25Å; Q1000-S1003 PolarHBondContact OE1-OG 3.03Å
1004S97.5Very high97.2Very high10 Ų1035.1 Ų35.17%0.0718%0.178CC..SBendtrans-89.9165.3177.295.60000111.9C962 Q1000 L1006C962-S1004 WeakPolarHBondContact O-CB 3.41Å; C962-S1004 PolarHBondContact O-OG 3.39Å; Q1000-S1004 WeakPolarHBondContact O-CA 3.32Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.2Å; Q1000-S1004 PolarHBondContact O-N 3.14Å; Q1000-S1004 PolarHBondContact O-OG 3.39Å; S1004-L1006 PolarHBondContact O-N 3.4Å; S1004-L1006 WeakPolarHBondContact OG-CB 3.46Å; S1004-L1006 PolarHBondContact OG-N 2.94Å
1005P98.3Very high97.3Very high26 Ų2636.2 Ų36.217%0.16918%0.183CC..G310 helixtrans-66.7-15.5178.6-21.234.3000114.6F1007 N1008P1005-F1007 VanDerWaalsContact C-N 3.28Å; P1005-F1007 PolarHBondContact O-N 3.1Å; P1005-F1007 VanDerWaalsContact O-N 3.09Å; P1005-N1008 PolarHBondContact O-N 3.5Å
1006L98.6Very high97.5Very high1 Ų136.1 Ų36.11%0.00518%0.183CC..G310 helixtrans-56.8-35-164.5-175.862.4000114.7T702 M934 L937 Q959 C962 L963 S1004T702-L1006 HydrophobicContact CG2-CD1 3.86Å; M934-L1006 HydrophobicContact CE-CD1 3.81Å; M934-L1006 HydrophobicContact CE-CD2 4.48Å; M934-L1006 HydrophobicContact CE-CG 3.76Å; M934-L1006 WeakPolarHBondContact CE-O 3.34Å; M934-L1006 HydrophobicContact SD-CD1 3.72Å; M934-L1006 HydrophobicContact SD-CD2 4.2Å; M934-L1006 HydrophobicContact SD-CG 3.98Å; L937-L1006 HydrophobicContact CD1-CD2 3.82Å; Q959-L1006 HydrophobicContact CB-CD1 4.22Å; Q959-L1006 HydrophobicContact CG-CD1 4.3Å; C962-L1006 HydrophobicContact CB-CD1 4.24Å; C962-L1006 PolarHBondContact SG-N 3.02Å; L963-L1006 HydrophobicContact CB-CD2 4.15Å; L963-L1006 HydrophobicContact CD1-CD2 4.02Å; S1004-L1006 PolarHBondContact O-N 3.4Å; S1004-L1006 WeakPolarHBondContact OG-CB 3.46Å; S1004-L1006 PolarHBondContact OG-N 2.94Å
1007F98.7Very high97.7Very high8 Ų835.1 Ų35.14%0.03518%0.178CC..G310 helixtrans-116.514.3177.8-62.7-83.6000112.6H708 M934 L937 W938 R1001 P1005 T1009H708-F1007 HydrophobicContact CB-CD1 3.86Å; H708-F1007 HydrophobicContact CB-CE1 3.93Å; H708-F1007 AromaticContact CG-CE1 3.67Å; H708-F1007 AromaticContact ND1-CD1 3.84Å; H708-F1007 AromaticContact ND1-CE1 3.54Å; M934-F1007 HydrophobicContact CB-CE1 4.08Å; M934-F1007 HydrophobicContact CB-CZ 4.36Å; M934-F1007 HydrophobicContact CE-CD1 3.66Å; M934-F1007 HydrophobicContact CE-CE1 3.34Å; M934-F1007 HydrophobicContact CE-CE2 4.4Å; M934-F1007 HydrophobicContact CE-CG 4.32Å; M934-F1007 HydrophobicContact CE-CZ 3.76Å; M934-F1007 WeakPolarHBondContact O-CZ 3.5Å; M934-F1007 HydrophobicContact SD-CE1 4.26Å; M934-F1007 HydrophobicContact SD-CZ 4.22Å; L937-F1007 HydrophobicContact CB-CE2 4.3Å; L937-F1007 HydrophobicContact CB-CZ 4.15Å; W938-F1007 HydrophobicContact CB-CE1 4.05Å; W938-F1007 HydrophobicContact CB-CZ 3.93Å; W938-F1007 HydrophobicContact CD2-CD1 4.47Å; W938-F1007 HydrophobicContact CD2-CE1 4.46Å; W938-F1007 HydrophobicContact CE3-CB 4.09Å; W938-F1007 AromaticContact CE3-CD1 3.64Å; W938-F1007 HydrophobicContact CE3-CD1 3.64Å; W938-F1007 AromaticContact CE3-CD2 3.68Å; W938-F1007 HydrophobicContact CE3-CD2 3.68Å; W938-F1007 AromaticContact CE3-CE1 3.87Å; W938-F1007 HydrophobicContact CE3-CE1 3.87Å; W938-F1007 AromaticContact CE3-CE2 3.92Å; W938-F1007 HydrophobicContact CE3-CE2 3.92Å; W938-F1007 AromaticContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CZ 4.02Å; W938-F1007 HydrophobicContact CZ3-CB 3.69Å; W938-F1007 HydrophobicContact CZ3-CD1 4.11Å; W938-F1007 AromaticContact CZ3-CD2 3.96Å; W938-F1007 HydrophobicContact CZ3-CD2 3.96Å; W938-F1007 AromaticContact CZ3-CG 3.66Å; W938-F1007 HydrophobicContact CZ3-CG 3.66Å; R1001-F1007 HydrophobicContact CB-CD2 3.97Å; R1001-F1007 HydrophobicContact CB-CE2 3.93Å; R1001-F1007 WeakPolarHBondContact O-CD2 3.29Å; P1005-F1007 VanDerWaalsContact C-N 3.28Å; P1005-F1007 PolarHBondContact O-N 3.1Å; P1005-F1007 VanDerWaalsContact O-N 3.09Å; F1007-T1009 PolarHBondContact O-N 3.29Å
1008N98.6Very high97.7Very high66 Ų6640.8 Ų40.835%0.35320%0.2SC..  trans-91.782.8178.4-170.9-14.3000110P1005 K1010 Q1011 Y1012P1005-N1008 PolarHBondContact O-N 3.5Å; N1008-K1010 PolarHBondContact O-N 2.89Å; N1008-K1010 PolarHBondContact OD1-N 2.92Å; N1008-Q1011 HydrophobicContact CB-CB 4.1Å; N1008-Q1011 VanDerWaalsContact CG-CB 3.49Å; N1008-Q1011 PolarHBondContact ND2-OE1 3.02Å; N1008-Q1011 PolarHBondContact O-N 3.48Å; N1008-Q1011 PolarHBondContact OD1-N 3.41Å; N1008-Q1011 VanDerWaalsContact OD1-N 3.14Å; N1008-Y1012 WeakPolarHBondContact O-CB 3.35Å; N1008-Y1012 PolarHBondContact O-N 3.17Å
1009T98.6Very high97.8Very high13 Ų1340.3 Ų40.38%0.0820%0.198CC..Hα-helixtrans-58.2-31.8-178.546.40000113.3I577 M580 I705 F1007 T1013I577-T1009 HydrophobicContact CD1-CG2 4.38Å; M580-T1009 WeakPolarHBondContact CE-OG1 3.15Å; M580-T1009 VanDerWaalsContact SD-C 3.58Å; M580-T1009 PolarHBondContact SD-OG1 3.17Å; I705-T1009 HydrophobicContact CD1-CG2 4.09Å; I705-T1009 HydrophobicContact CG1-CG2 3.93Å; F1007-T1009 PolarHBondContact O-N 3.29Å; T1009-T1013 WeakPolarHBondContact O-CB 3.42Å; T1009-T1013 PolarHBondContact O-N 3.4Å; T1009-T1013 PolarHBondContact O-OG1 3.36Å
1010K98.6Very high98Very high88 Ų8836.7 Ų36.738%0.38318%0.182SC..Hα-helixtrans-70.7-47.9178.3-177.560.7-175.6179.40111.8M580 N1008 Y1012 T1013 M1014M580-K1010 HydrophobicContact CB-CD 4.21Å; M580-K1010 HydrophobicContact CG-CD 4.3Å; M580-K1010 PolarHBondContact O-NZ 2.92Å; M580-K1010 HydrophobicContact SD-CB 4.02Å; M580-K1010 HydrophobicContact SD-CD 4.41Å; M580-K1010 PolarHBondContact SD-N 3.25Å; N1008-K1010 PolarHBondContact O-N 2.89Å; N1008-K1010 PolarHBondContact OD1-N 2.92Å; K1010-Y1012 VanDerWaalsContact C-N 3.34Å; K1010-T1013 PolarHBondContact O-N 3.38Å; K1010-M1014 HydrophobicContact CG-SD 4.5Å; K1010-M1014 WeakPolarHBondContact O-CG 3.3Å; K1010-M1014 PolarHBondContact O-N 3.26Å; K1010-M1014 VanDerWaalsContact O-N 3.13Å
1011Q98.5Very high98.1Very high60 Ų6036.1 Ų36.128%0.2818%0.181SC..Hα-helixtrans-60.5-46.4175.2177.8179.7-13.500110.6N1008 T1013 M1014 E1015N1008-Q1011 HydrophobicContact CB-CB 4.1Å; N1008-Q1011 VanDerWaalsContact CG-CB 3.49Å; N1008-Q1011 PolarHBondContact ND2-OE1 3.02Å; N1008-Q1011 PolarHBondContact O-N 3.48Å; N1008-Q1011 PolarHBondContact OD1-N 3.41Å; N1008-Q1011 VanDerWaalsContact OD1-N 3.14Å; Q1011-T1013 VanDerWaalsContact C-N 3.29Å; Q1011-T1013 PolarHBondContact O-N 3.34Å; Q1011-M1014 PolarHBondContact O-N 2.9Å; Q1011-M1014 VanDerWaalsContact O-N 3.12Å; Q1011-E1015 HydrophobicContact CG-CG 4.48Å; Q1011-E1015 VanDerWaalsContact CG-OE1 3.27Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.38Å; Q1011-E1015 PolarHBondContact NE2-OE1 2.95Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.49Å; Q1011-E1015 PolarHBondContact O-N 3.04Å
1012Y98.7Very high98.2Very high7 Ų738.7 Ų38.73%0.02719%0.193CC..Hα-helixtrans-55-45.2176.5-176.6-79.2000111.9I577 W662 M699 F703 I705 N1008 K1010 M1014 E1015 L1016I577-Y1012 HydrophobicContact CD1-CD1 3.91Å; W662-Y1012 AromaticContact CZ2-CE1 3.76Å; W662-Y1012 HydrophobicContact CZ2-CE1 3.76Å; W662-Y1012 PolarHBondContact NE1-OH 2.95Å; M699-Y1012 HydrophobicContact CE-CD1 4.22Å; M699-Y1012 HydrophobicContact CE-CD2 3.83Å; M699-Y1012 HydrophobicContact CE-CE1 4.05Å; M699-Y1012 HydrophobicContact CE-CE2 3.69Å; M699-Y1012 HydrophobicContact CE-CG 4.1Å; F703-Y1012 WeakPolarHBondContact O-CE2 3.4Å; F703-Y1012 PolarHBondContact O-OH 3.08Å; I705-Y1012 HydrophobicContact CB-CD1 4.26Å; I705-Y1012 HydrophobicContact CB-CD2 3.78Å; I705-Y1012 HydrophobicContact CB-CE1 4.26Å; I705-Y1012 HydrophobicContact CB-CE2 3.73Å; I705-Y1012 HydrophobicContact CB-CG 4.05Å; I705-Y1012 HydrophobicContact CD1-CD2 3.83Å; I705-Y1012 HydrophobicContact CD1-CG 3.82Å; I705-Y1012 HydrophobicContact CG1-CD1 4.14Å; I705-Y1012 HydrophobicContact CG1-CD2 3.96Å; I705-Y1012 HydrophobicContact CG1-CE2 4.4Å; I705-Y1012 HydrophobicContact CG1-CG 3.8Å; I705-Y1012 HydrophobicContact CG2-CD1 4.48Å; I705-Y1012 HydrophobicContact CG2-CE1 4.17Å; I705-Y1012 HydrophobicContact CG2-CE2 4.33Å; N1008-Y1012 WeakPolarHBondContact O-CB 3.35Å; N1008-Y1012 PolarHBondContact O-N 3.17Å; K1010-Y1012 VanDerWaalsContact C-N 3.34Å; Y1012-M1014 VanDerWaalsContact C-N 3.35Å; Y1012-M1014 PolarHBondContact O-N 3.18Å; Y1012-E1015 PolarHBondContact O-N 3.11Å; Y1012-L1016 HydrophobicContact CE1-CB 4.38Å; Y1012-L1016 HydrophobicContact CE1-CD2 4.19Å; Y1012-L1016 WeakPolarHBondContact O-CB 3.1Å; Y1012-L1016 PolarHBondContact O-N 3.37Å
1013T98.8Very high98.3Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-61.3-43.5178.6-53.20000111.2I577 M580 T1009 K1010 Q1011 E1015 L1016 E1017I577-T1013 VanDerWaalsContact CD1-OG1 3.23Å; I577-T1013 WeakPolarHBondContact CD1-OG1 3.35Å; I577-T1013 HydrophobicContact CG2-CG2 4.2Å; M580-T1013 HydrophobicContact CB-CG2 4.01Å; T1009-T1013 WeakPolarHBondContact O-CB 3.42Å; T1009-T1013 PolarHBondContact O-N 3.4Å; T1009-T1013 PolarHBondContact O-OG1 3.36Å; K1010-T1013 PolarHBondContact O-N 3.38Å; Q1011-T1013 VanDerWaalsContact C-N 3.29Å; Q1011-T1013 PolarHBondContact O-N 3.34Å; T1013-E1015 VanDerWaalsContact C-N 3.32Å; T1013-E1015 PolarHBondContact O-N 3.33Å; T1013-L1016 PolarHBondContact O-N 3.07Å; T1013-E1017 HydrophobicContact CG2-CG 4.5Å; T1013-E1017 WeakPolarHBondContact O-CB 3.38Å; T1013-E1017 WeakPolarHBondContact O-CG 3.39Å; T1013-E1017 PolarHBondContact O-N 2.77Å
1014M98.7Very high98.5Very high104 Ų10431.4 Ų31.451%0.51215%0.148SC..Hα-helixtrans-64.9-34.8177.9-67.9171.458.500113K1010 Q1011 Y1012 R1018K1010-M1014 HydrophobicContact CG-SD 4.5Å; K1010-M1014 WeakPolarHBondContact O-CG 3.3Å; K1010-M1014 PolarHBondContact O-N 3.26Å; K1010-M1014 VanDerWaalsContact O-N 3.13Å; Q1011-M1014 PolarHBondContact O-N 2.9Å; Q1011-M1014 VanDerWaalsContact O-N 3.12Å; Y1012-M1014 VanDerWaalsContact C-N 3.35Å; Y1012-M1014 PolarHBondContact O-N 3.18Å; M1014-R1018 PolarHBondContact O-N 3.24Å; M1014-R1018 VanDerWaalsContact O-N 3.14Å
1015E98.3Very high98.5Very high29 Ų2936.8 Ų36.814%0.13617%0.172CC..Hα-helixtrans-70.5-41.7175.2-69.7170-176.700111.3M699 P700 H701 Q1011 Y1012 T1013 E1017 R1018 L1019M699-E1015 HydrophobicContact CE-CB 3.72Å; P700-E1015 HydrophobicContact CG-CB 3.98Å; P700-E1015 HydrophobicContact CG-CG 3.73Å; P700-E1015 VanDerWaalsContact CG-OE2 3.23Å; P700-E1015 WeakPolarHBondContact CG-OE2 3.46Å; H701-E1015 IonicContact CD2-OE1 2.8Å; H701-E1015 PolarHBondContact CD2-OE1 3.12Å; H701-E1015 IonicContact CD2-OE2 3.52Å; H701-E1015 IonicContact NE2-OE1 3.45Å; Q1011-E1015 HydrophobicContact CG-CG 4.48Å; Q1011-E1015 VanDerWaalsContact CG-OE1 3.27Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.38Å; Q1011-E1015 PolarHBondContact NE2-OE1 2.95Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.49Å; Q1011-E1015 PolarHBondContact O-N 3.04Å; Y1012-E1015 PolarHBondContact O-N 3.11Å; T1013-E1015 VanDerWaalsContact C-N 3.32Å; T1013-E1015 PolarHBondContact O-N 3.33Å; E1015-E1017 VanDerWaalsContact C-N 3.33Å; E1015-E1017 PolarHBondContact O-N 3.12Å; E1015-R1018 WeakPolarHBondContact O-CB 3.29Å; E1015-R1018 PolarHBondContact O-N 2.87Å; E1015-L1019 PolarHBondContact O-N 2.98Å
1016L98.6Very high98.5Very high0 Ų038 Ų380%018%0.175CC..Hα-helixtrans-62.6-41174.8-175.766.3000111.4I577 W662 I678 M699 Y1012 T1013 R1018 L1019 Y1020I577-L1016 HydrophobicContact CG2-CD2 4.24Å; W662-L1016 HydrophobicContact CH2-CD2 4.43Å; W662-L1016 HydrophobicContact CZ2-CD2 4.17Å; I678-L1016 HydrophobicContact CD1-CD1 3.88Å; I678-L1016 HydrophobicContact CG2-CD1 4.2Å; M699-L1016 HydrophobicContact CE-CB 4.1Å; M699-L1016 HydrophobicContact SD-CB 4.14Å; M699-L1016 HydrophobicContact SD-CD1 3.94Å; Y1012-L1016 HydrophobicContact CE1-CB 4.38Å; Y1012-L1016 HydrophobicContact CE1-CD2 4.19Å; Y1012-L1016 WeakPolarHBondContact O-CB 3.1Å; Y1012-L1016 PolarHBondContact O-N 3.37Å; T1013-L1016 PolarHBondContact O-N 3.07Å; L1016-R1018 PolarHBondContact O-N 2.95Å; L1016-L1019 WeakPolarHBondContact O-CB 3.44Å; L1016-L1019 PolarHBondContact O-N 3.09Å; L1016-Y1020 HydrophobicContact CD1-CE1 4.1Å; L1016-Y1020 HydrophobicContact CD1-CE2 4.15Å; L1016-Y1020 HydrophobicContact CD2-CE2 3.84Å; L1016-Y1020 HydrophobicContact CG-CD2 4.17Å; L1016-Y1020 HydrophobicContact CG-CE1 4.4Å; L1016-Y1020 HydrophobicContact CG-CE2 3.56Å; L1016-Y1020 WeakPolarHBondContact O-CD2 3.43Å; L1016-Y1020 PolarHBondContact O-N 3.39Å
1017E98.7Very high98.4Very high16 Ų1639.8 Ų39.88%0.07518%0.183CC..Hα-helixtrans-58.9-45173.1-78.3179159.900112.5H581 N582 F586 T1013 E1015 L1019 Y1020 L1021H581-E1017 WeakPolarHBondContact CA-OE1 3.48Å; H581-E1017 IonicContact CG-OE1 2.65Å; H581-E1017 VanDerWaalsContact ND1-CG 3.31Å; H581-E1017 WeakPolarHBondContact ND1-CG 3.36Å; H581-E1017 IonicContact ND1-OE1 2.63Å; H581-E1017 PolarHBondContact ND1-OE1 3.5Å; N582-E1017 PolarHBondContact N-OE1 2.99Å; F586-E1017 HydrophobicContact CD1-CG 4.38Å; F586-E1017 HydrophobicContact CD2-CB 4.39Å; F586-E1017 HydrophobicContact CD2-CG 3.75Å; F586-E1017 WeakPolarHBondContact CD2-OE1 3.45Å; F586-E1017 HydrophobicContact CE1-CB 4.17Å; F586-E1017 HydrophobicContact CE1-CG 4Å; F586-E1017 HydrophobicContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CD 3.47Å; F586-E1017 HydrophobicContact CE2-CG 3.35Å; F586-E1017 HydrophobicContact CG-CG 4.27Å; F586-E1017 HydrophobicContact CZ-CB 3.37Å; F586-E1017 HydrophobicContact CZ-CG 3.49Å; F586-E1017 VanDerWaalsContact CZ-CG 3.49Å; F586-E1017 WeakPolarHBondContact CZ-O 3.5Å; T1013-E1017 HydrophobicContact CG2-CG 4.5Å; T1013-E1017 WeakPolarHBondContact O-CB 3.38Å; T1013-E1017 WeakPolarHBondContact O-CG 3.39Å; T1013-E1017 PolarHBondContact O-N 2.77Å; E1015-E1017 VanDerWaalsContact C-N 3.33Å; E1015-E1017 PolarHBondContact O-N 3.12Å; E1017-L1019 VanDerWaalsContact C-N 3.3Å; E1017-L1019 PolarHBondContact O-N 3.35Å; E1017-Y1020 PolarHBondContact O-N 3.43Å; E1017-L1021 WeakPolarHBondContact O-CG 3.45Å; E1017-L1021 PolarHBondContact O-N 3.2Å
1018R98.3Very high98.4Very high118 Ų11841.7 Ų41.745%0.44520%0.2SC..Hα-helixtrans-60.5-43.8176-169.6-177.5-57.9-1711.8110.8M1014 E1015 L1016 Y1020 L1021 Q1022M1014-R1018 PolarHBondContact O-N 3.24Å; M1014-R1018 VanDerWaalsContact O-N 3.14Å; E1015-R1018 WeakPolarHBondContact O-CB 3.29Å; E1015-R1018 PolarHBondContact O-N 2.87Å; L1016-R1018 PolarHBondContact O-N 2.95Å; R1018-Y1020 VanDerWaalsContact C-N 3.34Å; R1018-Y1020 PolarHBondContact O-N 2.73Å; R1018-L1021 PolarHBondContact O-N 3.06Å; R1018-Q1022 WeakPolarHBondContact O-CG 3.48Å; R1018-Q1022 PolarHBondContact O-N 3.12Å
1019L98.4Very high98.3Very high3 Ų342 Ų422%0.01621%0.211CC..Hα-helixtrans-62.6-41.1177.4-172.862.6000111.8I678 A697 M699 E1015 L1016 E1017 Q1022 M1023 M1036I678-L1019 HydrophobicContact CG1-CD2 4.38Å; I678-L1019 HydrophobicContact CG2-CD2 3.96Å; A697-L1019 HydrophobicContact CB-CD1 4.1Å; A697-L1019 HydrophobicContact CB-CD2 4.05Å; A697-L1019 HydrophobicContact CB-CG 4.34Å; M699-L1019 HydrophobicContact CG-CD2 4.47Å; M699-L1019 HydrophobicContact SD-CD2 4.03Å; E1015-L1019 PolarHBondContact O-N 2.98Å; L1016-L1019 WeakPolarHBondContact O-CB 3.44Å; L1016-L1019 PolarHBondContact O-N 3.09Å; E1017-L1019 VanDerWaalsContact C-N 3.3Å; E1017-L1019 PolarHBondContact O-N 3.35Å; L1019-Q1022 WeakPolarHBondContact O-CB 3.48Å; L1019-Q1022 PolarHBondContact O-N 3Å; L1019-M1023 HydrophobicContact CD2-CE 4.32Å; L1019-M1023 HydrophobicContact CG-CE 4.1Å; L1019-M1023 WeakPolarHBondContact O-CG 3.49Å; L1019-M1023 PolarHBondContact O-N 3.13Å; L1019-M1036 HydrophobicContact CD1-CB 4.36Å
1020Y98.7Very high98.2Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-63.2-41.6174.2-72.3-27.8000113.3V558 Y560 F586 I635 V637 I678 L1016 E1017 R1018 Q1022 M1023 W1024V558-Y1020 HydrophobicContact CG1-CD2 4.42Å; V558-Y1020 HydrophobicContact CG1-CE2 3.86Å; V558-Y1020 HydrophobicContact CG2-CD2 3.98Å; V558-Y1020 HydrophobicContact CG2-CE2 4.24Å; Y560-Y1020 WeakPolarHBondContact CE1-OH 3.42Å; Y560-Y1020 PolarHBondContact OH-OH 3.4Å; F586-Y1020 HydrophobicContact CE1-CD2 4.26Å; I635-Y1020 HydrophobicContact CD1-CD1 3.71Å; I635-Y1020 HydrophobicContact CD1-CG 3.93Å; I635-Y1020 WeakPolarHBondContact CD1-O 3.23Å; I635-Y1020 HydrophobicContact CG2-CD1 4.14Å; I635-Y1020 HydrophobicContact CG2-CE1 4.09Å; V637-Y1020 HydrophobicContact CG2-CE1 4.26Å; V637-Y1020 WeakPolarHBondContact CG2-OH 3.45Å; I678-Y1020 HydrophobicContact CD1-CE1 3.66Å; L1016-Y1020 HydrophobicContact CD1-CE1 4.1Å; L1016-Y1020 HydrophobicContact CD1-CE2 4.15Å; L1016-Y1020 HydrophobicContact CD2-CE2 3.84Å; L1016-Y1020 HydrophobicContact CG-CD2 4.17Å; L1016-Y1020 HydrophobicContact CG-CE1 4.4Å; L1016-Y1020 HydrophobicContact CG-CE2 3.56Å; L1016-Y1020 WeakPolarHBondContact O-CD2 3.43Å; L1016-Y1020 PolarHBondContact O-N 3.39Å; E1017-Y1020 PolarHBondContact O-N 3.43Å; R1018-Y1020 VanDerWaalsContact C-N 3.34Å; R1018-Y1020 PolarHBondContact O-N 2.73Å; Y1020-Q1022 VanDerWaalsContact C-N 3.3Å; Y1020-Q1022 PolarHBondContact O-N 3.15Å; Y1020-M1023 HydrophobicContact CD1-SD 4.09Å; Y1020-M1023 PolarHBondContact O-N 3.02Å; Y1020-W1024 WeakPolarHBondContact O-CB 3.5Å; Y1020-W1024 PolarHBondContact O-N 3.17Å
1021L98.3Very high98.2Very high42 Ų4244.1 Ų44.122%0.2224%0.242CC..Hα-helixtrans-61.6-41.1175-71.7167.3000111.1F586 E1017 R1018 W1024 E1025F586-L1021 HydrophobicContact CZ-CD1 4.12Å; F586-L1021 HydrophobicContact CZ-CD2 4.31Å; F586-L1021 HydrophobicContact CZ-CG 3.88Å; E1017-L1021 WeakPolarHBondContact O-CG 3.45Å; E1017-L1021 PolarHBondContact O-N 3.2Å; R1018-L1021 PolarHBondContact O-N 3.06Å; L1021-W1024 PolarHBondContact O-N 3.08Å; L1021-E1025 WeakPolarHBondContact O-CB 3.17Å; L1021-E1025 VanDerWaalsContact O-CG 3.25Å; L1021-E1025 WeakPolarHBondContact O-CG 3.46Å; L1021-E1025 PolarHBondContact O-N 3.43Å
1022Q97.8Very high98.2Very high55 Ų5549.9 Ų49.926%0.25727%0.266SS..Hα-helixtrans-61.2-48175.2-67.8177.2-56.800112.1R1018 L1019 Y1020 W1024 E1025 H1026 M1036R1018-Q1022 WeakPolarHBondContact O-CG 3.48Å; R1018-Q1022 PolarHBondContact O-N 3.12Å; L1019-Q1022 WeakPolarHBondContact O-CB 3.48Å; L1019-Q1022 PolarHBondContact O-N 3Å; Y1020-Q1022 VanDerWaalsContact C-N 3.3Å; Y1020-Q1022 PolarHBondContact O-N 3.15Å; Q1022-W1024 VanDerWaalsContact C-N 3.27Å; Q1022-W1024 PolarHBondContact O-N 3.4Å; Q1022-E1025 PolarHBondContact O-N 3.09Å; Q1022-H1026 WeakPolarHBondContact O-CB 3.46Å; Q1022-H1026 PolarHBondContact O-N 2.82Å; Q1022-M1036 HydrophobicContact CB-CE 3.94Å; Q1022-M1036 HydrophobicContact CB-SD 3.86Å; Q1022-M1036 WeakPolarHBondContact O-CE 3.37Å
1023M98.5Very high98.2Very high0 Ų051.7 Ų51.70%028%0.279CS..Hα-helixtrans-54.6-46.5175.6-70178.1178.300111.1I635 I658 Y676 I678 A697 L1019 Y1020 Y1027 M1036I635-M1023 HydrophobicContact CD1-CB 4.14Å; I635-M1023 HydrophobicContact CD1-SD 4.39Å; I658-M1023 HydrophobicContact CD1-CB 4.2Å; I658-M1023 WeakPolarHBondContact CD1-O 3.39Å; I658-M1023 HydrophobicContact CG2-CB 4.48Å; I658-M1023 HydrophobicContact CG2-SD 4.42Å; Y676-M1023 HydrophobicContact CD1-CE 4.17Å; Y676-M1023 HydrophobicContact CD2-CE 4.27Å; Y676-M1023 HydrophobicContact CD2-CG 4.24Å; Y676-M1023 HydrophobicContact CD2-SD 4.15Å; Y676-M1023 HydrophobicContact CE2-CB 4.47Å; Y676-M1023 HydrophobicContact CE2-CG 4.15Å; Y676-M1023 HydrophobicContact CG-CE 3.83Å; Y676-M1023 HydrophobicContact CG-SD 4.32Å; I678-M1023 HydrophobicContact CD1-CE 4.38Å; I678-M1023 HydrophobicContact CG1-CE 3.96Å; A697-M1023 HydrophobicContact CB-CE 3.25Å; L1019-M1023 HydrophobicContact CD2-CE 4.32Å; L1019-M1023 HydrophobicContact CG-CE 4.1Å; L1019-M1023 WeakPolarHBondContact O-CG 3.49Å; L1019-M1023 PolarHBondContact O-N 3.13Å; Y1020-M1023 HydrophobicContact CD1-SD 4.09Å; Y1020-M1023 PolarHBondContact O-N 3.02Å; M1023-Y1027 PolarHBondContact O-N 3.15Å; M1023-Y1027 VanDerWaalsContact O-N 3.14Å; M1023-M1036 HydrophobicContact CB-SD 4.43Å; M1023-M1036 HydrophobicContact CG-SD 3.75Å
1024W98.5Very high98.1Very high13 Ų1355.5 Ų55.55%0.04930%0.299CS..Hα-helixtrans-67.6-48.3-179.6176.9-110.1000113P546 L549 L556 H634 P657 I658 Y1020 L1021 Q1022 H1026 Y1027 A1028P546-W1024 WeakPolarHBondContact O-CH2 3.36Å; L549-W1024 HydrophobicContact CD2-CD2 4.24Å; L549-W1024 VanDerWaalsContact CD2-CE2 3.47Å; L549-W1024 HydrophobicContact CD2-CH2 4.47Å; L549-W1024 HydrophobicContact CD2-CZ2 3.6Å; L549-W1024 HydrophobicContact CG-CZ2 4.14Å; L556-W1024 HydrophobicContact CD1-CB 3.8Å; L556-W1024 HydrophobicContact CD1-CD2 3.67Å; L556-W1024 HydrophobicContact CD1-CE3 4.07Å; L556-W1024 HydrophobicContact CD1-CG 3.51Å; L556-W1024 HydrophobicContact CD2-CB 4.14Å; H634-W1024 HydrophobicContact CB-CE3 4Å; H634-W1024 HydrophobicContact CB-CZ3 4Å; H634-W1024 AromaticContact CD2-CH2 3.48Å; H634-W1024 VanDerWaalsContact CD2-CH2 3.48Å; H634-W1024 WeakPolarHBondContact CD2-CH2 3.49Å; H634-W1024 AromaticContact CD2-CZ2 3.94Å; H634-W1024 AromaticContact CD2-CZ3 3.66Å; P657-W1024 HydrophobicContact CG-CZ3 4.13Å; I658-W1024 HydrophobicContact CD1-CE3 4.08Å; Y1020-W1024 WeakPolarHBondContact O-CB 3.5Å; Y1020-W1024 PolarHBondContact O-N 3.17Å; L1021-W1024 PolarHBondContact O-N 3.08Å; Q1022-W1024 VanDerWaalsContact C-N 3.27Å; Q1022-W1024 PolarHBondContact O-N 3.4Å; W1024-H1026 VanDerWaalsContact C-N 3.27Å; W1024-H1026 PolarHBondContact O-N 3.38Å; W1024-Y1027 HydrophobicContact CE3-CD1 4.05Å; W1024-Y1027 HydrophobicContact CH2-CD1 4.22Å; W1024-Y1027 HydrophobicContact CH2-CE1 4.38Å; W1024-Y1027 AromaticContact CZ3-CD1 3.61Å; W1024-Y1027 HydrophobicContact CZ3-CD1 3.61Å; W1024-Y1027 AromaticContact CZ3-CE1 3.97Å; W1024-Y1027 HydrophobicContact CZ3-CE1 3.97Å; W1024-Y1027 PolarHBondContact O-N 3.02Å; W1024-A1028 HydrophobicContact CZ2-CB 4.4Å; W1024-A1028 VanDerWaalsContact O-CB 3.27Å; W1024-A1028 WeakPolarHBondContact O-CB 3.36Å; W1024-A1028 PolarHBondContact O-N 3.29Å
1025E97.7Very high98.1Very high123 Ų12353.8 Ų53.858%0.57529%0.29SS*.Hα-helixtrans-58.2-41.7178.6-75.7170.8-178.800111.3L1021 Q1022 A1028 A1029L1021-E1025 WeakPolarHBondContact O-CB 3.17Å; L1021-E1025 VanDerWaalsContact O-CG 3.25Å; L1021-E1025 WeakPolarHBondContact O-CG 3.46Å; L1021-E1025 PolarHBondContact O-N 3.43Å; Q1022-E1025 PolarHBondContact O-N 3.09Å; E1025-A1028 PolarHBondContact O-N 3.38Å; E1025-A1029 WeakPolarHBondContact O-CB 3.3Å; E1025-A1029 PolarHBondContact O-N 3.39Å
1026H97.9Very high98Very high51 Ų5153.9 Ų53.924%0.23629%0.291CS..Hα-helixtrans-63.2-44.8176.7-170.570.9000112.1Q1022 W1024 N1031 K1032 M1036Q1022-H1026 WeakPolarHBondContact O-CB 3.46Å; Q1022-H1026 PolarHBondContact O-N 2.82Å; W1024-H1026 VanDerWaalsContact C-N 3.27Å; W1024-H1026 PolarHBondContact O-N 3.38Å; H1026-N1031 WeakPolarHBondContact CE1-CB 3.34Å; H1026-N1031 PolarHBondContact ND1-ND2 3.01Å; H1026-N1031 VanDerWaalsContact NE2-CB 3.34Å; H1026-N1031 WeakPolarHBondContact NE2-CB 3.32Å; H1026-N1031 VanDerWaalsContact O-CB 3.29Å; H1026-N1031 WeakPolarHBondContact O-CB 3.47Å; H1026-N1031 PolarHBondContact O-N 2.91Å; H1026-N1031 PolarHBondContact O-ND2 3.5Å; H1026-K1032 PolarHBondContact CD2-O 3.28Å; H1026-K1032 PolarHBondContact NE2-O 3.35Å; H1026-M1036 HydrophobicContact CB-CE 3.66Å
1027Y98.3Very high97.4Very high40 Ų4057.3 Ų57.316%0.15731%0.308CS..Hα-helixtrans-66.6-44.1175.4175.2-92.6000112.7K547 P657 I658 M1023 W1024 A1029 G1030K547-Y1027 HydrophobicContact CD-CE1 4.18Å; K547-Y1027 PolarHBondContact NZ-OH 3.4Å; P657-Y1027 HydrophobicContact CB-CD1 4.21Å; P657-Y1027 HydrophobicContact CB-CD2 4.26Å; P657-Y1027 HydrophobicContact CB-CE1 3.59Å; P657-Y1027 HydrophobicContact CB-CE2 3.61Å; P657-Y1027 WeakPolarHBondContact CB-OH 3.42Å; P657-Y1027 HydrophobicContact CG-CE1 4.18Å; I658-Y1027 HydrophobicContact CD1-CG 4.2Å; I658-Y1027 HydrophobicContact CG1-CD2 4.28Å; I658-Y1027 HydrophobicContact CG1-CG 4.14Å; M1023-Y1027 PolarHBondContact O-N 3.15Å; M1023-Y1027 VanDerWaalsContact O-N 3.14Å; W1024-Y1027 HydrophobicContact CE3-CD1 4.05Å; W1024-Y1027 HydrophobicContact CH2-CD1 4.22Å; W1024-Y1027 HydrophobicContact CH2-CE1 4.38Å; W1024-Y1027 AromaticContact CZ3-CD1 3.61Å; W1024-Y1027 HydrophobicContact CZ3-CD1 3.61Å; W1024-Y1027 AromaticContact CZ3-CE1 3.97Å; W1024-Y1027 HydrophobicContact CZ3-CE1 3.97Å; W1024-Y1027 PolarHBondContact O-N 3.02Å; Y1027-A1029 PolarHBondContact O-N 3.02Å; Y1027-G1030 WeakPolarHBondContact O-CA 3.48Å; Y1027-G1030 PolarHBondContact O-N 3.14Å
1028A97.3Very high96.1Very high48 Ų4865.4 Ų65.440%0.39734%0.343SS..Hα-helixtrans-64.1-28.6-179.300000111.9W1024 E1025 G1030W1024-A1028 HydrophobicContact CZ2-CB 4.4Å; W1024-A1028 VanDerWaalsContact O-CB 3.27Å; W1024-A1028 WeakPolarHBondContact O-CB 3.36Å; W1024-A1028 PolarHBondContact O-N 3.29Å; E1025-A1028 PolarHBondContact O-N 3.38Å; A1028-G1030 PolarHBondContact O-N 3.43Å
1029A97.7Very high94.1Very high72 Ų7265.5 Ų65.560%0.59536%0.359SS*.THydrogen-bonded Turntrans-72.5-1169.400000114E1025 Y1027E1025-A1029 WeakPolarHBondContact O-CB 3.3Å; E1025-A1029 PolarHBondContact O-N 3.39Å; Y1027-A1029 PolarHBondContact O-N 3.02Å
1030G96.6Very high91.7Very high67 Ų6768.3 Ų68.369%0.69138%0.376SS*.THydrogen-bonded Turntrans84.911.1178.900000114.6Y1027 A1028Y1027-G1030 WeakPolarHBondContact O-CA 3.48Å; Y1027-G1030 PolarHBondContact O-N 3.14Å; A1028-G1030 PolarHBondContact O-N 3.43Å
1031N98.2Very high88.7Confident78 Ų7876.4 Ų76.442%0.41741%0.414SS..PPolyproline II helixtrans-83.8152.5-178.2-55.8-42.1000111.9H1026H1026-N1031 WeakPolarHBondContact CE1-CB 3.34Å; H1026-N1031 PolarHBondContact ND1-ND2 3.01Å; H1026-N1031 VanDerWaalsContact NE2-CB 3.34Å; H1026-N1031 WeakPolarHBondContact NE2-CB 3.32Å; H1026-N1031 VanDerWaalsContact O-CB 3.29Å; H1026-N1031 WeakPolarHBondContact O-CB 3.47Å; H1026-N1031 PolarHBondContact O-N 2.91Å; H1026-N1031 PolarHBondContact O-ND2 3.5Å
1032K97.8Very high85.6Confident181 Ų18179.6 Ų79.679%0.78744%0.435SS*.PPolyproline II helixtrans-76.7155.6168.5-70.3-177.5178.3179.60110.6H1026 D1034H1026-K1032 PolarHBondContact CD2-O 3.28Å; H1026-K1032 PolarHBondContact NE2-O 3.35Å; K1032-D1034 PolarHBondContact O-N 2.93Å
1033P98.3Very high82.3Confident45 Ų4582.2 Ų82.229%0.29246%0.455SS..PPolyproline II helixtrans-50.8130.9174.8-2734.6000112.2D675 Y676 K695D675-P1033 HydrophobicContact CB-CB 4.01Å; D675-P1033 HydrophobicContact CB-CG 3.64Å; Y676-P1033 HydrophobicContact CE2-CB 3.88Å; Y676-P1033 HydrophobicContact CE2-CG 4.37Å; Y676-P1033 WeakPolarHBondContact OH-CA 3.48Å; K695-P1033 WeakPolarHBondContact CE-O 3.4Å; K695-P1033 HydrophobicContact CG-CB 4.07Å
1034D98Very high79.1Confident81 Ų8191.4 Ų91.443%0.43350%0.498SS..  trans-144163.6173.7-158.313.3000111.5Y676 K695 K1032 M1036Y676-D1034 WeakPolarHBondContact CE1-O 3.28Å; Y676-D1034 PolarHBondContact OH-N 2.8Å; Y676-D1034 PolarHBondContact OH-O 3.47Å; K695-D1034 IonicContact NZ-OD1 3.88Å; K695-D1034 PolarHBondContact NZ-OD1 3.15Å; K1032-D1034 PolarHBondContact O-N 2.93Å; D1034-M1036 PolarHBondContact O-N 2.86Å
1035H98Very high75.7Confident68 Ų6895.7 Ų95.732%0.31553%0.53SS..  trans-57.9129.5-173.8-62.9-79000112.7K695 L696 I1037K695-H1035 PolarHBondContact NZ-NE2 3.33Å; L696-H1035 PolarHBondContact N-ND1 2.93Å; H1035-I1037 HydrophobicContact CB-CG1 4.49Å; H1035-I1037 HydrophobicContact CB-CG2 4.14Å
1036M96.5Very high72.5Confident30 Ų3097.9 Ų97.915%0.14857%0.569CS.*BIsolated β-bridgetrans-10975.3176-68.1-173.9157.200109.8Y676 L696 A697 Y698 L1019 Q1022 M1023 H1026 D1034Y676-M1036 HydrophobicContact CE1-CG 4.26Å; Y676-M1036 HydrophobicContact CE1-SD 4.25Å; L696-M1036 PolarHBondContact O-N 3.39Å; A697-M1036 HydrophobicContact CB-CB 4.47Å; Y698-M1036 PolarHBondContact N-O 3.02Å; L1019-M1036 HydrophobicContact CD1-CB 4.36Å; Q1022-M1036 HydrophobicContact CB-CE 3.94Å; Q1022-M1036 HydrophobicContact CB-SD 3.86Å; Q1022-M1036 WeakPolarHBondContact O-CE 3.37Å; M1023-M1036 HydrophobicContact CB-SD 4.43Å; M1023-M1036 HydrophobicContact CG-SD 3.75Å; H1026-M1036 HydrophobicContact CB-CE 3.66Å; D1034-M1036 PolarHBondContact O-N 2.86Å
1037I86.9Confident71.2Confident72 Ų72100.3 Ų100.337%0.36959%0.586SS.*  trans-113.1-5.4-170.558.8173000114.2L696 Y698 H1035L696-I1037 HydrophobicContact CB-CG2 4.2Å; Y698-I1037 HydrophobicContact CD1-CG2 4.24Å; Y698-I1037 HydrophobicContact CD2-CB 3.8Å; Y698-I1037 HydrophobicContact CD2-CG2 3.76Å; Y698-I1037 HydrophobicContact CE1-CG2 4.03Å; Y698-I1037 HydrophobicContact CE2-CB 3.7Å; Y698-I1037 HydrophobicContact CE2-CG2 3.48Å; Y698-I1037 VanDerWaalsContact CE2-CG2 3.48Å; Y698-I1037 HydrophobicContact CG-CB 4.5Å; Y698-I1037 HydrophobicContact CG-CG2 4.12Å; H1035-I1037 HydrophobicContact CB-CG1 4.49Å; H1035-I1037 HydrophobicContact CB-CG2 4.14Å
1038K70.9Confident69.8Low187 Ų187103.4 Ų103.481%0.81361%0.609SS**SBendtrans-79.7134.2-179.8-75.2-171.5178.8-178.10110.5V1040K1038-V1040 PolarHBondContact O-N 3.28Å
1039P56.2Low68.2Low119 Ų119106.5 Ų106.577%0.77362%0.62SS**  trans-58.6125.8163.8-11.223.9000107.8E1041P1039-E1041 PolarHBondContact O-N 3.09Å; P1039-E1041 VanDerWaalsContact O-N 3.09Å
1040V46.8Very low66.5Low62 Ų62108.5 Ų108.538%0.37662%0.622SS.*  trans-66.8111.8174.3-173.30000107K1038 V1042K1038-V1040 PolarHBondContact O-N 3.28Å; V1040-V1042 PolarHBondContact O-N 2.62Å
1041E37.2Very low64.6Low170 Ų170111.1 Ų111.179%0.79462%0.617SS**  trans-53.5117.6164.2-76.5-176.6169.500106.8P1039 T1043P1039-E1041 PolarHBondContact O-N 3.09Å; P1039-E1041 VanDerWaalsContact O-N 3.09Å; E1041-T1043 PolarHBondContact O-N 2.82Å
1042V33Very low62.4Low110 Ų110113.3 Ų113.367%0.66763%0.631SS**  trans-64.190.7175.5-1780000106.6V1040 E1044V1040-V1042 PolarHBondContact O-N 2.62Å; V1042-E1044 HydrophobicContact CG1-CG 4.35Å; V1042-E1044 PolarHBondContact O-N 3.24Å
1043T28.7Very low59.8Low109 Ų109108.5 Ų108.567%0.66962%0.62SS**  trans-79102.7161.5310000105.4E1041 S1045E1041-T1043 PolarHBondContact O-N 2.82Å; T1043-S1045 PolarHBondContact O-N 3.38Å
1044E30.2Very low56.9Low193 Ų193113.4 Ų113.490%0.90265%0.645SS**  trans-61.479.9163.2-73.1-177.5157.700108.4V1042V1042-E1044 HydrophobicContact CG1-CG 4.35Å; V1042-E1044 PolarHBondContact O-N 3.24Å
1045S27.3Very low53.5Low103 Ų103116.1 Ų116.172%0.7266%0.663SS**  trans-149.477.1164.365.90000109.4T1043T1043-S1045 PolarHBondContact O-N 3.38Å
1046A29.9Very low49.4Very low170 Ų170120.5 Ų120.5100%1.40569%0.694SS**  trans-144.60152.800000108

Retrieved 1,046 of 1,046 residues in 5635.6 ms (Link to these results)