Q99NF7_MOUSE Loading...

Protein phosphatase 1B

Enzyme with a broad specificity. Dephosphorylates PRKAA1 and PRKAA2. Inhibits TBK1-mediated antiviral signaling by dephosphorylating it at 'Ser-172'. Plays an important role in the termination of TNF-alpha-mediated NF-kappa-B activation through dephosphorylating and inactivating IKBKB/IKKB.

AlphaFold DB , UniProt , Accession Q99NF7, Species MOUSE (Mus musculus, Mouse), Gene Ppm1b, Length 477 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M43.9Very low86.3Confident228 Ų228106.1 Ų106.1100%1.12358%0.577SS**  0111.30-73.4-173.3-147.400106.4
2G56.5Low87.3Confident65 Ų65101 Ų10167%0.6755%0.545SS*.  trans-67.2174.8174.900000111.5
3A76Confident88.2Confident74 Ų74100.8 Ų100.861%0.61254%0.538SS*.PPolyproline II helixtrans-63.6144.2172.200000110.2V34A3-V34 HydrophobicContact CB-CG2 3.94Å; A3-V34 VanDerWaalsContact O-CG2 3.31Å; A3-V34 WeakPolarHBondContact O-CG2 3.41Å
4F93.2Very high89Confident79 Ų7997.8 Ų97.835%0.34652%0.522SS..EExtended strand (participates in β ladder)trans-98152.1166.4-67.1-66.2000108.7W32 R285F4-W32 WeakPolarHBondContact CA-O 2.98Å; F4-W32 HydrophobicContact CD1-CB 3.95Å; F4-R285 HydrophobicContact CD1-CB 4.4Å; F4-R285 HydrophobicContact CE1-CB 3.75Å; F4-R285 HydrophobicContact CZ-CB 4.22Å
5L95.4Very high89.6Confident45 Ų4593.5 Ų93.524%0.23651%0.505CS..EExtended strand (participates in β ladder)trans-68.7159.6168.8-63.3173.3000111.3K7 K9 W32 R33 V34L5-K7 VanDerWaalsContact C-N 3.33Å; L5-K7 WeakPolarHBondContact CB-O 3.32Å; L5-K9 HydrophobicContact CD1-CD 4.39Å; L5-K9 HydrophobicContact CD1-CG 3.85Å; L5-W32 PolarHBondContact N-O 3.5Å; L5-R33 VanDerWaalsContact CD1-O 3.27Å; L5-R33 WeakPolarHBondContact CD1-O 3.27Å; L5-V34 HydrophobicContact CD2-CB 4.5Å; L5-V34 HydrophobicContact CD2-CG2 4.02Å; L5-V34 HydrophobicContact CG-CG2 4.36Å
6D95.3Very high90.2Very high166 Ų16695.6 Ų95.689%0.88851%0.511SS*.EExtended strand (participates in β ladder)trans-68.6-33.2173.3-65-38.8000112.3
7K95.9Very high90.7Very high161 Ų16191.1 Ų91.170%0.749%0.492SS*.EExtended strand (participates in β ladder)trans-135145.9171.9-67.9-175.2-179.4-177.90109.3L5L5-K7 VanDerWaalsContact C-N 3.33Å; L5-K7 WeakPolarHBondContact CB-O 3.32Å
8P97.8Very high91.1Very high34 Ų3490.1 Ų90.122%0.22150%0.498CS..EExtended strand (participates in β ladder)trans-67.9142.7177.629.2-32.7000110.3T10 G31 W32 L280P8-T10 HydrophobicContact CB-CG2 4.38Å; P8-T10 HydrophobicContact CG-CG2 4.17Å; P8-T10 PolarHBondContact O-N 3.12Å; P8-G31 CarbonylContact C-O 3.48Å; P8-G31 WeakPolarHBondContact CA-O 3.43Å; P8-W32 HydrophobicContact CB-CD2 4Å; P8-W32 HydrophobicContact CB-CG 4.09Å; P8-W32 HydrophobicContact CG-CD2 4.37Å; P8-W32 HydrophobicContact CG-CZ2 4.01Å; P8-L280 HydrophobicContact CB-CD1 4.15Å; P8-L280 HydrophobicContact CB-CD2 4.49Å; P8-L280 HydrophobicContact CG-CD2 4.38Å
9K98.4Very high91.5Very high104 Ų10486.8 Ų86.845%0.45249%0.487SS..EExtended strand (participates in β ladder)trans-80.2110165.5-73.5-170.9-163.3166.50108.8L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CD 4.39Å; L5-K9 HydrophobicContact CD1-CG 3.85Å; K9-M29 WeakPolarHBondContact O-CG 3.46Å; K9-Q30 HydrophobicContact CB-CB 4.18Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.07Å; K9-G31 PolarHBondContact N-O 3.24Å; K9-G31 PolarHBondContact O-N 3.19Å
10T98.3Very high91.8Very high76 Ų7685.2 Ų85.247%0.46648%0.477SS..  trans-97.23.5-174.253.50000114.3P8 K12 M29 L280P8-T10 HydrophobicContact CB-CG2 4.38Å; P8-T10 HydrophobicContact CG-CG2 4.17Å; P8-T10 PolarHBondContact O-N 3.12Å; T10-K12 PolarHBondContact O-NZ 3.44Å; T10-M29 HydrophobicContact CG2-SD 4.47Å; T10-L280 HydrophobicContact CG2-CD2 3.86Å
11E98.6Very high92.1Very high135 Ų13584 Ų8463%0.63148%0.484SS*.  trans-56136.8172.8-174.5177.4173.200110.7H13 M29E11-H13 IonicContact OE1-CE1 3.94Å; E11-M29 WeakPolarHBondContact O-CG 3.33Å
12K98.6Very high94.7Very high45 Ų4573.3 Ų73.320%0.19643%0.432CS..  trans-107.6130.1-178.7-57.7-61-170.3-60.50109.8T10 M29 N273 V276 D277T10-K12 PolarHBondContact O-NZ 3.44Å; K12-M29 HydrophobicContact CD-CB 4.05Å; K12-M29 HydrophobicContact CD-CG 4.28Å; K12-M29 HydrophobicContact CD-SD 4.07Å; K12-M29 VanDerWaalsContact CE-SD 3.57Å; K12-M29 PolarHBondContact NZ-SD 3.21Å; K12-N273 WeakPolarHBondContact CB-OD1 3.04Å; K12-N273 VanDerWaalsContact CG-OD1 3.28Å; K12-N273 WeakPolarHBondContact CG-OD1 3.45Å; K12-V276 HydrophobicContact CD-CG1 4.34Å; K12-D277 WeakPolarHBondContact CE-OD1 3.47Å; K12-D277 IonicContact NZ-OD1 3.4Å; K12-D277 PolarHBondContact NZ-OD1 3Å; K12-D277 IonicContact NZ-OD2 3.58Å; K12-D277 PolarHBondContact NZ-OD2 2.69Å
13H98.8Very high96.7Very high99 Ų9975.4 Ų75.446%0.45842%0.419SS..EExtended strand (participates in β ladder)trans-100.8110.3165.7-60.2-73.7000108.6E11 S27 S28E11-H13 IonicContact OE1-CE1 3.94Å; H13-S27 CarbonylContact O-C 3.5Å; H13-S27 WeakPolarHBondContact O-CA 3.47Å; H13-S28 PolarHBondContact N-O 3.42Å; H13-S28 PolarHBondContact O-N 3.42Å
14N98.9Very high97.8Very high58 Ų5873.3 Ų73.331%0.3140%0.396SS..EExtended strand (participates in β ladder)trans-111.3151.1-174.8-65-42.4000111.8L26 S27 E269 N273N14-L26 WeakPolarHBondContact CA-O 3.29Å; N14-L26 PolarHBondContact OD1-O 3.47Å; N14-S27 WeakPolarHBondContact OD1-CA 3.48Å; N14-S27 VanDerWaalsContact OD1-CB 3.26Å; N14-S27 WeakPolarHBondContact OD1-CB 3.46Å; N14-E269 HydrophobicContact CB-CB 4.14Å; N14-E269 HydrophobicContact CB-CG 4.03Å; N14-N273 PolarHBondContact ND2-ND2 3.4Å; N14-N273 VanDerWaalsContact ND2-ND2 3.2Å; N14-N273 PolarHBondContact ND2-OD1 3.19Å; N14-N273 PolarHBondContact OD1-OD1 3.33Å
15A98.7Very high98.1Very high33 Ų3369.5 Ų69.527%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-150.2155.9164.200000109.8G25 L26 E269A15-G25 CarbonylContact O-C 3.57Å; A15-G25 WeakPolarHBondContact O-CA 3.43Å; A15-L26 HydrophobicContact CB-CD1 4Å; A15-L26 HydrophobicContact CB-CD2 4.11Å; A15-L26 HydrophobicContact CB-CG 3.93Å; A15-L26 PolarHBondContact N-O 2.85Å; A15-L26 PolarHBondContact O-N 3.18Å; A15-E269 VanDerWaalsContact CA-OE1 3.27Å; A15-E269 WeakPolarHBondContact CA-OE1 3.35Å; A15-E269 PolarHBondContact N-OE1 3.36Å
16H98.8Very high98.3Very high128 Ų12867.5 Ų67.559%0.59337%0.368SS*.EExtended strand (participates in β ladder)trans-146.2166.9174.866.5-88000110.8Y24 E269H16-Y24 VanDerWaalsContact C-CZ 3.45Å; H16-Y24 VanDerWaalsContact CA-O 3.23Å; H16-Y24 WeakPolarHBondContact CA-O 3.5Å; H16-Y24 VanDerWaalsContact CB-O 3.24Å; H16-Y24 WeakPolarHBondContact CB-O 3.25Å; H16-Y24 PolarHBondContact O-OH 2.98Å; H16-E269 HydrophobicContact CB-CG 3.88Å; H16-E269 IonicContact CE1-OE1 3.85Å; H16-E269 IonicContact CG-OE1 2.64Å; H16-E269 PolarHBondContact N-OE1 3.34Å; H16-E269 VanDerWaalsContact ND1-CD 3.3Å; H16-E269 IonicContact ND1-OE1 3.66Å; H16-E269 PolarHBondContact ND1-OE1 3.41Å; H16-E269 IonicContact ND1-OE2 3.57Å
17G98.6Very high98.4Very high19 Ų1959.6 Ų59.620%0.19633%0.326CS..EExtended strand (participates in β ladder)trans-174.4175.817400000112.3R23 Y24G17-R23 CarbonylContact O-C 3.32Å; G17-R23 WeakPolarHBondContact O-CA 3.48Å; G17-Y24 VanDerWaalsContact N-CE1 3.34Å; G17-Y24 PolarHBondContact N-O 3.41Å; G17-Y24 VanDerWaalsContact N-O 3.12Å; G17-Y24 WeakPolarHBondContact O-CD1 3.22Å; G17-Y24 PolarHBondContact O-N 3.48Å
18A98.7Very high98.6Very high72 Ų7252.4 Ų52.460%0.59530%0.296SS*.EExtended strand (participates in β ladder)trans-151.6153.8179.400000111.2L22 R23A18-L22 VanDerWaalsContact CA-O 3.24Å; A18-L22 WeakPolarHBondContact CA-O 3.31Å; A18-R23 HydrophobicContact CB-CG 4.04Å
19G98.4Very high98.6Very high28 Ų2850.8 Ų50.829%0.28929%0.286SS..EExtended strand (participates in β ladder)trans155166178.600000110.5G21 L22 V44G19-G21 PolarHBondContact O-N 3.37Å; G19-L22 PolarHBondContact N-O 3.08Å; G19-L22 WeakPolarHBondContact O-CA 3.28Å; G19-L22 WeakPolarHBondContact O-CB 3.43Å; G19-L22 PolarHBondContact O-N 3.42Å; G19-V44 VanDerWaalsContact CA-CG1 3.49Å; G19-V44 WeakPolarHBondContact O-CG1 3.44Å
20N98Very high98.7Very high55 Ų5547 Ų4729%0.29427%0.27SS..THydrogen-bonded Turntrans53.627.7-178.5-63-18.5000114.6L22 V44 G45 D51 W53 S54N20-L22 VanDerWaalsContact C-N 3.25Å; N20-L22 PolarHBondContact O-N 3.26Å; N20-V44 HydrophobicContact CB-CG1 4.18Å; N20-G45 PolarHBondContact ND2-N 3.15Å; N20-D51 PolarHBondContact ND2-O 3.39Å; N20-D51 PolarHBondContact OD1-O 3Å; N20-W53 PolarHBondContact ND2-O 2.91Å; N20-S54 PolarHBondContact ND2-OG 3.42Å
21G97.8Very high98.7Very high60 Ų6043.4 Ų43.462%0.61925%0.247SC*.THydrogen-bonded Turntrans73.713.3-175.300000114.5G19G19-G21 PolarHBondContact O-N 3.37Å
22L98.8Very high98.7Very high4 Ų440 Ų402%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-112.6151.9179.1-50.7178.8000110.5A18 G19 N20 F56 V139 V293 C294 F295A18-L22 VanDerWaalsContact CA-O 3.24Å; A18-L22 WeakPolarHBondContact CA-O 3.31Å; G19-L22 PolarHBondContact N-O 3.08Å; G19-L22 WeakPolarHBondContact O-CA 3.28Å; G19-L22 WeakPolarHBondContact O-CB 3.43Å; G19-L22 PolarHBondContact O-N 3.42Å; N20-L22 VanDerWaalsContact C-N 3.25Å; N20-L22 PolarHBondContact O-N 3.26Å; L22-F56 HydrophobicContact CD1-CE2 4.16Å; L22-V139 HydrophobicContact CD1-CB 4.31Å; L22-V139 HydrophobicContact CD1-CG1 4.17Å; L22-V293 HydrophobicContact CB-CG1 4.45Å; L22-V293 HydrophobicContact CD1-CG1 4.38Å; L22-C294 WeakPolarHBondContact CA-O 3.45Å; L22-F295 HydrophobicContact CD2-CD1 3.43Å; L22-F295 VanDerWaalsContact CD2-CD1 3.43Å; L22-F295 HydrophobicContact CD2-CE1 3.49Å; L22-F295 VanDerWaalsContact CD2-CE1 3.49Å; L22-F295 HydrophobicContact CD2-CG 4.24Å; L22-F295 HydrophobicContact CD2-CZ 4.32Å
23R98.8Very high98.6Very high108 Ų10841.8 Ų41.841%0.40824%0.235SC..EExtended strand (participates in β ladder)trans-124.7145.8162-65.8174.461.9-150.1-2.5107.8G17 A18 D266 L268 V293 C294G17-R23 CarbonylContact O-C 3.32Å; G17-R23 WeakPolarHBondContact O-CA 3.48Å; A18-R23 HydrophobicContact CB-CG 4.04Å; R23-D266 PolarHBondContact NH2-O 2.99Å; R23-L268 HydrophobicContact CB-CD1 3.72Å; R23-V293 CarbonylContact O-C 3.59Å; R23-C294 PolarHBondContact N-O 3.28Å; R23-C294 PolarHBondContact O-N 3.4Å
24Y98.9Very high98.6Very high30 Ų3039.8 Ų39.812%0.11823%0.229CC..EExtended strand (participates in β ladder)trans-136.6153.8171.676.2-88000111.8H16 G17 L26 A42 V44 F56 L268 L292H16-Y24 VanDerWaalsContact C-CZ 3.45Å; H16-Y24 VanDerWaalsContact CA-O 3.23Å; H16-Y24 WeakPolarHBondContact CA-O 3.5Å; H16-Y24 VanDerWaalsContact CB-O 3.24Å; H16-Y24 WeakPolarHBondContact CB-O 3.25Å; H16-Y24 PolarHBondContact O-OH 2.98Å; G17-Y24 VanDerWaalsContact N-CE1 3.34Å; G17-Y24 PolarHBondContact N-O 3.41Å; G17-Y24 VanDerWaalsContact N-O 3.12Å; G17-Y24 WeakPolarHBondContact O-CD1 3.22Å; G17-Y24 PolarHBondContact O-N 3.48Å; Y24-L26 HydrophobicContact CD2-CD2 4.44Å; Y24-L26 HydrophobicContact CE2-CD2 4.14Å; Y24-A42 HydrophobicContact CD2-CB 4.11Å; Y24-A42 HydrophobicContact CE2-CB 3.56Å; Y24-V44 HydrophobicContact CD1-CG2 3.99Å; Y24-V44 HydrophobicContact CE1-CG2 3.92Å; Y24-F56 AromaticContact CD1-CE1 3.49Å; Y24-F56 HydrophobicContact CD1-CE1 3.49Å; Y24-F56 VanDerWaalsContact CD1-CE1 3.49Å; Y24-F56 AromaticContact CD1-CZ 3.91Å; Y24-F56 HydrophobicContact CD1-CZ 3.91Å; Y24-F56 HydrophobicContact CD2-CE1 4.12Å; Y24-F56 HydrophobicContact CE1-CE1 4.03Å; Y24-F56 HydrophobicContact CG-CD1 4.35Å; Y24-F56 AromaticContact CG-CE1 3.52Å; Y24-F56 HydrophobicContact CG-CE1 3.52Å; Y24-F56 HydrophobicContact CG-CZ 4.2Å; Y24-L268 VanDerWaalsContact C-CD1 3.49Å; Y24-L292 CarbonylContact C-O 3.49Å; Y24-L292 WeakPolarHBondContact CA-O 3.35Å; Y24-L292 WeakPolarHBondContact CB-O 3.33Å
25G98.9Very high98.5Very high0 Ų042.9 Ų42.90%024%0.241CC..EExtended strand (participates in β ladder)trans-133.5155162.700000108.7A15 C272 L292A15-G25 CarbonylContact O-C 3.57Å; A15-G25 WeakPolarHBondContact O-CA 3.43Å; G25-C272 PolarHBondContact O-SG 3.45Å; G25-C272 VanDerWaalsContact O-SG 3.4Å; G25-L292 PolarHBondContact N-O 3.21Å; G25-L292 PolarHBondContact O-N 3.42Å
26L98.9Very high98.5Very high2 Ų243.5 Ų43.51%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-144.2155.8173.665.985000110.6N14 A15 Y24 H40 A42 V290 V291N14-L26 WeakPolarHBondContact CA-O 3.29Å; N14-L26 PolarHBondContact OD1-O 3.47Å; A15-L26 HydrophobicContact CB-CD1 4Å; A15-L26 HydrophobicContact CB-CD2 4.11Å; A15-L26 HydrophobicContact CB-CG 3.93Å; A15-L26 PolarHBondContact N-O 2.85Å; A15-L26 PolarHBondContact O-N 3.18Å; Y24-L26 HydrophobicContact CD2-CD2 4.44Å; Y24-L26 HydrophobicContact CE2-CD2 4.14Å; L26-H40 WeakPolarHBondContact CD1-NE2 3.34Å; L26-H40 VanDerWaalsContact CD2-CD2 3.45Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.33Å; L26-A42 HydrophobicContact CD2-CB 3.88Å; L26-V290 WeakPolarHBondContact CA-O 3.47Å; L26-V290 VanDerWaalsContact CB-O 3.29Å; L26-V290 WeakPolarHBondContact CB-O 3.4Å; L26-V291 HydrophobicContact CB-CB 4.3Å; L26-V291 HydrophobicContact CB-CG1 4.42Å; L26-V291 HydrophobicContact CB-CG2 3.86Å; L26-V291 HydrophobicContact CD2-CG2 4.31Å
27S98.9Very high98.5Very high1 Ų138.9 Ų38.91%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-140.5136.4172.1169.10000108.8H13 N14 N273 S289 V290H13-S27 CarbonylContact O-C 3.5Å; H13-S27 WeakPolarHBondContact O-CA 3.47Å; N14-S27 WeakPolarHBondContact OD1-CA 3.48Å; N14-S27 VanDerWaalsContact OD1-CB 3.26Å; N14-S27 WeakPolarHBondContact OD1-CB 3.46Å; S27-N273 PolarHBondContact OG-OD1 2.7Å; S27-S289 WeakPolarHBondContact O-CA 3.3Å; S27-V290 PolarHBondContact N-O 3.12Å; S27-V290 PolarHBondContact O-N 3Å
28S98.9Very high98.5Very high9 Ų938.6 Ų38.66%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-124147162.672.40000112.2H13 M288 S289H13-S28 PolarHBondContact N-O 3.42Å; H13-S28 PolarHBondContact O-N 3.42Å; S28-M288 CarbonylContact C-O 3.53Å; S28-M288 VanDerWaalsContact CA-O 3.24Å; S28-M288 WeakPolarHBondContact CA-O 3.37Å; S28-S289 VanDerWaalsContact CB-OG 3.25Å; S28-S289 WeakPolarHBondContact CB-OG 3.25Å
29M98.9Very high98.5Very high0 Ų035.5 Ų35.50%019%0.187CC..EExtended strand (participates in β ladder)trans-147.4134.2-177-175.3179.976.500110.9K9 T10 E11 K12 V276 L280 M288K9-M29 WeakPolarHBondContact O-CG 3.46Å; T10-M29 HydrophobicContact CG2-SD 4.47Å; E11-M29 WeakPolarHBondContact O-CG 3.33Å; K12-M29 HydrophobicContact CD-CB 4.05Å; K12-M29 HydrophobicContact CD-CG 4.28Å; K12-M29 HydrophobicContact CD-SD 4.07Å; K12-M29 VanDerWaalsContact CE-SD 3.57Å; K12-M29 PolarHBondContact NZ-SD 3.21Å; M29-V276 HydrophobicContact CB-CG1 3.57Å; M29-V276 HydrophobicContact CE-CG1 3.41Å; M29-V276 VanDerWaalsContact CE-CG1 3.41Å; M29-V276 HydrophobicContact CG-CG1 4.23Å; M29-V276 HydrophobicContact SD-CG1 3.7Å; M29-L280 HydrophobicContact CE-CB 3.97Å; M29-L280 HydrophobicContact CE-CD1 4.16Å; M29-L280 HydrophobicContact CE-CD2 3.82Å; M29-L280 HydrophobicContact CE-CG 4.2Å; M29-M288 HydrophobicContact CE-CE 3.33Å; M29-M288 HydrophobicContact CE-SD 4.34Å; M29-M288 PolarHBondContact N-O 3.24Å; M29-M288 PolarHBondContact O-N 3.07Å
30Q98.8Very high98.5Very high25 Ų2537.1 Ų37.112%0.11719%0.186CC..  trans-67.8-38-179.5-175.2179.8-40.100112.7K9 W32 R33 V34 M36 N287K9-Q30 HydrophobicContact CB-CB 4.18Å; K9-Q30 VanDerWaalsContact NZ-OE1 3.07Å; Q30-W32 PolarHBondContact O-N 2.84Å; Q30-R33 PolarHBondContact NE2-O 3.41Å; Q30-V34 PolarHBondContact NE2-O 3.09Å; Q30-M36 HydrophobicContact CB-CB 4.19Å; Q30-M36 HydrophobicContact CB-SD 4.2Å; Q30-M36 HydrophobicContact CG-CB 4.03Å; Q30-N287 PolarHBondContact O-ND2 3.3Å
31G98.4Very high98.6Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans66.3-134.2178.300000112.3P8 K9P8-G31 CarbonylContact C-O 3.48Å; P8-G31 WeakPolarHBondContact CA-O 3.43Å; K9-G31 PolarHBondContact N-O 3.24Å; K9-G31 PolarHBondContact O-N 3.19Å
32W98.4Very high98.6Very high64 Ų6433.4 Ų33.424%0.24216%0.157CC..EExtended strand (participates in β ladder)trans-85.8-13.9-173.2-7393.8000114.6F4 L5 P8 Q30 R285F4-W32 WeakPolarHBondContact CA-O 2.98Å; F4-W32 HydrophobicContact CD1-CB 3.95Å; L5-W32 PolarHBondContact N-O 3.5Å; P8-W32 HydrophobicContact CB-CD2 4Å; P8-W32 HydrophobicContact CB-CG 4.09Å; P8-W32 HydrophobicContact CG-CD2 4.37Å; P8-W32 HydrophobicContact CG-CZ2 4.01Å; Q30-W32 PolarHBondContact O-N 2.84Å; W32-R285 HydrophobicContact CB-CB 4.03Å; W32-R285 HydrophobicContact CG-CB 4.22Å; W32-R285 HydrophobicContact CG-CG 4.39Å
33R97.9Very high98.6Very high83 Ų8335.3 Ų35.331%0.31317%0.168SC..EExtended strand (participates in β ladder)trans-69.1151178.9-61.7-61.9-161.589.9-0.7110.3L5 Q30 E35 D286 N287L5-R33 VanDerWaalsContact CD1-O 3.27Å; L5-R33 WeakPolarHBondContact CD1-O 3.27Å; Q30-R33 PolarHBondContact NE2-O 3.41Å; R33-E35 WeakPolarHBondContact CB-O 3.44Å; R33-D286 IonicContact CZ-OD1 2.82Å; R33-D286 IonicContact CZ-OD2 2.83Å; R33-D286 IonicContact NE-OD1 2.66Å; R33-D286 PolarHBondContact NE-OD1 2.94Å; R33-D286 IonicContact NE-OD2 3.3Å; R33-D286 IonicContact NH1-OD1 3.6Å; R33-D286 IonicContact NH2-OD1 3.52Å; R33-D286 PolarHBondContact NH2-OD1 3.44Å; R33-D286 IonicContact NH2-OD2 2.86Å; R33-D286 PolarHBondContact NH2-OD2 3Å; R33-N287 WeakPolarHBondContact CB-ND2 3.37Å
34V97.6Very high98.6Very high56 Ų5632.1 Ų32.134%0.33916%0.161SC..SBendtrans-70.9-34.7176.2172.60000111.8A3 L5 Q30A3-V34 HydrophobicContact CB-CG2 3.94Å; A3-V34 VanDerWaalsContact O-CG2 3.31Å; A3-V34 WeakPolarHBondContact O-CG2 3.41Å; L5-V34 HydrophobicContact CD2-CB 4.5Å; L5-V34 HydrophobicContact CD2-CG2 4.02Å; L5-V34 HydrophobicContact CG-CG2 4.36Å; Q30-V34 PolarHBondContact NE2-O 3.09Å
35E97.7Very high98.5Very high123 Ų12331.8 Ų31.858%0.57517%0.167SC*.SBendtrans-113.4158.3178.9-57.9-56.5152.900111R33 E37 N287R33-E35 WeakPolarHBondContact CB-O 3.44Å; E35-E37 HydrophobicContact CB-CG 4.24Å; E35-N287 PolarHBondContact O-ND2 3.17Å; E35-N287 PolarHBondContact O-OD1 2.86Å
36M98.3Very high98.4Very high47 Ų4731.9 Ų31.923%0.23217%0.167CC..  trans-106.9108.4169.5-178.860.5174.200108.3Q30 D38 N287Q30-M36 HydrophobicContact CB-CB 4.19Å; Q30-M36 HydrophobicContact CB-SD 4.2Å; Q30-M36 HydrophobicContact CG-CB 4.03Å; M36-D38 HydrophobicContact CE-CB 3.64Å; M36-D38 HydrophobicContact SD-CB 4.33Å; M36-N287 HydrophobicContact SD-CB 3.85Å
37E98.6Very high98Very high31 Ų3135.3 Ų35.315%0.14519%0.19CC..  trans-106-11.4-175.4-58-171.8141.500113.4E35 G61 H62 A63 G64 A68 N287E35-E37 HydrophobicContact CB-CG 4.24Å; E37-G61 VanDerWaalsContact CB-O 3.25Å; E37-G61 WeakPolarHBondContact CB-O 3.2Å; E37-G61 WeakPolarHBondContact O-CA 3.06Å; E37-G61 PolarHBondContact O-N 2.76Å; E37-H62 WeakPolarHBondContact OE2-CA 3.5Å; E37-A63 PolarHBondContact OE2-N 3.27Å; E37-G64 VanDerWaalsContact OE1-CA 3.25Å; E37-G64 WeakPolarHBondContact OE1-CA 3.28Å; E37-G64 PolarHBondContact OE1-N 3.02Å; E37-A68 WeakPolarHBondContact O-CB 3.44Å; E37-N287 PolarHBondContact N-OD1 2.82Å
38D98.8Very high97.3Very high12 Ų1244 Ų446%0.06423%0.23CC..  trans-70.9149.5175.9-744.8000113.4M36 Y59 C242 S289M36-D38 HydrophobicContact CE-CB 3.64Å; M36-D38 HydrophobicContact SD-CB 4.33Å; D38-Y59 CarbonylContact C-O 3.53Å; D38-Y59 VanDerWaalsContact CA-O 3.26Å; D38-Y59 WeakPolarHBondContact CA-O 3.47Å; D38-C242 PolarHBondContact OD2-SG 3.46Å; D38-S289 WeakPolarHBondContact CB-OG 3.36Å; D38-S289 VanDerWaalsContact OD2-CB 3.27Å; D38-S289 WeakPolarHBondContact OD2-CB 3.15Å; D38-S289 PolarHBondContact OD2-N 3.48Å; D38-S289 PolarHBondContact OD2-OG 2.96Å
39A98.9Very high96.7Very high8 Ų846.7 Ų46.77%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-138.7172.2167.500000111.4Y59 A68A39-Y59 HydrophobicContact CB-CD2 4.27Å; A39-Y59 PolarHBondContact N-O 3.36Å; A39-Y59 PolarHBondContact O-N 3.44Å; A39-A68 HydrophobicContact CB-CB 4.17Å
40H98.9Very high96.5Very high61 Ų6147.5 Ų47.528%0.28226%0.263SS..EExtended strand (participates in β ladder)trans-150.9158.717759.8-95.9000112.6L26 A57 S72L26-H40 WeakPolarHBondContact CD1-NE2 3.34Å; L26-H40 VanDerWaalsContact CD2-CD2 3.45Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.33Å; H40-A57 CarbonylContact C-O 3.52Å; H40-A57 WeakPolarHBondContact CA-O 3.32Å; H40-A57 WeakPolarHBondContact CB-O 3.42Å; H40-S72 WeakPolarHBondContact O-CB 3.33Å
41T98.9Very high96.3Very high12 Ų1251.1 Ų51.17%0.07428%0.283CS..EExtended strand (participates in β ladder)trans-121.9134170-54.40000108.7V43 F55 F56 A57 Y59 S72T41-V43 HydrophobicContact CG2-CG2 3.94Å; T41-F55 HydrophobicContact CG2-CD1 3.69Å; T41-F55 HydrophobicContact CG2-CE1 3.94Å; T41-F56 CarbonylContact O-C 3.57Å; T41-F56 VanDerWaalsContact O-CA 3.27Å; T41-F56 WeakPolarHBondContact O-CA 3.48Å; T41-A57 PolarHBondContact N-O 2.64Å; T41-A57 PolarHBondContact O-N 3.21Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.24Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.34Å; T41-Y59 PolarHBondContact OG1-OH 3.4Å; T41-S72 WeakPolarHBondContact OG1-CA 3.44Å; T41-S72 PolarHBondContact OG1-O 3.14Å
42A98.8Very high96.2Very high26 Ų2656.2 Ų56.222%0.21531%0.31CS..EExtended strand (participates in β ladder)trans-140.6107.2171.100000109.9Y24 L26 F56Y24-A42 HydrophobicContact CD2-CB 4.11Å; Y24-A42 HydrophobicContact CE2-CB 3.56Å; L26-A42 HydrophobicContact CD2-CB 3.88Å; A42-F56 HydrophobicContact CB-CD1 3.78Å; A42-F56 HydrophobicContact CB-CE1 4.05Å
43V98.7Very high96.2Very high43 Ų4353.4 Ų53.426%0.26130%0.3SS..EExtended strand (participates in β ladder)trans-131.3123.5-176.3177.80000109.4T41 I46 S54 F55 L76T41-V43 HydrophobicContact CG2-CG2 3.94Å; V43-I46 HydrophobicContact CG1-CG1 4.47Å; V43-S54 CarbonylContact O-C 3.6Å; V43-S54 VanDerWaalsContact O-CA 3.26Å; V43-S54 WeakPolarHBondContact O-CA 3.28Å; V43-S54 WeakPolarHBondContact O-CB 3.48Å; V43-F55 PolarHBondContact N-O 3.24Å; V43-F55 PolarHBondContact O-N 2.99Å; V43-L76 HydrophobicContact CB-CD2 4.36Å; V43-L76 HydrophobicContact CG1-CD2 4.45Å; V43-L76 HydrophobicContact CG2-CD2 4.27Å
44V98.6Very high96.3Very high41 Ų4149.5 Ų49.525%0.24829%0.285CS..EExtended strand (participates in β ladder)trans-111.4116.8169.9-179.20000107.8G19 N20 Y24 F56G19-V44 VanDerWaalsContact CA-CG1 3.49Å; G19-V44 WeakPolarHBondContact O-CG1 3.44Å; N20-V44 HydrophobicContact CB-CG1 4.18Å; Y24-V44 HydrophobicContact CD1-CG2 3.99Å; Y24-V44 HydrophobicContact CE1-CG2 3.92Å; V44-F56 HydrophobicContact CG2-CE1 4.28Å; V44-F56 HydrophobicContact CG2-CZ 3.72Å
45G97.5Very high96.3Very high24 Ų2446.9 Ų46.925%0.24727%0.269CS..EExtended strand (participates in β ladder)trans86.988-169.600000111.5N20 D51 W53N20-G45 PolarHBondContact ND2-N 3.15Å; G45-D51 VanDerWaalsContact CA-O 3.24Å; G45-D51 WeakPolarHBondContact CA-O 3.48Å; G45-W53 VanDerWaalsContact CA-O 3.22Å; G45-W53 WeakPolarHBondContact CA-O 3.26Å; G45-W53 PolarHBondContact N-O 2.98Å
46I96.6Very high96.4Very high2 Ų241 Ų411%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-74.6135.1177-58.6171.6000108.8V43 L50 D51 W53 F55 L76 T80 M138V43-I46 HydrophobicContact CG1-CG1 4.47Å; I46-L50 HydrophobicContact CB-CB 3.72Å; I46-L50 HydrophobicContact CG2-CB 3.93Å; I46-L50 HydrophobicContact CG2-CD1 3.96Å; I46-L50 PolarHBondContact N-O 2.86Å; I46-L50 CarbonylContact O-C 3.58Å; I46-L50 WeakPolarHBondContact O-CA 3.4Å; I46-L50 VanDerWaalsContact O-O 3.08Å; I46-D51 PolarHBondContact O-N 3.45Å; I46-W53 HydrophobicContact CB-CB 4.43Å; I46-W53 HydrophobicContact CD1-CB 3.69Å; I46-W53 HydrophobicContact CG1-CB 4.18Å; I46-W53 PolarHBondContact N-O 3.23Å; I46-W53 VanDerWaalsContact N-O 3.14Å; I46-F55 HydrophobicContact CD1-CB 4.02Å; I46-F55 HydrophobicContact CG1-CB 4.43Å; I46-L76 HydrophobicContact CD1-CD1 4.09Å; I46-L76 HydrophobicContact CG1-CD2 4.32Å; I46-L76 HydrophobicContact CG2-CD1 4.43Å; I46-L76 HydrophobicContact CG2-CD2 4.34Å; I46-T80 HydrophobicContact CG2-CG2 4.28Å; I46-M138 HydrophobicContact CD1-CE 4.5Å; I46-M138 HydrophobicContact CD1-CG 4.43Å
47P89.6Confident96.4Very high74 Ų7438.9 Ų38.948%0.48123%0.231SC..THydrogen-bonded Turntrans-60.9173.6179.9-2534.9000114.7
48H85.4Confident96.4Very high183 Ų18337.4 Ų37.485%0.84722%0.224SC*.THydrogen-bonded Turntrans62.842.5170.1-52.4-64.2000115.3
49G85.7Confident96.4Very high65 Ų6536.8 Ų36.867%0.6722%0.221SC*.THydrogen-bonded Turntrans91.68.8173.900000114.4
50L94Very high96.4Very high17 Ų1737.1 Ų37.19%0.08922%0.222CC..EExtended strand (participates in β ladder)trans-109.230.7174.2-63172.2000111I46 N52 W53 T80 F85 P97I46-L50 HydrophobicContact CB-CB 3.72Å; I46-L50 HydrophobicContact CG2-CB 3.93Å; I46-L50 HydrophobicContact CG2-CD1 3.96Å; I46-L50 PolarHBondContact N-O 2.86Å; I46-L50 CarbonylContact O-C 3.58Å; I46-L50 WeakPolarHBondContact O-CA 3.4Å; I46-L50 VanDerWaalsContact O-O 3.08Å; L50-N52 PolarHBondContact O-N 3.28Å; L50-N52 VanDerWaalsContact O-N 3.08Å; L50-W53 HydrophobicContact CB-CB 4.13Å; L50-W53 HydrophobicContact CB-CG 4.13Å; L50-W53 HydrophobicContact CD2-CD2 4.01Å; L50-W53 HydrophobicContact CD2-CG 4.08Å; L50-W53 HydrophobicContact CD2-CZ2 4.5Å; L50-W53 WeakPolarHBondContact O-CA 3.46Å; L50-W53 VanDerWaalsContact O-CB 3.28Å; L50-W53 WeakPolarHBondContact O-CB 2.77Å; L50-W53 PolarHBondContact O-N 2.92Å; L50-T80 HydrophobicContact CD1-CG2 3.92Å; L50-F85 HydrophobicContact CD1-CE1 3.77Å; L50-F85 HydrophobicContact CD1-CZ 4.1Å; L50-F85 HydrophobicContact CD2-CE1 4.5Å; L50-P97 HydrophobicContact CD2-CG 4.33Å
51D95.6Very high96.4Very high101 Ų10134.4 Ų34.454%0.5421%0.21SC..EExtended strand (participates in β ladder)trans-61.1-24.4-173.6-54.4-89.1000112.9N20 G45 I46 W53N20-D51 PolarHBondContact ND2-O 3.39Å; N20-D51 PolarHBondContact OD1-O 3Å; G45-D51 VanDerWaalsContact CA-O 3.24Å; G45-D51 WeakPolarHBondContact CA-O 3.48Å; I46-D51 PolarHBondContact O-N 3.45Å; D51-W53 VanDerWaalsContact C-N 3.31Å
52N96.6Very high96.4Very high107 Ų10735.5 Ų35.557%0.57221%0.214SC*.EExtended strand (participates in β ladder)trans-89.24.7175-62.1-40.1000113.6L50 P141L50-N52 PolarHBondContact O-N 3.28Å; L50-N52 VanDerWaalsContact O-N 3.08Å; N52-P141 HydrophobicContact CB-CG 3.92Å
53W98.2Very high96.3Very high5 Ų537.6 Ų37.62%0.01923%0.231CC..EExtended strand (participates in β ladder)trans-104156.1177.5-64.850.8000110.3N20 G45 I46 L50 D51 F85 E96 V102 M138 V139 Y145N20-W53 PolarHBondContact ND2-O 2.91Å; G45-W53 VanDerWaalsContact CA-O 3.22Å; G45-W53 WeakPolarHBondContact CA-O 3.26Å; G45-W53 PolarHBondContact N-O 2.98Å; I46-W53 HydrophobicContact CB-CB 4.43Å; I46-W53 HydrophobicContact CD1-CB 3.69Å; I46-W53 HydrophobicContact CG1-CB 4.18Å; I46-W53 PolarHBondContact N-O 3.23Å; I46-W53 VanDerWaalsContact N-O 3.14Å; L50-W53 HydrophobicContact CB-CB 4.13Å; L50-W53 HydrophobicContact CB-CG 4.13Å; L50-W53 HydrophobicContact CD2-CD2 4.01Å; L50-W53 HydrophobicContact CD2-CG 4.08Å; L50-W53 HydrophobicContact CD2-CZ2 4.5Å; L50-W53 WeakPolarHBondContact O-CA 3.46Å; L50-W53 VanDerWaalsContact O-CB 3.28Å; L50-W53 WeakPolarHBondContact O-CB 2.77Å; L50-W53 PolarHBondContact O-N 2.92Å; D51-W53 VanDerWaalsContact C-N 3.31Å; W53-F85 HydrophobicContact CZ3-CZ 4.49Å; W53-E96 PolarHBondContact NE1-OE1 3.35Å; W53-V102 HydrophobicContact CH2-CG2 3.76Å; W53-V102 HydrophobicContact CZ3-CG2 4.1Å; W53-M138 HydrophobicContact CE3-CG 3.77Å; W53-M138 HydrophobicContact CE3-SD 3.8Å; W53-M138 HydrophobicContact CZ3-CG 4.07Å; W53-M138 HydrophobicContact CZ3-SD 3.78Å; W53-V139 CarbonylContact C-O 3.6Å; W53-V139 WeakPolarHBondContact CA-O 3.21Å; W53-Y145 HydrophobicContact CH2-CE2 4.06Å; W53-Y145 HydrophobicContact CZ3-CD2 4.37Å; W53-Y145 AromaticContact CZ3-CE2 3.93Å; W53-Y145 HydrophobicContact CZ3-CE2 3.93Å
54S98.8Very high96.2Very high1 Ų136.2 Ų36.21%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-134.9153.9176.7-47.10000110N20 V43 M138 V139N20-S54 PolarHBondContact ND2-OG 3.42Å; V43-S54 CarbonylContact O-C 3.6Å; V43-S54 VanDerWaalsContact O-CA 3.26Å; V43-S54 WeakPolarHBondContact O-CA 3.28Å; V43-S54 WeakPolarHBondContact O-CB 3.48Å; S54-M138 CarbonylContact O-C 3.48Å; S54-M138 WeakPolarHBondContact O-CA 3.43Å; S54-V139 PolarHBondContact N-O 2.85Å; S54-V139 PolarHBondContact O-N 2.77Å
55F98.9Very high96.1Very high2 Ų236.3 Ų36.31%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-139.1129.1178.6-180-106.6000110.7T41 V43 I46 A57 L76 V137 M138 I147T41-F55 HydrophobicContact CG2-CD1 3.69Å; T41-F55 HydrophobicContact CG2-CE1 3.94Å; V43-F55 PolarHBondContact N-O 3.24Å; V43-F55 PolarHBondContact O-N 2.99Å; I46-F55 HydrophobicContact CD1-CB 4.02Å; I46-F55 HydrophobicContact CG1-CB 4.43Å; F55-A57 HydrophobicContact CE1-CB 3.83Å; F55-A57 HydrophobicContact CZ-CB 3.76Å; F55-L76 HydrophobicContact CB-CD1 3.86Å; F55-L76 HydrophobicContact CB-CD2 4.04Å; F55-L76 HydrophobicContact CD1-CB 3.97Å; F55-L76 HydrophobicContact CD1-CD1 3.93Å; F55-L76 HydrophobicContact CD1-CD2 4.01Å; F55-L76 HydrophobicContact CD1-CG 4.19Å; F55-L76 HydrophobicContact CD2-CD1 4.21Å; F55-L76 HydrophobicContact CE1-CB 4.12Å; F55-L76 HydrophobicContact CG-CD1 3.74Å; F55-L76 HydrophobicContact CG-CD2 4.29Å; F55-L76 HydrophobicContact CG-CG 4.44Å; F55-V137 WeakPolarHBondContact CA-O 3.33Å; F55-M138 HydrophobicContact CD2-CB 4.1Å; F55-M138 HydrophobicContact CD2-CE 4.14Å; F55-I147 HydrophobicContact CE2-CD1 4.13Å
56F98.9Very high96.1Very high0 Ų039.7 Ų39.70%023%0.234CC..EExtended strand (participates in β ladder)trans-129.9139.2176.3-56.1-84.1000109.3L22 Y24 T41 A42 V44 G136 V137 L240 V291 V293L22-F56 HydrophobicContact CD1-CE2 4.16Å; Y24-F56 AromaticContact CD1-CE1 3.49Å; Y24-F56 HydrophobicContact CD1-CE1 3.49Å; Y24-F56 VanDerWaalsContact CD1-CE1 3.49Å; Y24-F56 AromaticContact CD1-CZ 3.91Å; Y24-F56 HydrophobicContact CD1-CZ 3.91Å; Y24-F56 HydrophobicContact CD2-CE1 4.12Å; Y24-F56 HydrophobicContact CE1-CE1 4.03Å; Y24-F56 HydrophobicContact CG-CD1 4.35Å; Y24-F56 AromaticContact CG-CE1 3.52Å; Y24-F56 HydrophobicContact CG-CE1 3.52Å; Y24-F56 HydrophobicContact CG-CZ 4.2Å; T41-F56 CarbonylContact O-C 3.57Å; T41-F56 VanDerWaalsContact O-CA 3.27Å; T41-F56 WeakPolarHBondContact O-CA 3.48Å; A42-F56 HydrophobicContact CB-CD1 3.78Å; A42-F56 HydrophobicContact CB-CE1 4.05Å; V44-F56 HydrophobicContact CG2-CE1 4.28Å; V44-F56 HydrophobicContact CG2-CZ 3.72Å; F56-G136 CarbonylContact O-C 3.51Å; F56-G136 WeakPolarHBondContact O-CA 3.32Å; F56-V137 HydrophobicContact CB-CG1 4.17Å; F56-V137 HydrophobicContact CD2-CG1 4.18Å; F56-V137 PolarHBondContact N-O 2.94Å; F56-V137 PolarHBondContact O-N 3.01Å; F56-L240 HydrophobicContact CB-CD1 4.21Å; F56-V291 HydrophobicContact CB-CG1 4.25Å; F56-V291 HydrophobicContact CD1-CG1 4.07Å; F56-V291 HydrophobicContact CG-CG1 4.44Å; F56-V293 HydrophobicContact CB-CG2 4.25Å; F56-V293 HydrophobicContact CD1-CG2 4Å; F56-V293 HydrophobicContact CD2-CG1 4.3Å; F56-V293 HydrophobicContact CD2-CG2 3.64Å; F56-V293 HydrophobicContact CE1-CG2 4.25Å; F56-V293 HydrophobicContact CE2-CG1 3.85Å; F56-V293 HydrophobicContact CE2-CG2 3.89Å; F56-V293 HydrophobicContact CG-CG2 3.68Å; F56-V293 HydrophobicContact CZ-CG1 4.24Å; F56-V293 HydrophobicContact CZ-CG2 4.19Å
57A98.9Very high96.2Very high1 Ų139.6 Ų39.61%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-152.9151.4177.700000112.7H40 T41 F55 Y59 V135H40-A57 CarbonylContact C-O 3.52Å; H40-A57 WeakPolarHBondContact CA-O 3.32Å; H40-A57 WeakPolarHBondContact CB-O 3.42Å; T41-A57 PolarHBondContact N-O 2.64Å; T41-A57 PolarHBondContact O-N 3.21Å; F55-A57 HydrophobicContact CE1-CB 3.83Å; F55-A57 HydrophobicContact CZ-CB 3.76Å; A57-Y59 HydrophobicContact CB-CE1 4.21Å; A57-Y59 HydrophobicContact CB-CE2 3.79Å; A57-Y59 WeakPolarHBondContact CB-OH 3.32Å; A57-V135 CarbonylContact C-O 3.57Å; A57-V135 WeakPolarHBondContact CA-O 3.44Å; A57-V135 WeakPolarHBondContact CB-O 3.39Å
58V98.9Very high96.6Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-118.8138168.9174.70000108.1V135 L240 C242 V291V58-V135 HydrophobicContact CB-CG1 4.06Å; V58-V135 PolarHBondContact N-O 3.11Å; V58-V135 PolarHBondContact O-N 3.42Å; V58-L240 HydrophobicContact CG2-CB 4.04Å; V58-C242 HydrophobicContact CG1-CB 4.21Å; V58-V291 HydrophobicContact CG2-CG2 3.76Å
59Y98.9Very high97.3Very high0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-125.1114.6179.4-48.5-87.2000107.6D38 A39 T41 A57 C71 L75 T133 A134D38-Y59 CarbonylContact C-O 3.53Å; D38-Y59 VanDerWaalsContact CA-O 3.26Å; D38-Y59 WeakPolarHBondContact CA-O 3.47Å; A39-Y59 HydrophobicContact CB-CD2 4.27Å; A39-Y59 PolarHBondContact N-O 3.36Å; A39-Y59 PolarHBondContact O-N 3.44Å; T41-Y59 VanDerWaalsContact OG1-CE2 3.24Å; T41-Y59 WeakPolarHBondContact OG1-CE2 3.34Å; T41-Y59 PolarHBondContact OG1-OH 3.4Å; A57-Y59 HydrophobicContact CB-CE1 4.21Å; A57-Y59 HydrophobicContact CB-CE2 3.79Å; A57-Y59 WeakPolarHBondContact CB-OH 3.32Å; Y59-C71 HydrophobicContact CD1-CB 3.65Å; Y59-C71 HydrophobicContact CE1-CB 3.68Å; Y59-C71 HydrophobicContact CG-CB 4.3Å; Y59-C71 PolarHBondContact OH-O 3.28Å; Y59-L75 HydrophobicContact CE1-CD2 3.71Å; Y59-T133 WeakPolarHBondContact CA-O 3.49Å; Y59-A134 HydrophobicContact CD1-CB 3.69Å; Y59-A134 HydrophobicContact CE1-CB 3.82Å
60D98.9Very high97.9Very high15 Ų1529.7 Ų29.78%0.0817%0.165CC..  trans-93.1111.4175.1-172.9-24000107.2S132 T133 S152 C242D60-S132 VanDerWaalsContact C-OG 3.3Å; D60-S132 CarbonylContact O-C 3.52Å; D60-S132 WeakPolarHBondContact O-CA 3.27Å; D60-S132 WeakPolarHBondContact O-CB 3.45Å; D60-S132 PolarHBondContact O-OG 3.2Å; D60-T133 HydrophobicContact CB-CG2 3.99Å; D60-T133 VanDerWaalsContact CB-OG1 3.23Å; D60-T133 WeakPolarHBondContact CB-OG1 3.24Å; D60-T133 PolarHBondContact N-OG1 3.41Å; D60-T133 PolarHBondContact O-N 3.18Å; D60-S152 WeakPolarHBondContact CB-OG 3.18Å; D60-C242 HydrophobicContact CB-CB 3.91Å; D60-C242 WeakPolarHBondContact OD2-CB 3.47Å
61G98.7Very high98.1Very high3 Ų328.9 Ų28.93%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-88.1145.5-178.300000111E37 G131E37-G61 VanDerWaalsContact CB-O 3.25Å; E37-G61 WeakPolarHBondContact CB-O 3.2Å; E37-G61 WeakPolarHBondContact O-CA 3.06Å; E37-G61 PolarHBondContact O-N 2.76Å; G61-G131 WeakPolarHBondContact CA-O 3.46Å
62H98.1Very high98.3Very high36 Ų3625.1 Ų25.117%0.16714%0.142CC..EExtended strand (participates in β ladder)trans-136.7144.2172.757.2-103.7000111.6E37 G64 S130 G131 D204E37-H62 WeakPolarHBondContact OE2-CA 3.5Å; H62-G64 VanDerWaalsContact C-N 3.28Å; H62-G64 PolarHBondContact O-N 2.94Å; H62-S130 CarbonylContact O-C 3.51Å; H62-S130 WeakPolarHBondContact O-CA 3.47Å; H62-S130 WeakPolarHBondContact O-CB 3.46Å; H62-G131 PolarHBondContact N-O 3.24Å; H62-G131 WeakPolarHBondContact NE2-CA 3.37Å; H62-G131 PolarHBondContact O-N 3.31Å; H62-D204 IonicContact CD2-OD1 3.21Å; H62-D204 IonicContact CE1-OD1 3.18Å; H62-D204 IonicContact CE1-OD2 3.98Å; H62-D204 PolarHBondContact CE1-OD2 3.44Å; H62-D204 IonicContact NE2-OD1 2.89Å; H62-D204 PolarHBondContact NE2-OD1 3.1Å; H62-D204 IonicContact NE2-OD2 2.89Å; H62-D204 PolarHBondContact NE2-OD2 3.47Å
63A96.4Very high98.4Very high69 Ų6924.4 Ų24.457%0.5714%0.142SC*.SBendtrans60.136.7-179.300000113.4E37 S130E37-A63 PolarHBondContact OE2-N 3.27Å; A63-S130 WeakPolarHBondContact O-CA 3.27Å; A63-S130 PolarHBondContact O-N 2.89Å
64G96.2Very high98.4Very high15 Ų1526.9 Ų26.916%0.15515%0.153CC..SBendtrans122.6154.8-175.400000111.8E37 H62 S130E37-G64 VanDerWaalsContact OE1-CA 3.25Å; E37-G64 WeakPolarHBondContact OE1-CA 3.28Å; E37-G64 PolarHBondContact OE1-N 3.02Å; H62-G64 VanDerWaalsContact C-N 3.28Å; H62-G64 PolarHBondContact O-N 2.94Å; G64-S130 WeakPolarHBondContact O-CB 3.31Å
65S97.1Very high98.4Very high42 Ų4226.9 Ų26.929%0.29415%0.153SC..SBendtrans-95.70.5-179.361.90000113.8V67 A68 N69S65-V67 PolarHBondContact O-N 3.25Å; S65-A68 PolarHBondContact O-N 3.07Å; S65-N69 VanDerWaalsContact O-CB 3.28Å; S65-N69 WeakPolarHBondContact O-CB 3.18Å; S65-N69 VanDerWaalsContact O-CG 3.22Å; S65-N69 PolarHBondContact O-N 3.42Å; S65-N69 PolarHBondContact O-ND2 2.69Å; S65-N69 VanDerWaalsContact O-ND2 3.1Å; S65-N69 PolarHBondContact OG-ND2 3.2Å
66R97.8Very high98.4Very high95 Ų9527.9 Ų27.936%0.35816%0.159SC..Hα-helixtrans-62.3-48.2-170-177.7174.4179125.61.4112.5Y70 D122R66-Y70 PolarHBondContact O-N 2.87Å; R66-D122 WeakPolarHBondContact CD-OD2 3.46Å; R66-D122 IonicContact CZ-OD1 3.67Å; R66-D122 IonicContact CZ-OD2 3.57Å; R66-D122 IonicContact NE-OD1 3.55Å; R66-D122 PolarHBondContact NE-OD1 2.72Å; R66-D122 IonicContact NE-OD2 3.79Å; R66-D122 PolarHBondContact NE-OD2 3.33Å; R66-D122 IonicContact NH1-OD1 2.75Å; R66-D122 PolarHBondContact NH1-OD1 3.18Å; R66-D122 IonicContact NH1-OD2 2.89Å; R66-D122 PolarHBondContact NH1-OD2 3.4Å; R66-D122 IonicContact NH2-OD1 3.6Å; R66-D122 PolarHBondContact NH2-OD1 2.97Å; R66-D122 VanDerWaalsContact NH2-OD1 3.09Å
67V98.6Very high98.3Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-65.7-47.1179.2171.40000111.1S65 N69 Y70 C71 M117 L123 S130 L202S65-V67 PolarHBondContact O-N 3.25Å; V67-N69 PolarHBondContact O-N 3.2Å; V67-Y70 PolarHBondContact O-N 2.92Å; V67-C71 WeakPolarHBondContact O-CB 3.24Å; V67-C71 PolarHBondContact O-N 2.7Å; V67-C71 PolarHBondContact O-SG 3.42Å; V67-M117 HydrophobicContact CG1-CE 3.91Å; V67-M117 HydrophobicContact CG1-SD 4.17Å; V67-M117 HydrophobicContact CG2-SD 4.44Å; V67-L123 HydrophobicContact CG2-CD1 4.05Å; V67-L123 HydrophobicContact CG2-CD2 4.24Å; V67-S130 WeakPolarHBondContact CG2-O 3.21Å; V67-S130 WeakPolarHBondContact CG2-OG 3.4Å; V67-S130 PolarHBondContact N-OG 3.4Å; V67-L202 HydrophobicContact CG1-CB 4.01Å
68A98.8Very high98.3Very high0 Ų034.6 Ų34.60%019%0.19CC..Hα-helixtrans-56.7-47.3177.700000112.1E37 A39 S65 Y70 C71 S72 S132E37-A68 WeakPolarHBondContact O-CB 3.44Å; A39-A68 HydrophobicContact CB-CB 4.17Å; S65-A68 PolarHBondContact O-N 3.07Å; A68-Y70 PolarHBondContact O-N 3.45Å; A68-C71 PolarHBondContact O-N 3.09Å; A68-S72 PolarHBondContact O-N 3.01Å; A68-S132 WeakPolarHBondContact CB-OG 3.25Å
69N98.8Very high98.3Very high77 Ų7734.6 Ų34.641%0.41219%0.19SC..Hα-helixtrans-65-36.2178.6-74.7-31.4000113.5S65 V67 S72 T73S65-N69 VanDerWaalsContact O-CB 3.28Å; S65-N69 WeakPolarHBondContact O-CB 3.18Å; S65-N69 VanDerWaalsContact O-CG 3.22Å; S65-N69 PolarHBondContact O-N 3.42Å; S65-N69 PolarHBondContact O-ND2 2.69Å; S65-N69 VanDerWaalsContact O-ND2 3.1Å; S65-N69 PolarHBondContact OG-ND2 3.2Å; V67-N69 PolarHBondContact O-N 3.2Å; N69-S72 PolarHBondContact O-OG 3.36Å; N69-T73 PolarHBondContact O-OG1 3.35Å
70Y98.8Very high98.2Very high37 Ų3735.6 Ų35.615%0.14520%0.196CC..Hα-helixtrans-70.4-43.4176-168.5-93.8000111R66 V67 A68 S72 T73 H74 I113 Y116 M117 F120R66-Y70 PolarHBondContact O-N 2.87Å; V67-Y70 PolarHBondContact O-N 2.92Å; A68-Y70 PolarHBondContact O-N 3.45Å; Y70-S72 VanDerWaalsContact C-N 3.35Å; Y70-S72 PolarHBondContact O-N 2.94Å; Y70-T73 PolarHBondContact O-N 3.29Å; Y70-T73 PolarHBondContact O-OG1 2.99Å; Y70-H74 HydrophobicContact CD1-CB 4.22Å; Y70-H74 AromaticContact CD2-CE1 3.83Å; Y70-H74 AromaticContact CD2-ND1 3.58Å; Y70-H74 HydrophobicContact CE1-CB 3.74Å; Y70-H74 AromaticContact CE1-CG 3.88Å; Y70-H74 AromaticContact CE2-CE1 3.54Å; Y70-H74 AromaticContact CE2-CG 3.79Å; Y70-H74 AromaticContact CE2-ND1 3.44Å; Y70-H74 WeakPolarHBondContact CE2-ND1 3.45Å; Y70-H74 AromaticContact CE2-NE2 3.9Å; Y70-H74 AromaticContact CG-ND1 3.92Å; Y70-H74 AromaticContact CZ-CD2 3.88Å; Y70-H74 AromaticContact CZ-CG 3.54Å; Y70-H74 AromaticContact CZ-ND1 3.68Å; Y70-H74 WeakPolarHBondContact O-CB 3.29Å; Y70-H74 PolarHBondContact O-N 3.49Å; Y70-H74 PolarHBondContact O-ND1 3.41Å; Y70-I113 HydrophobicContact CD1-CD1 3.94Å; Y70-I113 HydrophobicContact CD1-CG1 4.08Å; Y70-I113 HydrophobicContact CE1-CD1 3.94Å; Y70-I113 HydrophobicContact CE1-CG1 3.86Å; Y70-Y116 AromaticContact CE1-CD1 3.9Å; Y70-Y116 HydrophobicContact CE1-CD1 3.9Å; Y70-Y116 HydrophobicContact CE1-CE1 4.09Å; Y70-Y116 HydrophobicContact CE2-CE1 4.26Å; Y70-Y116 AromaticContact CZ-CD1 3.83Å; Y70-Y116 AromaticContact CZ-CE1 3.51Å; Y70-Y116 WeakPolarHBondContact OH-CD1 3.42Å; Y70-Y116 WeakPolarHBondContact OH-CE1 3.49Å; Y70-M117 HydrophobicContact CD1-CG 3.42Å; Y70-M117 VanDerWaalsContact CD1-CG 3.42Å; Y70-M117 HydrophobicContact CD1-SD 3.41Å; Y70-M117 WeakPolarHBondContact CD1-SD 3.49Å; Y70-M117 HydrophobicContact CE1-CG 3.82Å; Y70-M117 HydrophobicContact CE1-SD 4.34Å; Y70-M117 HydrophobicContact CG-CG 4.1Å; Y70-M117 HydrophobicContact CG-SD 3.92Å; Y70-F120 HydrophobicContact CD1-CE2 4.31Å; Y70-F120 HydrophobicContact CD1-CZ 4.22Å; Y70-F120 AromaticContact CD2-CE2 3.86Å; Y70-F120 HydrophobicContact CD2-CE2 3.86Å; Y70-F120 AromaticContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CE1-CZ 4.07Å; Y70-F120 HydrophobicContact CE2-CE2 4.21Å; Y70-F120 AromaticContact CE2-CZ 3.57Å; Y70-F120 HydrophobicContact CE2-CZ 3.57Å; Y70-F120 AromaticContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CZ 4.04Å; Y70-F120 AromaticContact CZ-CZ 3.78Å
71C98.9Very high98Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-60-42.3176.8-69.80000112.5Y59 V67 A68 T73 H74 L75 L202Y59-C71 HydrophobicContact CD1-CB 3.65Å; Y59-C71 HydrophobicContact CE1-CB 3.68Å; Y59-C71 HydrophobicContact CG-CB 4.3Å; Y59-C71 PolarHBondContact OH-O 3.28Å; V67-C71 WeakPolarHBondContact O-CB 3.24Å; V67-C71 PolarHBondContact O-N 2.7Å; V67-C71 PolarHBondContact O-SG 3.42Å; A68-C71 PolarHBondContact O-N 3.09Å; C71-T73 PolarHBondContact O-N 3.08Å; C71-T73 VanDerWaalsContact O-N 3.13Å; C71-H74 PolarHBondContact O-N 3.39Å; C71-L75 WeakPolarHBondContact O-CB 3.23Å; C71-L75 PolarHBondContact O-N 3.28Å; C71-L202 WeakPolarHBondContact SG-CD1 3.43Å
72S98.8Very high97.9Very high22 Ų2238.2 Ų38.215%0.15421%0.212CC..Hα-helixtrans-64.2-17.2-179.269.80000114.8H40 T41 A68 N69 Y70H40-S72 WeakPolarHBondContact O-CB 3.33Å; T41-S72 WeakPolarHBondContact OG1-CA 3.44Å; T41-S72 PolarHBondContact OG1-O 3.14Å; A68-S72 PolarHBondContact O-N 3.01Å; N69-S72 PolarHBondContact O-OG 3.36Å; Y70-S72 VanDerWaalsContact C-N 3.35Å; Y70-S72 PolarHBondContact O-N 2.94Å
73T98.5Very high97.8Very high93 Ų9341.8 Ų41.857%0.57123%0.229SC*.Hα-helixtrans-111.6-23.2-178.644.40000113.1N69 Y70 C71N69-T73 PolarHBondContact O-OG1 3.35Å; Y70-T73 PolarHBondContact O-N 3.29Å; Y70-T73 PolarHBondContact O-OG1 2.99Å; C71-T73 PolarHBondContact O-N 3.08Å; C71-T73 VanDerWaalsContact O-N 3.13Å
74H98.8Very high97.7Very high56 Ų5641 Ų4126%0.25922%0.215SC..Hα-helixtrans-125.2-15.1-170.6-55.783.2000115Y70 C71 L76 E77 H78 I113Y70-H74 HydrophobicContact CD1-CB 4.22Å; Y70-H74 AromaticContact CD2-CE1 3.83Å; Y70-H74 AromaticContact CD2-ND1 3.58Å; Y70-H74 HydrophobicContact CE1-CB 3.74Å; Y70-H74 AromaticContact CE1-CG 3.88Å; Y70-H74 AromaticContact CE2-CE1 3.54Å; Y70-H74 AromaticContact CE2-CG 3.79Å; Y70-H74 AromaticContact CE2-ND1 3.44Å; Y70-H74 WeakPolarHBondContact CE2-ND1 3.45Å; Y70-H74 AromaticContact CE2-NE2 3.9Å; Y70-H74 AromaticContact CG-ND1 3.92Å; Y70-H74 AromaticContact CZ-CD2 3.88Å; Y70-H74 AromaticContact CZ-CG 3.54Å; Y70-H74 AromaticContact CZ-ND1 3.68Å; Y70-H74 WeakPolarHBondContact O-CB 3.29Å; Y70-H74 PolarHBondContact O-N 3.49Å; Y70-H74 PolarHBondContact O-ND1 3.41Å; C71-H74 PolarHBondContact O-N 3.39Å; H74-L76 VanDerWaalsContact C-N 3.34Å; H74-L76 PolarHBondContact O-N 2.91Å; H74-E77 PolarHBondContact O-N 2.96Å; H74-H78 PolarHBondContact O-N 3.2Å; H74-H78 PolarHBondContact O-ND1 2.99Å; H74-I113 HydrophobicContact CB-CD1 4.17Å
75L98.8Very high97.6Very high2 Ų240.6 Ų40.61%0.0121%0.209CC..Hα-helixtrans-60.9-43.9-176.1178.464.2000111.7Y59 C71 E77 H78 I79 F110 I113 A134Y59-L75 HydrophobicContact CE1-CD2 3.71Å; C71-L75 WeakPolarHBondContact O-CB 3.23Å; C71-L75 PolarHBondContact O-N 3.28Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 3.3Å; L75-H78 PolarHBondContact O-N 3.19Å; L75-I79 HydrophobicContact CD1-CD1 4.11Å; L75-I79 HydrophobicContact CD1-CG1 4.26Å; L75-I79 HydrophobicContact CD2-CD1 4.42Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 HydrophobicContact CG-CG1 4.4Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.91Å; L75-F110 HydrophobicContact CD1-CD2 3.87Å; L75-F110 HydrophobicContact CD1-CE2 3.92Å; L75-F110 HydrophobicContact CD1-CG 4.31Å; L75-F110 HydrophobicContact CD1-CZ 4.37Å; L75-F110 HydrophobicContact CD2-CE1 4.45Å; L75-F110 HydrophobicContact CD2-CE2 3.86Å; L75-F110 HydrophobicContact CD2-CZ 3.77Å; L75-F110 HydrophobicContact CG-CE2 4.33Å; L75-I113 HydrophobicContact CB-CD1 4.1Å; L75-I113 HydrophobicContact CD1-CD1 4.34Å; L75-I113 HydrophobicContact CD1-CG2 3.81Å; L75-A134 HydrophobicContact CD2-CB 4.34Å
76L98.7Very high97.1Very high22 Ų2245.2 Ų45.212%0.11522%0.22CC..Hα-helixtrans-59.1-41.2179.3177.958.1000112.1V43 I46 F55 H74 I79 T80 M138V43-L76 HydrophobicContact CB-CD2 4.36Å; V43-L76 HydrophobicContact CG1-CD2 4.45Å; V43-L76 HydrophobicContact CG2-CD2 4.27Å; I46-L76 HydrophobicContact CD1-CD1 4.09Å; I46-L76 HydrophobicContact CG1-CD2 4.32Å; I46-L76 HydrophobicContact CG2-CD1 4.43Å; I46-L76 HydrophobicContact CG2-CD2 4.34Å; F55-L76 HydrophobicContact CB-CD1 3.86Å; F55-L76 HydrophobicContact CB-CD2 4.04Å; F55-L76 HydrophobicContact CD1-CB 3.97Å; F55-L76 HydrophobicContact CD1-CD1 3.93Å; F55-L76 HydrophobicContact CD1-CD2 4.01Å; F55-L76 HydrophobicContact CD1-CG 4.19Å; F55-L76 HydrophobicContact CD2-CD1 4.21Å; F55-L76 HydrophobicContact CE1-CB 4.12Å; F55-L76 HydrophobicContact CG-CD1 3.74Å; F55-L76 HydrophobicContact CG-CD2 4.29Å; F55-L76 HydrophobicContact CG-CG 4.44Å; H74-L76 VanDerWaalsContact C-N 3.34Å; H74-L76 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 3.35Å; L76-T80 HydrophobicContact CD1-CG2 3.84Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 WeakPolarHBondContact O-CG2 3.47Å; L76-T80 PolarHBondContact O-N 3.19Å; L76-T80 PolarHBondContact O-OG1 2.79Å; L76-M138 HydrophobicContact CD1-CE 3.83Å
77E98Very high95.9Very high111 Ų11142.9 Ų42.952%0.51922%0.22SC..Hα-helixtrans-65.4-45.4176.9-173-178.5-179.100111.1H74 L75 I79 T80 T81H74-E77 PolarHBondContact O-N 2.96Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 3.3Å; E77-I79 PolarHBondContact O-N 3.21Å; E77-T80 PolarHBondContact O-N 3.4Å; E77-T81 HydrophobicContact CG-CG2 3.68Å; E77-T81 VanDerWaalsContact O-CB 3.32Å; E77-T81 WeakPolarHBondContact O-CB 3.39Å; E77-T81 VanDerWaalsContact O-CG2 3.29Å; E77-T81 WeakPolarHBondContact O-CG2 3.26Å; E77-T81 PolarHBondContact O-N 2.6Å; E77-T81 PolarHBondContact O-OG1 2.94Å
78H98.5Very high94Very high32 Ų3244.2 Ų44.215%0.14823%0.231CC..Hα-helixtrans-61-34.3177.2-74.871.7000112.3H74 L75 N82 G109 I113H74-H78 PolarHBondContact O-N 3.2Å; H74-H78 PolarHBondContact O-ND1 2.99Å; L75-H78 PolarHBondContact O-N 3.19Å; H78-N82 PolarHBondContact O-ND2 3.18Å; H78-G109 WeakPolarHBondContact O-CA 3.46Å; H78-I113 HydrophobicContact CB-CB 4.14Å
79I98.4Very high91.8Very high0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-70-48.6175.3-67.9170.4000111.3L75 L76 E77 N82 F85 I106 F110 M138L75-I79 HydrophobicContact CD1-CD1 4.11Å; L75-I79 HydrophobicContact CD1-CG1 4.26Å; L75-I79 HydrophobicContact CD2-CD1 4.42Å; L75-I79 HydrophobicContact CG-CD1 3.85Å; L75-I79 HydrophobicContact CG-CG1 4.4Å; L75-I79 VanDerWaalsContact O-CG1 3.3Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.91Å; L76-I79 PolarHBondContact O-N 3.35Å; E77-I79 PolarHBondContact O-N 3.21Å; I79-N82 PolarHBondContact O-ND2 2.82Å; I79-F85 HydrophobicContact CG2-CD2 3.99Å; I79-F85 HydrophobicContact CG2-CE2 4.17Å; I79-F85 WeakPolarHBondContact O-CB 3.13Å; I79-F85 WeakPolarHBondContact O-CG 3.45Å; I79-I106 HydrophobicContact CD1-CG1 4.45Å; I79-I106 HydrophobicContact CD1-CG2 4.46Å; I79-I106 HydrophobicContact CG2-CB 4.4Å; I79-I106 HydrophobicContact CG2-CG1 3.68Å; I79-F110 HydrophobicContact CD1-CD2 4.38Å; I79-F110 HydrophobicContact CD1-CE2 4.06Å; I79-M138 HydrophobicContact CG2-CE 3.83Å
80T97.1Very high89.7Confident20 Ų2054.6 Ų54.612%0.12328%0.278CS..Hα-helixtrans-87.2-23.1-167.152.70000114I46 L50 L76 E77 F85 M138I46-T80 HydrophobicContact CG2-CG2 4.28Å; L50-T80 HydrophobicContact CD1-CG2 3.92Å; L76-T80 HydrophobicContact CD1-CG2 3.84Å; L76-T80 WeakPolarHBondContact O-CB 3.43Å; L76-T80 WeakPolarHBondContact O-CG2 3.47Å; L76-T80 PolarHBondContact O-N 3.19Å; L76-T80 PolarHBondContact O-OG1 2.79Å; E77-T80 PolarHBondContact O-N 3.4Å; T80-F85 HydrophobicContact CG2-CE1 4.26Å; T80-F85 HydrophobicContact CG2-CE2 4.46Å; T80-F85 HydrophobicContact CG2-CZ 4.15Å; T80-M138 HydrophobicContact CG2-CE 4.18Å
81T95.4Very high87.3Confident68 Ų6856.6 Ų56.642%0.41730%0.297SS..Hα-helixtrans-91.9-12.7-176.263.10000114E77 R86E77-T81 HydrophobicContact CG-CG2 3.68Å; E77-T81 VanDerWaalsContact O-CB 3.32Å; E77-T81 WeakPolarHBondContact O-CB 3.39Å; E77-T81 VanDerWaalsContact O-CG2 3.29Å; E77-T81 WeakPolarHBondContact O-CG2 3.26Å; E77-T81 PolarHBondContact O-N 2.6Å; E77-T81 PolarHBondContact O-OG1 2.94Å; T81-R86 WeakPolarHBondContact O-CD 3.43Å
82N96Very high84.8Confident6 Ų660.4 Ų60.43%0.03234%0.337CS..SBendtrans-74.9158.5-178.87565.9000113H78 I79 D84 F85 R86 G105 T108 G109 K112H78-N82 PolarHBondContact O-ND2 3.18Å; I79-N82 PolarHBondContact O-ND2 2.82Å; N82-D84 VanDerWaalsContact C-N 3.29Å; N82-D84 PolarHBondContact O-N 2.95Å; N82-D84 PolarHBondContact OD1-N 3.45Å; N82-F85 PolarHBondContact O-N 3.32Å; N82-F85 PolarHBondContact OD1-N 3.3Å; N82-R86 WeakPolarHBondContact O-CB 3.41Å; N82-R86 WeakPolarHBondContact O-CG 3.47Å; N82-R86 PolarHBondContact O-N 2.88Å; N82-G105 PolarHBondContact ND2-O 3.16Å; N82-T108 HydrophobicContact CB-CG2 4.12Å; N82-G109 PolarHBondContact ND2-N 3.1Å; N82-K112 HydrophobicContact CB-CD 4.4Å
83E94.8Very high82.6Confident111 Ų11162.2 Ų62.252%0.51935%0.349SS..THydrogen-bonded Turntrans-61.2-31.2-175.861-83.3-160.900114.1R86 A87 K112E83-R86 CarbonylContact O-C 3.55Å; E83-A87 WeakPolarHBondContact O-CA 3.44Å; E83-A87 WeakPolarHBondContact O-CB 3.29Å; E83-A87 PolarHBondContact O-N 3.31Å; E83-K112 IonicContact OE1-NZ 2.91Å; E83-K112 PolarHBondContact OE1-NZ 3.02Å; E83-K112 IonicContact OE2-NZ 3.52Å; E83-K112 PolarHBondContact OE2-NZ 2.98Å
84D95.4Very high80.5Confident53 Ų5363 Ų6328%0.28337%0.365SS..THydrogen-bonded Turntrans-77.4-39.3-177.7-65.4-40.8000111.1N82 R86 A87 S101 T104 T108N82-D84 VanDerWaalsContact C-N 3.29Å; N82-D84 PolarHBondContact O-N 2.95Å; N82-D84 PolarHBondContact OD1-N 3.45Å; D84-R86 VanDerWaalsContact C-N 3.34Å; D84-A87 WeakPolarHBondContact O-CB 3.4Å; D84-A87 PolarHBondContact O-N 3.28Å; D84-S101 WeakPolarHBondContact O-CB 3.47Å; D84-T104 HydrophobicContact CB-CG2 3.7Å; D84-T108 WeakPolarHBondContact OD2-CB 3.27Å; D84-T108 WeakPolarHBondContact OD2-CG2 3.29Å; D84-T108 PolarHBondContact OD2-OG1 2.68Å
85F93.9Very high78.8Confident6 Ų665.2 Ų65.23%0.02638%0.378CS..G310 helixtrans-64.1-43.1171.1-164.3-84.3000110.9L50 W53 I79 T80 N82 A87 P97 V102 M138L50-F85 HydrophobicContact CD1-CE1 3.77Å; L50-F85 HydrophobicContact CD1-CZ 4.1Å; L50-F85 HydrophobicContact CD2-CE1 4.5Å; W53-F85 HydrophobicContact CZ3-CZ 4.49Å; I79-F85 HydrophobicContact CG2-CD2 3.99Å; I79-F85 HydrophobicContact CG2-CE2 4.17Å; I79-F85 WeakPolarHBondContact O-CB 3.13Å; I79-F85 WeakPolarHBondContact O-CG 3.45Å; T80-F85 HydrophobicContact CG2-CE1 4.26Å; T80-F85 HydrophobicContact CG2-CE2 4.46Å; T80-F85 HydrophobicContact CG2-CZ 4.15Å; N82-F85 PolarHBondContact O-N 3.32Å; N82-F85 PolarHBondContact OD1-N 3.3Å; F85-A87 VanDerWaalsContact C-N 3.32Å; F85-A87 PolarHBondContact O-N 3.28Å; F85-P97 HydrophobicContact CD1-CG 4.37Å; F85-P97 HydrophobicContact CE1-CB 4.34Å; F85-P97 HydrophobicContact CE1-CG 3.7Å; F85-P97 HydrophobicContact CZ-CB 4.49Å; F85-P97 HydrophobicContact CZ-CG 4.11Å; F85-V102 HydrophobicContact CE2-CB 4.37Å; F85-V102 HydrophobicContact CE2-CG1 4.18Å; F85-V102 HydrophobicContact CE2-CG2 4.15Å; F85-V102 HydrophobicContact CZ-CG2 4.43Å; F85-M138 HydrophobicContact CE2-CE 4.43Å; F85-M138 HydrophobicContact CE2-SD 3.97Å; F85-M138 HydrophobicContact CZ-SD 4.17Å
86R87.6Confident77.7Confident139 Ų13969.8 Ų69.853%0.52540%0.4SS..G310 helixtrans-82.8-0.4-178.7-65-175.464.6-178.70.1114.4T81 N82 E83 D84 A88 D89T81-R86 WeakPolarHBondContact O-CD 3.43Å; N82-R86 WeakPolarHBondContact O-CB 3.41Å; N82-R86 WeakPolarHBondContact O-CG 3.47Å; N82-R86 PolarHBondContact O-N 2.88Å; E83-R86 CarbonylContact O-C 3.55Å; D84-R86 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.1Å; R86-D89 IonicContact NH2-OD2 2.86Å; R86-D89 PolarHBondContact NH2-OD2 3.23Å; R86-D89 WeakPolarHBondContact O-CB 3.19Å; R86-D89 PolarHBondContact O-N 2.89Å
87A71.6Confident77.1Confident45 Ų4569.8 Ų69.837%0.37240%0.401SS..G310 helixtrans-58.4-16.9-172.800000114.1E83 D84 F85 D89E83-A87 WeakPolarHBondContact O-CA 3.44Å; E83-A87 WeakPolarHBondContact O-CB 3.29Å; E83-A87 PolarHBondContact O-N 3.31Å; D84-A87 WeakPolarHBondContact O-CB 3.4Å; D84-A87 PolarHBondContact O-N 3.28Å; F85-A87 VanDerWaalsContact C-N 3.32Å; F85-A87 PolarHBondContact O-N 3.28Å; A87-D89 VanDerWaalsContact C-N 3.28Å; A87-D89 PolarHBondContact O-N 2.91Å
88A58.2Low76.8Confident28 Ų2867.2 Ų67.223%0.23140%0.395CS..G310 helixtrans-68.8-16173.700000114.8R86 K90R86-A88 PolarHBondContact O-N 3.1Å; A88-K90 PolarHBondContact O-N 3.39Å; A88-K90 VanDerWaalsContact O-N 3.12Å
89D53.7Low76.6Confident97 Ų9767.9 Ų67.952%0.51940%0.402SS..G310 helixtrans-74.7-0.8-172.9-145.22.3000113.8R86 A87 S91R86-D89 IonicContact NH2-OD2 2.86Å; R86-D89 PolarHBondContact NH2-OD2 3.23Å; R86-D89 WeakPolarHBondContact O-CB 3.19Å; R86-D89 PolarHBondContact O-N 2.89Å; A87-D89 VanDerWaalsContact C-N 3.28Å; A87-D89 PolarHBondContact O-N 2.91Å; D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.04Å
90K53.6Low76.5Confident198 Ų19873.9 Ų73.986%0.86143%0.43SS*.G310 helixtrans-74.9-5.4-174.7-68.9-174.3-178.9175.20115.1A88A88-K90 PolarHBondContact O-N 3.39Å; A88-K90 VanDerWaalsContact O-N 3.12Å
91S48.6Very low76.4Confident79 Ų7973.8 Ų73.855%0.55243%0.43SS*.G310 helixtrans-112.311.7-178.173.20000115.6D89 S93 L95D89-S91 VanDerWaalsContact C-N 3.27Å; D89-S91 PolarHBondContact O-N 3.04Å; S91-S93 PolarHBondContact O-N 2.81Å; S91-L95 VanDerWaalsContact OG-CD1 3.31Å; S91-L95 WeakPolarHBondContact OG-CD1 3.44Å
92G47.4Very low76.5Confident81 Ų8170.5 Ų70.584%0.83541%0.41SS*.SBendtrans65.312.2171.200000115.4
93S50.9Low76.7Confident60 Ų6073 Ų7342%0.4242%0.42SS..SBendtrans-120.6134.8173.31510000107.1S91 L95S91-S93 PolarHBondContact O-N 2.81Å; S93-L95 PolarHBondContact O-N 3.18Å; S93-L95 WeakPolarHBondContact OG-CG 3.45Å
94A55.1Low76.8Confident109 Ų10969.8 Ų69.890%0.90141%0.408SS*.  trans-65.768.5174.200000110.7
95L63.3Low76.9Confident103 Ų10367.2 Ų67.254%0.53939%0.394SS..PPolyproline II helixtrans-80.7130175.4-80.6147.5000107.9S91 S93S91-L95 VanDerWaalsContact OG-CD1 3.31Å; S91-L95 WeakPolarHBondContact OG-CD1 3.44Å; S93-L95 PolarHBondContact O-N 3.18Å; S93-L95 WeakPolarHBondContact OG-CG 3.45Å
96E75.4Confident77.2Confident97 Ų9767 Ų6745%0.45339%0.393SS..PPolyproline II helixtrans-51.7143.1169.6-66.9-157.9132.400110.1W53 S98W53-E96 PolarHBondContact NE1-OE1 3.35Å; E96-S98 PolarHBondContact O-N 2.75Å
97P85.6Confident77.7Confident22 Ų2264.7 Ų64.714%0.14339%0.385CS..PPolyproline II helixtrans-53.7135.7176.2-24.833.3000111.3L50 F85 V102L50-P97 HydrophobicContact CD2-CG 4.33Å; F85-P97 HydrophobicContact CD1-CG 4.37Å; F85-P97 HydrophobicContact CE1-CB 4.34Å; F85-P97 HydrophobicContact CE1-CG 3.7Å; F85-P97 HydrophobicContact CZ-CB 4.49Å; F85-P97 HydrophobicContact CZ-CG 4.11Å; P97-V102 HydrophobicContact CB-CG2 3.73Å
98S92.3Very high79Confident58 Ų5863.3 Ų63.341%0.40637%0.372SS..PPolyproline II helixtrans-65.8156173.478.60000110.8E96 E100 S101 V102E96-S98 PolarHBondContact O-N 2.75Å; S98-E100 PolarHBondContact O-N 2.89Å; S98-S101 WeakPolarHBondContact O-CB 3.25Å; S98-S101 PolarHBondContact O-N 2.87Å; S98-S101 WeakPolarHBondContact OG-CB 3.24Å; S98-S101 PolarHBondContact OG-N 3.34Å; S98-S101 VanDerWaalsContact OG-N 3.11Å; S98-S101 PolarHBondContact OG-OG 2.99Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.18Å
99V95.3Very high81Confident46 Ų4662 Ų6228%0.27936%0.361SS..Hα-helixtrans-50.2-43.4174.7169.30000111.4V102 K103 Y145 E228V99-V102 PolarHBondContact O-N 3.31Å; V99-K103 HydrophobicContact CG1-CD 3.89Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 2.88Å; V99-Y145 HydrophobicContact CG1-CE1 4.27Å; V99-Y145 HydrophobicContact CG2-CE1 4.46Å; V99-E228 HydrophobicContact CG1-CB 4.15Å; V99-E228 HydrophobicContact CG1-CG 3.89Å
100E95.8Very high83.1Confident126 Ų12657.5 Ų57.559%0.58934%0.336SS*.Hα-helixtrans-67.3-41.2179.8-170.357.5-151.200112.3S98 V102 K103 T104S98-E100 PolarHBondContact O-N 2.89Å; E100-V102 VanDerWaalsContact C-N 3.32Å; E100-V102 PolarHBondContact O-N 3.45Å; E100-K103 PolarHBondContact O-N 3.04Å; E100-T104 VanDerWaalsContact O-CB 3.32Å; E100-T104 WeakPolarHBondContact O-CB 3.37Å; E100-T104 PolarHBondContact O-N 3.09Å; E100-T104 PolarHBondContact O-OG1 2.99Å; E100-T104 PolarHBondContact OE1-OG1 3.3Å
101S95.5Very high85.3Confident17 Ų1749.8 Ų49.812%0.11931%0.305CS..Hα-helixtrans-61.7-40.5174.5-57.20000111.6D84 S98 G105D84-S101 WeakPolarHBondContact O-CB 3.47Å; S98-S101 WeakPolarHBondContact O-CB 3.25Å; S98-S101 PolarHBondContact O-N 2.87Å; S98-S101 WeakPolarHBondContact OG-CB 3.24Å; S98-S101 PolarHBondContact OG-N 3.34Å; S98-S101 VanDerWaalsContact OG-N 3.11Å; S98-S101 PolarHBondContact OG-OG 2.99Å; S101-G105 WeakPolarHBondContact O-CA 3.35Å; S101-G105 PolarHBondContact O-N 2.86Å
102V97.3Very high87.6Confident0 Ų050 Ų500%030%0.295CS..Hα-helixtrans-64.2-50.4175.81770000110.6W53 F85 P97 S98 V99 E100 T104 G105 I106 M138 Y145W53-V102 HydrophobicContact CH2-CG2 3.76Å; W53-V102 HydrophobicContact CZ3-CG2 4.1Å; F85-V102 HydrophobicContact CE2-CB 4.37Å; F85-V102 HydrophobicContact CE2-CG1 4.18Å; F85-V102 HydrophobicContact CE2-CG2 4.15Å; F85-V102 HydrophobicContact CZ-CG2 4.43Å; P97-V102 HydrophobicContact CB-CG2 3.73Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.18Å; V99-V102 PolarHBondContact O-N 3.31Å; E100-V102 VanDerWaalsContact C-N 3.32Å; E100-V102 PolarHBondContact O-N 3.45Å; V102-T104 PolarHBondContact O-N 3.23Å; V102-G105 PolarHBondContact O-N 2.83Å; V102-I106 HydrophobicContact CG1-CD1 3.64Å; V102-I106 HydrophobicContact CG1-CG1 4.42Å; V102-I106 WeakPolarHBondContact O-CB 3.43Å; V102-I106 WeakPolarHBondContact O-CD1 3.45Å; V102-I106 VanDerWaalsContact O-CG1 3.23Å; V102-I106 WeakPolarHBondContact O-CG1 3.47Å; V102-I106 PolarHBondContact O-N 3.25Å; V102-M138 HydrophobicContact CG1-SD 4.37Å; V102-Y145 HydrophobicContact CB-CD1 4.31Å; V102-Y145 HydrophobicContact CB-CE1 3.92Å; V102-Y145 HydrophobicContact CB-CE2 4.43Å; V102-Y145 HydrophobicContact CG1-CD1 3.66Å; V102-Y145 HydrophobicContact CG1-CD2 3.8Å; V102-Y145 HydrophobicContact CG1-CE1 3.73Å; V102-Y145 HydrophobicContact CG1-CE2 3.87Å; V102-Y145 HydrophobicContact CG1-CG 3.7Å; V102-Y145 HydrophobicContact CG2-CE1 4.44Å; V102-Y145 HydrophobicContact CG2-CE2 4.3Å
103K98.6Very high90.1Very high59 Ų5946.1 Ų46.126%0.25726%0.256SS..Hα-helixtrans-61.6-45.9-179.3-68.7174.181.5160.80111.8V99 E100 I106 R107 V226 E228V99-K103 HydrophobicContact CG1-CD 3.89Å; V99-K103 WeakPolarHBondContact O-CG 3.48Å; V99-K103 PolarHBondContact O-N 2.88Å; E100-K103 PolarHBondContact O-N 3.04Å; K103-I106 PolarHBondContact O-N 3.28Å; K103-R107 PolarHBondContact O-N 3.12Å; K103-R107 VanDerWaalsContact O-N 3.08Å; K103-V226 WeakPolarHBondContact CE-O 3.15Å; K103-V226 HydrophobicContact CG-CB 4.32Å; K103-V226 HydrophobicContact CG-CG1 3.89Å; K103-E228 IonicContact NZ-OE2 2.87Å; K103-E228 PolarHBondContact NZ-OE2 2.76Å
104T98.1Very high92.4Very high42 Ų4243.5 Ų43.526%0.25824%0.237SC..Hα-helixtrans-67.8-42.1178.1-52.70000111D84 E100 V102 I106 R107 T108D84-T104 HydrophobicContact CB-CG2 3.7Å; E100-T104 VanDerWaalsContact O-CB 3.32Å; E100-T104 WeakPolarHBondContact O-CB 3.37Å; E100-T104 PolarHBondContact O-N 3.09Å; E100-T104 PolarHBondContact O-OG1 2.99Å; E100-T104 PolarHBondContact OE1-OG1 3.3Å; V102-T104 PolarHBondContact O-N 3.23Å; T104-I106 PolarHBondContact O-N 3.11Å; T104-R107 WeakPolarHBondContact O-CB 3.47Å; T104-R107 PolarHBondContact O-N 2.97Å; T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3.44Å; T104-T108 PolarHBondContact O-OG1 2.85Å
105G98.3Very high94.4Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-62.1-39.1176.800000113.2N82 S101 V102 G109N82-G105 PolarHBondContact ND2-O 3.16Å; S101-G105 WeakPolarHBondContact O-CA 3.35Å; S101-G105 PolarHBondContact O-N 2.86Å; V102-G105 PolarHBondContact O-N 2.83Å; G105-G109 PolarHBondContact O-N 3.01Å
106I98.8Very high96Very high0 Ų043.2 Ų43.20%021%0.21CC..Hα-helixtrans-62.7-51.7172.5-70.1158.5000110I79 V102 K103 T104 T108 G109 F110 I147 P224 V226I79-I106 HydrophobicContact CD1-CG1 4.45Å; I79-I106 HydrophobicContact CD1-CG2 4.46Å; I79-I106 HydrophobicContact CG2-CB 4.4Å; I79-I106 HydrophobicContact CG2-CG1 3.68Å; V102-I106 HydrophobicContact CG1-CD1 3.64Å; V102-I106 HydrophobicContact CG1-CG1 4.42Å; V102-I106 WeakPolarHBondContact O-CB 3.43Å; V102-I106 WeakPolarHBondContact O-CD1 3.45Å; V102-I106 VanDerWaalsContact O-CG1 3.23Å; V102-I106 WeakPolarHBondContact O-CG1 3.47Å; V102-I106 PolarHBondContact O-N 3.25Å; K103-I106 PolarHBondContact O-N 3.28Å; T104-I106 PolarHBondContact O-N 3.11Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 3.35Å; I106-G109 PolarHBondContact O-N 3.38Å; I106-G109 VanDerWaalsContact O-N 3.16Å; I106-F110 HydrophobicContact CG2-CD2 4.02Å; I106-F110 HydrophobicContact CG2-CE2 3.95Å; I106-F110 VanDerWaalsContact O-CD2 3.31Å; I106-F110 WeakPolarHBondContact O-CD2 3.39Å; I106-F110 PolarHBondContact O-N 2.89Å; I106-I147 HydrophobicContact CD1-CD1 3.61Å; I106-I147 HydrophobicContact CD1-CG1 3.93Å; I106-I147 HydrophobicContact CG1-CD1 3.92Å; I106-I147 HydrophobicContact CG2-CD1 3.9Å; I106-I147 HydrophobicContact CG2-CG1 4.06Å; I106-I147 HydrophobicContact CG2-CG2 3.76Å; I106-P224 HydrophobicContact CG2-CG 4.04Å; I106-V226 HydrophobicContact CB-CG2 4.04Å; I106-V226 HydrophobicContact CD1-CG1 3.79Å; I106-V226 HydrophobicContact CD1-CG2 4.35Å; I106-V226 HydrophobicContact CG2-CG2 3.56Å
107R98.9Very high97.1Very high92 Ų9238.6 Ų38.635%0.34719%0.189SC..Hα-helixtrans-54.3-50.5177.4-177.9-174.4179.8-81.1-7.3111.4K103 T104 G109 F110 L111 E223K103-R107 PolarHBondContact O-N 3.12Å; K103-R107 VanDerWaalsContact O-N 3.08Å; T104-R107 WeakPolarHBondContact O-CB 3.47Å; T104-R107 PolarHBondContact O-N 2.97Å; R107-G109 VanDerWaalsContact C-N 3.34Å; R107-G109 PolarHBondContact O-N 2.97Å; R107-F110 PolarHBondContact O-N 2.83Å; R107-L111 WeakPolarHBondContact O-CG 3.33Å; R107-L111 PolarHBondContact O-N 3.47Å; R107-L111 VanDerWaalsContact O-N 3.09Å; R107-E223 HydrophobicContact CG-CG 4.44Å; R107-E223 IonicContact CZ-OE1 2.91Å; R107-E223 IonicContact NE-OE1 2.79Å; R107-E223 PolarHBondContact NE-OE1 2.94Å; R107-E223 IonicContact NH2-OE1 3.61Å; R107-E223 PolarHBondContact NH2-OE1 3.07Å
108T98.8Very high97.5Very high16 Ų1640.5 Ų40.510%0.09819%0.193CC..Hα-helixtrans-62.9-39.6179.2-67.10000111.8N82 D84 T104 I106 F110 L111 K112N82-T108 HydrophobicContact CB-CG2 4.12Å; D84-T108 WeakPolarHBondContact OD2-CB 3.27Å; D84-T108 WeakPolarHBondContact OD2-CG2 3.29Å; D84-T108 PolarHBondContact OD2-OG1 2.68Å; T104-T108 WeakPolarHBondContact O-CB 3.43Å; T104-T108 PolarHBondContact O-N 3.44Å; T104-T108 PolarHBondContact O-OG1 2.85Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 3.35Å; T108-F110 PolarHBondContact O-N 3.4Å; T108-L111 PolarHBondContact O-N 3.45Å; T108-K112 HydrophobicContact CG2-CD 3.88Å; T108-K112 HydrophobicContact CG2-CG 4.16Å; T108-K112 WeakPolarHBondContact O-CB 3.36Å; T108-K112 VanDerWaalsContact O-CG 3.32Å; T108-K112 WeakPolarHBondContact O-CG 3.47Å; T108-K112 PolarHBondContact O-N 3.28Å
109G98.8Very high97.5Very high0 Ų042.3 Ų42.30%020%0.198CC..Hα-helixtrans-58.5-45.5175.200000112.8H78 N82 G105 I106 R107 K112 I113H78-G109 WeakPolarHBondContact O-CA 3.46Å; N82-G109 PolarHBondContact ND2-N 3.1Å; G105-G109 PolarHBondContact O-N 3.01Å; I106-G109 PolarHBondContact O-N 3.38Å; I106-G109 VanDerWaalsContact O-N 3.16Å; R107-G109 VanDerWaalsContact C-N 3.34Å; R107-G109 PolarHBondContact O-N 2.97Å; G109-K112 PolarHBondContact O-N 2.87Å; G109-I113 WeakPolarHBondContact O-CG2 3.45Å; G109-I113 PolarHBondContact O-N 3.17Å
110F98.9Very high97.2Very high2 Ų241.7 Ų41.71%0.00919%0.191CC..Hα-helixtrans-63.2-45.6175.8-88.6-109.5000112.7L75 I79 I106 R107 T108 K112 I113 D114 A134 I147 C149 L202 P224L75-F110 HydrophobicContact CD1-CD2 3.87Å; L75-F110 HydrophobicContact CD1-CE2 3.92Å; L75-F110 HydrophobicContact CD1-CG 4.31Å; L75-F110 HydrophobicContact CD1-CZ 4.37Å; L75-F110 HydrophobicContact CD2-CE1 4.45Å; L75-F110 HydrophobicContact CD2-CE2 3.86Å; L75-F110 HydrophobicContact CD2-CZ 3.77Å; L75-F110 HydrophobicContact CG-CE2 4.33Å; I79-F110 HydrophobicContact CD1-CD2 4.38Å; I79-F110 HydrophobicContact CD1-CE2 4.06Å; I106-F110 HydrophobicContact CG2-CD2 4.02Å; I106-F110 HydrophobicContact CG2-CE2 3.95Å; I106-F110 VanDerWaalsContact O-CD2 3.31Å; I106-F110 WeakPolarHBondContact O-CD2 3.39Å; I106-F110 PolarHBondContact O-N 2.89Å; R107-F110 PolarHBondContact O-N 2.83Å; T108-F110 PolarHBondContact O-N 3.4Å; F110-K112 PolarHBondContact O-N 3.25Å; F110-I113 WeakPolarHBondContact O-CG2 3.38Å; F110-D114 WeakPolarHBondContact O-CB 3.31Å; F110-D114 PolarHBondContact O-N 2.99Å; F110-D114 VanDerWaalsContact O-N 3.1Å; F110-A134 HydrophobicContact CE1-CB 3.87Å; F110-A134 HydrophobicContact CZ-CB 3.94Å; F110-I147 HydrophobicContact CE2-CG2 3.61Å; F110-I147 HydrophobicContact CZ-CG2 3.61Å; F110-C149 HydrophobicContact CD1-CB 4.18Å; F110-C149 HydrophobicContact CE1-CB 3.65Å; F110-L202 HydrophobicContact CD1-CD1 4.08Å; F110-L202 HydrophobicContact CD1-CD2 4.03Å; F110-L202 HydrophobicContact CD1-CG 4.2Å; F110-L202 HydrophobicContact CE1-CD1 4.15Å; F110-P224 HydrophobicContact CB-CG 3.91Å; F110-P224 HydrophobicContact CD1-CB 3.96Å; F110-P224 HydrophobicContact CD1-CG 4.04Å; F110-P224 HydrophobicContact CD2-CB 4.1Å; F110-P224 HydrophobicContact CD2-CG 3.69Å; F110-P224 HydrophobicContact CE1-CB 3.98Å; F110-P224 HydrophobicContact CE1-CG 4.48Å; F110-P224 HydrophobicContact CE2-CB 4.1Å; F110-P224 HydrophobicContact CE2-CG 4.16Å; F110-P224 HydrophobicContact CG-CB 4.02Å; F110-P224 HydrophobicContact CG-CG 3.61Å; F110-P224 HydrophobicContact CZ-CB 4.04Å
111L98.9Very high96.2Very high37 Ų3739.2 Ų39.219%0.19419%0.188CC..Hα-helixtrans-65.1-40.3178.2-61.7-174.7000111.9R107 T108 E115 T216 P222R107-L111 WeakPolarHBondContact O-CG 3.33Å; R107-L111 PolarHBondContact O-N 3.47Å; R107-L111 VanDerWaalsContact O-N 3.09Å; T108-L111 PolarHBondContact O-N 3.45Å; L111-E115 PolarHBondContact O-N 3.01Å; L111-E115 VanDerWaalsContact O-N 3.16Å; L111-T216 HydrophobicContact CD1-CG2 4.37Å; L111-T216 HydrophobicContact CD2-CG2 3.78Å; L111-P222 HydrophobicContact CD2-CB 4.44Å; L111-P222 HydrophobicContact CD2-CG 3.73Å
112K98.7Very high95.3Very high82 Ų8239.5 Ų39.536%0.35719%0.188SC..Hα-helixtrans-69-44.1179.9-75.7-172.5178.3-1700112.4N82 E83 T108 G109 F110 D114 E115 Y116N82-K112 HydrophobicContact CB-CD 4.4Å; E83-K112 IonicContact OE1-NZ 2.91Å; E83-K112 PolarHBondContact OE1-NZ 3.02Å; E83-K112 IonicContact OE2-NZ 3.52Å; E83-K112 PolarHBondContact OE2-NZ 2.98Å; T108-K112 HydrophobicContact CG2-CD 3.88Å; T108-K112 HydrophobicContact CG2-CG 4.16Å; T108-K112 WeakPolarHBondContact O-CB 3.36Å; T108-K112 VanDerWaalsContact O-CG 3.32Å; T108-K112 WeakPolarHBondContact O-CG 3.47Å; T108-K112 PolarHBondContact O-N 3.28Å; G109-K112 PolarHBondContact O-N 2.87Å; F110-K112 PolarHBondContact O-N 3.25Å; K112-D114 VanDerWaalsContact C-N 3.34Å; K112-E115 PolarHBondContact O-N 2.87Å; K112-Y116 VanDerWaalsContact O-CB 3.25Å; K112-Y116 WeakPolarHBondContact O-CB 3.38Å; K112-Y116 PolarHBondContact O-N 2.96Å
113I98.8Very high94.4Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-67.4-36.7178.8-164.1170.8000111.4Y70 H74 L75 H78 G109 F110 Y116 M117 L202Y70-I113 HydrophobicContact CD1-CD1 3.94Å; Y70-I113 HydrophobicContact CD1-CG1 4.08Å; Y70-I113 HydrophobicContact CE1-CD1 3.94Å; Y70-I113 HydrophobicContact CE1-CG1 3.86Å; H74-I113 HydrophobicContact CB-CD1 4.17Å; L75-I113 HydrophobicContact CB-CD1 4.1Å; L75-I113 HydrophobicContact CD1-CD1 4.34Å; L75-I113 HydrophobicContact CD1-CG2 3.81Å; H78-I113 HydrophobicContact CB-CB 4.14Å; G109-I113 WeakPolarHBondContact O-CG2 3.45Å; G109-I113 PolarHBondContact O-N 3.17Å; F110-I113 WeakPolarHBondContact O-CG2 3.38Å; I113-Y116 PolarHBondContact O-N 3.5Å; I113-M117 HydrophobicContact CG1-CE 4.16Å; I113-M117 HydrophobicContact CG1-CG 4.36Å; I113-M117 HydrophobicContact CG1-SD 4.48Å; I113-M117 WeakPolarHBondContact O-CB 3.47Å; I113-M117 WeakPolarHBondContact O-CG 3.47Å; I113-M117 PolarHBondContact O-N 3.2Å; I113-L202 HydrophobicContact CG2-CD1 4.15Å; I113-L202 HydrophobicContact CG2-CD2 3.96Å
114D98.7Very high93.4Very high5 Ų544.5 Ų44.53%0.02721%0.206CC..Hα-helixtrans-62.8-46.1177.1-163.355.8000111.5F110 K112 R118 L202 G203 Y205 K208 P222F110-D114 WeakPolarHBondContact O-CB 3.31Å; F110-D114 PolarHBondContact O-N 2.99Å; F110-D114 VanDerWaalsContact O-N 3.1Å; K112-D114 VanDerWaalsContact C-N 3.34Å; D114-R118 PolarHBondContact O-N 3.07Å; D114-R118 VanDerWaalsContact O-N 3.09Å; D114-L202 HydrophobicContact CB-CD2 3.71Å; D114-L202 WeakPolarHBondContact OD1-CA 3.24Å; D114-G203 PolarHBondContact OD1-N 3.44Å; D114-Y205 WeakPolarHBondContact O-CE1 3.26Å; D114-Y205 PolarHBondContact O-OH 3.41Å; D114-K208 IonicContact OD1-NZ 3.79Å; D114-K208 PolarHBondContact OD1-NZ 3.34Å; D114-K208 IonicContact OD2-NZ 3.34Å; D114-K208 PolarHBondContact OD2-NZ 2.94Å; D114-P222 HydrophobicContact CB-CB 3.86Å; D114-P222 HydrophobicContact CB-CG 4.33Å; D114-P222 WeakPolarHBondContact OD2-CB 3.48Å; D114-P222 WeakPolarHBondContact OD2-CG 3.43Å
115E97.8Very high92.6Very high89 Ų8947.7 Ų47.742%0.41622%0.222SC..Hα-helixtrans-69.8-34.3176.6-17458.4-153.700112L111 K112 R118 N119L111-E115 PolarHBondContact O-N 3.01Å; L111-E115 VanDerWaalsContact O-N 3.16Å; K112-E115 PolarHBondContact O-N 2.87Å; E115-R118 WeakPolarHBondContact O-CB 3.22Å; E115-R118 PolarHBondContact O-N 3.32Å; E115-R118 IonicContact OE2-CZ 3.75Å; E115-R118 IonicContact OE2-NE 3.82Å; E115-R118 IonicContact OE2-NH1 3.01Å; E115-R118 PolarHBondContact OE2-NH1 3.01Å; E115-N119 PolarHBondContact O-ND2 2.6Å
116Y97.8Very high91.7Very high118 Ų11848.8 Ų48.846%0.46323%0.233SC..Hα-helixtrans-61.8-51174.1-179.5-90.2000111.2Y70 K112 I113 R118 N119 F120Y70-Y116 AromaticContact CE1-CD1 3.9Å; Y70-Y116 HydrophobicContact CE1-CD1 3.9Å; Y70-Y116 HydrophobicContact CE1-CE1 4.09Å; Y70-Y116 HydrophobicContact CE2-CE1 4.26Å; Y70-Y116 AromaticContact CZ-CD1 3.83Å; Y70-Y116 AromaticContact CZ-CE1 3.51Å; Y70-Y116 WeakPolarHBondContact OH-CD1 3.42Å; Y70-Y116 WeakPolarHBondContact OH-CE1 3.49Å; K112-Y116 VanDerWaalsContact O-CB 3.25Å; K112-Y116 WeakPolarHBondContact O-CB 3.38Å; K112-Y116 PolarHBondContact O-N 2.96Å; I113-Y116 PolarHBondContact O-N 3.5Å; Y116-R118 VanDerWaalsContact C-N 3.27Å; Y116-R118 PolarHBondContact O-N 2.83Å; Y116-N119 WeakPolarHBondContact O-CB 3.38Å; Y116-N119 PolarHBondContact O-N 2.86Å; Y116-N119 VanDerWaalsContact O-N 3.12Å; Y116-F120 AromaticContact CD1-CE1 3.8Å; Y116-F120 HydrophobicContact CD1-CE1 3.8Å; Y116-F120 AromaticContact CD1-CZ 3.87Å; Y116-F120 HydrophobicContact CD1-CZ 3.87Å; Y116-F120 AromaticContact CE1-CE1 3.38Å; Y116-F120 HydrophobicContact CE1-CE1 3.38Å; Y116-F120 AromaticContact CE1-CZ 3.61Å; Y116-F120 HydrophobicContact CE1-CZ 3.61Å
117M97.9Very high91Very high0 Ų056.4 Ų56.40%027%0.271CS..Hα-helixtrans-65.7-28.3-179.7-72.2-170.6-64.600112.9V67 Y70 I113 N119 F120 L123 L202 Y205V67-M117 HydrophobicContact CG1-CE 3.91Å; V67-M117 HydrophobicContact CG1-SD 4.17Å; V67-M117 HydrophobicContact CG2-SD 4.44Å; Y70-M117 HydrophobicContact CD1-CG 3.42Å; Y70-M117 VanDerWaalsContact CD1-CG 3.42Å; Y70-M117 HydrophobicContact CD1-SD 3.41Å; Y70-M117 WeakPolarHBondContact CD1-SD 3.49Å; Y70-M117 HydrophobicContact CE1-CG 3.82Å; Y70-M117 HydrophobicContact CE1-SD 4.34Å; Y70-M117 HydrophobicContact CG-CG 4.1Å; Y70-M117 HydrophobicContact CG-SD 3.92Å; I113-M117 HydrophobicContact CG1-CE 4.16Å; I113-M117 HydrophobicContact CG1-CG 4.36Å; I113-M117 HydrophobicContact CG1-SD 4.48Å; I113-M117 WeakPolarHBondContact O-CB 3.47Å; I113-M117 WeakPolarHBondContact O-CG 3.47Å; I113-M117 PolarHBondContact O-N 3.2Å; M117-N119 PolarHBondContact O-N 3.28Å; M117-N119 VanDerWaalsContact O-N 3.07Å; M117-F120 HydrophobicContact CB-CD2 4.14Å; M117-F120 HydrophobicContact CB-CE2 3.9Å; M117-F120 HydrophobicContact CB-CZ 4.31Å; M117-F120 HydrophobicContact CG-CD2 4.27Å; M117-F120 HydrophobicContact CG-CE2 3.54Å; M117-F120 HydrophobicContact CG-CZ 3.84Å; M117-F120 VanDerWaalsContact O-CB 3.29Å; M117-F120 WeakPolarHBondContact O-CB 3.23Å; M117-F120 VanDerWaalsContact O-CG 3.28Å; M117-F120 WeakPolarHBondContact O-CG 3.36Å; M117-F120 PolarHBondContact O-N 2.94Å; M117-F120 HydrophobicContact SD-CE2 4.44Å; M117-L123 HydrophobicContact CB-CD1 4.41Å; M117-L202 HydrophobicContact CE-CB 4.07Å; M117-Y205 VanDerWaalsContact C-OH 3.27Å; M117-Y205 WeakPolarHBondContact CB-OH 3.4Å
118R94.6Very high90.7Very high62 Ų6253.5 Ų53.523%0.23426%0.262CS..Hα-helixtrans-56.7-25.4173.6-179.9176.5-85174.7-20.8112.7D114 E115 Y116 F120 R124 Y205 K208D114-R118 PolarHBondContact O-N 3.07Å; D114-R118 VanDerWaalsContact O-N 3.09Å; E115-R118 WeakPolarHBondContact O-CB 3.22Å; E115-R118 PolarHBondContact O-N 3.32Å; E115-R118 IonicContact OE2-CZ 3.75Å; E115-R118 IonicContact OE2-NE 3.82Å; E115-R118 IonicContact OE2-NH1 3.01Å; E115-R118 PolarHBondContact OE2-NH1 3.01Å; Y116-R118 VanDerWaalsContact C-N 3.27Å; Y116-R118 PolarHBondContact O-N 2.83Å; R118-F120 VanDerWaalsContact C-N 3.34Å; R118-R124 WeakPolarHBondContact O-CB 3.29Å; R118-Y205 VanDerWaalsContact CA-CZ 3.49Å; R118-Y205 HydrophobicContact CB-CD1 4.04Å; R118-Y205 HydrophobicContact CB-CE1 3.65Å; R118-Y205 HydrophobicContact CB-CE2 4.26Å; R118-Y205 HydrophobicContact CB-CG 4.5Å; R118-Y205 HydrophobicContact CG-CD1 4.12Å; R118-Y205 HydrophobicContact CG-CE1 4.25Å; R118-Y205 HydrophobicContact CG-CG 4.37Å; R118-Y205 PolarHBondContact N-OH 2.82Å; R118-K208 PolarHBondContact NH2-O 2.89Å
119N91.2Very high90.5Very high96 Ų9659.8 Ų59.851%0.51328%0.284SS..THydrogen-bonded Turntrans-82.6-6.6178.4-67.4-63.7000114.1E115 Y116 M117 S121E115-N119 PolarHBondContact O-ND2 2.6Å; Y116-N119 WeakPolarHBondContact O-CB 3.38Å; Y116-N119 PolarHBondContact O-N 2.86Å; Y116-N119 VanDerWaalsContact O-N 3.12Å; M117-N119 PolarHBondContact O-N 3.28Å; M117-N119 VanDerWaalsContact O-N 3.07Å; N119-S121 PolarHBondContact O-N 3.03Å
120F89.3Confident90.4Very high32 Ų3259.8 Ų59.814%0.1428%0.284CS..SBendtrans-63.7131.9174.4-63.3-13.2000110.4Y70 Y116 M117 R118 D122 L123 R124Y70-F120 HydrophobicContact CD1-CE2 4.31Å; Y70-F120 HydrophobicContact CD1-CZ 4.22Å; Y70-F120 AromaticContact CD2-CE2 3.86Å; Y70-F120 HydrophobicContact CD2-CE2 3.86Å; Y70-F120 AromaticContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CD2-CZ 3.71Å; Y70-F120 HydrophobicContact CE1-CZ 4.07Å; Y70-F120 HydrophobicContact CE2-CE2 4.21Å; Y70-F120 AromaticContact CE2-CZ 3.57Å; Y70-F120 HydrophobicContact CE2-CZ 3.57Å; Y70-F120 AromaticContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CE2 3.93Å; Y70-F120 HydrophobicContact CG-CZ 4.04Å; Y70-F120 AromaticContact CZ-CZ 3.78Å; Y116-F120 AromaticContact CD1-CE1 3.8Å; Y116-F120 HydrophobicContact CD1-CE1 3.8Å; Y116-F120 AromaticContact CD1-CZ 3.87Å; Y116-F120 HydrophobicContact CD1-CZ 3.87Å; Y116-F120 AromaticContact CE1-CE1 3.38Å; Y116-F120 HydrophobicContact CE1-CE1 3.38Å; Y116-F120 AromaticContact CE1-CZ 3.61Å; Y116-F120 HydrophobicContact CE1-CZ 3.61Å; M117-F120 HydrophobicContact CB-CD2 4.14Å; M117-F120 HydrophobicContact CB-CE2 3.9Å; M117-F120 HydrophobicContact CB-CZ 4.31Å; M117-F120 HydrophobicContact CG-CD2 4.27Å; M117-F120 HydrophobicContact CG-CE2 3.54Å; M117-F120 HydrophobicContact CG-CZ 3.84Å; M117-F120 VanDerWaalsContact O-CB 3.29Å; M117-F120 WeakPolarHBondContact O-CB 3.23Å; M117-F120 VanDerWaalsContact O-CG 3.28Å; M117-F120 WeakPolarHBondContact O-CG 3.36Å; M117-F120 PolarHBondContact O-N 2.94Å; M117-F120 HydrophobicContact SD-CE2 4.44Å; R118-F120 VanDerWaalsContact C-N 3.34Å; F120-D122 VanDerWaalsContact C-N 3.3Å; F120-D122 PolarHBondContact O-N 3.27Å; F120-L123 HydrophobicContact CB-CB 4.21Å; F120-L123 HydrophobicContact CB-CD1 4.06Å; F120-L123 HydrophobicContact CB-CG 4.37Å; F120-L123 HydrophobicContact CD2-CD1 3.65Å; F120-L123 HydrophobicContact CG-CD1 4.29Å; F120-L123 PolarHBondContact O-N 3.47Å; F120-R124 WeakPolarHBondContact O-CB 3.49Å; F120-R124 PolarHBondContact O-N 3.22Å
121S73.9Confident90.4Very high74 Ų7459.7 Ų59.752%0.51728%0.283SS..Hα-helixtrans-60.3-37.6-167.952.90000114N119 N125N119-S121 PolarHBondContact O-N 3.03Å; S121-N125 WeakPolarHBondContact O-CB 3.26Å; S121-N125 PolarHBondContact O-N 3.24Å; S121-N125 PolarHBondContact O-ND2 3.24Å
122D76.3Confident90.4Very high23 Ų2358 Ų5812%0.12327%0.274CS..Hα-helixtrans-78-38.1179.862.6-41.6000112.7R66 F120 G126 M127 D128R66-D122 WeakPolarHBondContact CD-OD2 3.46Å; R66-D122 IonicContact CZ-OD1 3.67Å; R66-D122 IonicContact CZ-OD2 3.57Å; R66-D122 IonicContact NE-OD1 3.55Å; R66-D122 PolarHBondContact NE-OD1 2.72Å; R66-D122 IonicContact NE-OD2 3.79Å; R66-D122 PolarHBondContact NE-OD2 3.33Å; R66-D122 IonicContact NH1-OD1 2.75Å; R66-D122 PolarHBondContact NH1-OD1 3.18Å; R66-D122 IonicContact NH1-OD2 2.89Å; R66-D122 PolarHBondContact NH1-OD2 3.4Å; R66-D122 IonicContact NH2-OD1 3.6Å; R66-D122 PolarHBondContact NH2-OD1 2.97Å; R66-D122 VanDerWaalsContact NH2-OD1 3.09Å; F120-D122 VanDerWaalsContact C-N 3.3Å; F120-D122 PolarHBondContact O-N 3.27Å; D122-G126 CarbonylContact O-C 3.53Å; D122-G126 PolarHBondContact O-N 3.33Å; D122-G126 VanDerWaalsContact O-N 3.11Å; D122-M127 HydrophobicContact CB-CB 4.03Å; D122-M127 PolarHBondContact O-N 2.95Å; D122-D128 HydrophobicContact CB-CB 4.33Å; D122-D128 PolarHBondContact O-N 2.97Å; D122-D128 VanDerWaalsContact O-N 3.08Å; D122-D128 WeakPolarHBondContact OD2-CB 3.38Å
123L78.6Confident90.4Very high9 Ų954.1 Ų54.15%0.04726%0.258CS..Hα-helixtrans-65.3-45.5170.6-72.5169.6000110.9V67 M117 F120 N125 G126 D128 Y205V67-L123 HydrophobicContact CG2-CD1 4.05Å; V67-L123 HydrophobicContact CG2-CD2 4.24Å; M117-L123 HydrophobicContact CB-CD1 4.41Å; F120-L123 HydrophobicContact CB-CB 4.21Å; F120-L123 HydrophobicContact CB-CD1 4.06Å; F120-L123 HydrophobicContact CB-CG 4.37Å; F120-L123 HydrophobicContact CD2-CD1 3.65Å; F120-L123 HydrophobicContact CG-CD1 4.29Å; F120-L123 PolarHBondContact O-N 3.47Å; L123-N125 PolarHBondContact O-N 3.5Å; L123-G126 PolarHBondContact O-N 3.27Å; L123-D128 WeakPolarHBondContact CA-O 3.32Å; L123-D128 HydrophobicContact CD2-CB 3.99Å; L123-D128 WeakPolarHBondContact CD2-OD1 3.31Å; L123-D128 HydrophobicContact CG-CB 4.41Å; L123-Y205 HydrophobicContact CB-CD2 4.05Å; L123-Y205 HydrophobicContact CB-CE2 3.92Å; L123-Y205 HydrophobicContact CD1-CE2 3.91Å; L123-Y205 HydrophobicContact CD2-CD2 4.46Å; L123-Y205 HydrophobicContact CD2-CE2 4.26Å; L123-Y205 HydrophobicContact CG-CE2 4.24Å
124R78.6Confident90.4Very high155 Ų15554.2 Ų54.259%0.58526%0.258SS*.Hα-helixtrans-64.7-40.8179.8-171-179.368.6-164.3-1.5112.9R118 F120 G126R118-R124 WeakPolarHBondContact O-CB 3.29Å; F120-R124 WeakPolarHBondContact O-CB 3.49Å; F120-R124 PolarHBondContact O-N 3.22Å; R124-G126 VanDerWaalsContact C-N 3.25Å
125N80.4Confident90.5Very high109 Ų10954 Ų5458%0.58326%0.257SS*.THydrogen-bonded Turntrans-86.84179.3-61.3-14.1000112.2S121 L123 M127S121-N125 WeakPolarHBondContact O-CB 3.26Å; S121-N125 PolarHBondContact O-N 3.24Å; S121-N125 PolarHBondContact O-ND2 3.24Å; L123-N125 PolarHBondContact O-N 3.5Å; N125-M127 VanDerWaalsContact C-N 3.29Å; N125-M127 PolarHBondContact O-N 3.49Å
126G79.6Confident90.5Very high23 Ų2349.9 Ų49.924%0.23724%0.239CC..THydrogen-bonded Turntrans70.218.3176.300000115.5D122 L123 R124 R129D122-G126 CarbonylContact O-C 3.53Å; D122-G126 PolarHBondContact O-N 3.33Å; D122-G126 VanDerWaalsContact O-N 3.11Å; L123-G126 PolarHBondContact O-N 3.27Å; R124-G126 VanDerWaalsContact C-N 3.25Å; G126-R129 PolarHBondContact O-NE 2.83Å
127M85.6Confident90.6Very high161 Ų16144.3 Ų44.379%0.79322%0.217SC*.SBendtrans-73.6-36.6173-70.9-178.364.400111.7D122 N125D122-M127 HydrophobicContact CB-CB 4.03Å; D122-M127 PolarHBondContact O-N 2.95Å; N125-M127 VanDerWaalsContact C-N 3.29Å; N125-M127 PolarHBondContact O-N 3.49Å
128D91.9Very high90.6Very high31 Ų3144.3 Ų44.317%0.16622%0.217CC..  trans-112135.8166.5-172.4-71.1000107.1D122 L123 S130D122-D128 HydrophobicContact CB-CB 4.33Å; D122-D128 PolarHBondContact O-N 2.97Å; D122-D128 VanDerWaalsContact O-N 3.08Å; D122-D128 WeakPolarHBondContact OD2-CB 3.38Å; L123-D128 WeakPolarHBondContact CA-O 3.32Å; L123-D128 HydrophobicContact CD2-CB 3.99Å; L123-D128 WeakPolarHBondContact CD2-OD1 3.31Å; L123-D128 HydrophobicContact CG-CB 4.41Å; D128-S130 WeakPolarHBondContact OD1-CB 3.4Å; D128-S130 PolarHBondContact OD1-N 3.29Å; D128-S130 PolarHBondContact OD1-OG 3.39Å
129R94.6Very high90.8Very high148 Ų14841.4 Ų41.456%0.55821%0.206SC*.  trans-125.625.1179.6-59.3-173.8-172.2-157.68.3110.9G126 D206G126-R129 PolarHBondContact O-NE 2.83Å; R129-D206 WeakPolarHBondContact CD-OD2 3.29Å; R129-D206 IonicContact CZ-OD2 2.84Å; R129-D206 IonicContact NE-OD2 3.56Å; R129-D206 IonicContact NH1-OD2 2.71Å; R129-D206 PolarHBondContact NH1-OD2 2.94Å
130S97.2Very high91.1Very high0 Ų036.9 Ų36.90%018%0.182CC..  trans-66150.2-176.558.50000111.3H62 A63 G64 V67 D128 D204H62-S130 CarbonylContact O-C 3.51Å; H62-S130 WeakPolarHBondContact O-CA 3.47Å; H62-S130 WeakPolarHBondContact O-CB 3.46Å; A63-S130 WeakPolarHBondContact O-CA 3.27Å; A63-S130 PolarHBondContact O-N 2.89Å; G64-S130 WeakPolarHBondContact O-CB 3.31Å; V67-S130 WeakPolarHBondContact CG2-O 3.21Å; V67-S130 WeakPolarHBondContact CG2-OG 3.4Å; V67-S130 PolarHBondContact N-OG 3.4Å; D128-S130 WeakPolarHBondContact OD1-CB 3.4Å; D128-S130 PolarHBondContact OD1-N 3.29Å; D128-S130 PolarHBondContact OD1-OG 3.39Å; S130-D204 PolarHBondContact O-N 3.25Å
131G98.6Very high91.5Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-128.9174.2162.200000109.1G61 H62 L202G61-G131 WeakPolarHBondContact CA-O 3.46Å; H62-G131 PolarHBondContact N-O 3.24Å; H62-G131 WeakPolarHBondContact NE2-CA 3.37Å; H62-G131 PolarHBondContact O-N 3.31Å; G131-L202 CarbonylContact C-O 3.45Å; G131-L202 WeakPolarHBondContact CA-O 3.09Å
132S98.9Very high92.6Very high0 Ų037.5 Ų37.50%019%0.186CC..EExtended strand (participates in β ladder)trans-151.8143.9171.2-166.40000111.9D60 A68 A201 L202D60-S132 VanDerWaalsContact C-OG 3.3Å; D60-S132 CarbonylContact O-C 3.52Å; D60-S132 WeakPolarHBondContact O-CA 3.27Å; D60-S132 WeakPolarHBondContact O-CB 3.45Å; D60-S132 PolarHBondContact O-OG 3.2Å; A68-S132 WeakPolarHBondContact CB-OG 3.25Å; S132-A201 WeakPolarHBondContact O-CA 3.44Å; S132-A201 WeakPolarHBondContact O-CB 3.46Å; S132-L202 PolarHBondContact N-O 2.59Å; S132-L202 PolarHBondContact O-N 3Å
133T98.9Very high93.7Very high1 Ų138 Ų381%0.00619%0.188CC..  trans-67.9167.7161.277.50000110Y59 D60 C149 D151 S152 V198Y59-T133 WeakPolarHBondContact CA-O 3.49Å; D60-T133 HydrophobicContact CB-CG2 3.99Å; D60-T133 VanDerWaalsContact CB-OG1 3.23Å; D60-T133 WeakPolarHBondContact CB-OG1 3.24Å; D60-T133 PolarHBondContact N-OG1 3.41Å; D60-T133 PolarHBondContact O-N 3.18Å; T133-C149 CarbonylContact C-O 3.49Å; T133-C149 WeakPolarHBondContact CA-O 3.25Å; T133-C149 WeakPolarHBondContact CB-O 3.48Å; T133-D151 WeakPolarHBondContact CG2-OD1 3.4Å; T133-S152 PolarHBondContact OG1-OG 3.12Å; T133-V198 HydrophobicContact CG2-CG1 4.43Å
134A98.9Very high94.7Very high2 Ų237.6 Ų37.62%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-147.8120.7161.700000108.8Y59 L75 F110 N148 C149Y59-A134 HydrophobicContact CD1-CB 3.69Å; Y59-A134 HydrophobicContact CE1-CB 3.82Å; L75-A134 HydrophobicContact CD2-CB 4.34Å; F110-A134 HydrophobicContact CE1-CB 3.87Å; F110-A134 HydrophobicContact CZ-CB 3.94Å; A134-N148 CarbonylContact O-C 3.52Å; A134-C149 PolarHBondContact N-O 3.13Å; A134-C149 PolarHBondContact O-N 3.39Å
135V99Very high95.6Very high1 Ų130.4 Ų30.41%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-117.3133.9166.472.80000109A57 V58 I147 N148 S152 A154 T166 L240A57-V135 CarbonylContact C-O 3.57Å; A57-V135 WeakPolarHBondContact CA-O 3.44Å; A57-V135 WeakPolarHBondContact CB-O 3.39Å; V58-V135 HydrophobicContact CB-CG1 4.06Å; V58-V135 PolarHBondContact N-O 3.11Å; V58-V135 PolarHBondContact O-N 3.42Å; V135-I147 CarbonylContact C-O 3.54Å; V135-I147 WeakPolarHBondContact CA-O 3.28Å; V135-N148 HydrophobicContact CG2-CB 4.44Å; V135-S152 VanDerWaalsContact CG1-CB 3.49Å; V135-A154 HydrophobicContact CG2-CB 3.62Å; V135-T166 HydrophobicContact CG2-CG2 4.32Å; V135-L240 HydrophobicContact CG1-CB 4.4Å
136G98.9Very high96.5Very high2 Ų225.2 Ų25.22%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-151.3164.2-174.200000113.9F56 I147 L240F56-G136 CarbonylContact O-C 3.51Å; F56-G136 WeakPolarHBondContact O-CA 3.32Å; G136-I147 PolarHBondContact N-O 3.02Å; G136-I147 PolarHBondContact O-N 3Å; G136-L240 VanDerWaalsContact CA-CD2 3.45Å
137V98.9Very high97.4Very high1 Ų124.3 Ų24.31%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-132.2124.3167.567.60000109.4F55 F56 V139 M144 Y145 F146 V238 L240F55-V137 WeakPolarHBondContact CA-O 3.33Å; F56-V137 HydrophobicContact CB-CG1 4.17Å; F56-V137 HydrophobicContact CD2-CG1 4.18Å; F56-V137 PolarHBondContact N-O 2.94Å; F56-V137 PolarHBondContact O-N 3.01Å; V137-V139 HydrophobicContact CG1-CG2 4.23Å; V137-V139 HydrophobicContact CG2-CG2 3.92Å; V137-M144 HydrophobicContact CG2-CB 4.1Å; V137-Y145 WeakPolarHBondContact CA-O 3.28Å; V137-F146 HydrophobicContact CB-CD1 4.49Å; V137-F146 HydrophobicContact CG2-CD1 4.37Å; V137-F146 HydrophobicContact CG2-CE1 4.23Å; V137-F146 HydrophobicContact CG2-CE2 4.36Å; V137-F146 HydrophobicContact CG2-CZ 4.2Å; V137-V238 HydrophobicContact CG1-CG1 4.25Å; V137-L240 HydrophobicContact CG1-CD1 4.11Å; V137-L240 HydrophobicContact CG1-CD2 4.25Å
138M98.8Very high98.1Very high0 Ų016.7 Ų16.70%08%0.083CC..EExtended strand (participates in β ladder)trans-98.3121.6167.3-173.8175.9-74.400108.2I46 W53 S54 F55 L76 I79 T80 F85 V102 Y145 I147I46-M138 HydrophobicContact CD1-CE 4.5Å; I46-M138 HydrophobicContact CD1-CG 4.43Å; W53-M138 HydrophobicContact CE3-CG 3.77Å; W53-M138 HydrophobicContact CE3-SD 3.8Å; W53-M138 HydrophobicContact CZ3-CG 4.07Å; W53-M138 HydrophobicContact CZ3-SD 3.78Å; S54-M138 CarbonylContact O-C 3.48Å; S54-M138 WeakPolarHBondContact O-CA 3.43Å; F55-M138 HydrophobicContact CD2-CB 4.1Å; F55-M138 HydrophobicContact CD2-CE 4.14Å; L76-M138 HydrophobicContact CD1-CE 3.83Å; I79-M138 HydrophobicContact CG2-CE 3.83Å; T80-M138 HydrophobicContact CG2-CE 4.18Å; F85-M138 HydrophobicContact CE2-CE 4.43Å; F85-M138 HydrophobicContact CE2-SD 3.97Å; F85-M138 HydrophobicContact CZ-SD 4.17Å; V102-M138 HydrophobicContact CG1-SD 4.37Å; M138-Y145 HydrophobicContact CB-CD2 4.47Å; M138-Y145 PolarHBondContact N-O 3.46Å; M138-Y145 WeakPolarHBondContact O-CD2 3.25Å; M138-Y145 PolarHBondContact O-N 2.78Å; M138-I147 HydrophobicContact CB-CD1 4.48Å
139V98.8Very high98.4Very high1 Ų115.2 Ų15.21%0.0068%0.075CC..EExtended strand (participates in β ladder)trans-111.4113.7-174.5-173.10000108.7L22 W53 S54 V137 M144 F295L22-V139 HydrophobicContact CD1-CB 4.31Å; L22-V139 HydrophobicContact CD1-CG1 4.17Å; W53-V139 CarbonylContact C-O 3.6Å; W53-V139 WeakPolarHBondContact CA-O 3.21Å; S54-V139 PolarHBondContact N-O 2.85Å; S54-V139 PolarHBondContact O-N 2.77Å; V137-V139 HydrophobicContact CG1-CG2 4.23Å; V137-V139 HydrophobicContact CG2-CG2 3.92Å; V139-M144 HydrophobicContact CG1-CG 4.32Å; V139-M144 HydrophobicContact CG2-CG 4.37Å; V139-F295 HydrophobicContact CG1-CE1 4.36Å
140S98.1Very high98.6Very high1 Ų18.1 Ų8.11%0.0075%0.048CC..  trans-93177.3169.982.30000110.6T142 H143 R231S140-T142 PolarHBondContact O-N 3.31Å; S140-T142 PolarHBondContact OG-N 2.85Å; S140-H143 PolarHBondContact N-O 3.49Å; S140-H143 PolarHBondContact OG-N 3.25Å; S140-H143 PolarHBondContact OG-O 2.96Å; S140-R231 WeakPolarHBondContact O-CD 3.2Å; S140-R231 PolarHBondContact O-NH1 2.81Å
141P97.2Very high98.7Very high51 Ų518.4 Ų8.433%0.3315%0.05SC..SBendtrans-56.1-29.5171.9-28.637.9000113.8N52 R231N52-P141 HydrophobicContact CB-CG 3.92Å; P141-R231 PolarHBondContact O-NH1 2.87Å
142T97.4Very high98.7Very high68 Ų688.4 Ų8.442%0.4175%0.05SC..SBendtrans-119.5-19.8-170.354.60000114.7S140 R231S140-T142 PolarHBondContact O-N 3.31Å; S140-T142 PolarHBondContact OG-N 2.85Å; T142-R231 PolarHBondContact O-N 3.44Å
143H98.6Very high98.7Very high35 Ų3510.3 Ų10.316%0.1626%0.057CC..EExtended strand (participates in β ladder)trans-135.2154.9-173.5-65.776.4000112.1S140 Y145 I229S140-H143 PolarHBondContact N-O 3.49Å; S140-H143 PolarHBondContact OG-N 3.25Å; S140-H143 PolarHBondContact OG-O 2.96Å; H143-Y145 HydrophobicContact CB-CD2 4.34Å; H143-Y145 HydrophobicContact CB-CE1 4.46Å; H143-Y145 HydrophobicContact CB-CE2 3.64Å; H143-I229 CarbonylContact C-O 3.59Å; H143-I229 WeakPolarHBondContact CA-O 3.28Å
144M98.8Very high98.7Very high0 Ų010.3 Ų10.30%06%0.057CC..EExtended strand (participates in β ladder)trans-112.1128.8161.8-65.7176.3-79.400108V137 V139 F146 L156 E228 I229 R231 D235 V238 F295V137-M144 HydrophobicContact CG2-CB 4.1Å; V139-M144 HydrophobicContact CG1-CG 4.32Å; V139-M144 HydrophobicContact CG2-CG 4.37Å; M144-F146 HydrophobicContact CB-CD2 4.3Å; M144-F146 HydrophobicContact CB-CE2 3.73Å; M144-F146 HydrophobicContact CB-CZ 4.47Å; M144-F146 HydrophobicContact SD-CE2 4.28Å; M144-F146 HydrophobicContact SD-CZ 4.31Å; M144-L156 HydrophobicContact CE-CD1 3.95Å; M144-L156 HydrophobicContact CE-CD2 3.68Å; M144-L156 HydrophobicContact CE-CG 4.49Å; M144-L156 HydrophobicContact SD-CD1 4.07Å; M144-E228 CarbonylContact O-C 3.55Å; M144-I229 HydrophobicContact CE-CG2 4.1Å; M144-I229 PolarHBondContact N-O 3.27Å; M144-I229 PolarHBondContact O-N 2.66Å; M144-R231 HydrophobicContact CE-CG 4.29Å; M144-R231 HydrophobicContact CG-CG 3.92Å; M144-D235 VanDerWaalsContact CE-OD2 3.27Å; M144-D235 WeakPolarHBondContact CE-OD2 3.49Å; M144-V238 HydrophobicContact SD-CG2 4.31Å; M144-F295 HydrophobicContact CG-CZ 4.35Å; M144-F295 HydrophobicContact SD-CE1 4.14Å; M144-F295 HydrophobicContact SD-CE2 4.09Å; M144-F295 HydrophobicContact SD-CZ 3.42Å; M144-F295 WeakPolarHBondContact SD-CZ 3.2Å
145Y98.9Very high98.7Very high4 Ų410.2 Ų10.22%0.0166%0.056CC..EExtended strand (participates in β ladder)trans-109103.5174.3-56.7-89.6000108W53 V99 V102 V137 M138 H143 Y227 E228W53-Y145 HydrophobicContact CH2-CE2 4.06Å; W53-Y145 HydrophobicContact CZ3-CD2 4.37Å; W53-Y145 AromaticContact CZ3-CE2 3.93Å; W53-Y145 HydrophobicContact CZ3-CE2 3.93Å; V99-Y145 HydrophobicContact CG1-CE1 4.27Å; V99-Y145 HydrophobicContact CG2-CE1 4.46Å; V102-Y145 HydrophobicContact CB-CD1 4.31Å; V102-Y145 HydrophobicContact CB-CE1 3.92Å; V102-Y145 HydrophobicContact CB-CE2 4.43Å; V102-Y145 HydrophobicContact CG1-CD1 3.66Å; V102-Y145 HydrophobicContact CG1-CD2 3.8Å; V102-Y145 HydrophobicContact CG1-CE1 3.73Å; V102-Y145 HydrophobicContact CG1-CE2 3.87Å; V102-Y145 HydrophobicContact CG1-CG 3.7Å; V102-Y145 HydrophobicContact CG2-CE1 4.44Å; V102-Y145 HydrophobicContact CG2-CE2 4.3Å; V137-Y145 WeakPolarHBondContact CA-O 3.28Å; M138-Y145 HydrophobicContact CB-CD2 4.47Å; M138-Y145 PolarHBondContact N-O 3.46Å; M138-Y145 WeakPolarHBondContact O-CD2 3.25Å; M138-Y145 PolarHBondContact O-N 2.78Å; H143-Y145 HydrophobicContact CB-CD2 4.34Å; H143-Y145 HydrophobicContact CB-CE1 4.46Å; H143-Y145 HydrophobicContact CB-CE2 3.64Å; Y145-Y227 WeakPolarHBondContact CA-O 3.28Å; Y145-E228 HydrophobicContact CD1-CB 3.81Å; Y145-E228 HydrophobicContact CE1-CB 3.8Å
146F98.9Very high98.7Very high0 Ų010.1 Ų10.10%06%0.056CC..EExtended strand (participates in β ladder)trans-79.8131173.8-70-95.2000109V137 M144 A154 L156 F164 T166 V226 Y227 I229 V238V137-F146 HydrophobicContact CB-CD1 4.49Å; V137-F146 HydrophobicContact CG2-CD1 4.37Å; V137-F146 HydrophobicContact CG2-CE1 4.23Å; V137-F146 HydrophobicContact CG2-CE2 4.36Å; V137-F146 HydrophobicContact CG2-CZ 4.2Å; M144-F146 HydrophobicContact CB-CD2 4.3Å; M144-F146 HydrophobicContact CB-CE2 3.73Å; M144-F146 HydrophobicContact CB-CZ 4.47Å; M144-F146 HydrophobicContact SD-CE2 4.28Å; M144-F146 HydrophobicContact SD-CZ 4.31Å; F146-A154 HydrophobicContact CD1-CB 3.93Å; F146-A154 HydrophobicContact CE1-CB 4.29Å; F146-L156 HydrophobicContact CE1-CB 4.39Å; F146-L156 HydrophobicContact CE2-CB 4.46Å; F146-L156 HydrophobicContact CZ-CB 3.76Å; F146-L156 HydrophobicContact CZ-CD2 4.47Å; F146-L156 HydrophobicContact CZ-CG 4.48Å; F146-F164 HydrophobicContact CB-CD1 4.32Å; F146-F164 HydrophobicContact CB-CE1 3.47Å; F146-F164 VanDerWaalsContact CB-CE1 3.47Å; F146-F164 HydrophobicContact CB-CZ 4.07Å; F146-F164 AromaticContact CD1-CD1 3.92Å; F146-F164 HydrophobicContact CD1-CD1 3.92Å; F146-F164 AromaticContact CD1-CE1 3.76Å; F146-F164 HydrophobicContact CD1-CE1 3.76Å; F146-F164 AromaticContact CD2-CD1 3.82Å; F146-F164 HydrophobicContact CD2-CD1 3.82Å; F146-F164 AromaticContact CD2-CE1 3.81Å; F146-F164 HydrophobicContact CD2-CE1 3.81Å; F146-F164 HydrophobicContact CE1-CD1 4.19Å; F146-F164 HydrophobicContact CE1-CE1 4.48Å; F146-F164 HydrophobicContact CE2-CD1 4.12Å; F146-F164 AromaticContact CG-CD1 3.74Å; F146-F164 HydrophobicContact CG-CD1 3.74Å; F146-F164 AromaticContact CG-CE1 3.38Å; F146-F164 HydrophobicContact CG-CE1 3.38Å; F146-F164 HydrophobicContact CG-CZ 4.36Å; F146-F164 HydrophobicContact CZ-CD1 4.31Å; F146-T166 HydrophobicContact CB-CG2 4.06Å; F146-V226 CarbonylContact O-C 3.59Å; F146-V226 VanDerWaalsContact O-CA 3.29Å; F146-V226 WeakPolarHBondContact O-CA 3.49Å; F146-Y227 PolarHBondContact N-O 2.89Å; F146-Y227 PolarHBondContact O-N 3.37Å; F146-I229 HydrophobicContact CD2-CD1 3.88Å; F146-I229 HydrophobicContact CD2-CG1 4.27Å; F146-I229 HydrophobicContact CE2-CB 4.47Å; F146-I229 HydrophobicContact CE2-CD1 3.75Å; F146-I229 HydrophobicContact CE2-CG1 4.34Å; F146-V238 HydrophobicContact CE1-CG1 3.86Å; F146-V238 HydrophobicContact CE1-CG2 4.02Å; F146-V238 HydrophobicContact CZ-CG1 4.41Å; F146-V238 HydrophobicContact CZ-CG2 3.73Å
147I98.9Very high98.7Very high3 Ų310.1 Ų10.12%0.0156%0.055CC..EExtended strand (participates in β ladder)trans-125.3126.2-172.4-54.9168.5000107.1F55 I106 F110 V135 G136 M138 P224 E225 V226F55-I147 HydrophobicContact CE2-CD1 4.13Å; I106-I147 HydrophobicContact CD1-CD1 3.61Å; I106-I147 HydrophobicContact CD1-CG1 3.93Å; I106-I147 HydrophobicContact CG1-CD1 3.92Å; I106-I147 HydrophobicContact CG2-CD1 3.9Å; I106-I147 HydrophobicContact CG2-CG1 4.06Å; I106-I147 HydrophobicContact CG2-CG2 3.76Å; F110-I147 HydrophobicContact CE2-CG2 3.61Å; F110-I147 HydrophobicContact CZ-CG2 3.61Å; V135-I147 CarbonylContact C-O 3.54Å; V135-I147 WeakPolarHBondContact CA-O 3.28Å; G136-I147 PolarHBondContact N-O 3.02Å; G136-I147 PolarHBondContact O-N 3Å; M138-I147 HydrophobicContact CB-CD1 4.48Å; I147-P224 HydrophobicContact CG2-CB 3.96Å; I147-E225 WeakPolarHBondContact CA-O 3.46Å; I147-V226 HydrophobicContact CG1-CG1 4.43Å
148N98.9Very high98.7Very high1 Ų112.4 Ų12.41%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-136.2136176-16740.7000113.1A134 V135 G150 S152 T166 Q167 H169 P224 E225A134-N148 CarbonylContact O-C 3.52Å; V135-N148 HydrophobicContact CG2-CB 4.44Å; N148-G150 PolarHBondContact ND2-O 2.77Å; N148-S152 PolarHBondContact OD1-O 3.04Å; N148-S152 VanDerWaalsContact OD1-O 3.05Å; N148-T166 HydrophobicContact CB-CG2 3.9Å; N148-Q167 PolarHBondContact ND2-O 2.9Å; N148-H169 PolarHBondContact ND2-ND1 2.84Å; N148-H169 PolarHBondContact O-CE1 3.21Å; N148-H169 VanDerWaalsContact O-CE1 3.23Å; N148-P224 CarbonylContact O-C 3.41Å; N148-P224 VanDerWaalsContact O-CA 3.3Å; N148-P224 WeakPolarHBondContact O-CA 3.43Å; N148-E225 PolarHBondContact N-O 3.08Å; N148-E225 PolarHBondContact O-N 3.46Å
149C98.9Very high98.6Very high0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-146.3104.7170.4-172.40000107.9F110 T133 A134 P224F110-C149 HydrophobicContact CD1-CB 4.18Å; F110-C149 HydrophobicContact CE1-CB 3.65Å; T133-C149 CarbonylContact C-O 3.49Å; T133-C149 WeakPolarHBondContact CA-O 3.25Å; T133-C149 WeakPolarHBondContact CB-O 3.48Å; A134-C149 PolarHBondContact N-O 3.13Å; A134-C149 PolarHBondContact O-N 3.39Å; C149-P224 HydrophobicContact CB-CB 4.39Å
150G98.9Very high98.5Very high0 Ų019.6 Ų19.60%011%0.109CC..SBendtrans108.3-158.6-169.800000112.9N148 H169 R200N148-G150 PolarHBondContact ND2-O 2.77Å; G150-H169 PolarHBondContact N-ND1 2.99Å; G150-H169 VanDerWaalsContact N-ND1 3.18Å; G150-H169 WeakPolarHBondContact O-CB 3.47Å; G150-H169 PolarHBondContact O-N 3.24Å; G150-H169 PolarHBondContact O-ND1 2.85Å; G150-H169 VanDerWaalsContact O-ND1 3.1Å; G150-R200 WeakPolarHBondContact CA-O 3.28Å; G150-R200 PolarHBondContact N-O 3.47Å
151D98.8Very high98.4Very high5 Ų526.2 Ų26.23%0.02714%0.14CC..SBendtrans-1199.6-171.559.8-9.1000114.8T133 D168 K170 V198T133-D151 WeakPolarHBondContact CG2-OD1 3.4Å; D151-D168 HydrophobicContact CB-CB 4.01Å; D151-K170 HydrophobicContact CB-CD 4.03Å; D151-K170 VanDerWaalsContact CB-NZ 3.31Å; D151-K170 IonicContact OD2-NZ 2.8Å; D151-K170 PolarHBondContact OD2-NZ 3.5Å; D151-V198 HydrophobicContact CB-CG1 4.16Å; D151-V198 WeakPolarHBondContact OD1-CG1 3.29Å; D151-V198 VanDerWaalsContact OD2-CG1 3.25Å; D151-V198 WeakPolarHBondContact OD2-CG1 3.43Å
152S98.9Very high98.5Very high0 Ų026 Ų260%014%0.137CC..  trans-63.2156.5151.3-52.50000109.7D60 T133 V135 N148 A241D60-S152 WeakPolarHBondContact CB-OG 3.18Å; T133-S152 PolarHBondContact OG1-OG 3.12Å; V135-S152 VanDerWaalsContact CG1-CB 3.49Å; N148-S152 PolarHBondContact OD1-O 3.04Å; N148-S152 VanDerWaalsContact OD1-O 3.05Å; S152-A241 WeakPolarHBondContact CB-O 3.14Å
153R98.9Very high98.5Very high41 Ų4125.8 Ų25.816%0.15514%0.138CC..EExtended strand (participates in β ladder)trans-141.5144.3-170.9-163.7-170.4-59.9150.59.8112.7S165 T166 D168 A241 W246 N251R153-S165 WeakPolarHBondContact CD-OG 3.17Å; R153-T166 WeakPolarHBondContact CA-OG1 3.27Å; R153-T166 WeakPolarHBondContact CG-OG1 3.29Å; R153-D168 IonicContact CZ-OD1 3.26Å; R153-D168 IonicContact CZ-OD2 2.59Å; R153-D168 IonicContact NE-OD1 3Å; R153-D168 PolarHBondContact NE-OD1 2.93Å; R153-D168 IonicContact NE-OD2 3.09Å; R153-D168 IonicContact NH2-OD1 3.04Å; R153-D168 PolarHBondContact NH2-OD1 3.39Å; R153-D168 IonicContact NH2-OD2 2.83Å; R153-D168 PolarHBondContact NH2-OD2 3.04Å; R153-A241 PolarHBondContact N-O 2.97Å; R153-A241 PolarHBondContact O-N 3.38Å; R153-W246 HydrophobicContact CB-CD2 4.2Å; R153-W246 HydrophobicContact CB-CG 4.14Å; R153-W246 HydrophobicContact CB-CZ2 4.3Å; R153-W246 WeakPolarHBondContact O-CZ2 3.49Å; R153-W246 PolarHBondContact O-NE1 3.32Å; R153-W246 VanDerWaalsContact O-NE1 3.17Å; R153-N251 WeakPolarHBondContact CD-OD1 3.03Å; R153-N251 PolarHBondContact NH1-OD1 2.97Å
154A98.9Very high98.5Very high0 Ų025.9 Ų25.90%014%0.138CC..EExtended strand (participates in β ladder)trans-120.6138.8172.900000110.6V135 F146 S165 T166 V239 L240V135-A154 HydrophobicContact CG2-CB 3.62Å; F146-A154 HydrophobicContact CD1-CB 3.93Å; F146-A154 HydrophobicContact CE1-CB 4.29Å; A154-S165 WeakPolarHBondContact O-CA 3.48Å; A154-T166 HydrophobicContact CB-CG2 4.16Å; A154-T166 PolarHBondContact N-OG1 3.45Å; A154-T166 PolarHBondContact O-N 2.79Å; A154-V239 CarbonylContact C-O 3.56Å; A154-V239 WeakPolarHBondContact CA-O 3.14Å; A154-L240 HydrophobicContact CB-CB 4.5Å; A154-L240 HydrophobicContact CB-CD2 4.22Å; A154-L240 HydrophobicContact CB-CG 3.96Å
155V98.9Very high98.5Very high0 Ų027.2 Ų27.20%015%0.148CC..EExtended strand (participates in β ladder)trans-130.9133.1-176.8178.70000109.9V162 F164 V238 V239 W246 N251 C255V155-V162 HydrophobicContact CG1-CB 4.5Å; V155-V162 HydrophobicContact CG1-CG1 3.83Å; V155-V162 HydrophobicContact CG1-CG2 4.17Å; V155-F164 CarbonylContact C-O 3.6Å; V155-F164 WeakPolarHBondContact CA-O 3.41Å; V155-V238 CarbonylContact O-C 3.59Å; V155-V238 VanDerWaalsContact O-CA 3.28Å; V155-V238 WeakPolarHBondContact O-CA 3.5Å; V155-V239 PolarHBondContact N-O 3.24Å; V155-V239 PolarHBondContact O-N 3.35Å; V155-W246 HydrophobicContact CB-CH2 4.14Å; V155-W246 HydrophobicContact CG2-CH2 3.49Å; V155-W246 VanDerWaalsContact CG2-CH2 3.49Å; V155-W246 HydrophobicContact CG2-CZ2 4.05Å; V155-W246 HydrophobicContact CG2-CZ3 4.13Å; V155-N251 HydrophobicContact CG2-CB 4.27Å; V155-C255 VanDerWaalsContact CG1-SG 3.59Å
156L98.9Very high98.5Very high0 Ų027.2 Ų27.20%015%0.148CC..EExtended strand (participates in β ladder)trans-97.1125.517117661.6000110M144 F146 C163 F164 I229 V238M144-L156 HydrophobicContact CE-CD1 3.95Å; M144-L156 HydrophobicContact CE-CD2 3.68Å; M144-L156 HydrophobicContact CE-CG 4.49Å; M144-L156 HydrophobicContact SD-CD1 4.07Å; F146-L156 HydrophobicContact CE1-CB 4.39Å; F146-L156 HydrophobicContact CE2-CB 4.46Å; F146-L156 HydrophobicContact CZ-CB 3.76Å; F146-L156 HydrophobicContact CZ-CD2 4.47Å; F146-L156 HydrophobicContact CZ-CG 4.48Å; L156-C163 HydrophobicContact CD2-CB 4.14Å; L156-C163 HydrophobicContact CG-CB 4.13Å; L156-C163 PolarHBondContact O-N 3Å; L156-F164 HydrophobicContact CB-CB 4.16Å; L156-F164 PolarHBondContact N-O 3.22Å; L156-I229 HydrophobicContact CD2-CD1 4.2Å; L156-I229 HydrophobicContact CD2-CG2 4.17Å; L156-V238 HydrophobicContact CB-CG2 4.33Å; L156-V238 HydrophobicContact CD1-CG2 3.61Å
157C98.8Very high98.5Very high2 Ų233.1 Ų33.11%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-97.4126.6165.3-173.10000110.1Q161 E236 F237C157-Q161 WeakPolarHBondContact CA-O 3.25Å; C157-E236 PolarHBondContact O-N 2.82Å; C157-E236 VanDerWaalsContact O-N 3.12Å; C157-F237 HydrophobicContact CB-CD1 4.14Å; C157-F237 HydrophobicContact CB-CD2 3.73Å; C157-F237 HydrophobicContact CB-CE1 3.81Å; C157-F237 HydrophobicContact CB-CE2 3.38Å; C157-F237 HydrophobicContact CB-CG 4.1Å; C157-F237 HydrophobicContact CB-CZ 3.42Å; C157-F237 VanDerWaalsContact CB-CZ 3.42Å; C157-F237 PolarHBondContact N-O 3.28Å; C157-F237 PolarHBondContact O-N 3.07Å; C157-F237 VanDerWaalsContact SG-CZ 3.56Å
158R98.6Very high98.5Very high48 Ų4834.2 Ų34.218%0.18118%0.182CC..EExtended strand (participates in β ladder)trans-139131.4177.3-174.3179.7-74.3-174.6-7.7108.7G160 Q161 C163 V230 A232 E234 D235R158-G160 PolarHBondContact O-N 3.27Å; R158-Q161 PolarHBondContact N-O 3.14Å; R158-Q161 PolarHBondContact O-N 3.44Å; R158-C163 HydrophobicContact CB-CB 3.66Å; R158-V230 PolarHBondContact NH2-O 3.49Å; R158-A232 VanDerWaalsContact CZ-CB 3.46Å; R158-E234 WeakPolarHBondContact CA-O 3.4Å; R158-E234 HydrophobicContact CG-CB 3.68Å; R158-E234 WeakPolarHBondContact CG-O 3.42Å; R158-D235 IonicContact CZ-OD1 2.74Å; R158-D235 IonicContact NE-OD1 2.63Å; R158-D235 PolarHBondContact NE-OD1 2.82Å; R158-D235 VanDerWaalsContact NH2-CG 3.27Å; R158-D235 IonicContact NH2-OD1 3.79Å; R158-D235 PolarHBondContact NH2-OD1 2.92Å; R158-D235 IonicContact NH2-OD2 3.79Å; R158-D235 PolarHBondContact NH2-OD2 3.04Å; R158-D235 VanDerWaalsContact NH2-OD2 3.09Å
159N97.3Very high98.5Very high123 Ų12334.3 Ų34.366%0.65818%0.182SC*.THydrogen-bonded Turntrans50.741-179.6-16641.3000114Q161 E234 E236N159-Q161 VanDerWaalsContact C-N 3.31Å; N159-Q161 PolarHBondContact O-N 2.82Å; N159-E234 HydrophobicContact CB-CB 4.3Å; N159-E234 PolarHBondContact N-O 2.8Å; N159-E236 VanDerWaalsContact CA-OE1 3.26Å; N159-E236 WeakPolarHBondContact CA-OE1 3.26Å; N159-E236 PolarHBondContact N-OE1 3.42Å; N159-E236 VanDerWaalsContact N-OE1 3.08Å
160G95.9Very high98.5Very high30 Ų3036.5 Ų36.531%0.30919%0.191SC..THydrogen-bonded Turntrans77.710.5174.900000114.5R158 E236R158-G160 PolarHBondContact O-N 3.27Å; G160-E236 WeakPolarHBondContact CA-OE1 3.15Å; G160-E236 PolarHBondContact N-OE1 3.2Å
161Q97.3Very high98.5Very high140 Ų14036.5 Ų36.565%0.65419%0.191SC*.EExtended strand (participates in β ladder)trans-134.2155.2-175.1-63-172.7-23.400111.9C157 R158 N159 C163C157-Q161 WeakPolarHBondContact CA-O 3.25Å; R158-Q161 PolarHBondContact N-O 3.14Å; R158-Q161 PolarHBondContact O-N 3.44Å; N159-Q161 VanDerWaalsContact C-N 3.31Å; N159-Q161 PolarHBondContact O-N 2.82Å; Q161-C163 PolarHBondContact O-N 2.88Å; Q161-C163 VanDerWaalsContact O-N 3.08Å
162V98.6Very high98.4Very high45 Ų4539 Ų3927%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-62.6109.2168176.20000108.5V155 N251 E252 C255V155-V162 HydrophobicContact CG1-CB 4.5Å; V155-V162 HydrophobicContact CG1-CG1 3.83Å; V155-V162 HydrophobicContact CG1-CG2 4.17Å; V162-N251 HydrophobicContact CG1-CB 4.41Å; V162-N251 HydrophobicContact CG2-CB 4.18Å; V162-E252 HydrophobicContact CG2-CG 4.25Å; V162-C255 HydrophobicContact CG2-CB 4.11Å
163C98.3Very high98.4Very high65 Ų6541.6 Ų41.644%0.43922%0.223SC..EExtended strand (participates in β ladder)trans-91.3-35.6-179.7-178.30000111.9L156 R158 Q161L156-C163 HydrophobicContact CD2-CB 4.14Å; L156-C163 HydrophobicContact CG-CB 4.13Å; L156-C163 PolarHBondContact O-N 3Å; R158-C163 HydrophobicContact CB-CB 3.66Å; Q161-C163 PolarHBondContact O-N 2.88Å; Q161-C163 VanDerWaalsContact O-N 3.08Å
164F98.8Very high98.4Very high36 Ų3644.8 Ų44.816%0.15825%0.249CC..EExtended strand (participates in β ladder)trans-153.2149.4-179.4172.5-94.4000110.3F146 V155 L156 T166 Y227 I229F146-F164 HydrophobicContact CB-CD1 4.32Å; F146-F164 HydrophobicContact CB-CE1 3.47Å; F146-F164 VanDerWaalsContact CB-CE1 3.47Å; F146-F164 HydrophobicContact CB-CZ 4.07Å; F146-F164 AromaticContact CD1-CD1 3.92Å; F146-F164 HydrophobicContact CD1-CD1 3.92Å; F146-F164 AromaticContact CD1-CE1 3.76Å; F146-F164 HydrophobicContact CD1-CE1 3.76Å; F146-F164 AromaticContact CD2-CD1 3.82Å; F146-F164 HydrophobicContact CD2-CD1 3.82Å; F146-F164 AromaticContact CD2-CE1 3.81Å; F146-F164 HydrophobicContact CD2-CE1 3.81Å; F146-F164 HydrophobicContact CE1-CD1 4.19Å; F146-F164 HydrophobicContact CE1-CE1 4.48Å; F146-F164 HydrophobicContact CE2-CD1 4.12Å; F146-F164 AromaticContact CG-CD1 3.74Å; F146-F164 HydrophobicContact CG-CD1 3.74Å; F146-F164 AromaticContact CG-CE1 3.38Å; F146-F164 HydrophobicContact CG-CE1 3.38Å; F146-F164 HydrophobicContact CG-CZ 4.36Å; F146-F164 HydrophobicContact CZ-CD1 4.31Å; V155-F164 CarbonylContact C-O 3.6Å; V155-F164 WeakPolarHBondContact CA-O 3.41Å; L156-F164 HydrophobicContact CB-CB 4.16Å; L156-F164 PolarHBondContact N-O 3.22Å; F164-T166 HydrophobicContact CE1-CG2 3.96Å; F164-T166 HydrophobicContact CZ-CG2 4.37Å; F164-Y227 HydrophobicContact CE2-CD1 4.1Å; F164-Y227 HydrophobicContact CE2-CD2 4.17Å; F164-Y227 AromaticContact CE2-CG 3.77Å; F164-Y227 HydrophobicContact CE2-CG 3.77Å; F164-Y227 HydrophobicContact CZ-CD1 4.41Å; F164-Y227 AromaticContact CZ-CD2 3.68Å; F164-Y227 HydrophobicContact CZ-CD2 3.68Å; F164-Y227 HydrophobicContact CZ-CE2 4.46Å; F164-Y227 AromaticContact CZ-CG 3.63Å; F164-Y227 HydrophobicContact CZ-CG 3.63Å; F164-I229 HydrophobicContact CB-CD1 3.41Å; F164-I229 VanDerWaalsContact CB-CD1 3.41Å; F164-I229 HydrophobicContact CD1-CD1 3.77Å; F164-I229 HydrophobicContact CD2-CD1 3.75Å; F164-I229 HydrophobicContact CE2-CD1 4.47Å; F164-I229 HydrophobicContact CG-CD1 3.34Å
165S98.8Very high98.4Very high28 Ų2849.6 Ų49.620%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-140.4141.1169.8177.30000108.9R153 A154 N251R153-S165 WeakPolarHBondContact CD-OG 3.17Å; A154-S165 WeakPolarHBondContact O-CA 3.48Å; S165-N251 WeakPolarHBondContact CB-ND2 3.3Å; S165-N251 PolarHBondContact OG-ND2 2.97Å; S165-N251 VanDerWaalsContact OG-ND2 3.11Å
166T98.9Very high98.3Very high4 Ų449.9 Ų49.93%0.02528%0.279CS..PPolyproline II helixtrans-62.5154.8164.157.50000110V135 F146 N148 R153 A154 F164V135-T166 HydrophobicContact CG2-CG2 4.32Å; F146-T166 HydrophobicContact CB-CG2 4.06Å; N148-T166 HydrophobicContact CB-CG2 3.9Å; R153-T166 WeakPolarHBondContact CA-OG1 3.27Å; R153-T166 WeakPolarHBondContact CG-OG1 3.29Å; A154-T166 HydrophobicContact CB-CG2 4.16Å; A154-T166 PolarHBondContact N-OG1 3.45Å; A154-T166 PolarHBondContact O-N 2.79Å; F164-T166 HydrophobicContact CE1-CG2 3.96Å; F164-T166 HydrophobicContact CZ-CG2 4.37Å
167Q98.6Very high98.3Very high124 Ų12454 Ų5458%0.57930%0.297SS*.PPolyproline II helixtrans-99.2131174.8-62.4-173.429.800109.8N148N148-Q167 PolarHBondContact ND2-O 2.9Å
168D98.8Very high98.3Very high27 Ų2759.3 Ų59.314%0.14432%0.322CS..PPolyproline II helixtrans-68.4135.4179.7-617.3000111.3D151 R153 K170 N173D151-D168 HydrophobicContact CB-CB 4.01Å; R153-D168 IonicContact CZ-OD1 3.26Å; R153-D168 IonicContact CZ-OD2 2.59Å; R153-D168 IonicContact NE-OD1 3Å; R153-D168 PolarHBondContact NE-OD1 2.93Å; R153-D168 IonicContact NE-OD2 3.09Å; R153-D168 IonicContact NH2-OD1 3.04Å; R153-D168 PolarHBondContact NH2-OD1 3.39Å; R153-D168 IonicContact NH2-OD2 2.83Å; R153-D168 PolarHBondContact NH2-OD2 3.04Å; D168-K170 HydrophobicContact CB-CD 4.48Å; D168-K170 HydrophobicContact CB-CG 4.09Å; D168-K170 PolarHBondContact O-N 3.13Å; D168-K170 VanDerWaalsContact O-N 3.09Å; D168-N173 PolarHBondContact O-ND2 2.88Å
169H98.8Very high98.3Very high3 Ų358.4 Ų58.41%0.01432%0.318CS..  trans-84.980176.2-64.2102.4000111.5N148 G150 S199 R200 E225N148-H169 PolarHBondContact ND2-ND1 2.84Å; N148-H169 PolarHBondContact O-CE1 3.21Å; N148-H169 VanDerWaalsContact O-CE1 3.23Å; G150-H169 PolarHBondContact N-ND1 2.99Å; G150-H169 VanDerWaalsContact N-ND1 3.18Å; G150-H169 WeakPolarHBondContact O-CB 3.47Å; G150-H169 PolarHBondContact O-N 3.24Å; G150-H169 PolarHBondContact O-ND1 2.85Å; G150-H169 VanDerWaalsContact O-ND1 3.1Å; H169-S199 VanDerWaalsContact C-OG 3.23Å; H169-S199 PolarHBondContact O-N 3.29Å; H169-S199 PolarHBondContact O-OG 3.43Å; H169-S199 VanDerWaalsContact O-OG 3.07Å; H169-R200 HydrophobicContact CB-CB 3.87Å; H169-R200 HydrophobicContact CB-CG 3.86Å; H169-R200 VanDerWaalsContact CD2-CD 3.45Å; H169-R200 WeakPolarHBondContact CD2-CD 3.3Å; H169-R200 VanDerWaalsContact CD2-CZ 3.44Å; H169-R200 PolarHBondContact CD2-NE 2.96Å; H169-R200 VanDerWaalsContact CD2-NE 3.27Å; H169-R200 VanDerWaalsContact NE2-CZ 3.31Å; H169-R200 PolarHBondContact NE2-NH1 2.98Å; H169-E225 WeakPolarHBondContact NE2-CG 3.37Å; H169-E225 IonicContact NE2-OE1 3.14Å; H169-E225 IonicContact NE2-OE2 3.06Å
170K98.6Very high98.4Very high45 Ų4552.5 Ų52.520%0.19629%0.287CS..  trans-93.9140.2177.5-58.7-64.9-173.91770110.9D151 D168 C172 N173D151-K170 HydrophobicContact CB-CD 4.03Å; D151-K170 VanDerWaalsContact CB-NZ 3.31Å; D151-K170 IonicContact OD2-NZ 2.8Å; D151-K170 PolarHBondContact OD2-NZ 3.5Å; D168-K170 HydrophobicContact CB-CD 4.48Å; D168-K170 HydrophobicContact CB-CG 4.09Å; D168-K170 PolarHBondContact O-N 3.13Å; D168-K170 VanDerWaalsContact O-N 3.09Å; K170-C172 PolarHBondContact O-N 2.83Å; K170-N173 PolarHBondContact N-ND2 2.87Å; K170-N173 VanDerWaalsContact O-CB 3.29Å; K170-N173 WeakPolarHBondContact O-CB 3.34Å; K170-N173 PolarHBondContact O-N 2.75Å
171P98.7Very high98.5Very high0 Ų056 Ų560%030%0.295CS..THydrogen-bonded Turntrans-56.3-24.4178.1-29.837.1000115.1N173 K177 I180 V187 Q190 V192 A197P171-N173 VanDerWaalsContact C-N 3.32Å; P171-K177 WeakPolarHBondContact O-CB 3.32Å; P171-I180 HydrophobicContact CB-CD1 3.93Å; P171-V187 HydrophobicContact CB-CG1 3.91Å; P171-V187 HydrophobicContact CB-CG2 4.14Å; P171-V187 WeakPolarHBondContact O-CG2 3.21Å; P171-Q190 WeakPolarHBondContact CB-O 3.34Å; P171-Q190 WeakPolarHBondContact CD-O 3.22Å; P171-Q190 VanDerWaalsContact CG-O 3.26Å; P171-Q190 WeakPolarHBondContact CG-O 3.49Å; P171-V192 HydrophobicContact CB-CG2 4.04Å; P171-V192 HydrophobicContact CG-CG2 3.69Å; P171-A197 WeakPolarHBondContact CD-O 3.26Å
172C97.8Very high98.6Very high59 Ų5953.9 Ų53.940%0.39929%0.289SS..THydrogen-bonded Turntrans-77.8-12.8177.557.20000114.2K170 Q190K170-C172 PolarHBondContact O-N 2.83Å; C172-Q190 HydrophobicContact CB-CG 4.42Å
173N98.4Very high98.6Very high53 Ų5352.1 Ų52.128%0.28328%0.279SS..SBendtrans-62.5140177.9-67.4-4.3000110D168 K170 P171 V175 E176 K177D168-N173 PolarHBondContact O-ND2 2.88Å; K170-N173 PolarHBondContact N-ND2 2.87Å; K170-N173 VanDerWaalsContact O-CB 3.29Å; K170-N173 WeakPolarHBondContact O-CB 3.34Å; K170-N173 PolarHBondContact O-N 2.75Å; P171-N173 VanDerWaalsContact C-N 3.32Å; N173-V175 PolarHBondContact O-N 2.91Å; N173-E176 HydrophobicContact CB-CB 4.12Å; N173-E176 HydrophobicContact CB-CG 3.82Å; N173-E176 PolarHBondContact O-N 3.26Å; N173-K177 WeakPolarHBondContact O-CB 3.48Å; N173-K177 PolarHBondContact O-N 3.09Å
174P98.3Very high98.6Very high109 Ų10952.5 Ų52.571%0.70829%0.294SS*.Hα-helixtrans-54.4-49.8-170.2-29.836000114.8K177 E178P174-K177 PolarHBondContact O-N 2.98Å; P174-E178 WeakPolarHBondContact O-CB 3.35Å; P174-E178 PolarHBondContact O-N 3.39Å
175V98.3Very high98.6Very high101 Ų10151.5 Ų51.561%0.61229%0.293SS*.Hα-helixtrans-68-38.4-178.8178.90000111.4N173 E178 R179N173-V175 PolarHBondContact O-N 2.91Å; V175-E178 PolarHBondContact O-N 2.95Å; V175-R179 PolarHBondContact O-N 2.69Å
176E98.8Very high98.6Very high6 Ų651.9 Ų51.93%0.02830%0.296CS..Hα-helixtrans-66.7-46178.1-57.4-59.2112.600111.2N173 E178 R179 I180 S199 R200N173-E176 HydrophobicContact CB-CB 4.12Å; N173-E176 HydrophobicContact CB-CG 3.82Å; N173-E176 PolarHBondContact O-N 3.26Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 3.5Å; E176-R179 PolarHBondContact O-N 3.09Å; E176-R179 IonicContact OE1-NH1 2.72Å; E176-R179 IonicContact OE2-CZ 3.09Å; E176-R179 IonicContact OE2-NH1 2.68Å; E176-R179 PolarHBondContact OE2-NH1 3.42Å; E176-R179 IonicContact OE2-NH2 2.69Å; E176-I180 WeakPolarHBondContact O-CD1 3.43Å; E176-I180 VanDerWaalsContact O-CG1 3.22Å; E176-I180 WeakPolarHBondContact O-CG1 3.25Å; E176-I180 PolarHBondContact O-N 3.16Å; E176-S199 VanDerWaalsContact CD-OG 3.3Å; E176-S199 VanDerWaalsContact CG-OG 3.26Å; E176-S199 WeakPolarHBondContact CG-OG 3.49Å; E176-S199 VanDerWaalsContact OE2-CB 3.27Å; E176-S199 WeakPolarHBondContact OE2-CB 3.49Å; E176-S199 PolarHBondContact OE2-OG 3.22Å; E176-R200 IonicContact OE1-CZ 3.59Å; E176-R200 IonicContact OE1-NE 2.66Å; E176-R200 PolarHBondContact OE1-NE 3.37Å; E176-R200 IonicContact OE1-NH2 3.41Å; E176-R200 PolarHBondContact OE1-NH2 3.09Å; E176-R200 WeakPolarHBondContact OE2-CG 3.46Å; E176-R200 IonicContact OE2-NE 3.47Å; E176-R200 PolarHBondContact OE2-NE 3.46Å; E176-R200 VanDerWaalsContact OE2-NE 3.14Å
177K98.7Very high98.6Very high86 Ų8653.4 Ų53.437%0.37431%0.305SS..Hα-helixtrans-60.7-44.6176.3-178.8175.1179.3-176.30111.4P171 N173 P174 I180 Q181 V187P171-K177 WeakPolarHBondContact O-CB 3.32Å; N173-K177 WeakPolarHBondContact O-CB 3.48Å; N173-K177 PolarHBondContact O-N 3.09Å; P174-K177 PolarHBondContact O-N 2.98Å; K177-I180 PolarHBondContact O-N 2.93Å; K177-Q181 HydrophobicContact CG-CG 4.45Å; K177-Q181 WeakPolarHBondContact O-CB 3.46Å; K177-Q181 VanDerWaalsContact O-CG 3.27Å; K177-Q181 WeakPolarHBondContact O-CG 3.44Å; K177-Q181 PolarHBondContact O-N 3.13Å; K177-V187 HydrophobicContact CB-CG2 4.23Å; K177-V187 HydrophobicContact CG-CB 4.39Å; K177-V187 HydrophobicContact CG-CG2 3.88Å
178E98.8Very high98.4Very high114 Ų11452.4 Ų52.453%0.53330%0.302SS..Hα-helixtrans-59.8-48.2176.9178.6174.7-165.900111P174 V175 E176 I180 Q181 N182P174-E178 WeakPolarHBondContact O-CB 3.35Å; P174-E178 PolarHBondContact O-N 3.39Å; V175-E178 PolarHBondContact O-N 2.95Å; E176-E178 VanDerWaalsContact C-N 3.35Å; E176-E178 PolarHBondContact O-N 3.5Å; E178-I180 PolarHBondContact O-N 3.27Å; E178-Q181 PolarHBondContact O-N 3.4Å; E178-N182 WeakPolarHBondContact CG-ND2 3.45Å; E178-N182 VanDerWaalsContact O-CB 3.32Å; E178-N182 WeakPolarHBondContact O-CB 3.29Å; E178-N182 VanDerWaalsContact O-CG 3.23Å; E178-N182 PolarHBondContact O-N 2.86Å; E178-N182 PolarHBondContact O-ND2 2.95Å
179R98.8Very high98.1Very high28 Ų2858.9 Ų58.911%0.10633%0.334CS..Hα-helixtrans-57.1-49.1175.1-173.3-160.765-124.8-4111.6V175 E176 Q181 N182 A183 S199 T216 Q218 L219V175-R179 PolarHBondContact O-N 2.69Å; E176-R179 PolarHBondContact O-N 3.09Å; E176-R179 IonicContact OE1-NH1 2.72Å; E176-R179 IonicContact OE2-CZ 3.09Å; E176-R179 IonicContact OE2-NH1 2.68Å; E176-R179 PolarHBondContact OE2-NH1 3.42Å; E176-R179 IonicContact OE2-NH2 2.69Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 2.94Å; R179-N182 PolarHBondContact O-N 3Å; R179-A183 WeakPolarHBondContact O-CB 3.5Å; R179-A183 PolarHBondContact O-N 3Å; R179-S199 PolarHBondContact NH2-O 3.25Å; R179-T216 WeakPolarHBondContact CD-O 3.43Å; R179-Q218 VanDerWaalsContact CD-O 3.31Å; R179-Q218 WeakPolarHBondContact CD-O 3.2Å; R179-Q218 PolarHBondContact NE-O 3.02Å; R179-L219 PolarHBondContact NH2-O 3.14Å
180I98.9Very high97.9Very high0 Ų064.8 Ų64.80%036%0.362CS..Hα-helixtrans-57.2-45.1179.2-70.2158.3000111.1P171 E176 K177 E178 A183 G184 G185 V187 V192 L219P171-I180 HydrophobicContact CB-CD1 3.93Å; E176-I180 WeakPolarHBondContact O-CD1 3.43Å; E176-I180 VanDerWaalsContact O-CG1 3.22Å; E176-I180 WeakPolarHBondContact O-CG1 3.25Å; E176-I180 PolarHBondContact O-N 3.16Å; K177-I180 PolarHBondContact O-N 2.93Å; E178-I180 PolarHBondContact O-N 3.27Å; I180-A183 PolarHBondContact O-N 2.86Å; I180-G184 PolarHBondContact O-N 2.9Å; I180-G185 WeakPolarHBondContact O-CA 3.33Å; I180-G185 PolarHBondContact O-N 3.45Å; I180-V187 HydrophobicContact CB-CG2 4.34Å; I180-V187 HydrophobicContact CD1-CG2 3.84Å; I180-V187 HydrophobicContact CG2-CG2 4.05Å; I180-V192 HydrophobicContact CD1-CG2 3.8Å; I180-V192 HydrophobicContact CG1-CG2 4.41Å; I180-V192 HydrophobicContact CG2-CG1 4.2Å; I180-L219 VanDerWaalsContact CG1-O 3.29Å; I180-L219 WeakPolarHBondContact CG1-O 3.42Å; I180-L219 HydrophobicContact CG2-CD2 4.24Å
181Q98.6Very high97.9Very high102 Ų10268 Ų6848%0.47737%0.373SS..Hα-helixtrans-67.6-42178.7-71.8177.4-37.800112K177 E178 R179 A183 G184K177-Q181 HydrophobicContact CG-CG 4.45Å; K177-Q181 WeakPolarHBondContact O-CB 3.46Å; K177-Q181 VanDerWaalsContact O-CG 3.27Å; K177-Q181 WeakPolarHBondContact O-CG 3.44Å; K177-Q181 PolarHBondContact O-N 3.13Å; E178-Q181 PolarHBondContact O-N 3.4Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 2.94Å; Q181-A183 PolarHBondContact O-N 2.95Å; Q181-G184 PolarHBondContact O-N 2.89Å
182N98.7Very high97.8Very high97 Ų9768 Ų6852%0.51937%0.373SS..Hα-helixtrans-66.4-22.7176.7-73.2-20.9000112.9E178 R179 G184 K213E178-N182 WeakPolarHBondContact CG-ND2 3.45Å; E178-N182 VanDerWaalsContact O-CB 3.32Å; E178-N182 WeakPolarHBondContact O-CB 3.29Å; E178-N182 VanDerWaalsContact O-CG 3.23Å; E178-N182 PolarHBondContact O-N 2.86Å; E178-N182 PolarHBondContact O-ND2 2.95Å; R179-N182 PolarHBondContact O-N 3Å; N182-G184 VanDerWaalsContact C-N 3.29Å; N182-K213 WeakPolarHBondContact O-CE 3.11Å; N182-K213 PolarHBondContact O-NZ 2.91Å
183A98.7Very high97.8Very high8 Ų868.1 Ų68.17%0.06637%0.37CS..THydrogen-bonded Turntrans-86.77.6171.100000113.2R179 I180 Q181 G185 V210 E217 L219R179-A183 WeakPolarHBondContact O-CB 3.5Å; R179-A183 PolarHBondContact O-N 3Å; I180-A183 PolarHBondContact O-N 2.86Å; Q181-A183 PolarHBondContact O-N 2.95Å; A183-G185 VanDerWaalsContact C-N 3.35Å; A183-V210 HydrophobicContact CB-CG2 4.31Å; A183-V210 WeakPolarHBondContact O-CG1 3.41Å; A183-E217 WeakPolarHBondContact CB-O 3.14Å; A183-L219 HydrophobicContact CB-CD2 3.85Å; A183-L219 HydrophobicContact CB-CG 4.31Å
184G98.6Very high97.7Very high73 Ų7367.3 Ų67.375%0.75337%0.374SS*.THydrogen-bonded Turntrans83.45.717700000115I180 Q181 N182I180-G184 PolarHBondContact O-N 2.9Å; Q181-G184 PolarHBondContact O-N 2.89Å; N182-G184 VanDerWaalsContact C-N 3.29Å
185G98.4Very high97.6Very high14 Ų1465.3 Ų65.314%0.14436%0.363CS..  trans-91.5-171.7176.100000114I180 A183 N193I180-G185 WeakPolarHBondContact O-CA 3.33Å; I180-G185 PolarHBondContact O-N 3.45Å; A183-G185 VanDerWaalsContact C-N 3.35Å; G185-N193 WeakPolarHBondContact CA-OD1 3.43Å
186S98.1Very high97.4Very high37 Ų3761.5 Ų61.526%0.25934%0.339SS..  trans-143.4160.4177.363.50000111.3M188 N193S186-M188 VanDerWaalsContact OG-CE 3.24Å; S186-M188 WeakPolarHBondContact OG-CE 3.46Å; S186-N193 PolarHBondContact N-OD1 3.23Å; S186-N193 PolarHBondContact O-N 3.33Å; S186-N193 PolarHBondContact O-OD1 3.46Å; S186-N193 PolarHBondContact OG-OD1 3.4Å
187V98.4Very high97.4Very high35 Ų3562.9 Ų62.921%0.21235%0.351CS..EExtended strand (participates in β ladder)trans-111.8112.1174.2179.60000108.3P171 K177 I180 R191P171-V187 HydrophobicContact CB-CG1 3.91Å; P171-V187 HydrophobicContact CB-CG2 4.14Å; P171-V187 WeakPolarHBondContact O-CG2 3.21Å; K177-V187 HydrophobicContact CB-CG2 4.23Å; K177-V187 HydrophobicContact CG-CB 4.39Å; K177-V187 HydrophobicContact CG-CG2 3.88Å; I180-V187 HydrophobicContact CB-CG2 4.34Å; I180-V187 HydrophobicContact CD1-CG2 3.84Å; I180-V187 HydrophobicContact CG2-CG2 4.05Å; V187-R191 WeakPolarHBondContact CA-O 3.28Å
188M96.3Very high97.3Very high103 Ų10359.1 Ų59.151%0.50734%0.335SS..EExtended strand (participates in β ladder)trans-117.1117.8-179.4-55-175.6-173.200108.9S186 Q190 R191S186-M188 VanDerWaalsContact OG-CE 3.24Å; S186-M188 WeakPolarHBondContact OG-CE 3.46Å; M188-Q190 VanDerWaalsContact C-N 3.29Å; M188-Q190 PolarHBondContact O-N 2.82Å; M188-R191 PolarHBondContact N-O 3.46Å; M188-R191 WeakPolarHBondContact O-CB 3.5Å; M188-R191 PolarHBondContact O-N 2.82Å
189I91.9Very high97.4Very high163 Ų16353.7 Ų53.784%0.83631%0.31SS*.THydrogen-bonded Turntrans50.150.3178.2-41.7177.7000111.4R191I189-R191 PolarHBondContact O-N 2.94Å
190Q94.1Very high97.4Very high127 Ų12753.2 Ų53.259%0.59331%0.308SS*.THydrogen-bonded Turntrans66.412.2-178.1-47.2178.617.900115.8P171 C172 M188P171-Q190 WeakPolarHBondContact CB-O 3.34Å; P171-Q190 WeakPolarHBondContact CD-O 3.22Å; P171-Q190 VanDerWaalsContact CG-O 3.26Å; P171-Q190 WeakPolarHBondContact CG-O 3.49Å; C172-Q190 HydrophobicContact CB-CG 4.42Å; M188-Q190 VanDerWaalsContact C-N 3.29Å; M188-Q190 PolarHBondContact O-N 2.82Å
191R98.2Very high97.4Very high112 Ų11253.2 Ų53.242%0.42331%0.308SS..EExtended strand (participates in β ladder)trans-118.2142-179.4-64.5174177-84.2-11.3112.9V187 M188 I189 N193 G194 S195 L196 A197V187-R191 WeakPolarHBondContact CA-O 3.28Å; M188-R191 PolarHBondContact N-O 3.46Å; M188-R191 WeakPolarHBondContact O-CB 3.5Å; M188-R191 PolarHBondContact O-N 2.82Å; I189-R191 PolarHBondContact O-N 2.94Å; R191-N193 PolarHBondContact O-N 3.07Å; R191-G194 PolarHBondContact O-N 2.94Å; R191-S195 WeakPolarHBondContact CD-O 3.19Å; R191-S195 PolarHBondContact NH1-O 2.84Å; R191-L196 CarbonylContact C-O 3.45Å; R191-L196 WeakPolarHBondContact CA-O 3.42Å; R191-L196 WeakPolarHBondContact CB-O 3.34Å; R191-A197 HydrophobicContact CG-CB 4.44Å
192V97.6Very high97.4Very high0 Ų048.3 Ų48.30%029%0.285CS..EExtended strand (participates in β ladder)trans-63.8117170.4-171.80000108.4P171 I180 G194 S195 L196 V198 Y207 L219P171-V192 HydrophobicContact CB-CG2 4.04Å; P171-V192 HydrophobicContact CG-CG2 3.69Å; I180-V192 HydrophobicContact CD1-CG2 3.8Å; I180-V192 HydrophobicContact CG1-CG2 4.41Å; I180-V192 HydrophobicContact CG2-CG1 4.2Å; V192-G194 PolarHBondContact O-N 3.33Å; V192-S195 PolarHBondContact O-N 2.89Å; V192-L196 HydrophobicContact CB-CB 4.31Å; V192-L196 PolarHBondContact N-O 3.28Å; V192-L196 PolarHBondContact O-N 3.29Å; V192-V198 WeakPolarHBondContact CG2-O 3.48Å; V192-Y207 HydrophobicContact CB-CE1 4.41Å; V192-Y207 HydrophobicContact CG1-CD1 3.99Å; V192-Y207 HydrophobicContact CG1-CE1 4.13Å; V192-L219 HydrophobicContact CG1-CB 4.06Å
193N97.6Very high97.4Very high62 Ų6243.7 Ų43.733%0.33226%0.261SS..THydrogen-bonded Turntrans49.234-175.4-62.1-24.8000113.2G185 S186 R191 S195G185-N193 WeakPolarHBondContact CA-OD1 3.43Å; S186-N193 PolarHBondContact N-OD1 3.23Å; S186-N193 PolarHBondContact O-N 3.33Å; S186-N193 PolarHBondContact O-OD1 3.46Å; S186-N193 PolarHBondContact OG-OD1 3.4Å; R191-N193 PolarHBondContact O-N 3.07Å; N193-S195 PolarHBondContact O-N 2.87Å; N193-S195 PolarHBondContact O-OG 2.66Å
194G96.2Very high97.3Very high37 Ų3743.7 Ų43.738%0.38126%0.26SS..THydrogen-bonded Turntrans72.44-178.900000115.4R191 V192R191-G194 PolarHBondContact O-N 2.94Å; V192-G194 PolarHBondContact O-N 3.33Å
195S95.8Very high97.3Very high67 Ų6741.2 Ų41.247%0.46923%0.228SC..THydrogen-bonded Turntrans-111.1-68.6-172.1-61.10000112.6R191 V192 N193 Y207R191-S195 WeakPolarHBondContact CD-O 3.19Å; R191-S195 PolarHBondContact NH1-O 2.84Å; V192-S195 PolarHBondContact O-N 2.89Å; N193-S195 PolarHBondContact O-N 2.87Å; N193-S195 PolarHBondContact O-OG 2.66Å; S195-Y207 VanDerWaalsContact CB-OH 3.22Å; S195-Y207 WeakPolarHBondContact CB-OH 3.38Å
196L94.9Very high97.2Very high21 Ų2145 Ų4511%0.1125%0.245CC..BIsolated β-bridgetrans-87.3131.5-171.4-16467.5000112.1R191 V192 V198 Y207 V220R191-L196 CarbonylContact C-O 3.45Å; R191-L196 WeakPolarHBondContact CA-O 3.42Å; R191-L196 WeakPolarHBondContact CB-O 3.34Å; V192-L196 HydrophobicContact CB-CB 4.31Å; V192-L196 PolarHBondContact N-O 3.28Å; V192-L196 PolarHBondContact O-N 3.29Å; L196-V198 HydrophobicContact CD1-CG2 4.24Å; L196-V198 HydrophobicContact CD2-CG2 3.85Å; L196-V198 HydrophobicContact CG-CG2 3.8Å; L196-Y207 HydrophobicContact CB-CE1 4.35Å; L196-Y207 HydrophobicContact CB-CE2 4.49Å; L196-Y207 HydrophobicContact CD2-CD2 4.41Å; L196-Y207 HydrophobicContact CD2-CE2 4.38Å; L196-V220 HydrophobicContact CD2-CG1 4.48Å; L196-V220 HydrophobicContact CD2-CG2 3.47Å; L196-V220 VanDerWaalsContact CD2-CG2 3.47Å
197A97.4Very high97.2Very high34 Ų3445.4 Ų45.428%0.28124%0.241SC..SBendtrans-85.3-11.5-175.700000114.4P171 R191P171-A197 WeakPolarHBondContact CD-O 3.26Å; R191-A197 HydrophobicContact CG-CB 4.44Å
198V98.4Very high97.1Very high7 Ų744 Ų444%0.04223%0.232CC..  trans-106.1148.9175.7-67.30000110.7T133 D151 V192 L196 A201T133-V198 HydrophobicContact CG2-CG1 4.43Å; D151-V198 HydrophobicContact CB-CG1 4.16Å; D151-V198 WeakPolarHBondContact OD1-CG1 3.29Å; D151-V198 VanDerWaalsContact OD2-CG1 3.25Å; D151-V198 WeakPolarHBondContact OD2-CG1 3.43Å; V192-V198 WeakPolarHBondContact CG2-O 3.48Å; L196-V198 HydrophobicContact CD1-CG2 4.24Å; L196-V198 HydrophobicContact CD2-CG2 3.85Å; L196-V198 HydrophobicContact CG-CG2 3.8Å; V198-A201 HydrophobicContact CG2-CB 4.27Å
199S98.8Very high97.2Very high0 Ų043.5 Ų43.50%024%0.237CC..SBendtrans-98.8-16.6172.964.80000112.9H169 E176 R179 V220 S221H169-S199 VanDerWaalsContact C-OG 3.23Å; H169-S199 PolarHBondContact O-N 3.29Å; H169-S199 PolarHBondContact O-OG 3.43Å; H169-S199 VanDerWaalsContact O-OG 3.07Å; E176-S199 VanDerWaalsContact CD-OG 3.3Å; E176-S199 VanDerWaalsContact CG-OG 3.26Å; E176-S199 WeakPolarHBondContact CG-OG 3.49Å; E176-S199 VanDerWaalsContact OE2-CB 3.27Å; E176-S199 WeakPolarHBondContact OE2-CB 3.49Å; E176-S199 PolarHBondContact OE2-OG 3.22Å; R179-S199 PolarHBondContact NH2-O 3.25Å; S199-V220 WeakPolarHBondContact O-CA 3.41Å; S199-S221 PolarHBondContact O-N 2.88Å; S199-S221 VanDerWaalsContact O-N 3.17Å
200R98.9Very high97.5Very high18 Ų1837.6 Ų37.67%0.06821%0.209CC..BIsolated β-bridgetrans-131.5138.1176.1-56.9-159.1-164.3165.219.4110.3G150 H169 E176 S221 E223 E225G150-R200 WeakPolarHBondContact CA-O 3.28Å; G150-R200 PolarHBondContact N-O 3.47Å; H169-R200 HydrophobicContact CB-CB 3.87Å; H169-R200 HydrophobicContact CB-CG 3.86Å; H169-R200 VanDerWaalsContact CD2-CD 3.45Å; H169-R200 WeakPolarHBondContact CD2-CD 3.3Å; H169-R200 VanDerWaalsContact CD2-CZ 3.44Å; H169-R200 PolarHBondContact CD2-NE 2.96Å; H169-R200 VanDerWaalsContact CD2-NE 3.27Å; H169-R200 VanDerWaalsContact NE2-CZ 3.31Å; H169-R200 PolarHBondContact NE2-NH1 2.98Å; E176-R200 IonicContact OE1-CZ 3.59Å; E176-R200 IonicContact OE1-NE 2.66Å; E176-R200 PolarHBondContact OE1-NE 3.37Å; E176-R200 IonicContact OE1-NH2 3.41Å; E176-R200 PolarHBondContact OE1-NH2 3.09Å; E176-R200 WeakPolarHBondContact OE2-CG 3.46Å; E176-R200 IonicContact OE2-NE 3.47Å; E176-R200 PolarHBondContact OE2-NE 3.46Å; E176-R200 VanDerWaalsContact OE2-NE 3.14Å; R200-S221 CarbonylContact C-O 3.44Å; R200-S221 WeakPolarHBondContact CA-O 3.35Å; R200-S221 WeakPolarHBondContact CB-O 3.4Å; R200-E223 WeakPolarHBondContact CD-O 3.49Å; R200-E223 PolarHBondContact NH1-O 2.92Å; R200-E225 IonicContact CZ-OE1 3.55Å; R200-E225 IonicContact NH1-OE1 3.56Å; R200-E225 IonicContact NH2-OE1 3.56Å; R200-E225 PolarHBondContact NH2-OE1 3.19Å
201A98.9Very high97.6Very high0 Ų039 Ų390%022%0.221CC..  trans-168.8154.9178.800000110.1S132 V198 D204 K208 V220 S221S132-A201 WeakPolarHBondContact O-CA 3.44Å; S132-A201 WeakPolarHBondContact O-CB 3.46Å; V198-A201 HydrophobicContact CG2-CB 4.27Å; A201-D204 VanDerWaalsContact CB-OD2 3.23Å; A201-D204 WeakPolarHBondContact CB-OD2 3.28Å; A201-K208 PolarHBondContact O-NZ 2.88Å; A201-V220 HydrophobicContact CB-CG1 3.96Å; A201-S221 PolarHBondContact N-O 3.25Å
202L98.9Very high97.6Very high0 Ų037.7 Ų37.70%024%0.242CC..EExtended strand (participates in β ladder)trans-79.6151.9160.2-65.1169.5000108.8V67 C71 F110 I113 D114 M117 G131 S132 P222V67-L202 HydrophobicContact CG1-CB 4.01Å; C71-L202 WeakPolarHBondContact SG-CD1 3.43Å; F110-L202 HydrophobicContact CD1-CD1 4.08Å; F110-L202 HydrophobicContact CD1-CD2 4.03Å; F110-L202 HydrophobicContact CD1-CG 4.2Å; F110-L202 HydrophobicContact CE1-CD1 4.15Å; I113-L202 HydrophobicContact CG2-CD1 4.15Å; I113-L202 HydrophobicContact CG2-CD2 3.96Å; D114-L202 HydrophobicContact CB-CD2 3.71Å; D114-L202 WeakPolarHBondContact OD1-CA 3.24Å; M117-L202 HydrophobicContact CE-CB 4.07Å; G131-L202 CarbonylContact C-O 3.45Å; G131-L202 WeakPolarHBondContact CA-O 3.09Å; S132-L202 PolarHBondContact N-O 2.59Å; S132-L202 PolarHBondContact O-N 3Å; L202-P222 HydrophobicContact CD2-CB 4.01Å
203G98.4Very high97.7Very high0 Ų041 Ų410%026%0.256CS..EExtended strand (participates in β ladder)trans79.7-138.9-174.100000112.7D114 Y205 K208D114-G203 PolarHBondContact OD1-N 3.44Å; G203-Y205 VanDerWaalsContact C-N 3.29Å; G203-Y205 PolarHBondContact O-N 3.26Å; G203-K208 WeakPolarHBondContact O-CD 3.3Å; G203-K208 WeakPolarHBondContact O-CE 3.08Å; G203-K208 PolarHBondContact O-NZ 3.18Å
204D97.9Very high97.7Very high8 Ų839.3 Ų39.34%0.04325%0.253CS..  trans52.341.1177.1-69.5-49.7000114.3H62 S130 A201 D206 Y207 V220H62-D204 IonicContact CD2-OD1 3.21Å; H62-D204 IonicContact CE1-OD1 3.18Å; H62-D204 IonicContact CE1-OD2 3.98Å; H62-D204 PolarHBondContact CE1-OD2 3.44Å; H62-D204 IonicContact NE2-OD1 2.89Å; H62-D204 PolarHBondContact NE2-OD1 3.1Å; H62-D204 IonicContact NE2-OD2 2.89Å; H62-D204 PolarHBondContact NE2-OD2 3.47Å; S130-D204 PolarHBondContact O-N 3.25Å; A201-D204 VanDerWaalsContact CB-OD2 3.23Å; A201-D204 WeakPolarHBondContact CB-OD2 3.28Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.1Å; D204-Y207 HydrophobicContact CB-CD2 4.11Å; D204-Y207 WeakPolarHBondContact O-CB 3.19Å; D204-Y207 PolarHBondContact O-N 3.33Å; D204-V220 HydrophobicContact CB-CG1 4.34Å
205Y97.6Very high97.8Very high20 Ų2041.2 Ų41.28%0.07826%0.259CS..G310 helixtrans-64-24.3-167.6-58.4-58.9000114.7D114 M117 R118 L123 G203 Y207 K208 C209D114-Y205 WeakPolarHBondContact O-CE1 3.26Å; D114-Y205 PolarHBondContact O-OH 3.41Å; M117-Y205 VanDerWaalsContact C-OH 3.27Å; M117-Y205 WeakPolarHBondContact CB-OH 3.4Å; R118-Y205 VanDerWaalsContact CA-CZ 3.49Å; R118-Y205 HydrophobicContact CB-CD1 4.04Å; R118-Y205 HydrophobicContact CB-CE1 3.65Å; R118-Y205 HydrophobicContact CB-CE2 4.26Å; R118-Y205 HydrophobicContact CB-CG 4.5Å; R118-Y205 HydrophobicContact CG-CD1 4.12Å; R118-Y205 HydrophobicContact CG-CE1 4.25Å; R118-Y205 HydrophobicContact CG-CG 4.37Å; R118-Y205 PolarHBondContact N-OH 2.82Å; L123-Y205 HydrophobicContact CB-CD2 4.05Å; L123-Y205 HydrophobicContact CB-CE2 3.92Å; L123-Y205 HydrophobicContact CD1-CE2 3.91Å; L123-Y205 HydrophobicContact CD2-CD2 4.46Å; L123-Y205 HydrophobicContact CD2-CE2 4.26Å; L123-Y205 HydrophobicContact CG-CE2 4.24Å; G203-Y205 VanDerWaalsContact C-N 3.29Å; G203-Y205 PolarHBondContact O-N 3.26Å; Y205-Y207 PolarHBondContact O-N 2.67Å; Y205-Y207 VanDerWaalsContact O-N 3.12Å; Y205-K208 HydrophobicContact CD1-CD 4.23Å; Y205-K208 PolarHBondContact O-N 3.23Å; Y205-C209 PolarHBondContact O-SG 3.23Å
206D95.9Very high97.9Very high94 Ų9439.5 Ų39.550%0.50325%0.245SC..G310 helixtrans-55.1-27.3170.6-76.5-5.9000112.1R129 D204R129-D206 WeakPolarHBondContact CD-OD2 3.29Å; R129-D206 IonicContact CZ-OD2 2.84Å; R129-D206 IonicContact NE-OD2 3.56Å; R129-D206 IonicContact NH1-OD2 2.71Å; R129-D206 PolarHBondContact NH1-OD2 2.94Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.1Å
207Y98.1Very high98.1Very high45 Ų4542.9 Ų42.918%0.17626%0.261CS..G310 helixtrans-94.72.6178.9-64.2-90.5000113.7V192 S195 L196 D204 Y205 L219 V220V192-Y207 HydrophobicContact CB-CE1 4.41Å; V192-Y207 HydrophobicContact CG1-CD1 3.99Å; V192-Y207 HydrophobicContact CG1-CE1 4.13Å; S195-Y207 VanDerWaalsContact CB-OH 3.22Å; S195-Y207 WeakPolarHBondContact CB-OH 3.38Å; L196-Y207 HydrophobicContact CB-CE1 4.35Å; L196-Y207 HydrophobicContact CB-CE2 4.49Å; L196-Y207 HydrophobicContact CD2-CD2 4.41Å; L196-Y207 HydrophobicContact CD2-CE2 4.38Å; D204-Y207 HydrophobicContact CB-CD2 4.11Å; D204-Y207 WeakPolarHBondContact O-CB 3.19Å; D204-Y207 PolarHBondContact O-N 3.33Å; Y205-Y207 PolarHBondContact O-N 2.67Å; Y205-Y207 VanDerWaalsContact O-N 3.12Å; Y207-L219 HydrophobicContact CD1-CB 4.29Å; Y207-L219 HydrophobicContact CD1-CD1 4.19Å; Y207-L219 WeakPolarHBondContact O-CB 3.4Å; Y207-L219 PolarHBondContact O-N 3Å; Y207-V220 HydrophobicContact CD1-CG2 4.15Å; Y207-V220 HydrophobicContact CD2-CG2 4.45Å; Y207-V220 HydrophobicContact CG-CG2 3.8Å
208K98Very high98.2Very high6 Ų641.8 Ų41.83%0.02625%0.25CC..SBendtrans-123.130-173.4-60.6178.2178.6170.50113.2D114 R118 A201 G203 Y205 Q218 V220D114-K208 IonicContact OD1-NZ 3.79Å; D114-K208 PolarHBondContact OD1-NZ 3.34Å; D114-K208 IonicContact OD2-NZ 3.34Å; D114-K208 PolarHBondContact OD2-NZ 2.94Å; R118-K208 PolarHBondContact NH2-O 2.89Å; A201-K208 PolarHBondContact O-NZ 2.88Å; G203-K208 WeakPolarHBondContact O-CD 3.3Å; G203-K208 WeakPolarHBondContact O-CE 3.08Å; G203-K208 PolarHBondContact O-NZ 3.18Å; Y205-K208 HydrophobicContact CD1-CD 4.23Å; Y205-K208 PolarHBondContact O-N 3.23Å; K208-Q218 VanDerWaalsContact CA-OE1 3.28Å; K208-Q218 HydrophobicContact CB-CB 4.28Å; K208-Q218 HydrophobicContact CB-CG 4.05Å; K208-Q218 HydrophobicContact CG-CB 4.13Å; K208-Q218 HydrophobicContact CG-CG 4.35Å; K208-Q218 PolarHBondContact O-OE1 3.21Å; K208-V220 VanDerWaalsContact CE-O 3.29Å; K208-V220 WeakPolarHBondContact CE-O 2.87Å; K208-V220 WeakPolarHBondContact CG-O 3.47Å
209C96.9Very high98.2Very high92 Ų9242.3 Ų42.362%0.62225%0.252SS*.  trans-116.421.6-176-67.20000113.3Y205 D211Y205-C209 PolarHBondContact O-SG 3.23Å; C209-D211 PolarHBondContact O-N 3.45Å
210V98.3Very high98.2Very high39 Ų3942.3 Ų42.324%0.23625%0.252CS..  trans-77.9116.1178.9-176.30000109.7A183 K213 Q218 L219A183-V210 HydrophobicContact CB-CG2 4.31Å; A183-V210 WeakPolarHBondContact O-CG1 3.41Å; V210-K213 HydrophobicContact CB-CB 4.32Å; V210-K213 HydrophobicContact CB-CG 4.15Å; V210-K213 HydrophobicContact CG1-CB 4.33Å; V210-K213 HydrophobicContact CG1-CG 3.65Å; V210-K213 PolarHBondContact O-N 3.35Å; V210-Q218 PolarHBondContact O-NE2 3.47Å; V210-L219 HydrophobicContact CG2-CD1 4.42Å; V210-L219 HydrophobicContact CG2-CG 4.08Å
211D97.8Very high98.2Very high158 Ų15841.5 Ų41.585%0.84525%0.249SC*.THydrogen-bonded Turntrans-59.4139178.3-70.7-34.5000112C209 K213C209-D211 PolarHBondContact O-N 3.45Å; D211-K213 PolarHBondContact O-N 2.77Å
212G97.6Very high98.2Very high84 Ų8441.5 Ų41.587%0.86625%0.25SC*.THydrogen-bonded Turntrans73.98.8177.800000115.1
213K98.3Very high98.2Very high70 Ų7043.9 Ų43.930%0.30426%0.26SS..  trans-110.2135.5174.5-65.7-62.6-175.4172.50111.2N182 V210 D211 E217 Q218N182-K213 WeakPolarHBondContact O-CE 3.11Å; N182-K213 PolarHBondContact O-NZ 2.91Å; V210-K213 HydrophobicContact CB-CB 4.32Å; V210-K213 HydrophobicContact CB-CG 4.15Å; V210-K213 HydrophobicContact CG1-CB 4.33Å; V210-K213 HydrophobicContact CG1-CG 3.65Å; V210-K213 PolarHBondContact O-N 3.35Å; D211-K213 PolarHBondContact O-N 2.77Å; K213-E217 HydrophobicContact CB-CB 4.04Å; K213-E217 HydrophobicContact CD-CB 4.03Å; K213-Q218 PolarHBondContact O-NE2 2.87Å
214G98.3Very high98.2Very high26 Ų2644.3 Ų44.327%0.26826%0.264SS..  trans-64.5168.5171.600000112.2T216 E217G214-T216 PolarHBondContact O-N 2.91Å; G214-T216 VanDerWaalsContact O-N 3.14Å; G214-E217 PolarHBondContact N-OE2 3.47Å; G214-E217 PolarHBondContact O-N 3.37Å
215P98.3Very high98.2Very high76 Ų7646.3 Ų46.349%0.49427%0.272SS..G310 helixtrans-55.8-34.2-177.1-26.934.9000114.2Q218 P222P215-Q218 WeakPolarHBondContact O-CG 3.35Å; P215-P222 VanDerWaalsContact O-CD 3.31Å; P215-P222 WeakPolarHBondContact O-CD 3.39Å
216T98.7Very high98.3Very high31 Ų3146.3 Ų46.319%0.1928%0.275CS..G310 helixtrans-91.3-1.6-177.666.50000113.4L111 R179 G214 E223L111-T216 HydrophobicContact CD1-CG2 4.37Å; L111-T216 HydrophobicContact CD2-CG2 3.78Å; R179-T216 WeakPolarHBondContact CD-O 3.43Å; G214-T216 PolarHBondContact O-N 2.91Å; G214-T216 VanDerWaalsContact O-N 3.14Å; T216-E223 WeakPolarHBondContact CB-OE2 3.26Å; T216-E223 HydrophobicContact CG2-CB 3.74Å; T216-E223 HydrophobicContact CG2-CG 4.16Å
217E98.8Very high98.4Very high93 Ų9345.8 Ų45.844%0.43527%0.266SS..G310 helixtrans-107.610.6-179.8-55.6179.1120.400112.1A183 K213 G214A183-E217 WeakPolarHBondContact CB-O 3.14Å; K213-E217 HydrophobicContact CB-CB 4.04Å; K213-E217 HydrophobicContact CD-CB 4.03Å; G214-E217 PolarHBondContact N-OE2 3.47Å; G214-E217 PolarHBondContact O-N 3.37Å
218Q98.8Very high98.5Very high11 Ų1147.6 Ų47.65%0.05128%0.276CS..SBendtrans-74.9174.7177.9-65.4-62.4-33.900111.9R179 K208 V210 K213 P215 V220R179-Q218 VanDerWaalsContact CD-O 3.31Å; R179-Q218 WeakPolarHBondContact CD-O 3.2Å; R179-Q218 PolarHBondContact NE-O 3.02Å; K208-Q218 VanDerWaalsContact CA-OE1 3.28Å; K208-Q218 HydrophobicContact CB-CB 4.28Å; K208-Q218 HydrophobicContact CB-CG 4.05Å; K208-Q218 HydrophobicContact CG-CB 4.13Å; K208-Q218 HydrophobicContact CG-CG 4.35Å; K208-Q218 PolarHBondContact O-OE1 3.21Å; V210-Q218 PolarHBondContact O-NE2 3.47Å; K213-Q218 PolarHBondContact O-NE2 2.87Å; P215-Q218 WeakPolarHBondContact O-CG 3.35Å; Q218-V220 VanDerWaalsContact C-N 3.28Å; Q218-V220 WeakPolarHBondContact CB-O 3.47Å; Q218-V220 PolarHBondContact O-N 3.29Å
219L98.8Very high98.5Very high17 Ų1748.5 Ų48.59%0.08928%0.281CS..SBendtrans-60.2-43.3175.2-61.4170000110.6R179 I180 A183 V192 Y207 V210R179-L219 PolarHBondContact NH2-O 3.14Å; I180-L219 VanDerWaalsContact CG1-O 3.29Å; I180-L219 WeakPolarHBondContact CG1-O 3.42Å; I180-L219 HydrophobicContact CG2-CD2 4.24Å; A183-L219 HydrophobicContact CB-CD2 3.85Å; A183-L219 HydrophobicContact CB-CG 4.31Å; V192-L219 HydrophobicContact CG1-CB 4.06Å; Y207-L219 HydrophobicContact CD1-CB 4.29Å; Y207-L219 HydrophobicContact CD1-CD1 4.19Å; Y207-L219 WeakPolarHBondContact O-CB 3.4Å; Y207-L219 PolarHBondContact O-N 3Å; V210-L219 HydrophobicContact CG2-CD1 4.42Å; V210-L219 HydrophobicContact CG2-CG 4.08Å
220V98.8Very high98.6Very high0 Ų048.4 Ų48.40%028%0.277CS..SBendtrans-114.6124.1172.7177.50000108.6L196 S199 A201 D204 Y207 K208 Q218L196-V220 HydrophobicContact CD2-CG1 4.48Å; L196-V220 HydrophobicContact CD2-CG2 3.47Å; L196-V220 VanDerWaalsContact CD2-CG2 3.47Å; S199-V220 WeakPolarHBondContact O-CA 3.41Å; A201-V220 HydrophobicContact CB-CG1 3.96Å; D204-V220 HydrophobicContact CB-CG1 4.34Å; Y207-V220 HydrophobicContact CD1-CG2 4.15Å; Y207-V220 HydrophobicContact CD2-CG2 4.45Å; Y207-V220 HydrophobicContact CG-CG2 3.8Å; K208-V220 VanDerWaalsContact CE-O 3.29Å; K208-V220 WeakPolarHBondContact CE-O 2.87Å; K208-V220 WeakPolarHBondContact CG-O 3.47Å; Q218-V220 VanDerWaalsContact C-N 3.28Å; Q218-V220 WeakPolarHBondContact CB-O 3.47Å; Q218-V220 PolarHBondContact O-N 3.29Å
221S98.9Very high98.6Very high1 Ų149.8 Ų49.81%0.00728%0.278CS..BIsolated β-bridgetrans-95.8137.4-179-1790000111.3S199 R200 A201 E223S199-S221 PolarHBondContact O-N 2.88Å; S199-S221 VanDerWaalsContact O-N 3.17Å; R200-S221 CarbonylContact C-O 3.44Å; R200-S221 WeakPolarHBondContact CA-O 3.35Å; R200-S221 WeakPolarHBondContact CB-O 3.4Å; A201-S221 PolarHBondContact N-O 3.25Å; S221-E223 VanDerWaalsContact C-N 3.28Å; S221-E223 VanDerWaalsContact OG-CB 3.29Å; S221-E223 WeakPolarHBondContact OG-CB 3.38Å; S221-E223 PolarHBondContact OG-N 3.42Å; S221-E223 VanDerWaalsContact OG-N 3.12Å
222P98.9Very high98.6Very high1 Ų143.7 Ų43.71%0.00625%0.25CC..  trans-83.2-1.4168.333-32.7000113.3L111 D114 L202 P215 P224L111-P222 HydrophobicContact CD2-CB 4.44Å; L111-P222 HydrophobicContact CD2-CG 3.73Å; D114-P222 HydrophobicContact CB-CB 3.86Å; D114-P222 HydrophobicContact CB-CG 4.33Å; D114-P222 WeakPolarHBondContact OD2-CB 3.48Å; D114-P222 WeakPolarHBondContact OD2-CG 3.43Å; L202-P222 HydrophobicContact CD2-CB 4.01Å; P215-P222 VanDerWaalsContact O-CD 3.31Å; P215-P222 WeakPolarHBondContact O-CD 3.39Å; P222-P224 WeakPolarHBondContact O-CD 3.47Å
223E98.9Very high98.5Very high49 Ų4946.4 Ų46.423%0.22924%0.24CC..PPolyproline II helixtrans-71.4118.7-174.2-170.8167.4-131.800112.3R107 R200 T216 S221R107-E223 HydrophobicContact CG-CG 4.44Å; R107-E223 IonicContact CZ-OE1 2.91Å; R107-E223 IonicContact NE-OE1 2.79Å; R107-E223 PolarHBondContact NE-OE1 2.94Å; R107-E223 IonicContact NH2-OE1 3.61Å; R107-E223 PolarHBondContact NH2-OE1 3.07Å; R200-E223 WeakPolarHBondContact CD-O 3.49Å; R200-E223 PolarHBondContact NH1-O 2.92Å; T216-E223 WeakPolarHBondContact CB-OE2 3.26Å; T216-E223 HydrophobicContact CG2-CB 3.74Å; T216-E223 HydrophobicContact CG2-CG 4.16Å; S221-E223 VanDerWaalsContact C-N 3.28Å; S221-E223 VanDerWaalsContact OG-CB 3.29Å; S221-E223 WeakPolarHBondContact OG-CB 3.38Å; S221-E223 PolarHBondContact OG-N 3.42Å; S221-E223 VanDerWaalsContact OG-N 3.12Å
224P98.9Very high98.5Very high10 Ų1048 Ų487%0.06525%0.249CC..PPolyproline II helixtrans-77.8151.2177.933.9-35.8000111I106 F110 I147 N148 C149 P222 V226I106-P224 HydrophobicContact CG2-CG 4.04Å; F110-P224 HydrophobicContact CB-CG 3.91Å; F110-P224 HydrophobicContact CD1-CB 3.96Å; F110-P224 HydrophobicContact CD1-CG 4.04Å; F110-P224 HydrophobicContact CD2-CB 4.1Å; F110-P224 HydrophobicContact CD2-CG 3.69Å; F110-P224 HydrophobicContact CE1-CB 3.98Å; F110-P224 HydrophobicContact CE1-CG 4.48Å; F110-P224 HydrophobicContact CE2-CB 4.1Å; F110-P224 HydrophobicContact CE2-CG 4.16Å; F110-P224 HydrophobicContact CG-CB 4.02Å; F110-P224 HydrophobicContact CG-CG 3.61Å; F110-P224 HydrophobicContact CZ-CB 4.04Å; I147-P224 HydrophobicContact CG2-CB 3.96Å; N148-P224 CarbonylContact O-C 3.41Å; N148-P224 VanDerWaalsContact O-CA 3.3Å; N148-P224 WeakPolarHBondContact O-CA 3.43Å; C149-P224 HydrophobicContact CB-CB 4.39Å; P222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-V226 HydrophobicContact CG-CG2 4.43Å
225E98.8Very high98.6Very high49 Ų4946.9 Ų46.923%0.22924%0.237CC..EExtended strand (participates in β ladder)trans-88.7135.5159-71.2-177.1173.300109.6I147 N148 H169 R200 Y227I147-E225 WeakPolarHBondContact CA-O 3.46Å; N148-E225 PolarHBondContact N-O 3.08Å; N148-E225 PolarHBondContact O-N 3.46Å; H169-E225 WeakPolarHBondContact NE2-CG 3.37Å; H169-E225 IonicContact NE2-OE1 3.14Å; H169-E225 IonicContact NE2-OE2 3.06Å; R200-E225 IonicContact CZ-OE1 3.55Å; R200-E225 IonicContact NH1-OE1 3.56Å; R200-E225 IonicContact NH2-OE1 3.56Å; R200-E225 PolarHBondContact NH2-OE1 3.19Å; E225-Y227 HydrophobicContact CB-CE2 4.01Å
226V98.8Very high98.6Very high21 Ų2144.2 Ų44.213%0.12722%0.218CC..EExtended strand (participates in β ladder)trans-127.4121.2-178.9-170.50000110.2K103 I106 F146 I147 P224K103-V226 WeakPolarHBondContact CE-O 3.15Å; K103-V226 HydrophobicContact CG-CB 4.32Å; K103-V226 HydrophobicContact CG-CG1 3.89Å; I106-V226 HydrophobicContact CB-CG2 4.04Å; I106-V226 HydrophobicContact CD1-CG1 3.79Å; I106-V226 HydrophobicContact CD1-CG2 4.35Å; I106-V226 HydrophobicContact CG2-CG2 3.56Å; F146-V226 CarbonylContact O-C 3.59Å; F146-V226 VanDerWaalsContact O-CA 3.29Å; F146-V226 WeakPolarHBondContact O-CA 3.49Å; I147-V226 HydrophobicContact CG1-CG1 4.43Å; P224-V226 HydrophobicContact CG-CG2 4.43Å
227Y98.7Very high98.6Very high82 Ų8242.8 Ų42.832%0.32221%0.209SC..EExtended strand (participates in β ladder)trans-114.8122.6177.2-67.1-86.8000109.9Y145 F146 F164 E225Y145-Y227 WeakPolarHBondContact CA-O 3.28Å; F146-Y227 PolarHBondContact N-O 2.89Å; F146-Y227 PolarHBondContact O-N 3.37Å; F164-Y227 HydrophobicContact CE2-CD1 4.1Å; F164-Y227 HydrophobicContact CE2-CD2 4.17Å; F164-Y227 AromaticContact CE2-CG 3.77Å; F164-Y227 HydrophobicContact CE2-CG 3.77Å; F164-Y227 HydrophobicContact CZ-CD1 4.41Å; F164-Y227 AromaticContact CZ-CD2 3.68Å; F164-Y227 HydrophobicContact CZ-CD2 3.68Å; F164-Y227 HydrophobicContact CZ-CE2 4.46Å; F164-Y227 AromaticContact CZ-CG 3.63Å; F164-Y227 HydrophobicContact CZ-CG 3.63Å; E225-Y227 HydrophobicContact CB-CE2 4.01Å
228E98.4Very high98.6Very high83 Ų8338.4 Ų38.439%0.38819%0.188SC..EExtended strand (participates in β ladder)trans-88.1136.8171.291-67.4163.500110.6V99 K103 M144 Y145V99-E228 HydrophobicContact CG1-CB 4.15Å; V99-E228 HydrophobicContact CG1-CG 3.89Å; K103-E228 IonicContact NZ-OE2 2.87Å; K103-E228 PolarHBondContact NZ-OE2 2.76Å; M144-E228 CarbonylContact O-C 3.55Å; Y145-E228 HydrophobicContact CD1-CB 3.81Å; Y145-E228 HydrophobicContact CE1-CB 3.8Å
229I98.6Very high98.6Very high26 Ų2637.9 Ų37.913%0.13319%0.186CC..EExtended strand (participates in β ladder)trans-130.2125.7173-61.9-175.8000107.5H143 M144 F146 L156 F164 R231H143-I229 CarbonylContact C-O 3.59Å; H143-I229 WeakPolarHBondContact CA-O 3.28Å; M144-I229 HydrophobicContact CE-CG2 4.1Å; M144-I229 PolarHBondContact N-O 3.27Å; M144-I229 PolarHBondContact O-N 2.66Å; F146-I229 HydrophobicContact CD2-CD1 3.88Å; F146-I229 HydrophobicContact CD2-CG1 4.27Å; F146-I229 HydrophobicContact CE2-CB 4.47Å; F146-I229 HydrophobicContact CE2-CD1 3.75Å; F146-I229 HydrophobicContact CE2-CG1 4.34Å; L156-I229 HydrophobicContact CD2-CD1 4.2Å; L156-I229 HydrophobicContact CD2-CG2 4.17Å; F164-I229 HydrophobicContact CB-CD1 3.41Å; F164-I229 VanDerWaalsContact CB-CD1 3.41Å; F164-I229 HydrophobicContact CD1-CD1 3.77Å; F164-I229 HydrophobicContact CD2-CD1 3.75Å; F164-I229 HydrophobicContact CE2-CD1 4.47Å; F164-I229 HydrophobicContact CG-CD1 3.34Å; I229-R231 PolarHBondContact O-N 3.09Å
230V98.6Very high98.6Very high89 Ų8937.1 Ų37.154%0.53918%0.182SC..EExtended strand (participates in β ladder)trans-66.4130172.3-174.40000108.4R158R158-V230 PolarHBondContact NH2-O 3.49Å
231R98.6Very high98.6Very high68 Ų6837.1 Ų37.126%0.25718%0.182SC..  trans-62.1144.5175-72178.163-177.3-3.4109.9S140 P141 T142 M144 I229 D235S140-R231 WeakPolarHBondContact O-CD 3.2Å; S140-R231 PolarHBondContact O-NH1 2.81Å; P141-R231 PolarHBondContact O-NH1 2.87Å; T142-R231 PolarHBondContact O-N 3.44Å; M144-R231 HydrophobicContact CE-CG 4.29Å; M144-R231 HydrophobicContact CG-CG 3.92Å; I229-R231 PolarHBondContact O-N 3.09Å; R231-D235 WeakPolarHBondContact CA-OD2 3.14Å
232A98Very high98.6Very high30 Ų3037 Ų3725%0.24818%0.181CC..  trans-132.7158.2178.900000109.6R158 E234 D235R158-A232 VanDerWaalsContact CZ-CB 3.46Å; A232-E234 WeakPolarHBondContact CB-OE2 3.47Å; A232-E234 PolarHBondContact O-N 2.62Å; A232-D235 PolarHBondContact N-OD2 3.36Å; A232-D235 WeakPolarHBondContact O-CB 3.29Å; A232-D235 PolarHBondContact O-N 3.12Å; A232-D235 VanDerWaalsContact O-OD2 3.13Å
233E96.7Very high98.6Very high142 Ų14238.2 Ų38.266%0.66419%0.188SC*.THydrogen-bonded Turntrans-62-32.4176-69.4-63.314000110.1D235 N297E233-D235 PolarHBondContact O-N 3.08Å; E233-D235 VanDerWaalsContact O-N 3.09Å; E233-N297 WeakPolarHBondContact O-CB 3.34Å; E233-N297 PolarHBondContact O-ND2 3.35Å
234E98.2Very high98.6Very high103 Ų10335.9 Ų35.948%0.48118%0.177SC..THydrogen-bonded Turntrans-73.2-0.3-178.4-52.377.5-167.100114.1R158 N159 A232 E236R158-E234 WeakPolarHBondContact CA-O 3.4Å; R158-E234 HydrophobicContact CG-CB 3.68Å; R158-E234 WeakPolarHBondContact CG-O 3.42Å; N159-E234 HydrophobicContact CB-CB 4.3Å; N159-E234 PolarHBondContact N-O 2.8Å; A232-E234 WeakPolarHBondContact CB-OE2 3.47Å; A232-E234 PolarHBondContact O-N 2.62Å; E234-E236 PolarHBondContact O-N 2.85Å
235D98.8Very high98.6Very high3 Ų335.4 Ų35.42%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-61.6124.8176.5-76.2-34.2000110.8M144 R158 R231 A232 E233 F295M144-D235 VanDerWaalsContact CE-OD2 3.27Å; M144-D235 WeakPolarHBondContact CE-OD2 3.49Å; R158-D235 IonicContact CZ-OD1 2.74Å; R158-D235 IonicContact NE-OD1 2.63Å; R158-D235 PolarHBondContact NE-OD1 2.82Å; R158-D235 VanDerWaalsContact NH2-CG 3.27Å; R158-D235 IonicContact NH2-OD1 3.79Å; R158-D235 PolarHBondContact NH2-OD1 2.92Å; R158-D235 IonicContact NH2-OD2 3.79Å; R158-D235 PolarHBondContact NH2-OD2 3.04Å; R158-D235 VanDerWaalsContact NH2-OD2 3.09Å; R231-D235 WeakPolarHBondContact CA-OD2 3.14Å; A232-D235 PolarHBondContact N-OD2 3.36Å; A232-D235 WeakPolarHBondContact O-CB 3.29Å; A232-D235 PolarHBondContact O-N 3.12Å; A232-D235 VanDerWaalsContact O-OD2 3.13Å; E233-D235 PolarHBondContact O-N 3.08Å; E233-D235 VanDerWaalsContact O-N 3.09Å; D235-F295 HydrophobicContact CB-CB 4.23Å; D235-F295 HydrophobicContact CB-CD1 4.26Å; D235-F295 HydrophobicContact CB-CD2 3.99Å; D235-F295 HydrophobicContact CB-CE2 4.47Å; D235-F295 HydrophobicContact CB-CG 3.89Å; D235-F295 WeakPolarHBondContact O-CB 3.44Å
236E98.8Very high98.6Very high20 Ų2033.8 Ų33.89%0.09317%0.165CC..EExtended strand (participates in β ladder)trans-105.2-63.5-178.4-74.9179.2-122.300111.1C157 N159 G160 E234 F295 A298 P299C157-E236 PolarHBondContact O-N 2.82Å; C157-E236 VanDerWaalsContact O-N 3.12Å; N159-E236 VanDerWaalsContact CA-OE1 3.26Å; N159-E236 WeakPolarHBondContact CA-OE1 3.26Å; N159-E236 PolarHBondContact N-OE1 3.42Å; N159-E236 VanDerWaalsContact N-OE1 3.08Å; G160-E236 WeakPolarHBondContact CA-OE1 3.15Å; G160-E236 PolarHBondContact N-OE1 3.2Å; E234-E236 PolarHBondContact O-N 2.85Å; E236-F295 PolarHBondContact O-N 2.97Å; E236-A298 WeakPolarHBondContact O-CA 3.32Å; E236-A298 VanDerWaalsContact O-CB 3.23Å; E236-A298 WeakPolarHBondContact O-CB 3.31Å; E236-P299 WeakPolarHBondContact OE2-CD 3.34Å; E236-P299 VanDerWaalsContact OE2-CG 3.31Å; E236-P299 WeakPolarHBondContact OE2-CG 3.34Å
237F98.9Very high98.6Very high0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-157.5159-179.856.6-96.5000112.6C157 V239 C255 V258 K259 L262 L292 V293 P299C157-F237 HydrophobicContact CB-CD1 4.14Å; C157-F237 HydrophobicContact CB-CD2 3.73Å; C157-F237 HydrophobicContact CB-CE1 3.81Å; C157-F237 HydrophobicContact CB-CE2 3.38Å; C157-F237 HydrophobicContact CB-CG 4.1Å; C157-F237 HydrophobicContact CB-CZ 3.42Å; C157-F237 VanDerWaalsContact CB-CZ 3.42Å; C157-F237 PolarHBondContact N-O 3.28Å; C157-F237 PolarHBondContact O-N 3.07Å; C157-F237 VanDerWaalsContact SG-CZ 3.56Å; F237-V239 HydrophobicContact CD2-CG2 3.95Å; F237-V239 HydrophobicContact CE2-CG2 4.08Å; F237-C255 HydrophobicContact CE2-CB 4.49Å; F237-C255 HydrophobicContact CZ-CB 4.47Å; F237-V258 HydrophobicContact CD2-CG1 4.06Å; F237-V258 HydrophobicContact CE1-CG1 4.33Å; F237-V258 HydrophobicContact CE2-CB 4.19Å; F237-V258 HydrophobicContact CE2-CG1 3.78Å; F237-V258 HydrophobicContact CG-CG1 4.45Å; F237-V258 HydrophobicContact CZ-CB 4.27Å; F237-V258 HydrophobicContact CZ-CG1 3.92Å; F237-K259 HydrophobicContact CE1-CB 4.31Å; F237-K259 HydrophobicContact CZ-CB 4.39Å; F237-L262 HydrophobicContact CD1-CD1 3.84Å; F237-L262 HydrophobicContact CE1-CD1 4.17Å; F237-L262 HydrophobicContact CG-CD1 4.43Å; F237-L292 HydrophobicContact CB-CD1 3.94Å; F237-L292 HydrophobicContact CD2-CD1 4Å; F237-L292 HydrophobicContact CG-CD1 4.14Å; F237-V293 CarbonylContact C-O 2.93Å; F237-V293 WeakPolarHBondContact CA-O 3.25Å; F237-V293 VanDerWaalsContact CB-O 3.3Å; F237-V293 WeakPolarHBondContact CB-O 3.23Å; F237-P299 HydrophobicContact CE1-CG 4.35Å
238V98.9Very high98.6Very high1 Ų135.9 Ų35.91%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-115.9137.3168.31700000109.1V137 M144 F146 V155 L156 L240 V293 F295V137-V238 HydrophobicContact CG1-CG1 4.25Å; M144-V238 HydrophobicContact SD-CG2 4.31Å; F146-V238 HydrophobicContact CE1-CG1 3.86Å; F146-V238 HydrophobicContact CE1-CG2 4.02Å; F146-V238 HydrophobicContact CZ-CG1 4.41Å; F146-V238 HydrophobicContact CZ-CG2 3.73Å; V155-V238 CarbonylContact O-C 3.59Å; V155-V238 VanDerWaalsContact O-CA 3.28Å; V155-V238 WeakPolarHBondContact O-CA 3.5Å; L156-V238 HydrophobicContact CB-CG2 4.33Å; L156-V238 HydrophobicContact CD1-CG2 3.61Å; V238-L240 HydrophobicContact CG1-CD1 3.76Å; V238-L240 HydrophobicContact CG1-CG 4.2Å; V238-V293 HydrophobicContact CB-CB 4.44Å; V238-V293 PolarHBondContact N-O 3.2Å; V238-V293 PolarHBondContact O-N 3.42Å; V238-F295 HydrophobicContact CG2-CE2 3.95Å; V238-F295 HydrophobicContact CG2-CZ 4.43Å
239V98.9Very high98.6Very high1 Ų132.1 Ų32.11%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-111.7128.9170.2-175.70000108.3A154 V155 F237 W246 L254 V258 V290 V291 L292A154-V239 CarbonylContact C-O 3.56Å; A154-V239 WeakPolarHBondContact CA-O 3.14Å; V155-V239 PolarHBondContact N-O 3.24Å; V155-V239 PolarHBondContact O-N 3.35Å; F237-V239 HydrophobicContact CD2-CG2 3.95Å; F237-V239 HydrophobicContact CE2-CG2 4.08Å; V239-W246 HydrophobicContact CG1-CH2 4.4Å; V239-W246 HydrophobicContact CG1-CZ2 4.32Å; V239-L254 HydrophobicContact CG1-CD2 3.82Å; V239-V258 HydrophobicContact CG2-CG2 4.31Å; V239-V290 HydrophobicContact CG1-CG2 3.75Å; V239-V291 WeakPolarHBondContact CA-O 3.44Å; V239-L292 HydrophobicContact CG2-CD1 4.05Å
240L98.9Very high98.6Very high0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-116.2130.2168.1-53.993.3000108.1F56 V58 V135 G136 V137 A154 V238 V290 V291 V293F56-L240 HydrophobicContact CB-CD1 4.21Å; V58-L240 HydrophobicContact CG2-CB 4.04Å; V135-L240 HydrophobicContact CG1-CB 4.4Å; G136-L240 VanDerWaalsContact CA-CD2 3.45Å; V137-L240 HydrophobicContact CG1-CD1 4.11Å; V137-L240 HydrophobicContact CG1-CD2 4.25Å; A154-L240 HydrophobicContact CB-CB 4.5Å; A154-L240 HydrophobicContact CB-CD2 4.22Å; A154-L240 HydrophobicContact CB-CG 3.96Å; V238-L240 HydrophobicContact CG1-CD1 3.76Å; V238-L240 HydrophobicContact CG1-CG 4.2Å; L240-V290 CarbonylContact O-C 3.59Å; L240-V290 VanDerWaalsContact O-CA 3.28Å; L240-V290 WeakPolarHBondContact O-CA 3.45Å; L240-V291 HydrophobicContact CB-CB 4.34Å; L240-V291 HydrophobicContact CD1-CB 4.11Å; L240-V291 HydrophobicContact CD1-CG1 4.25Å; L240-V291 PolarHBondContact N-O 2.97Å; L240-V291 PolarHBondContact O-N 3.17Å; L240-V293 HydrophobicContact CD1-CG2 4.25Å
241A98.9Very high98.6Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-152.6158.5176.300000113S152 R153 I245 W246 S289 V290S152-A241 WeakPolarHBondContact CB-O 3.14Å; R153-A241 PolarHBondContact N-O 2.97Å; R153-A241 PolarHBondContact O-N 3.38Å; A241-I245 HydrophobicContact CB-CB 3.83Å; A241-I245 HydrophobicContact CB-CG1 3.83Å; A241-I245 HydrophobicContact CB-CG2 4.13Å; A241-W246 HydrophobicContact CB-CZ2 4.25Å; A241-W246 PolarHBondContact O-NE1 2.98Å; A241-S289 WeakPolarHBondContact CA-O 3.19Å; A241-S289 VanDerWaalsContact CB-O 3.29Å; A241-S289 WeakPolarHBondContact CB-O 3.47Å; A241-V290 HydrophobicContact CB-CB 4.19Å; A241-V290 HydrophobicContact CB-CG2 4.22Å
242C98.9Very high98.6Very high0 Ų031.4 Ų31.40%016%0.164CC..  trans-75.3172.117063.50000112.1D38 V58 D60 G244 I245 S289D38-C242 PolarHBondContact OD2-SG 3.46Å; V58-C242 HydrophobicContact CG1-CB 4.21Å; D60-C242 HydrophobicContact CB-CB 3.91Å; D60-C242 WeakPolarHBondContact OD2-CB 3.47Å; C242-G244 PolarHBondContact O-N 2.83Å; C242-I245 PolarHBondContact O-N 3.38Å; C242-I245 VanDerWaalsContact O-N 3.17Å; C242-S289 PolarHBondContact N-O 2.85Å; C242-S289 PolarHBondContact SG-N 3.05Å
243D98.6Very high98.7Very high26 Ų2633.6 Ų33.614%0.13917%0.169CC..Hα-helixtrans-65.2-24-177.274.5-10000112.6I245 W246 D247D243-I245 CarbonylContact O-C 3.56Å; D243-I245 PolarHBondContact O-N 2.86Å; D243-W246 PolarHBondContact O-N 3.46Å; D243-D247 VanDerWaalsContact O-CB 3.26Å; D243-D247 WeakPolarHBondContact O-CB 3.44Å; D243-D247 PolarHBondContact O-N 2.84Å
244G98.6Very high98.8Very high0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-54-21.717200000114.7C242 S284 M288C242-G244 PolarHBondContact O-N 2.83Å; G244-S284 WeakPolarHBondContact O-CB 3.23Å; G244-S284 PolarHBondContact O-OG 3.48Å; G244-M288 WeakPolarHBondContact O-CG 3.45Å
245I98.9Very high98.8Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-92.5-50.9169.2-60.4-60000111A241 C242 D243 D247 V248 M249 L254 V275 V276 C279 M288A241-I245 HydrophobicContact CB-CB 3.83Å; A241-I245 HydrophobicContact CB-CG1 3.83Å; A241-I245 HydrophobicContact CB-CG2 4.13Å; C242-I245 PolarHBondContact O-N 3.38Å; C242-I245 VanDerWaalsContact O-N 3.17Å; D243-I245 CarbonylContact O-C 3.56Å; D243-I245 PolarHBondContact O-N 2.86Å; I245-D247 VanDerWaalsContact C-N 3.28Å; I245-D247 PolarHBondContact O-N 2.94Å; I245-V248 WeakPolarHBondContact O-CG2 3.16Å; I245-V248 PolarHBondContact O-N 2.91Å; I245-M249 PolarHBondContact O-N 2.97Å; I245-L254 HydrophobicContact CG2-CD2 3.73Å; I245-V275 HydrophobicContact CD1-CG1 4.12Å; I245-V275 HydrophobicContact CG2-CG1 4.19Å; I245-V276 HydrophobicContact CD1-CG2 4.33Å; I245-C279 HydrophobicContact CD1-CB 3.76Å; I245-M288 HydrophobicContact CD1-CB 3.91Å; I245-M288 HydrophobicContact CD1-CG 3.75Å; I245-M288 HydrophobicContact CD1-SD 3.99Å; I245-M288 HydrophobicContact CG1-CB 4.46Å; I245-M288 HydrophobicContact CG1-CG 4.35Å
246W98.8Very high98.8Very high14 Ų1427.3 Ų27.35%0.05314%0.14CC..Hα-helixtrans-71.2-18.3-171.6-58.7116.1000114.9R153 V155 V239 A241 D243 V248 L254R153-W246 HydrophobicContact CB-CD2 4.2Å; R153-W246 HydrophobicContact CB-CG 4.14Å; R153-W246 HydrophobicContact CB-CZ2 4.3Å; R153-W246 WeakPolarHBondContact O-CZ2 3.49Å; R153-W246 PolarHBondContact O-NE1 3.32Å; R153-W246 VanDerWaalsContact O-NE1 3.17Å; V155-W246 HydrophobicContact CB-CH2 4.14Å; V155-W246 HydrophobicContact CG2-CH2 3.49Å; V155-W246 VanDerWaalsContact CG2-CH2 3.49Å; V155-W246 HydrophobicContact CG2-CZ2 4.05Å; V155-W246 HydrophobicContact CG2-CZ3 4.13Å; V239-W246 HydrophobicContact CG1-CH2 4.4Å; V239-W246 HydrophobicContact CG1-CZ2 4.32Å; A241-W246 HydrophobicContact CB-CZ2 4.25Å; A241-W246 PolarHBondContact O-NE1 2.98Å; D243-W246 PolarHBondContact O-N 3.46Å; W246-V248 PolarHBondContact O-N 2.85Å; W246-L254 HydrophobicContact CE3-CD2 4.14Å; W246-L254 HydrophobicContact CH2-CD2 3.45Å; W246-L254 VanDerWaalsContact CH2-CD2 3.45Å; W246-L254 HydrophobicContact CZ2-CD2 4.07Å; W246-L254 HydrophobicContact CZ3-CB 4.04Å; W246-L254 HydrophobicContact CZ3-CD2 3.46Å; W246-L254 VanDerWaalsContact CZ3-CD2 3.46Å; W246-L254 HydrophobicContact CZ3-CG 4.36Å
247D98.4Very high98.8Very high111 Ų11126.3 Ų26.359%0.59414%0.136SC*.THydrogen-bonded Turntrans-67.3-21.8174.4-891.5000112.6D243 I245D243-D247 VanDerWaalsContact O-CB 3.26Å; D243-D247 WeakPolarHBondContact O-CB 3.44Å; D243-D247 PolarHBondContact O-N 2.84Å; I245-D247 VanDerWaalsContact C-N 3.28Å; I245-D247 PolarHBondContact O-N 2.94Å
248V98.8Very high98.8Very high37 Ų3726.5 Ų26.522%0.22414%0.137CC..THydrogen-bonded Turntrans-125-6-174.2-62.10000114.4I245 W246 C279 K282I245-V248 WeakPolarHBondContact O-CG2 3.16Å; I245-V248 PolarHBondContact O-N 2.91Å; W246-V248 PolarHBondContact O-N 2.85Å; V248-C279 HydrophobicContact CG2-CB 3.59Å; V248-K282 HydrophobicContact CB-CB 3.97Å; V248-K282 HydrophobicContact CG2-CB 4.21Å
249M98.8Very high98.8Very high3 Ų329.7 Ų29.72%0.01515%0.15CC..SBendtrans-138.9129.9174.2-66-169.469.700111I245 E253 L254 F257 T278 C279 K282I245-M249 PolarHBondContact O-N 2.97Å; M249-E253 WeakPolarHBondContact CA-OE2 3.34Å; M249-E253 HydrophobicContact CE-CB 4.23Å; M249-L254 HydrophobicContact CB-CB 4.34Å; M249-L254 HydrophobicContact CE-CB 4.35Å; M249-L254 HydrophobicContact CE-CD1 4.06Å; M249-L254 HydrophobicContact SD-CD1 4.06Å; M249-F257 HydrophobicContact CE-CB 3.88Å; M249-F257 HydrophobicContact CE-CD1 4.35Å; M249-F257 HydrophobicContact CE-CG 4.2Å; M249-T278 HydrophobicContact SD-CG2 4.15Å; M249-C279 VanDerWaalsContact SD-SG 3.61Å; M249-K282 HydrophobicContact CG-CD 3.7Å; M249-K282 HydrophobicContact SD-CD 4.12Å
250S98.8Very high98.8Very high42 Ų4230.2 Ų30.229%0.29415%0.154SC..  trans-70168.6172.795.70000112E252 E253 L254S250-E252 VanDerWaalsContact C-N 3.31Å; S250-E252 PolarHBondContact O-N 3.35Å; S250-E252 PolarHBondContact OG-N 2.97Å; S250-E252 PolarHBondContact OG-OE2 3.27Å; S250-E253 PolarHBondContact N-OE2 2.96Å; S250-E253 PolarHBondContact O-N 3.04Å; S250-E253 PolarHBondContact OG-N 3.36Å; S250-L254 WeakPolarHBondContact O-CB 3.5Å; S250-L254 PolarHBondContact O-N 2.94Å
251N98.8Very high98.8Very high25 Ų2530.8 Ų30.813%0.13416%0.156CC..Hα-helixtrans-54.9-47.5174.9-66.6-2.8000111.7R153 V155 V162 S165 C255R153-N251 WeakPolarHBondContact CD-OD1 3.03Å; R153-N251 PolarHBondContact NH1-OD1 2.97Å; V155-N251 HydrophobicContact CG2-CB 4.27Å; V162-N251 HydrophobicContact CG1-CB 4.41Å; V162-N251 HydrophobicContact CG2-CB 4.18Å; S165-N251 WeakPolarHBondContact CB-ND2 3.3Å; S165-N251 PolarHBondContact OG-ND2 2.97Å; S165-N251 VanDerWaalsContact OG-ND2 3.11Å; N251-C255 WeakPolarHBondContact O-CB 3.47Å; N251-C255 PolarHBondContact O-N 2.82Å; N251-C255 PolarHBondContact O-SG 2.73Å
252E98.7Very high98.7Very high101 Ų10131 Ų3147%0.47216%0.158SC..Hα-helixtrans-68.8-47.5-178.9-6070.2-152.500111V162 S250 L254 C255 E256V162-E252 HydrophobicContact CG2-CG 4.25Å; S250-E252 VanDerWaalsContact C-N 3.31Å; S250-E252 PolarHBondContact O-N 3.35Å; S250-E252 PolarHBondContact OG-N 2.97Å; S250-E252 PolarHBondContact OG-OE2 3.27Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 3.21Å; E252-C255 PolarHBondContact O-N 3.02Å; E252-E256 WeakPolarHBondContact O-CB 3.18Å; E252-E256 WeakPolarHBondContact O-CG 3.35Å; E252-E256 PolarHBondContact O-N 2.91Å
253E98.8Very high98.7Very high76 Ų7633.5 Ų33.536%0.35517%0.169SC..Hα-helixtrans-57.7-44.4178.5-70.1-179.8134.900111.5M249 S250 F257M249-E253 WeakPolarHBondContact CA-OE2 3.34Å; M249-E253 HydrophobicContact CE-CB 4.23Å; S250-E253 PolarHBondContact N-OE2 2.96Å; S250-E253 PolarHBondContact O-N 3.04Å; S250-E253 PolarHBondContact OG-N 3.36Å; E253-F257 VanDerWaalsContact O-CB 3.25Å; E253-F257 WeakPolarHBondContact O-CB 3.34Å; E253-F257 PolarHBondContact O-N 3.17Å
254L98.9Very high98.7Very high1 Ų133.6 Ų33.61%0.00517%0.171CC..Hα-helixtrans-70.7-40.3180-172.959.8000112.1V239 I245 W246 M249 S250 E252 F257 V258 V275V239-L254 HydrophobicContact CG1-CD2 3.82Å; I245-L254 HydrophobicContact CG2-CD2 3.73Å; W246-L254 HydrophobicContact CE3-CD2 4.14Å; W246-L254 HydrophobicContact CH2-CD2 3.45Å; W246-L254 VanDerWaalsContact CH2-CD2 3.45Å; W246-L254 HydrophobicContact CZ2-CD2 4.07Å; W246-L254 HydrophobicContact CZ3-CB 4.04Å; W246-L254 HydrophobicContact CZ3-CD2 3.46Å; W246-L254 VanDerWaalsContact CZ3-CD2 3.46Å; W246-L254 HydrophobicContact CZ3-CG 4.36Å; M249-L254 HydrophobicContact CB-CB 4.34Å; M249-L254 HydrophobicContact CE-CB 4.35Å; M249-L254 HydrophobicContact CE-CD1 4.06Å; M249-L254 HydrophobicContact SD-CD1 4.06Å; S250-L254 WeakPolarHBondContact O-CB 3.5Å; S250-L254 PolarHBondContact O-N 2.94Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-L254 PolarHBondContact O-N 3.21Å; L254-F257 PolarHBondContact O-N 3.26Å; L254-V258 HydrophobicContact CD1-CG2 4.13Å; L254-V258 HydrophobicContact CG-CG2 4.33Å; L254-V258 WeakPolarHBondContact O-CB 3.34Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 3.23Å; L254-V275 HydrophobicContact CD1-CB 4.39Å; L254-V275 HydrophobicContact CD1-CG1 3.65Å; L254-V275 HydrophobicContact CD1-CG2 3.86Å
255C98.7Very high98.7Very high7 Ų734.5 Ų34.55%0.04718%0.177CC..Hα-helixtrans-63.9-44176.9-73.10000112.1V155 V162 F237 N251 E252 F257 K259V155-C255 VanDerWaalsContact CG1-SG 3.59Å; V162-C255 HydrophobicContact CG2-CB 4.11Å; F237-C255 HydrophobicContact CE2-CB 4.49Å; F237-C255 HydrophobicContact CZ-CB 4.47Å; N251-C255 WeakPolarHBondContact O-CB 3.47Å; N251-C255 PolarHBondContact O-N 2.82Å; N251-C255 PolarHBondContact O-SG 2.73Å; E252-C255 PolarHBondContact O-N 3.02Å; C255-F257 VanDerWaalsContact C-N 3.35Å; C255-K259 VanDerWaalsContact O-CB 3.29Å; C255-K259 WeakPolarHBondContact O-CB 3.32Å; C255-K259 PolarHBondContact O-N 3.21Å
256E98.7Very high98.7Very high108 Ų10839.1 Ų39.151%0.50520%0.202SC..Hα-helixtrans-63.7-42175.5-71.5-17616800111.5E252 K259 S260 P352E252-E256 WeakPolarHBondContact O-CB 3.18Å; E252-E256 WeakPolarHBondContact O-CG 3.35Å; E252-E256 PolarHBondContact O-N 2.91Å; E256-K259 PolarHBondContact O-N 2.75Å; E256-S260 WeakPolarHBondContact O-CB 3.36Å; E256-S260 PolarHBondContact O-N 2.94Å; E256-P352 HydrophobicContact CB-CB 4Å; E256-P352 HydrophobicContact CB-CG 4.13Å
257F98.9Very high98.7Very high0 Ų042.1 Ų42.10%022%0.219CC..Hα-helixtrans-62-53.1177.3-175.9-113.4000111.3M249 E253 L254 C255 K259 S260 R261 W274 V275 T278 P351 P352M249-F257 HydrophobicContact CE-CB 3.88Å; M249-F257 HydrophobicContact CE-CD1 4.35Å; M249-F257 HydrophobicContact CE-CG 4.2Å; E253-F257 VanDerWaalsContact O-CB 3.25Å; E253-F257 WeakPolarHBondContact O-CB 3.34Å; E253-F257 PolarHBondContact O-N 3.17Å; L254-F257 PolarHBondContact O-N 3.26Å; C255-F257 VanDerWaalsContact C-N 3.35Å; F257-K259 VanDerWaalsContact C-N 3.34Å; F257-K259 PolarHBondContact O-N 3.42Å; F257-S260 WeakPolarHBondContact O-CB 3.34Å; F257-S260 PolarHBondContact O-N 2.9Å; F257-S260 VanDerWaalsContact O-N 3.09Å; F257-S260 PolarHBondContact O-OG 3Å; F257-R261 HydrophobicContact CD1-CG 4.32Å; F257-R261 HydrophobicContact CD2-CG 4.41Å; F257-R261 HydrophobicContact CE1-CG 3.97Å; F257-R261 HydrophobicContact CE2-CG 4.07Å; F257-R261 HydrophobicContact CZ-CG 3.85Å; F257-R261 WeakPolarHBondContact O-CG 3.4Å; F257-R261 PolarHBondContact O-N 2.79Å; F257-W274 HydrophobicContact CE1-CB 4.35Å; F257-W274 HydrophobicContact CZ-CB 4.3Å; F257-V275 HydrophobicContact CD1-CG2 3.97Å; F257-V275 HydrophobicContact CE1-CG2 4Å; F257-T278 HydrophobicContact CZ-CG2 4.34Å; F257-T278 VanDerWaalsContact CZ-OG1 3.28Å; F257-T278 WeakPolarHBondContact CZ-OG1 3.27Å; F257-P351 HydrophobicContact CD2-CB 3.8Å; F257-P351 HydrophobicContact CE2-CB 3.67Å; F257-P351 HydrophobicContact CE2-CG 4.4Å; F257-P352 VanDerWaalsContact CA-O 3.25Å; F257-P352 WeakPolarHBondContact CA-O 3.48Å; F257-P352 VanDerWaalsContact CB-O 3.28Å; F257-P352 WeakPolarHBondContact CB-O 3.22Å; F257-P352 WeakPolarHBondContact CD2-O 3.49Å; F257-P352 PolarHBondContact N-O 3.24Å
258V98.9Very high98.7Very high3 Ų337 Ų372%0.01819%0.192CC..Hα-helixtrans-56.7-46.6178.1167.10000111F237 V239 L254 S260 R261 L262 V271 V275 L292F237-V258 HydrophobicContact CD2-CG1 4.06Å; F237-V258 HydrophobicContact CE1-CG1 4.33Å; F237-V258 HydrophobicContact CE2-CB 4.19Å; F237-V258 HydrophobicContact CE2-CG1 3.78Å; F237-V258 HydrophobicContact CG-CG1 4.45Å; F237-V258 HydrophobicContact CZ-CB 4.27Å; F237-V258 HydrophobicContact CZ-CG1 3.92Å; V239-V258 HydrophobicContact CG2-CG2 4.31Å; L254-V258 HydrophobicContact CD1-CG2 4.13Å; L254-V258 HydrophobicContact CG-CG2 4.33Å; L254-V258 WeakPolarHBondContact O-CB 3.34Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 3.23Å; V258-S260 VanDerWaalsContact C-N 3.34Å; V258-S260 PolarHBondContact O-N 3.31Å; V258-R261 PolarHBondContact O-N 3.26Å; V258-R261 VanDerWaalsContact O-N 3.09Å; V258-L262 HydrophobicContact CG1-CD1 3.86Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CG 3.13Å; V258-L262 PolarHBondContact O-N 3.31Å; V258-V271 HydrophobicContact CG1-CG1 4.39Å; V258-V275 HydrophobicContact CG2-CG2 3.85Å; V258-L292 HydrophobicContact CG1-CD1 3.73Å; V258-L292 HydrophobicContact CG1-CD2 4.01Å
259K98.6Very high98.7Very high68 Ų6837.2 Ų37.230%0.29619%0.19SC..Hα-helixtrans-55.7-48.7174.9173.8169.6179.4173.10111.6F237 C255 E256 F257 R261 L262 E263 P299F237-K259 HydrophobicContact CE1-CB 4.31Å; F237-K259 HydrophobicContact CZ-CB 4.39Å; C255-K259 VanDerWaalsContact O-CB 3.29Å; C255-K259 WeakPolarHBondContact O-CB 3.32Å; C255-K259 PolarHBondContact O-N 3.21Å; E256-K259 PolarHBondContact O-N 2.75Å; F257-K259 VanDerWaalsContact C-N 3.34Å; F257-K259 PolarHBondContact O-N 3.42Å; K259-R261 PolarHBondContact O-N 3.24Å; K259-L262 PolarHBondContact O-N 2.56Å; K259-E263 WeakPolarHBondContact O-CG 3.33Å; K259-E263 PolarHBondContact O-N 2.96Å; K259-E263 VanDerWaalsContact O-N 3.07Å; K259-P299 HydrophobicContact CB-CG 4.43Å; K259-P299 HydrophobicContact CD-CG 4.43Å; K259-P299 HydrophobicContact CG-CB 4.44Å; K259-P299 HydrophobicContact CG-CG 3.87Å
260S98.6Very high98.7Very high13 Ų1339.3 Ų39.39%0.09120%0.201CC..Hα-helixtrans-61.7-30.5178.683.60000113.1E256 F257 V258 V264E256-S260 WeakPolarHBondContact O-CB 3.36Å; E256-S260 PolarHBondContact O-N 2.94Å; F257-S260 WeakPolarHBondContact O-CB 3.34Å; F257-S260 PolarHBondContact O-N 2.9Å; F257-S260 VanDerWaalsContact O-N 3.09Å; F257-S260 PolarHBondContact O-OG 3Å; V258-S260 VanDerWaalsContact C-N 3.34Å; V258-S260 PolarHBondContact O-N 3.31Å; S260-V264 WeakPolarHBondContact O-CG2 3.35Å
261R98.8Very high98.7Very high11 Ų1137.3 Ų37.34%0.04219%0.187CC..Hα-helixtrans-80.2-36.7178.7-65.8-51.385.6-176.3-5.6111.7F257 V258 K259 E263 V264 S265 V271 W274 D309F257-R261 HydrophobicContact CD1-CG 4.32Å; F257-R261 HydrophobicContact CD2-CG 4.41Å; F257-R261 HydrophobicContact CE1-CG 3.97Å; F257-R261 HydrophobicContact CE2-CG 4.07Å; F257-R261 HydrophobicContact CZ-CG 3.85Å; F257-R261 WeakPolarHBondContact O-CG 3.4Å; F257-R261 PolarHBondContact O-N 2.79Å; V258-R261 PolarHBondContact O-N 3.26Å; V258-R261 VanDerWaalsContact O-N 3.09Å; K259-R261 PolarHBondContact O-N 3.24Å; R261-E263 VanDerWaalsContact C-N 3.28Å; R261-E263 PolarHBondContact O-N 2.78Å; R261-V264 PolarHBondContact O-N 3.36Å; R261-S265 PolarHBondContact O-N 3.23Å; R261-V271 HydrophobicContact CB-CB 4.49Å; R261-V271 HydrophobicContact CB-CG1 3.9Å; R261-V271 HydrophobicContact CB-CG2 4.04Å; R261-W274 HydrophobicContact CB-CE3 3.75Å; R261-W274 HydrophobicContact CB-CZ3 3.98Å; R261-W274 VanDerWaalsContact CD-CE3 3.48Å; R261-W274 HydrophobicContact CG-CE3 3.73Å; R261-W274 HydrophobicContact CG-CZ3 4.31Å; R261-D309 IonicContact CZ-OD1 2.8Å; R261-D309 VanDerWaalsContact CZ-OD1 3.3Å; R261-D309 IonicContact NH1-OD1 3.95Å; R261-D309 PolarHBondContact NH1-OD1 3.2Å; R261-D309 IonicContact NH1-OD2 2.79Å; R261-D309 IonicContact NH2-OD1 3.21Å; R261-D309 PolarHBondContact NH2-OD1 2.82Å
262L98.8Very high98.7Very high5 Ų536.2 Ų36.23%0.02618%0.181CC..Hα-helixtrans-64.7-31173.1-73172.4000112.8F237 V258 K259 V264 S265 L268 V271 L292 P299F237-L262 HydrophobicContact CD1-CD1 3.84Å; F237-L262 HydrophobicContact CE1-CD1 4.17Å; F237-L262 HydrophobicContact CG-CD1 4.43Å; V258-L262 HydrophobicContact CG1-CD1 3.86Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CG 3.13Å; V258-L262 PolarHBondContact O-N 3.31Å; K259-L262 PolarHBondContact O-N 2.56Å; L262-V264 PolarHBondContact O-N 2.97Å; L262-S265 WeakPolarHBondContact CA-O 3.38Å; L262-L268 HydrophobicContact CD2-CD2 3.45Å; L262-L268 VanDerWaalsContact CD2-CD2 3.45Å; L262-V271 HydrophobicContact CD2-CG2 4.23Å; L262-L292 HydrophobicContact CD2-CD2 4.24Å; L262-P299 HydrophobicContact CB-CB 4.04Å; L262-P299 HydrophobicContact CD1-CG 4.44Å
263E98.6Very high98.7Very high53 Ų5332.5 Ų32.525%0.24817%0.165CC..THydrogen-bonded Turntrans-69.1-15.8171.5-71.2176-172.900113K259 R261 P299 V301 S302 A305K259-E263 WeakPolarHBondContact O-CG 3.33Å; K259-E263 PolarHBondContact O-N 2.96Å; K259-E263 VanDerWaalsContact O-N 3.07Å; R261-E263 VanDerWaalsContact C-N 3.28Å; R261-E263 PolarHBondContact O-N 2.78Å; E263-P299 HydrophobicContact CG-CB 4.22Å; E263-V301 CarbonylContact O-C 3.51Å; E263-V301 WeakPolarHBondContact O-CA 3.48Å; E263-S302 PolarHBondContact O-N 2.8Å; E263-A305 HydrophobicContact CB-CB 3.74Å; E263-A305 WeakPolarHBondContact O-CB 3.47Å
264V98.6Very high98.7Very high28 Ų2830.7 Ų30.717%0.1716%0.155CC..THydrogen-bonded Turntrans-104.6-34.8179.9176.40000112S260 R261 L262 W274 A305 V306 D309S260-V264 WeakPolarHBondContact O-CG2 3.35Å; R261-V264 PolarHBondContact O-N 3.36Å; L262-V264 PolarHBondContact O-N 2.97Å; V264-W274 HydrophobicContact CG1-CH2 4.3Å; V264-A305 HydrophobicContact CG2-CB 4.38Å; V264-V306 HydrophobicContact CG1-CG2 4.47Å; V264-D309 HydrophobicContact CG1-CB 4.36Å; V264-D309 HydrophobicContact CG2-CB 3.95Å
265S98.4Very high98.7Very high19 Ų1930.7 Ų30.713%0.13316%0.155CC..  trans-143.5133.6-175-179.50000110.7R261 L262 D267R261-S265 PolarHBondContact O-N 3.23Å; L262-S265 WeakPolarHBondContact CA-O 3.38Å; S265-D267 WeakPolarHBondContact OG-CB 3.36Å; S265-D267 PolarHBondContact OG-N 2.8Å
266D97.8Very high98.7Very high96 Ų9630.3 Ų30.351%0.51315%0.153SC..  trans-90.2-3.6169.369.9-28.7000112.9R23 L268 V301R23-D266 PolarHBondContact NH2-O 2.99Å; D266-L268 PolarHBondContact O-N 3.11Å; D266-V301 HydrophobicContact CB-CG2 3.94Å
267D98.8Very high98.7Very high77 Ų7726.8 Ų26.841%0.41214%0.137SC..  trans-71.2103.8169-178.2-11.9000110.4S265 E269 N270 V271S265-D267 WeakPolarHBondContact OG-CB 3.36Å; S265-D267 PolarHBondContact OG-N 2.8Å; D267-E269 PolarHBondContact OD1-N 3Å; D267-N270 HydrophobicContact CB-CB 3.97Å; D267-N270 PolarHBondContact O-N 3.11Å; D267-N270 PolarHBondContact OD1-N 3.5Å; D267-N270 VanDerWaalsContact OD1-N 3.14Å; D267-V271 WeakPolarHBondContact O-CG2 3.25Å; D267-V271 PolarHBondContact O-N 3.08Å; D267-V271 VanDerWaalsContact O-N 3.08Å
268L98.9Very high98.7Very high5 Ų527 Ų273%0.02614%0.138CC..Hα-helixtrans-72.5-27.6-175.9-56.7-174.7000112.9R23 Y24 L262 D266 N270 V271 C272 L292 C294R23-L268 HydrophobicContact CB-CD1 3.72Å; Y24-L268 VanDerWaalsContact C-CD1 3.49Å; L262-L268 HydrophobicContact CD2-CD2 3.45Å; L262-L268 VanDerWaalsContact CD2-CD2 3.45Å; D266-L268 PolarHBondContact O-N 3.11Å; L268-N270 VanDerWaalsContact C-N 3.35Å; L268-V271 PolarHBondContact O-N 3.37Å; L268-C272 WeakPolarHBondContact O-CB 3.34Å; L268-C272 PolarHBondContact O-N 2.83Å; L268-C272 PolarHBondContact O-SG 3.4Å; L268-L292 HydrophobicContact CD2-CD2 4.05Å; L268-C294 HydrophobicContact CD1-CB 4.28Å
269E98.9Very high98.7Very high41 Ų4126.8 Ų26.819%0.19214%0.137CC..Hα-helixtrans-66.1-44.4173.3-62-172.9160.700109.5N14 A15 H16 D267 V271 C272 N273N14-E269 HydrophobicContact CB-CB 4.14Å; N14-E269 HydrophobicContact CB-CG 4.03Å; A15-E269 VanDerWaalsContact CA-OE1 3.27Å; A15-E269 WeakPolarHBondContact CA-OE1 3.35Å; A15-E269 PolarHBondContact N-OE1 3.36Å; H16-E269 HydrophobicContact CB-CG 3.88Å; H16-E269 IonicContact CE1-OE1 3.85Å; H16-E269 IonicContact CG-OE1 2.64Å; H16-E269 PolarHBondContact N-OE1 3.34Å; H16-E269 VanDerWaalsContact ND1-CD 3.3Å; H16-E269 IonicContact ND1-OE1 3.66Å; H16-E269 PolarHBondContact ND1-OE1 3.41Å; H16-E269 IonicContact ND1-OE2 3.57Å; D267-E269 PolarHBondContact OD1-N 3Å; E269-V271 VanDerWaalsContact C-N 3.35Å; E269-V271 PolarHBondContact O-N 3.44Å; E269-C272 WeakPolarHBondContact O-CB 3.36Å; E269-C272 PolarHBondContact O-N 3.44Å; E269-N273 PolarHBondContact O-N 2.66Å; E269-N273 PolarHBondContact O-ND2 3.16Å
270N98.7Very high98.7Very high47 Ų4724.3 Ų24.325%0.25113%0.127SC..Hα-helixtrans-64.3-38.6177.7-171.945.7000112.4D267 L268 C272 N273 W274D267-N270 HydrophobicContact CB-CB 3.97Å; D267-N270 PolarHBondContact O-N 3.11Å; D267-N270 PolarHBondContact OD1-N 3.5Å; D267-N270 VanDerWaalsContact OD1-N 3.14Å; L268-N270 VanDerWaalsContact C-N 3.35Å; N270-C272 PolarHBondContact O-N 3.07Å; N270-N273 PolarHBondContact O-N 3.48Å; N270-W274 WeakPolarHBondContact ND2-CH2 3.44Å; N270-W274 WeakPolarHBondContact ND2-CZ2 3.34Å; N270-W274 PolarHBondContact O-N 3.47Å
271V98.9Very high98.7Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-61.5-43.8172.6176.10000111.3V258 R261 L262 D267 L268 E269 W274 V275 L292V258-V271 HydrophobicContact CG1-CG1 4.39Å; R261-V271 HydrophobicContact CB-CB 4.49Å; R261-V271 HydrophobicContact CB-CG1 3.9Å; R261-V271 HydrophobicContact CB-CG2 4.04Å; L262-V271 HydrophobicContact CD2-CG2 4.23Å; D267-V271 WeakPolarHBondContact O-CG2 3.25Å; D267-V271 PolarHBondContact O-N 3.08Å; D267-V271 VanDerWaalsContact O-N 3.08Å; L268-V271 PolarHBondContact O-N 3.37Å; E269-V271 VanDerWaalsContact C-N 3.35Å; E269-V271 PolarHBondContact O-N 3.44Å; V271-W274 HydrophobicContact CG2-CE3 4.29Å; V271-W274 HydrophobicContact CG2-CZ3 4.32Å; V271-W274 PolarHBondContact O-N 3.48Å; V271-V275 WeakPolarHBondContact O-CG2 3.36Å; V271-V275 PolarHBondContact O-N 3.22Å; V271-L292 HydrophobicContact CB-CD2 4.13Å; V271-L292 HydrophobicContact CG1-CD2 3.66Å
272C98.9Very high98.7Very high1 Ų128.5 Ų28.51%0.00714%0.144CC..Hα-helixtrans-63-42.1175.1-72.60000112.4G25 L268 E269 N270 W274 V275 V276 V290 L292G25-C272 PolarHBondContact O-SG 3.45Å; G25-C272 VanDerWaalsContact O-SG 3.4Å; L268-C272 WeakPolarHBondContact O-CB 3.34Å; L268-C272 PolarHBondContact O-N 2.83Å; L268-C272 PolarHBondContact O-SG 3.4Å; E269-C272 WeakPolarHBondContact O-CB 3.36Å; E269-C272 PolarHBondContact O-N 3.44Å; N270-C272 PolarHBondContact O-N 3.07Å; C272-W274 VanDerWaalsContact C-N 3.33Å; C272-W274 PolarHBondContact O-N 3.18Å; C272-V275 WeakPolarHBondContact O-CB 3.35Å; C272-V275 PolarHBondContact O-N 2.83Å; C272-V275 VanDerWaalsContact O-N 3.17Å; C272-V276 WeakPolarHBondContact O-CG2 3.43Å; C272-V276 PolarHBondContact O-N 3.21Å; C272-V290 HydrophobicContact CB-CG1 3.8Å; C272-L292 VanDerWaalsContact SG-CB 3.58Å
273N98.9Very high98.7Very high24 Ų2430.4 Ų30.413%0.12817%0.166CC..Hα-helixtrans-59.3-44.7175-69.6-34.3000111.3K12 N14 S27 E269 N270 V275 V276 D277K12-N273 WeakPolarHBondContact CB-OD1 3.04Å; K12-N273 VanDerWaalsContact CG-OD1 3.28Å; K12-N273 WeakPolarHBondContact CG-OD1 3.45Å; N14-N273 PolarHBondContact ND2-ND2 3.4Å; N14-N273 VanDerWaalsContact ND2-ND2 3.2Å; N14-N273 PolarHBondContact ND2-OD1 3.19Å; N14-N273 PolarHBondContact OD1-OD1 3.33Å; S27-N273 PolarHBondContact OG-OD1 2.7Å; E269-N273 PolarHBondContact O-N 2.66Å; E269-N273 PolarHBondContact O-ND2 3.16Å; N270-N273 PolarHBondContact O-N 3.48Å; N273-V275 VanDerWaalsContact C-N 3.32Å; N273-V275 PolarHBondContact O-N 3.3Å; N273-V276 PolarHBondContact O-N 3.37Å; N273-D277 WeakPolarHBondContact O-CB 3.42Å; N273-D277 PolarHBondContact O-N 2.79Å
274W98.9Very high98.7Very high37 Ų3728.2 Ų28.214%0.1416%0.156CC..Hα-helixtrans-60.9-39175.6-72.9-28.8000112.5F257 R261 V264 N270 V271 C272 T278 H361F257-W274 HydrophobicContact CE1-CB 4.35Å; F257-W274 HydrophobicContact CZ-CB 4.3Å; R261-W274 HydrophobicContact CB-CE3 3.75Å; R261-W274 HydrophobicContact CB-CZ3 3.98Å; R261-W274 VanDerWaalsContact CD-CE3 3.48Å; R261-W274 HydrophobicContact CG-CE3 3.73Å; R261-W274 HydrophobicContact CG-CZ3 4.31Å; V264-W274 HydrophobicContact CG1-CH2 4.3Å; N270-W274 WeakPolarHBondContact ND2-CH2 3.44Å; N270-W274 WeakPolarHBondContact ND2-CZ2 3.34Å; N270-W274 PolarHBondContact O-N 3.47Å; V271-W274 HydrophobicContact CG2-CE3 4.29Å; V271-W274 HydrophobicContact CG2-CZ3 4.32Å; V271-W274 PolarHBondContact O-N 3.48Å; C272-W274 VanDerWaalsContact C-N 3.33Å; C272-W274 PolarHBondContact O-N 3.18Å; W274-T278 WeakPolarHBondContact O-CB 3.42Å; W274-T278 PolarHBondContact O-N 2.68Å; W274-T278 PolarHBondContact O-OG1 2.94Å; W274-H361 AromaticContact NE1-CE1 3.94Å; W274-H361 AromaticContact NE1-NE2 3.99Å
275V98.9Very high98.7Very high1 Ų132.5 Ų32.51%0.00617%0.169CC..Hα-helixtrans-60.9-51.9174.3167.90000110.7I245 L254 F257 V258 V271 C272 N273 T278 C279 V290I245-V275 HydrophobicContact CD1-CG1 4.12Å; I245-V275 HydrophobicContact CG2-CG1 4.19Å; L254-V275 HydrophobicContact CD1-CB 4.39Å; L254-V275 HydrophobicContact CD1-CG1 3.65Å; L254-V275 HydrophobicContact CD1-CG2 3.86Å; F257-V275 HydrophobicContact CD1-CG2 3.97Å; F257-V275 HydrophobicContact CE1-CG2 4Å; V258-V275 HydrophobicContact CG2-CG2 3.85Å; V271-V275 WeakPolarHBondContact O-CG2 3.36Å; V271-V275 PolarHBondContact O-N 3.22Å; C272-V275 WeakPolarHBondContact O-CB 3.35Å; C272-V275 PolarHBondContact O-N 2.83Å; C272-V275 VanDerWaalsContact O-N 3.17Å; N273-V275 VanDerWaalsContact C-N 3.32Å; N273-V275 PolarHBondContact O-N 3.3Å; V275-T278 PolarHBondContact O-N 3.18Å; V275-C279 PolarHBondContact O-N 3.22Å; V275-C279 PolarHBondContact O-SG 2.95Å; V275-V290 HydrophobicContact CG1-CG1 4.39Å; V275-V290 HydrophobicContact CG1-CG2 4.42Å
276V98.9Very high98.7Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-61.5-47.8-177.6171.30000111.4K12 M29 I245 C272 N273 T278 C279 L280 M288 V290K12-V276 HydrophobicContact CD-CG1 4.34Å; M29-V276 HydrophobicContact CB-CG1 3.57Å; M29-V276 HydrophobicContact CE-CG1 3.41Å; M29-V276 VanDerWaalsContact CE-CG1 3.41Å; M29-V276 HydrophobicContact CG-CG1 4.23Å; M29-V276 HydrophobicContact SD-CG1 3.7Å; I245-V276 HydrophobicContact CD1-CG2 4.33Å; C272-V276 WeakPolarHBondContact O-CG2 3.43Å; C272-V276 PolarHBondContact O-N 3.21Å; N273-V276 PolarHBondContact O-N 3.37Å; V276-T278 VanDerWaalsContact C-N 3.35Å; V276-T278 PolarHBondContact O-N 2.66Å; V276-C279 PolarHBondContact O-N 2.91Å; V276-L280 PolarHBondContact O-N 2.85Å; V276-M288 HydrophobicContact CG1-CB 4.05Å; V276-M288 HydrophobicContact CG1-SD 4.32Å; V276-M288 HydrophobicContact CG2-CB 4.43Å; V276-V290 HydrophobicContact CG2-CG1 3.75Å
277D98.9Very high98.7Very high34 Ų3428 Ų2818%0.18214%0.144CC..Hα-helixtrans-64.6-40.6177.6-76.3-26000111.4K12 N273 C279 L280 H281K12-D277 WeakPolarHBondContact CE-OD1 3.47Å; K12-D277 IonicContact NZ-OD1 3.4Å; K12-D277 PolarHBondContact NZ-OD1 3Å; K12-D277 IonicContact NZ-OD2 3.58Å; K12-D277 PolarHBondContact NZ-OD2 2.69Å; N273-D277 WeakPolarHBondContact O-CB 3.42Å; N273-D277 PolarHBondContact O-N 2.79Å; D277-C279 VanDerWaalsContact C-N 3.3Å; D277-C279 PolarHBondContact O-N 3.09Å; D277-L280 WeakPolarHBondContact O-CB 3.44Å; D277-L280 PolarHBondContact O-N 2.98Å; D277-H281 WeakPolarHBondContact O-CB 3.49Å; D277-H281 PolarHBondContact O-CE1 3.22Å; D277-H281 PolarHBondContact O-N 2.8Å; D277-H281 PolarHBondContact O-ND1 3.41Å
278T98.9Very high98.7Very high3 Ų324.4 Ų24.42%0.01812%0.124CC..Hα-helixtrans-59.4-43176.2-61.30000111.3M249 F257 W274 V275 V276 H281 K282 A357 G358M249-T278 HydrophobicContact SD-CG2 4.15Å; F257-T278 HydrophobicContact CZ-CG2 4.34Å; F257-T278 VanDerWaalsContact CZ-OG1 3.28Å; F257-T278 WeakPolarHBondContact CZ-OG1 3.27Å; W274-T278 WeakPolarHBondContact O-CB 3.42Å; W274-T278 PolarHBondContact O-N 2.68Å; W274-T278 PolarHBondContact O-OG1 2.94Å; V275-T278 PolarHBondContact O-N 3.18Å; V276-T278 VanDerWaalsContact C-N 3.35Å; V276-T278 PolarHBondContact O-N 2.66Å; T278-H281 PolarHBondContact O-N 2.94Å; T278-K282 HydrophobicContact CG2-CD 4.08Å; T278-K282 WeakPolarHBondContact O-CB 3.21Å; T278-K282 WeakPolarHBondContact O-CG 3.23Å; T278-K282 PolarHBondContact O-N 2.82Å; T278-A357 HydrophobicContact CG2-CB 4.37Å; T278-G358 WeakPolarHBondContact OG1-CA 3.41Å
279C98.9Very high98.7Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-67.2-41.8178.5-66.10000112.1I245 V248 M249 V275 V276 D277 H281 K282 G283 S284 M288I245-C279 HydrophobicContact CD1-CB 3.76Å; V248-C279 HydrophobicContact CG2-CB 3.59Å; M249-C279 VanDerWaalsContact SD-SG 3.61Å; V275-C279 PolarHBondContact O-N 3.22Å; V275-C279 PolarHBondContact O-SG 2.95Å; V276-C279 PolarHBondContact O-N 2.91Å; D277-C279 VanDerWaalsContact C-N 3.3Å; D277-C279 PolarHBondContact O-N 3.09Å; C279-H281 VanDerWaalsContact C-N 3.3Å; C279-H281 PolarHBondContact O-N 3.08Å; C279-K282 PolarHBondContact O-N 3.24Å; C279-G283 PolarHBondContact O-N 2.97Å; C279-S284 WeakPolarHBondContact O-CB 3.15Å; C279-S284 PolarHBondContact O-N 2.87Å; C279-M288 HydrophobicContact CB-SD 3.73Å
280L98.8Very high98.7Very high16 Ų1622.5 Ų22.58%0.08412%0.116CC..Hα-helixtrans-56-46.7171.1-177.868.7000111.1P8 T10 M29 V276 D277 K282 G283 M288P8-L280 HydrophobicContact CB-CD1 4.15Å; P8-L280 HydrophobicContact CB-CD2 4.49Å; P8-L280 HydrophobicContact CG-CD2 4.38Å; T10-L280 HydrophobicContact CG2-CD2 3.86Å; M29-L280 HydrophobicContact CE-CB 3.97Å; M29-L280 HydrophobicContact CE-CD1 4.16Å; M29-L280 HydrophobicContact CE-CD2 3.82Å; M29-L280 HydrophobicContact CE-CG 4.2Å; V276-L280 PolarHBondContact O-N 2.85Å; D277-L280 WeakPolarHBondContact O-CB 3.44Å; D277-L280 PolarHBondContact O-N 2.98Å; L280-K282 VanDerWaalsContact C-N 3.32Å; L280-K282 PolarHBondContact O-N 2.83Å; L280-G283 WeakPolarHBondContact O-CA 3.14Å; L280-G283 PolarHBondContact O-N 3.2Å; L280-M288 HydrophobicContact CB-CE 4.06Å; L280-M288 HydrophobicContact CD1-CE 4.05Å
281H98.3Very high98.7Very high39 Ų3920.3 Ų20.318%0.18110%0.104CC..Hα-helixtrans-70.5-25.8-179.5-63.1139.9000113.7D277 T278 C279 G283 A357 R360D277-H281 WeakPolarHBondContact O-CB 3.49Å; D277-H281 PolarHBondContact O-CE1 3.22Å; D277-H281 PolarHBondContact O-N 2.8Å; D277-H281 PolarHBondContact O-ND1 3.41Å; T278-H281 PolarHBondContact O-N 2.94Å; C279-H281 VanDerWaalsContact C-N 3.3Å; C279-H281 PolarHBondContact O-N 3.08Å; H281-G283 PolarHBondContact O-N 2.87Å; H281-A357 HydrophobicContact CB-CB 3.87Å; H281-R360 HydrophobicContact CB-CB 4.45Å; H281-R360 WeakPolarHBondContact CD2-CD 3.43Å; H281-R360 PolarHBondContact CD2-NE 3.17Å
282K98.3Very high98.7Very high72 Ų7220.4 Ų20.431%0.31310%0.104SC..THydrogen-bonded Turntrans-75.6-6.7169.4-76.1171171.8-87.30113.1V248 M249 T278 C279 L280 G353 A357V248-K282 HydrophobicContact CB-CB 3.97Å; V248-K282 HydrophobicContact CG2-CB 4.21Å; M249-K282 HydrophobicContact CG-CD 3.7Å; M249-K282 HydrophobicContact SD-CD 4.12Å; T278-K282 HydrophobicContact CG2-CD 4.08Å; T278-K282 WeakPolarHBondContact O-CB 3.21Å; T278-K282 WeakPolarHBondContact O-CG 3.23Å; T278-K282 PolarHBondContact O-N 2.82Å; C279-K282 PolarHBondContact O-N 3.24Å; L280-K282 VanDerWaalsContact C-N 3.32Å; L280-K282 PolarHBondContact O-N 2.83Å; K282-G353 WeakPolarHBondContact CE-O 3.5Å; K282-G353 PolarHBondContact NZ-O 3.02Å; K282-A357 HydrophobicContact CG-CB 3.79Å
283G98Very high98.7Very high46 Ų4620.4 Ų20.447%0.47410%0.104SC..THydrogen-bonded Turntrans105.512.8172.200000114.5C279 L280 H281 R285C279-G283 PolarHBondContact O-N 2.97Å; L280-G283 WeakPolarHBondContact O-CA 3.14Å; L280-G283 PolarHBondContact O-N 3.2Å; H281-G283 PolarHBondContact O-N 2.87Å; G283-R285 WeakPolarHBondContact O-CG 3.39Å; G283-R285 PolarHBondContact O-N 2.86Å
284S98.5Very high98.7Very high6 Ų619.5 Ų19.54%0.04210%0.1CC..  trans-58.9132.8168.2-179.50000109.6G244 C279G244-S284 WeakPolarHBondContact O-CB 3.23Å; G244-S284 PolarHBondContact O-OG 3.48Å; C279-S284 WeakPolarHBondContact O-CB 3.15Å; C279-S284 PolarHBondContact O-N 2.87Å
285R98.3Very high98.7Very high118 Ų11818.2 Ų18.245%0.44510%0.095SC..  trans-116.416.4179-55.4-171.674.7175.13.8112.1F4 W32 G283F4-R285 HydrophobicContact CD1-CB 4.4Å; F4-R285 HydrophobicContact CE1-CB 3.75Å; F4-R285 HydrophobicContact CZ-CB 4.22Å; W32-R285 HydrophobicContact CB-CB 4.03Å; W32-R285 HydrophobicContact CG-CB 4.22Å; W32-R285 HydrophobicContact CG-CG 4.39Å; G283-R285 WeakPolarHBondContact O-CG 3.39Å; G283-R285 PolarHBondContact O-N 2.86Å
286D98.4Very high98.6Very high20 Ų2021.6 Ų21.611%0.10712%0.119CC..SBendtrans-100.4174.6-176-135.6-34.2000113.1R33 M288R33-D286 IonicContact CZ-OD1 2.82Å; R33-D286 IonicContact CZ-OD2 2.83Å; R33-D286 IonicContact NE-OD1 2.66Å; R33-D286 PolarHBondContact NE-OD1 2.94Å; R33-D286 IonicContact NE-OD2 3.3Å; R33-D286 IonicContact NH1-OD1 3.6Å; R33-D286 IonicContact NH2-OD1 3.52Å; R33-D286 PolarHBondContact NH2-OD1 3.44Å; R33-D286 IonicContact NH2-OD2 2.86Å; R33-D286 PolarHBondContact NH2-OD2 3Å; D286-M288 WeakPolarHBondContact O-CE 3.25Å
287N98.8Very high98.5Very high2 Ų225.5 Ų25.51%0.01114%0.14CC..  trans-60.5147.6153.7-62.6154.6000108.7Q30 R33 E35 M36 E37Q30-N287 PolarHBondContact O-ND2 3.3Å; R33-N287 WeakPolarHBondContact CB-ND2 3.37Å; E35-N287 PolarHBondContact O-ND2 3.17Å; E35-N287 PolarHBondContact O-OD1 2.86Å; M36-N287 HydrophobicContact SD-CB 3.85Å; E37-N287 PolarHBondContact N-OD1 2.82Å
288M98.9Very high98.5Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-137.1121.9-178.7-79.5169.8-84.900109.2S28 M29 G244 I245 V276 C279 L280 D286S28-M288 CarbonylContact C-O 3.53Å; S28-M288 VanDerWaalsContact CA-O 3.24Å; S28-M288 WeakPolarHBondContact CA-O 3.37Å; M29-M288 HydrophobicContact CE-CE 3.33Å; M29-M288 HydrophobicContact CE-SD 4.34Å; M29-M288 PolarHBondContact N-O 3.24Å; M29-M288 PolarHBondContact O-N 3.07Å; G244-M288 WeakPolarHBondContact O-CG 3.45Å; I245-M288 HydrophobicContact CD1-CB 3.91Å; I245-M288 HydrophobicContact CD1-CG 3.75Å; I245-M288 HydrophobicContact CD1-SD 3.99Å; I245-M288 HydrophobicContact CG1-CB 4.46Å; I245-M288 HydrophobicContact CG1-CG 4.35Å; V276-M288 HydrophobicContact CG1-CB 4.05Å; V276-M288 HydrophobicContact CG1-SD 4.32Å; V276-M288 HydrophobicContact CG2-CB 4.43Å; C279-M288 HydrophobicContact CB-SD 3.73Å; L280-M288 HydrophobicContact CB-CE 4.06Å; L280-M288 HydrophobicContact CD1-CE 4.05Å; D286-M288 WeakPolarHBondContact O-CE 3.25Å
289S98.9Very high98.4Very high2 Ų225 Ų251%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-129.6134.5172.3-61.10000110S27 S28 D38 A241 C242S27-S289 WeakPolarHBondContact O-CA 3.3Å; S28-S289 VanDerWaalsContact CB-OG 3.25Å; S28-S289 WeakPolarHBondContact CB-OG 3.25Å; D38-S289 WeakPolarHBondContact CB-OG 3.36Å; D38-S289 VanDerWaalsContact OD2-CB 3.27Å; D38-S289 WeakPolarHBondContact OD2-CB 3.15Å; D38-S289 PolarHBondContact OD2-N 3.48Å; D38-S289 PolarHBondContact OD2-OG 2.96Å; A241-S289 WeakPolarHBondContact CA-O 3.19Å; A241-S289 VanDerWaalsContact CB-O 3.29Å; A241-S289 WeakPolarHBondContact CB-O 3.47Å; C242-S289 PolarHBondContact N-O 2.85Å; C242-S289 PolarHBondContact SG-N 3.05Å
290V98.9Very high98.4Very high4 Ų431.1 Ų31.12%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-137.7136.9176.5620000110.4L26 S27 V239 L240 A241 C272 V275 V276L26-V290 WeakPolarHBondContact CA-O 3.47Å; L26-V290 VanDerWaalsContact CB-O 3.29Å; L26-V290 WeakPolarHBondContact CB-O 3.4Å; S27-V290 PolarHBondContact N-O 3.12Å; S27-V290 PolarHBondContact O-N 3Å; V239-V290 HydrophobicContact CG1-CG2 3.75Å; L240-V290 CarbonylContact O-C 3.59Å; L240-V290 VanDerWaalsContact O-CA 3.28Å; L240-V290 WeakPolarHBondContact O-CA 3.45Å; A241-V290 HydrophobicContact CB-CB 4.19Å; A241-V290 HydrophobicContact CB-CG2 4.22Å; C272-V290 HydrophobicContact CB-CG1 3.8Å; V275-V290 HydrophobicContact CG1-CG1 4.39Å; V275-V290 HydrophobicContact CG1-CG2 4.42Å; V276-V290 HydrophobicContact CG2-CG1 3.75Å
291V99Very high98.4Very high1 Ų133.7 Ų33.71%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-118.1124.5169.2-177.60000108.1L26 F56 V58 V239 L240 V293L26-V291 HydrophobicContact CB-CB 4.3Å; L26-V291 HydrophobicContact CB-CG1 4.42Å; L26-V291 HydrophobicContact CB-CG2 3.86Å; L26-V291 HydrophobicContact CD2-CG2 4.31Å; F56-V291 HydrophobicContact CB-CG1 4.25Å; F56-V291 HydrophobicContact CD1-CG1 4.07Å; F56-V291 HydrophobicContact CG-CG1 4.44Å; V58-V291 HydrophobicContact CG2-CG2 3.76Å; V239-V291 WeakPolarHBondContact CA-O 3.44Å; L240-V291 HydrophobicContact CB-CB 4.34Å; L240-V291 HydrophobicContact CD1-CB 4.11Å; L240-V291 HydrophobicContact CD1-CG1 4.25Å; L240-V291 PolarHBondContact N-O 2.97Å; L240-V291 PolarHBondContact O-N 3.17Å; V291-V293 HydrophobicContact CG1-CG2 4.03Å
292L98.9Very high98.4Very high2 Ų233.4 Ų33.41%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-108.3118.9174.6175.860.6000109.2Y24 G25 F237 V239 V258 L262 L268 V271 C272Y24-L292 CarbonylContact C-O 3.49Å; Y24-L292 WeakPolarHBondContact CA-O 3.35Å; Y24-L292 WeakPolarHBondContact CB-O 3.33Å; G25-L292 PolarHBondContact N-O 3.21Å; G25-L292 PolarHBondContact O-N 3.42Å; F237-L292 HydrophobicContact CB-CD1 3.94Å; F237-L292 HydrophobicContact CD2-CD1 4Å; F237-L292 HydrophobicContact CG-CD1 4.14Å; V239-L292 HydrophobicContact CG2-CD1 4.05Å; V258-L292 HydrophobicContact CG1-CD1 3.73Å; V258-L292 HydrophobicContact CG1-CD2 4.01Å; L262-L292 HydrophobicContact CD2-CD2 4.24Å; L268-L292 HydrophobicContact CD2-CD2 4.05Å; V271-L292 HydrophobicContact CB-CD2 4.13Å; V271-L292 HydrophobicContact CG1-CD2 3.66Å; C272-L292 VanDerWaalsContact SG-CB 3.58Å
293V98.9Very high98.4Very high1 Ų137.8 Ų37.81%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-112.5114.4177.2-173.70000108.8L22 R23 F56 F237 V238 L240 V291L22-V293 HydrophobicContact CB-CG1 4.45Å; L22-V293 HydrophobicContact CD1-CG1 4.38Å; R23-V293 CarbonylContact O-C 3.59Å; F56-V293 HydrophobicContact CB-CG2 4.25Å; F56-V293 HydrophobicContact CD1-CG2 4Å; F56-V293 HydrophobicContact CD2-CG1 4.3Å; F56-V293 HydrophobicContact CD2-CG2 3.64Å; F56-V293 HydrophobicContact CE1-CG2 4.25Å; F56-V293 HydrophobicContact CE2-CG1 3.85Å; F56-V293 HydrophobicContact CE2-CG2 3.89Å; F56-V293 HydrophobicContact CG-CG2 3.68Å; F56-V293 HydrophobicContact CZ-CG1 4.24Å; F56-V293 HydrophobicContact CZ-CG2 4.19Å; F237-V293 CarbonylContact C-O 2.93Å; F237-V293 WeakPolarHBondContact CA-O 3.25Å; F237-V293 VanDerWaalsContact CB-O 3.3Å; F237-V293 WeakPolarHBondContact CB-O 3.23Å; V238-V293 HydrophobicContact CB-CB 4.44Å; V238-V293 PolarHBondContact N-O 3.2Å; V238-V293 PolarHBondContact O-N 3.42Å; L240-V293 HydrophobicContact CD1-CG2 4.25Å; V291-V293 HydrophobicContact CG1-CG2 4.03Å
294C98.9Very high98.4Very high6 Ų641.6 Ų41.64%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-99.5134179.1-69.60000111.6L22 R23 L268 A298L22-C294 WeakPolarHBondContact CA-O 3.45Å; R23-C294 PolarHBondContact N-O 3.28Å; R23-C294 PolarHBondContact O-N 3.4Å; L268-C294 HydrophobicContact CD1-CB 4.28Å; C294-A298 HydrophobicContact CB-CB 3.72Å
295F98.7Very high98.4Very high9 Ų941.5 Ų41.54%0.03921%0.211CC..  trans-90177.2171.5-63.9-89.8000111L22 V139 M144 D235 E236 V238 N297 A298L22-F295 HydrophobicContact CD2-CD1 3.43Å; L22-F295 VanDerWaalsContact CD2-CD1 3.43Å; L22-F295 HydrophobicContact CD2-CE1 3.49Å; L22-F295 VanDerWaalsContact CD2-CE1 3.49Å; L22-F295 HydrophobicContact CD2-CG 4.24Å; L22-F295 HydrophobicContact CD2-CZ 4.32Å; V139-F295 HydrophobicContact CG1-CE1 4.36Å; M144-F295 HydrophobicContact CG-CZ 4.35Å; M144-F295 HydrophobicContact SD-CE1 4.14Å; M144-F295 HydrophobicContact SD-CE2 4.09Å; M144-F295 HydrophobicContact SD-CZ 3.42Å; M144-F295 WeakPolarHBondContact SD-CZ 3.2Å; D235-F295 HydrophobicContact CB-CB 4.23Å; D235-F295 HydrophobicContact CB-CD1 4.26Å; D235-F295 HydrophobicContact CB-CD2 3.99Å; D235-F295 HydrophobicContact CB-CE2 4.47Å; D235-F295 HydrophobicContact CB-CG 3.89Å; D235-F295 WeakPolarHBondContact O-CB 3.44Å; E236-F295 PolarHBondContact O-N 2.97Å; V238-F295 HydrophobicContact CG2-CE2 3.95Å; V238-F295 HydrophobicContact CG2-CZ 4.43Å; F295-N297 PolarHBondContact O-N 3.12Å; F295-A298 VanDerWaalsContact O-CB 3.29Å; F295-A298 WeakPolarHBondContact O-CB 3.45Å; F295-A298 PolarHBondContact O-N 3.32Å; F295-A298 VanDerWaalsContact O-N 3.13Å
296S96.6Very high98.4Very high72 Ų7238.6 Ų38.650%0.50321%0.206SC..THydrogen-bonded Turntrans-53.3-40.6179.445.80000112.8K300S296-K300 PolarHBondContact O-NZ 2.92Å
297N96.6Very high98.4Very high83 Ų8343.8 Ų43.844%0.44423%0.228SC..THydrogen-bonded Turntrans-92.910.1-177-73.8-32000114.7E233 F295E233-N297 WeakPolarHBondContact O-CB 3.34Å; E233-N297 PolarHBondContact O-ND2 3.35Å; F295-N297 PolarHBondContact O-N 3.12Å
298A98.3Very high98.3Very high4 Ų449.5 Ų49.53%0.03325%0.249CC..SBendtrans-50144.2168.700000111.6E236 C294 F295 K300E236-A298 WeakPolarHBondContact O-CA 3.32Å; E236-A298 VanDerWaalsContact O-CB 3.23Å; E236-A298 WeakPolarHBondContact O-CB 3.31Å; C294-A298 HydrophobicContact CB-CB 3.72Å; F295-A298 VanDerWaalsContact O-CB 3.29Å; F295-A298 WeakPolarHBondContact O-CB 3.45Å; F295-A298 PolarHBondContact O-N 3.32Å; F295-A298 VanDerWaalsContact O-N 3.13Å; A298-K300 WeakPolarHBondContact O-CD 3.42Å; A298-K300 WeakPolarHBondContact O-CE 3.47Å; A298-K300 PolarHBondContact O-N 3.45Å; A298-K300 PolarHBondContact O-NZ 3.09Å
299P98.2Very high98.3Very high22 Ų2250.3 Ų50.314%0.14325%0.254CS..PPolyproline II helixtrans-47.2137176.3-27.133000111.6E236 F237 K259 L262 E263E236-P299 WeakPolarHBondContact OE2-CD 3.34Å; E236-P299 VanDerWaalsContact OE2-CG 3.31Å; E236-P299 WeakPolarHBondContact OE2-CG 3.34Å; F237-P299 HydrophobicContact CE1-CG 4.35Å; K259-P299 HydrophobicContact CB-CG 4.43Å; K259-P299 HydrophobicContact CD-CG 4.43Å; K259-P299 HydrophobicContact CG-CB 4.44Å; K259-P299 HydrophobicContact CG-CG 3.87Å; L262-P299 HydrophobicContact CB-CB 4.04Å; L262-P299 HydrophobicContact CD1-CG 4.44Å; E263-P299 HydrophobicContact CG-CB 4.22Å
300K97.9Very high98.2Very high129 Ų12952.7 Ų52.756%0.56127%0.27SS*.PPolyproline II helixtrans-101.4156.1178.3-55.2-54.4179.3-142.70109.6S296 A298 S302S296-K300 PolarHBondContact O-NZ 2.92Å; A298-K300 WeakPolarHBondContact O-CD 3.42Å; A298-K300 WeakPolarHBondContact O-CE 3.47Å; A298-K300 PolarHBondContact O-N 3.45Å; A298-K300 PolarHBondContact O-NZ 3.09Å; K300-S302 PolarHBondContact O-N 2.89Å
301V98.6Very high98.2Very high69 Ų6957.3 Ų57.342%0.41829%0.291SS..PPolyproline II helixtrans-56128.6173.2-178.60000109.5E263 D266 V306E263-V301 CarbonylContact O-C 3.51Å; E263-V301 WeakPolarHBondContact O-CA 3.48Å; D266-V301 HydrophobicContact CB-CG2 3.94Å; V301-V306 HydrophobicContact CG1-CG2 3.66Å
302S98.3Very high98.1Very high34 Ų3457.7 Ų57.724%0.23829%0.293CS..  trans-112130.4176.4154.30000109.1E263 K300 E304 A305 V306E263-S302 PolarHBondContact O-N 2.8Å; K300-S302 PolarHBondContact O-N 2.89Å; S302-E304 PolarHBondContact O-N 2.91Å; S302-E304 PolarHBondContact OG-N 2.92Å; S302-E304 PolarHBondContact OG-OE2 3.41Å; S302-A305 PolarHBondContact O-N 2.8Å; S302-A305 VanDerWaalsContact O-N 3.1Å; S302-A305 PolarHBondContact OG-N 2.8Å; S302-A305 VanDerWaalsContact OG-N 3.16Å; S302-V306 WeakPolarHBondContact O-CG2 3.39Å; S302-V306 PolarHBondContact O-N 2.79Å
303E98.1Very high98.1Very high164 Ų16459.3 Ų59.377%0.76630%0.302SS*.Hα-helixtrans-58.8-36.8176.5-65.8-173.6177.300111.4K307E303-K307 VanDerWaalsContact O-CB 3.25Å; E303-K307 WeakPolarHBondContact O-CB 3.4Å; E303-K307 PolarHBondContact O-N 2.88Å
304E98.1Very high98.1Very high126 Ų12665 Ų6559%0.58933%0.327SS*.Hα-helixtrans-66.9-40.1175.8-60.376.9-168.800112.2S302 R308S302-E304 PolarHBondContact O-N 2.91Å; S302-E304 PolarHBondContact OG-N 2.92Å; S302-E304 PolarHBondContact OG-OE2 3.41Å; E304-R308 WeakPolarHBondContact O-CB 3.43Å; E304-R308 VanDerWaalsContact O-CG 3.26Å; E304-R308 WeakPolarHBondContact O-CG 3.42Å; E304-R308 PolarHBondContact O-N 2.69Å; E304-R308 PolarHBondContact O-NE 3.21Å
305A98.1Very high98Very high3 Ų368.5 Ų68.53%0.02534%0.342CS..Hα-helixtrans-67.4-45.4176.500000111.8E263 V264 S302 K307 R308 D309E263-A305 HydrophobicContact CB-CB 3.74Å; E263-A305 WeakPolarHBondContact O-CB 3.47Å; V264-A305 HydrophobicContact CG2-CB 4.38Å; S302-A305 PolarHBondContact O-N 2.8Å; S302-A305 VanDerWaalsContact O-N 3.1Å; S302-A305 PolarHBondContact OG-N 2.8Å; S302-A305 VanDerWaalsContact OG-N 3.16Å; A305-K307 VanDerWaalsContact C-N 3.34Å; A305-K307 PolarHBondContact O-N 3.07Å; A305-R308 PolarHBondContact O-N 2.76Å; A305-D309 PolarHBondContact O-N 3.18Å
306V98.4Very high98Very high57 Ų5768.1 Ų68.135%0.34534%0.34SS..Hα-helixtrans-58.5-46.3174.9172.70000110.9V264 V301 S302 D309 S310V264-V306 HydrophobicContact CG1-CG2 4.47Å; V301-V306 HydrophobicContact CG1-CG2 3.66Å; S302-V306 WeakPolarHBondContact O-CG2 3.39Å; S302-V306 PolarHBondContact O-N 2.79Å; V306-D309 PolarHBondContact O-N 2.88Å; V306-S310 WeakPolarHBondContact O-CB 3.41Å; V306-S310 PolarHBondContact O-N 2.86Å
307K98.2Very high98Very high129 Ų12967.7 Ų67.756%0.56133%0.331SS*.Hα-helixtrans-62-46.1177.8-176.9177.6173.3-177.20111.7E303 A305 D309 S310 E311E303-K307 VanDerWaalsContact O-CB 3.25Å; E303-K307 WeakPolarHBondContact O-CB 3.4Å; E303-K307 PolarHBondContact O-N 2.88Å; A305-K307 VanDerWaalsContact C-N 3.34Å; A305-K307 PolarHBondContact O-N 3.07Å; K307-D309 PolarHBondContact O-N 2.66Å; K307-S310 PolarHBondContact O-N 2.84Å; K307-E311 WeakPolarHBondContact CE-OE1 3.41Å; K307-E311 WeakPolarHBondContact O-CB 3.23Å; K307-E311 WeakPolarHBondContact O-CG 3.48Å; K307-E311 PolarHBondContact O-N 3.04Å
308R97.8Very high98.1Very high122 Ų12266.5 Ų66.546%0.4633%0.328SS..Hα-helixtrans-61.3-42.1177.3-77.3-177.4-62.1120.3-4.4112.3E304 A305 E311 L312E304-R308 WeakPolarHBondContact O-CB 3.43Å; E304-R308 VanDerWaalsContact O-CG 3.26Å; E304-R308 WeakPolarHBondContact O-CG 3.42Å; E304-R308 PolarHBondContact O-N 2.69Å; E304-R308 PolarHBondContact O-NE 3.21Å; A305-R308 PolarHBondContact O-N 2.76Å; R308-E311 PolarHBondContact O-N 3.23Å; R308-L312 WeakPolarHBondContact O-CB 3.44Å; R308-L312 PolarHBondContact O-N 2.8Å
309D97.9Very high98Very high18 Ų1868 Ų6810%0.09633%0.333CS..Hα-helixtrans-66.8-40.5178.8-156.682.3000110.9R261 V264 A305 V306 K307 L312 D313 K359R261-D309 IonicContact CZ-OD1 2.8Å; R261-D309 VanDerWaalsContact CZ-OD1 3.3Å; R261-D309 IonicContact NH1-OD1 3.95Å; R261-D309 PolarHBondContact NH1-OD1 3.2Å; R261-D309 IonicContact NH1-OD2 2.79Å; R261-D309 IonicContact NH2-OD1 3.21Å; R261-D309 PolarHBondContact NH2-OD1 2.82Å; V264-D309 HydrophobicContact CG1-CB 4.36Å; V264-D309 HydrophobicContact CG2-CB 3.95Å; A305-D309 PolarHBondContact O-N 3.18Å; V306-D309 PolarHBondContact O-N 2.88Å; K307-D309 PolarHBondContact O-N 2.66Å; D309-L312 WeakPolarHBondContact O-CB 3.31Å; D309-L312 PolarHBondContact O-N 3.5Å; D309-D313 PolarHBondContact O-N 3.49Å; D309-K359 IonicContact OD1-NZ 3.53Å; D309-K359 IonicContact OD2-NZ 3.77Å; D309-K359 PolarHBondContact OD2-NZ 2.88Å
310S97.9Very high97.9Very high51 Ų5167 Ų6736%0.35733%0.327SS..Hα-helixtrans-66.7-36.4174.7-176.90000113.6V306 K307 D313 K314V306-S310 WeakPolarHBondContact O-CB 3.41Å; V306-S310 PolarHBondContact O-N 2.86Å; K307-S310 PolarHBondContact O-N 2.84Å; S310-D313 PolarHBondContact O-N 3.07Å; S310-K314 WeakPolarHBondContact O-CG 3.35Å; S310-K314 PolarHBondContact O-N 3.03Å; S310-K314 VanDerWaalsContact O-N 3.09Å
311E98.2Very high97.8Very high101 Ų10164 Ų6447%0.47232%0.315SS..Hα-helixtrans-67-39.8174.1-75.9173.1177.600111.6K307 R308 D313 K314 H315K307-E311 WeakPolarHBondContact CE-OE1 3.41Å; K307-E311 WeakPolarHBondContact O-CB 3.23Å; K307-E311 WeakPolarHBondContact O-CG 3.48Å; K307-E311 PolarHBondContact O-N 3.04Å; R308-E311 PolarHBondContact O-N 3.23Å; E311-D313 VanDerWaalsContact C-N 3.34Å; E311-K314 PolarHBondContact O-N 3.49Å; E311-H315 WeakPolarHBondContact O-CB 3.47Å; E311-H315 PolarHBondContact O-N 3.21Å
312L98.1Very high97.6Very high10 Ų1064.4 Ų64.45%0.05231%0.312CS..Hα-helixtrans-62.2-42.1172.6175.964.2000111.4R308 D309 H315 L316 I347 N349 L350 K359R308-L312 WeakPolarHBondContact O-CB 3.44Å; R308-L312 PolarHBondContact O-N 2.8Å; D309-L312 WeakPolarHBondContact O-CB 3.31Å; D309-L312 PolarHBondContact O-N 3.5Å; L312-H315 WeakPolarHBondContact O-CB 3.39Å; L312-H315 PolarHBondContact O-N 2.87Å; L312-L316 HydrophobicContact CD1-CD1 4.27Å; L312-L316 HydrophobicContact CD1-CG 4.22Å; L312-L316 HydrophobicContact CG-CD1 4.12Å; L312-L316 HydrophobicContact CG-CG 4.47Å; L312-L316 WeakPolarHBondContact O-CG 3.32Å; L312-L316 PolarHBondContact O-N 2.89Å; L312-I347 HydrophobicContact CD1-CG2 3.88Å; L312-N349 WeakPolarHBondContact CD2-O 3.22Å; L312-L350 HydrophobicContact CD1-CD2 4.38Å; L312-L350 HydrophobicContact CD2-CD2 4.31Å; L312-K359 HydrophobicContact CD2-CD 4.24Å; L312-K359 HydrophobicContact CD2-CG 4.11Å
313D98.2Very high97.3Very high35 Ų3563.1 Ų63.119%0.18730%0.302CS..Hα-helixtrans-58-55.2176.1-74.1-15.7000111.1D309 S310 E311 H315 L316 E317 K359 V362D309-D313 PolarHBondContact O-N 3.49Å; S310-D313 PolarHBondContact O-N 3.07Å; E311-D313 VanDerWaalsContact C-N 3.34Å; D313-H315 PolarHBondContact O-N 2.96Å; D313-H315 VanDerWaalsContact O-N 3.17Å; D313-L316 PolarHBondContact O-N 2.88Å; D313-E317 VanDerWaalsContact O-CG 3.28Å; D313-E317 WeakPolarHBondContact O-CG 3.33Å; D313-E317 PolarHBondContact O-N 3.43Å; D313-K359 WeakPolarHBondContact OD1-CE 3.47Å; D313-K359 IonicContact OD1-NZ 2.7Å; D313-K359 PolarHBondContact OD1-NZ 2.81Å; D313-K359 IonicContact OD2-NZ 3.11Å; D313-K359 PolarHBondContact OD2-NZ 2.86Å; D313-V362 HydrophobicContact CB-CG1 4.16Å; D313-V362 WeakPolarHBondContact OD1-CG2 3.29Å
314K98.1Very high97Very high122 Ų12255.7 Ų55.753%0.5327%0.268SS..Hα-helixtrans-55.9-37.6177.4-70.4170.5-176.6167.20112.5S310 E311 S318S310-K314 WeakPolarHBondContact O-CG 3.35Å; S310-K314 PolarHBondContact O-N 3.03Å; S310-K314 VanDerWaalsContact O-N 3.09Å; E311-K314 PolarHBondContact O-N 3.49Å; K314-S318 WeakPolarHBondContact O-CB 3.37Å; K314-S318 PolarHBondContact O-N 3.32Å; K314-S318 PolarHBondContact O-OG 2.96Å
315H97.9Very high96.5Very high79 Ų7956.7 Ų56.737%0.36627%0.272SS..Hα-helixtrans-62.9-50.7175.218068.1000111E311 L312 D313 E317 S318 R319E311-H315 WeakPolarHBondContact O-CB 3.47Å; E311-H315 PolarHBondContact O-N 3.21Å; L312-H315 WeakPolarHBondContact O-CB 3.39Å; L312-H315 PolarHBondContact O-N 2.87Å; D313-H315 PolarHBondContact O-N 2.96Å; D313-H315 VanDerWaalsContact O-N 3.17Å; H315-E317 PolarHBondContact O-N 2.99Å; H315-S318 PolarHBondContact O-N 3.47Å; H315-R319 VanDerWaalsContact O-CG 3.32Å; H315-R319 WeakPolarHBondContact O-CG 3.34Å; H315-R319 PolarHBondContact O-N 3.41Å
316L97.9Very high95.9Very high0 Ų063.4 Ų63.40%030%0.301CS..Hα-helixtrans-60.9-43.4177.5-69.8172000112.1L312 D313 S318 R319 V320 I347 L356 K359 I363L312-L316 HydrophobicContact CD1-CD1 4.27Å; L312-L316 HydrophobicContact CD1-CG 4.22Å; L312-L316 HydrophobicContact CG-CD1 4.12Å; L312-L316 HydrophobicContact CG-CG 4.47Å; L312-L316 WeakPolarHBondContact O-CG 3.32Å; L312-L316 PolarHBondContact O-N 2.89Å; D313-L316 PolarHBondContact O-N 2.88Å; L316-S318 PolarHBondContact O-N 3.14Å; L316-R319 PolarHBondContact O-N 3.32Å; L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.3Å; L316-V320 PolarHBondContact O-N 3.12Å; L316-I347 HydrophobicContact CD2-CD1 3.77Å; L316-I347 HydrophobicContact CD2-CG2 4.36Å; L316-L356 HydrophobicContact CD2-CD1 4.15Å; L316-K359 HydrophobicContact CD1-CB 3.57Å; L316-K359 HydrophobicContact CD1-CG 4.04Å; L316-I363 HydrophobicContact CB-CG1 4.45Å; L316-I363 HydrophobicContact CD1-CG1 4.43Å; L316-I363 HydrophobicContact CD2-CD1 4.43Å
317E97.7Very high94.7Very high64 Ų6461.9 Ų61.930%0.29929%0.293SS..Hα-helixtrans-55.3-50.8174.6-63.3-175.5154.800110.9D313 H315 R319 V320 E321 V362 V366D313-E317 VanDerWaalsContact O-CG 3.28Å; D313-E317 WeakPolarHBondContact O-CG 3.33Å; D313-E317 PolarHBondContact O-N 3.43Å; H315-E317 PolarHBondContact O-N 2.99Å; E317-R319 VanDerWaalsContact C-N 3.35Å; E317-R319 PolarHBondContact O-N 3.31Å; E317-V320 PolarHBondContact O-N 3.42Å; E317-E321 WeakPolarHBondContact O-CG 3.36Å; E317-E321 PolarHBondContact O-N 2.95Å; E317-V362 HydrophobicContact CG-CG1 4.31Å; E317-V366 HydrophobicContact CB-CG2 3.97Å; E317-V366 HydrophobicContact CG-CG2 3.55Å
318S97.1Very high92.9Very high57 Ų5758.2 Ų58.240%0.39929%0.292SS..Hα-helixtrans-61.5-41.5178.4-53.40000112K314 H315 L316 E321 E322K314-S318 WeakPolarHBondContact O-CB 3.37Å; K314-S318 PolarHBondContact O-N 3.32Å; K314-S318 PolarHBondContact O-OG 2.96Å; H315-S318 PolarHBondContact O-N 3.47Å; L316-S318 PolarHBondContact O-N 3.14Å; S318-E321 PolarHBondContact O-N 3.39Å; S318-E322 PolarHBondContact O-N 2.98Å
319R96.8Very high91.1Very high36 Ų3661.5 Ų61.514%0.13631%0.313CS..Hα-helixtrans-63.7-43.4177.8-69-53.3-56.5128.26.8111.6H315 L316 E317 E322 I323 L342 E345H315-R319 VanDerWaalsContact O-CG 3.32Å; H315-R319 WeakPolarHBondContact O-CG 3.34Å; H315-R319 PolarHBondContact O-N 3.41Å; L316-R319 PolarHBondContact O-N 3.32Å; E317-R319 VanDerWaalsContact C-N 3.35Å; E317-R319 PolarHBondContact O-N 3.31Å; R319-E322 IonicContact CZ-OE2 3.07Å; R319-E322 IonicContact NH1-OE1 3.41Å; R319-E322 PolarHBondContact NH1-OE1 3.46Å; R319-E322 VanDerWaalsContact NH1-OE1 3.11Å; R319-E322 IonicContact NH1-OE2 2.89Å; R319-E322 PolarHBondContact NH1-OE2 3.45Å; R319-E322 PolarHBondContact O-N 3.06Å; R319-I323 WeakPolarHBondContact O-CD1 3.4Å; R319-I323 VanDerWaalsContact O-CG1 3.25Å; R319-I323 WeakPolarHBondContact O-CG1 3.42Å; R319-I323 PolarHBondContact O-N 3.27Å; R319-L342 HydrophobicContact CB-CD2 3.73Å; R319-L342 HydrophobicContact CG-CD2 4.44Å; R319-E345 IonicContact CZ-OE1 3.58Å; R319-E345 IonicContact CZ-OE2 2.79Å; R319-E345 IonicContact NE-OE1 3.45Å; R319-E345 IonicContact NE-OE2 3.74Å; R319-E345 PolarHBondContact NE-OE2 3.06Å; R319-E345 IonicContact NH2-OE1 3.66Å; R319-E345 PolarHBondContact NH2-OE1 3.25Å; R319-E345 IonicContact NH2-OE2 2.6Å
320V96.3Very high89.5Confident0 Ų069.9 Ų69.90%035%0.351CS..Hα-helixtrans-61.9-45.7176.9173.70000110.3L316 E317 E322 I323 M324 V338 L342 I363 V366 L370L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.3Å; L316-V320 PolarHBondContact O-N 3.12Å; E317-V320 PolarHBondContact O-N 3.42Å; V320-E322 VanDerWaalsContact C-N 3.35Å; V320-E322 PolarHBondContact O-N 2.89Å; V320-I323 PolarHBondContact O-N 2.9Å; V320-M324 HydrophobicContact CG1-CG 4.21Å; V320-M324 WeakPolarHBondContact O-CB 3.49Å; V320-M324 WeakPolarHBondContact O-CG 3.48Å; V320-M324 PolarHBondContact O-N 3.34Å; V320-V338 HydrophobicContact CG1-CG1 4.44Å; V320-V338 HydrophobicContact CG2-CG1 4.18Å; V320-L342 HydrophobicContact CG2-CD1 4Å; V320-I363 HydrophobicContact CG2-CB 4.42Å; V320-I363 HydrophobicContact CG2-CG2 3.78Å; V320-V366 HydrophobicContact CB-CB 4.46Å; V320-V366 HydrophobicContact CB-CG1 3.98Å; V320-V366 HydrophobicContact CG1-CB 4.15Å; V320-V366 HydrophobicContact CG1-CG1 3.71Å; V320-L370 HydrophobicContact CG1-CD1 4.28Å
321E95.1Very high88.4Confident66 Ų6669.7 Ų69.731%0.30836%0.357SS..Hα-helixtrans-57.3-45.6176.1-75.2174.6-175.600112.1E317 S318 M324 Q325 V366 R369 L370E317-E321 WeakPolarHBondContact O-CG 3.36Å; E317-E321 PolarHBondContact O-N 2.95Å; S318-E321 PolarHBondContact O-N 3.39Å; E321-M324 PolarHBondContact O-N 3.47Å; E321-Q325 WeakPolarHBondContact O-CB 3.31Å; E321-Q325 VanDerWaalsContact O-CG 3.29Å; E321-Q325 WeakPolarHBondContact O-CG 3.1Å; E321-Q325 PolarHBondContact O-N 3.04Å; E321-V366 HydrophobicContact CG-CG1 4.35Å; E321-R369 IonicContact OE1-NH2 3.19Å; E321-R369 PolarHBondContact OE1-NH2 2.86Å; E321-L370 HydrophobicContact CB-CD1 4.43Å; E321-L370 HydrophobicContact CG-CD1 3.71Å; E321-L370 HydrophobicContact CG-CD2 4.41Å
322E94.6Very high87.5Confident78 Ų7870 Ų7036%0.36436%0.36SS..Hα-helixtrans-63.6-41.1176.7-78-172.9-12900113.5S318 R319 V320 Q325 K326S318-E322 PolarHBondContact O-N 2.98Å; R319-E322 IonicContact CZ-OE2 3.07Å; R319-E322 IonicContact NH1-OE1 3.41Å; R319-E322 PolarHBondContact NH1-OE1 3.46Å; R319-E322 VanDerWaalsContact NH1-OE1 3.11Å; R319-E322 IonicContact NH1-OE2 2.89Å; R319-E322 PolarHBondContact NH1-OE2 3.45Å; R319-E322 PolarHBondContact O-N 3.06Å; V320-E322 VanDerWaalsContact C-N 3.35Å; V320-E322 PolarHBondContact O-N 2.89Å; E322-Q325 PolarHBondContact O-N 3.18Å; E322-K326 WeakPolarHBondContact O-CG 3.21Å; E322-K326 PolarHBondContact O-N 2.88Å; E322-K326 VanDerWaalsContact O-N 3.07Å; E322-K326 IonicContact OE2-NZ 2.69Å
323I93.5Very high87.1Confident7 Ų770 Ų704%0.03636%0.361CS..Hα-helixtrans-63.2-47.4177.4-69.5164.3000109.6R319 V320 Q325 K326 S327 P333 V338 I341 L342R319-I323 WeakPolarHBondContact O-CD1 3.4Å; R319-I323 VanDerWaalsContact O-CG1 3.25Å; R319-I323 WeakPolarHBondContact O-CG1 3.42Å; R319-I323 PolarHBondContact O-N 3.27Å; V320-I323 PolarHBondContact O-N 2.9Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 3.4Å; I323-K326 PolarHBondContact O-N 3.03Å; I323-S327 PolarHBondContact O-N 2.92Å; I323-S327 PolarHBondContact O-OG 2.63Å; I323-P333 HydrophobicContact CG2-CG 4.4Å; I323-V338 HydrophobicContact CD1-CG1 4.36Å; I323-V338 HydrophobicContact CG2-CG2 4.06Å; I323-I341 HydrophobicContact CD1-CB 4.09Å; I323-I341 HydrophobicContact CD1-CG2 3.64Å; I323-I341 HydrophobicContact CG1-CG2 4.02Å; I323-I341 HydrophobicContact CG2-CD1 3.72Å; I323-L342 HydrophobicContact CD1-CD2 3.71Å; I323-L342 HydrophobicContact CD1-CG 3.91Å
324M90.3Very high86.8Confident9 Ų972 Ų724%0.04437%0.371CS..Hα-helixtrans-63.8-36.2-179.8-66.9-62.6-7200112.3V320 E321 M332 P333 V338 Y367 L370 N371V320-M324 HydrophobicContact CG1-CG 4.21Å; V320-M324 WeakPolarHBondContact O-CB 3.49Å; V320-M324 WeakPolarHBondContact O-CG 3.48Å; V320-M324 PolarHBondContact O-N 3.34Å; E321-M324 PolarHBondContact O-N 3.47Å; M324-M332 HydrophobicContact CE-SD 3.64Å; M324-P333 HydrophobicContact SD-CG 3.73Å; M324-V338 HydrophobicContact SD-CG2 3.98Å; M324-Y367 HydrophobicContact CE-CD2 4.08Å; M324-Y367 HydrophobicContact CE-CE2 3.75Å; M324-Y367 HydrophobicContact SD-CD2 3.73Å; M324-Y367 HydrophobicContact SD-CE2 3.59Å; M324-Y367 VanDerWaalsContact SD-CE2 3.59Å; M324-L370 HydrophobicContact CB-CD1 4.23Å; M324-L370 HydrophobicContact CG-CD1 4.01Å; M324-N371 HydrophobicContact CE-CB 4.04Å
325Q88.8Confident86.6Confident146 Ų14667.4 Ų67.468%0.68235%0.352SS*.Hα-helixtrans-69.3-45.9176.2-74.7174.212.500112.9E321 E322 I323 S327 G328E321-Q325 WeakPolarHBondContact O-CB 3.31Å; E321-Q325 VanDerWaalsContact O-CG 3.29Å; E321-Q325 WeakPolarHBondContact O-CG 3.1Å; E321-Q325 PolarHBondContact O-N 3.04Å; E322-Q325 PolarHBondContact O-N 3.18Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 3.4Å; Q325-S327 VanDerWaalsContact C-N 3.32Å; Q325-S327 PolarHBondContact O-N 3.33Å; Q325-G328 PolarHBondContact O-N 3.4Å
326K85.2Confident86.4Confident145 Ų14567 Ų6763%0.6336%0.363SS*.Hα-helixtrans-65.1-35.4-178.1-75.7173.5-178.31640112.7E322 I323 G328E322-K326 WeakPolarHBondContact O-CG 3.21Å; E322-K326 PolarHBondContact O-N 2.88Å; E322-K326 VanDerWaalsContact O-N 3.07Å; E322-K326 IonicContact OE2-NZ 2.69Å; I323-K326 PolarHBondContact O-N 3.03Å; K326-G328 VanDerWaalsContact C-N 3.27Å; K326-G328 PolarHBondContact O-N 3.33Å
327S72.4Confident86.1Confident25 Ų2570.4 Ų70.418%0.17538%0.378CS..G310 helixtrans-78.9-7.8178.9-64.10000113.8I323 Q325 E329 E330 G331 P333I323-S327 PolarHBondContact O-N 2.92Å; I323-S327 PolarHBondContact O-OG 2.63Å; Q325-S327 VanDerWaalsContact C-N 3.32Å; Q325-S327 PolarHBondContact O-N 3.33Å; S327-E329 PolarHBondContact O-N 2.79Å; S327-E330 PolarHBondContact O-N 3.06Å; S327-E330 VanDerWaalsContact O-N 3.09Å; S327-G331 CarbonylContact O-C 3.51Å; S327-G331 VanDerWaalsContact O-C 3.32Å; S327-G331 PolarHBondContact O-N 3Å; S327-P333 VanDerWaalsContact CB-CD 3.46Å
328G60.7Low86Confident52 Ų5267.3 Ų67.354%0.53636%0.364SS..G310 helixtrans-58.9-19.3177.500000114.7Q325 K326Q325-G328 PolarHBondContact O-N 3.4Å; K326-G328 VanDerWaalsContact C-N 3.27Å; K326-G328 PolarHBondContact O-N 3.33Å
329E60.3Low86Confident191 Ų19165.9 Ų65.989%0.89335%0.351SS*.G310 helixtrans-86.8-22.5177.6-62.8-176.1171.700113.7S327S327-E329 PolarHBondContact O-N 2.79Å
330E63.6Low86Confident193 Ų19370.9 Ų70.990%0.90237%0.37SS*.THydrogen-bonded Turntrans-115-2.8-177.9-69.4-175.5164.900113.8S327S327-E330 PolarHBondContact O-N 3.06Å; S327-E330 VanDerWaalsContact O-N 3.09Å
331G74.7Confident85.9Confident47 Ų4773 Ų7349%0.48538%0.381SS..  trans114.1140.5-177.800000112.3S327S327-G331 CarbonylContact O-C 3.51Å; S327-G331 VanDerWaalsContact O-C 3.32Å; S327-G331 PolarHBondContact O-N 3Å
332M80.8Confident86Confident109 Ų10970 Ų7054%0.53737%0.367SS..PPolyproline II helixtrans-63.5128.4-175.6-82-143.2-178.500112.1M324 N371M324-M332 HydrophobicContact CE-SD 3.64Å; M332-N371 HydrophobicContact SD-CB 4.47Å
333P89.1Confident86Confident10 Ų1070 Ų707%0.06538%0.376CS..PPolyproline II helixtrans-72.4147.9-177.329.4-29.5000109.8I323 M324 S327 H337 V338 Y367I323-P333 HydrophobicContact CG2-CG 4.4Å; M324-P333 HydrophobicContact SD-CG 3.73Å; S327-P333 VanDerWaalsContact CB-CD 3.46Å; P333-H337 HydrophobicContact CB-CB 4.05Å; P333-V338 HydrophobicContact CB-CG2 4.27Å; P333-V338 HydrophobicContact CG-CG2 3.98Å; P333-Y367 VanDerWaalsContact O-CE2 3.3Å; P333-Y367 WeakPolarHBondContact O-CE2 3.47Å; P333-Y367 PolarHBondContact O-OH 2.95Å
334D91.8Very high86.1Confident76 Ų7673.9 Ų73.941%0.40641%0.409SS..PPolyproline II helixtrans-75164.2167.967.926.4000111.7A336 H337 V338 Y367 K374D334-A336 PolarHBondContact O-N 2.86Å; D334-A336 WeakPolarHBondContact OD1-CB 3.15Å; D334-A336 PolarHBondContact OD1-N 2.82Å; D334-H337 WeakPolarHBondContact O-CB 3.39Å; D334-H337 PolarHBondContact O-N 2.9Å; D334-H337 VanDerWaalsContact O-N 3.09Å; D334-H337 VanDerWaalsContact OD1-CB 3.29Å; D334-H337 WeakPolarHBondContact OD1-CB 3.42Å; D334-H337 PolarHBondContact OD1-N 2.83Å; D334-V338 PolarHBondContact O-N 2.85Å; D334-Y367 WeakPolarHBondContact CA-OH 3.21Å; D334-K374 VanDerWaalsContact CB-NZ 3.3Å
335L93.5Very high86.3Confident25 Ų2576.2 Ų76.213%0.13142%0.42CS..Hα-helixtrans-58.6-34.9-179.9-18061.7000112H337 V338 M339 I363 E364 Y367L335-H337 VanDerWaalsContact C-N 3.31Å; L335-H337 PolarHBondContact O-N 3.37Å; L335-V338 PolarHBondContact O-N 3.48Å; L335-M339 HydrophobicContact CD1-CG 4.25Å; L335-M339 HydrophobicContact CG-CG 4.34Å; L335-M339 WeakPolarHBondContact O-CB 3.41Å; L335-M339 VanDerWaalsContact O-CG 3.25Å; L335-M339 WeakPolarHBondContact O-CG 3.29Å; L335-M339 PolarHBondContact O-N 2.82Å; L335-I363 HydrophobicContact CD1-CG2 4.2Å; L335-E364 HydrophobicContact CD2-CB 4.18Å; L335-E364 HydrophobicContact CD2-CG 3.82Å; L335-Y367 HydrophobicContact CB-CD1 4.11Å; L335-Y367 HydrophobicContact CB-CE1 4.06Å; L335-Y367 HydrophobicContact CB-CE2 4.48Å; L335-Y367 HydrophobicContact CB-CG 4.37Å; L335-Y367 HydrophobicContact CD1-CD1 4.28Å; L335-Y367 HydrophobicContact CD1-CD2 4.26Å; L335-Y367 HydrophobicContact CD1-CG 3.89Å
336A93.6Very high86.5Confident71 Ų7177.1 Ų77.159%0.58743%0.429SS*.Hα-helixtrans-63.8-39.2177.900000111.5D334 R340D334-A336 PolarHBondContact O-N 2.86Å; D334-A336 WeakPolarHBondContact OD1-CB 3.15Å; D334-A336 PolarHBondContact OD1-N 2.82Å; A336-R340 WeakPolarHBondContact O-CB 2.99Å; A336-R340 PolarHBondContact O-N 3.24Å
337H93.3Very high86.9Confident71 Ų7170.8 Ų70.833%0.32940%0.402SS..Hα-helixtrans-67.2-43.2174.9-166.1111000111.8P333 D334 L335 R340 I341P333-H337 HydrophobicContact CB-CB 4.05Å; D334-H337 WeakPolarHBondContact O-CB 3.39Å; D334-H337 PolarHBondContact O-N 2.9Å; D334-H337 VanDerWaalsContact O-N 3.09Å; D334-H337 VanDerWaalsContact OD1-CB 3.29Å; D334-H337 WeakPolarHBondContact OD1-CB 3.42Å; D334-H337 PolarHBondContact OD1-N 2.83Å; L335-H337 VanDerWaalsContact C-N 3.31Å; L335-H337 PolarHBondContact O-N 3.37Å; H337-R340 PolarHBondContact CE1-NH2 2.92Å; H337-R340 PolarHBondContact ND1-NH2 3.47Å; H337-R340 PolarHBondContact NE2-NH2 2.74Å; H337-R340 VanDerWaalsContact NE2-NH2 3.11Å; H337-R340 PolarHBondContact O-N 3.45Å; H337-I341 WeakPolarHBondContact O-CG1 3.49Å; H337-I341 PolarHBondContact O-N 2.92Å
338V95.6Very high87.9Confident0 Ų073.4 Ų73.40%042%0.418CS..Hα-helixtrans-59.4-49.2174.6175.30000110.6V320 I323 M324 P333 D334 L335 R340 I341 L342 I363 Y367V320-V338 HydrophobicContact CG1-CG1 4.44Å; V320-V338 HydrophobicContact CG2-CG1 4.18Å; I323-V338 HydrophobicContact CD1-CG1 4.36Å; I323-V338 HydrophobicContact CG2-CG2 4.06Å; M324-V338 HydrophobicContact SD-CG2 3.98Å; P333-V338 HydrophobicContact CB-CG2 4.27Å; P333-V338 HydrophobicContact CG-CG2 3.98Å; D334-V338 PolarHBondContact O-N 2.85Å; L335-V338 PolarHBondContact O-N 3.48Å; V338-R340 VanDerWaalsContact C-N 3.28Å; V338-R340 PolarHBondContact O-N 3.49Å; V338-I341 PolarHBondContact O-N 3.45Å; V338-L342 HydrophobicContact CG1-CD1 4.06Å; V338-L342 WeakPolarHBondContact O-CG 3.26Å; V338-L342 PolarHBondContact O-N 3.16Å; V338-I363 HydrophobicContact CG1-CG2 4.34Å; V338-Y367 HydrophobicContact CG2-CD2 3.96Å; V338-Y367 HydrophobicContact CG2-CE2 3.97Å
339M96.6Very high89.4Confident26 Ų2676.7 Ų76.713%0.12842%0.424CS..Hα-helixtrans-59.1-39.1176.8-71.1-62.4-62.700112.1L335 L342 S343 L356 R360 I363L335-M339 HydrophobicContact CD1-CG 4.25Å; L335-M339 HydrophobicContact CG-CG 4.34Å; L335-M339 WeakPolarHBondContact O-CB 3.41Å; L335-M339 VanDerWaalsContact O-CG 3.25Å; L335-M339 WeakPolarHBondContact O-CG 3.29Å; L335-M339 PolarHBondContact O-N 2.82Å; M339-L342 PolarHBondContact O-N 3.38Å; M339-S343 VanDerWaalsContact O-CB 3.29Å; M339-S343 WeakPolarHBondContact O-CB 3.08Å; M339-S343 PolarHBondContact O-N 2.86Å; M339-S343 PolarHBondContact O-OG 3.2Å; M339-L356 HydrophobicContact CE-CD2 3.78Å; M339-L356 HydrophobicContact CE-CG 3.85Å; M339-R360 HydrophobicContact CE-CB 4.2Å; M339-R360 HydrophobicContact CE-CG 4.26Å; M339-R360 HydrophobicContact SD-CG 4.32Å; M339-I363 HydrophobicContact CE-CD1 4.19Å; M339-I363 HydrophobicContact SD-CB 4.2Å; M339-I363 HydrophobicContact SD-CD1 3.69Å; M339-I363 HydrophobicContact SD-CG2 3.68Å
340R95.5Very high91.2Very high141 Ų14169.9 Ų69.953%0.53239%0.393SS..Hα-helixtrans-64.5-41.9176.9-175.1178.758.382.212.3112A336 H337 V338 S343 A344A336-R340 WeakPolarHBondContact O-CB 2.99Å; A336-R340 PolarHBondContact O-N 3.24Å; H337-R340 PolarHBondContact CE1-NH2 2.92Å; H337-R340 PolarHBondContact ND1-NH2 3.47Å; H337-R340 PolarHBondContact NE2-NH2 2.74Å; H337-R340 VanDerWaalsContact NE2-NH2 3.11Å; H337-R340 PolarHBondContact O-N 3.45Å; V338-R340 VanDerWaalsContact C-N 3.28Å; V338-R340 PolarHBondContact O-N 3.49Å; R340-S343 WeakPolarHBondContact CA-OG 3.34Å; R340-S343 PolarHBondContact O-N 3.34Å; R340-S343 PolarHBondContact O-OG 3.08Å; R340-A344 PolarHBondContact O-N 3.03Å
341I95.7Very high92.8Very high45 Ų4560.9 Ų60.923%0.23135%0.352CS..Hα-helixtrans-61.8-52.8174.9-67.2170000109.8I323 H337 V338 S343 A344 E345I323-I341 HydrophobicContact CD1-CB 4.09Å; I323-I341 HydrophobicContact CD1-CG2 3.64Å; I323-I341 HydrophobicContact CG1-CG2 4.02Å; I323-I341 HydrophobicContact CG2-CD1 3.72Å; H337-I341 WeakPolarHBondContact O-CG1 3.49Å; H337-I341 PolarHBondContact O-N 2.92Å; V338-I341 PolarHBondContact O-N 3.45Å; I341-S343 VanDerWaalsContact C-N 3.26Å; I341-S343 PolarHBondContact O-N 3.09Å; I341-A344 WeakPolarHBondContact O-CB 3.37Å; I341-A344 PolarHBondContact O-N 3.16Å; I341-E345 PolarHBondContact O-N 3.1Å
342L96.9Very high94Very high2 Ų261.3 Ų61.31%0.0135%0.346CS..Hα-helixtrans-59.5-36.7179.8-67.3174.3000112.4R319 V320 I323 V338 M339 A344 E345 I347 L356 I363R319-L342 HydrophobicContact CB-CD2 3.73Å; R319-L342 HydrophobicContact CG-CD2 4.44Å; V320-L342 HydrophobicContact CG2-CD1 4Å; I323-L342 HydrophobicContact CD1-CD2 3.71Å; I323-L342 HydrophobicContact CD1-CG 3.91Å; V338-L342 HydrophobicContact CG1-CD1 4.06Å; V338-L342 WeakPolarHBondContact O-CG 3.26Å; V338-L342 PolarHBondContact O-N 3.16Å; M339-L342 PolarHBondContact O-N 3.38Å; L342-A344 VanDerWaalsContact C-N 3.26Å; L342-A344 PolarHBondContact O-N 3.48Å; L342-E345 PolarHBondContact O-N 2.88Å; L342-I347 HydrophobicContact CB-CD1 4.15Å; L342-I347 HydrophobicContact CD2-CD1 4.05Å; L342-L356 HydrophobicContact CB-CD1 4.38Å; L342-L356 HydrophobicContact CB-CD2 3.76Å; L342-I363 HydrophobicContact CD1-CD1 3.8Å; L342-I363 HydrophobicContact CD1-CG1 4.05Å; L342-I363 HydrophobicContact CD1-CG2 3.87Å
343S94.7Very high94.7Very high80 Ų8057 Ų5756%0.55933%0.329SS*.Hα-helixtrans-68.7-23.5176.872.60000113.9M339 R340 I341M339-S343 VanDerWaalsContact O-CB 3.29Å; M339-S343 WeakPolarHBondContact O-CB 3.08Å; M339-S343 PolarHBondContact O-N 2.86Å; M339-S343 PolarHBondContact O-OG 3.2Å; R340-S343 WeakPolarHBondContact CA-OG 3.34Å; R340-S343 PolarHBondContact O-N 3.34Å; R340-S343 PolarHBondContact O-OG 3.08Å; I341-S343 VanDerWaalsContact C-N 3.26Å; I341-S343 PolarHBondContact O-N 3.09Å
344A94.9Very high95.1Very high88 Ų8856.5 Ų56.573%0.72733%0.326SS*.Hα-helixtrans-85-15.2175.100000112.1R340 I341 L342R340-A344 PolarHBondContact O-N 3.03Å; I341-A344 WeakPolarHBondContact O-CB 3.37Å; I341-A344 PolarHBondContact O-N 3.16Å; L342-A344 VanDerWaalsContact C-N 3.26Å; L342-A344 PolarHBondContact O-N 3.48Å
345E94.6Very high95.4Very high57 Ų5754.1 Ų54.127%0.26632%0.319SS..SBendtrans-81.3139.6172.8-65.1-180-167.300110R319 I341 L342 I347R319-E345 IonicContact CZ-OE1 3.58Å; R319-E345 IonicContact CZ-OE2 2.79Å; R319-E345 IonicContact NE-OE1 3.45Å; R319-E345 IonicContact NE-OE2 3.74Å; R319-E345 PolarHBondContact NE-OE2 3.06Å; R319-E345 IonicContact NH2-OE1 3.66Å; R319-E345 PolarHBondContact NH2-OE1 3.25Å; R319-E345 IonicContact NH2-OE2 2.6Å; I341-E345 PolarHBondContact O-N 3.1Å; L342-E345 PolarHBondContact O-N 2.88Å; E345-I347 HydrophobicContact CB-CD1 4.36Å; E345-I347 HydrophobicContact CB-CG1 3.87Å; E345-I347 PolarHBondContact O-N 3.47Å
346N92.2Very high95.6Very high165 Ų16554 Ų5488%0.88232%0.319SS*.  trans-82.771.1174.6-169.927.5000110.2P348N346-P348 WeakPolarHBondContact O-CD 3.48Å
347I95.1Very high95.8Very high12 Ų1251.4 Ų51.46%0.06230%0.297CS..  trans-73115.4-177.5-56.6176.3000109.1L312 L316 L342 E345 L350 L356L312-I347 HydrophobicContact CD1-CG2 3.88Å; L316-I347 HydrophobicContact CD2-CD1 3.77Å; L316-I347 HydrophobicContact CD2-CG2 4.36Å; L342-I347 HydrophobicContact CB-CD1 4.15Å; L342-I347 HydrophobicContact CD2-CD1 4.05Å; E345-I347 HydrophobicContact CB-CD1 4.36Å; E345-I347 HydrophobicContact CB-CG1 3.87Å; E345-I347 PolarHBondContact O-N 3.47Å; I347-L350 HydrophobicContact CB-CD1 4.33Å; I347-L350 HydrophobicContact CB-CG 4.39Å; I347-L350 HydrophobicContact CG2-CD2 4.25Å; I347-L350 HydrophobicContact CG2-CG 4.29Å; I347-L356 HydrophobicContact CD1-CD1 4.26Å
348P92.1Very high95.9Very high80 Ų8048.1 Ų48.152%0.51928%0.283SS..THydrogen-bonded Turntrans-73.7161.2-178.532-35.5000111.5N346 L350N346-P348 WeakPolarHBondContact O-CD 3.48Å; P348-L350 PolarHBondContact O-N 3.3Å
349N93.6Very high96.1Very high121 Ų12148.2 Ų48.265%0.64728%0.283SS*.THydrogen-bonded Turntrans63.517.7171-50.8-48.3000116.1L312L312-N349 WeakPolarHBondContact CD2-O 3.22Å
350L97.8Very high96.1Very high49 Ų4950.7 Ų50.726%0.25729%0.291SS..PPolyproline II helixtrans-55.3148.7168.8-70.2172000110.8L312 I347 P348 L356 K359L312-L350 HydrophobicContact CD1-CD2 4.38Å; L312-L350 HydrophobicContact CD2-CD2 4.31Å; I347-L350 HydrophobicContact CB-CD1 4.33Å; I347-L350 HydrophobicContact CB-CG 4.39Å; I347-L350 HydrophobicContact CG2-CD2 4.25Å; I347-L350 HydrophobicContact CG2-CG 4.29Å; P348-L350 PolarHBondContact O-N 3.3Å; L350-L356 HydrophobicContact CD1-CB 4.37Å; L350-L356 HydrophobicContact CD2-CD1 4.1Å; L350-K359 HydrophobicContact CD2-CG 4.39Å
351P97.8Very high96.1Very high4 Ų447.3 Ų47.33%0.02628%0.281CS..PPolyproline II helixtrans-55.7129.1178.5-24.733.7000111.2F257 G354 G355 K359F257-P351 HydrophobicContact CD2-CB 3.8Å; F257-P351 HydrophobicContact CE2-CB 3.67Å; F257-P351 HydrophobicContact CE2-CG 4.4Å; P351-G354 PolarHBondContact O-N 2.85Å; P351-G355 PolarHBondContact O-N 3.23Å; P351-K359 HydrophobicContact CG-CD 3.73Å; P351-K359 HydrophobicContact CG-CG 3.94Å
352P97.9Very high96.1Very high56 Ų5645.8 Ų45.836%0.36427%0.274SS..THydrogen-bonded Turntrans-61.6144.2178.229-36.2000110.3E256 F257 G354E256-P352 HydrophobicContact CB-CB 4Å; E256-P352 HydrophobicContact CB-CG 4.13Å; F257-P352 VanDerWaalsContact CA-O 3.25Å; F257-P352 WeakPolarHBondContact CA-O 3.48Å; F257-P352 VanDerWaalsContact CB-O 3.28Å; F257-P352 WeakPolarHBondContact CB-O 3.22Å; F257-P352 WeakPolarHBondContact CD2-O 3.49Å; F257-P352 PolarHBondContact N-O 3.24Å; P352-G354 PolarHBondContact O-N 2.81Å
353G96.6Very high96.2Very high17 Ų1745.7 Ų45.718%0.17527%0.273CS..THydrogen-bonded Turntrans69.8-44.4-171.300000114.8K282K282-G353 WeakPolarHBondContact CE-O 3.5Å; K282-G353 PolarHBondContact NZ-O 3.02Å
354G96.9Very high96.2Very high1 Ų145.3 Ų45.31%0.0126%0.263CS..THydrogen-bonded Turntrans-75.4-36.5-178.800000114.4P351 P352 A357 G358P351-G354 PolarHBondContact O-N 2.85Å; P352-G354 PolarHBondContact O-N 2.81Å; G354-A357 PolarHBondContact O-N 3.11Å; G354-G358 PolarHBondContact O-N 2.89Å
355G97.7Very high96.2Very high25 Ų2544.2 Ų44.226%0.25825%0.254SS..G310 helixtrans56.1-146.8-176.600000112.6P351 A357 G358P351-G355 PolarHBondContact O-N 3.23Å; G355-A357 VanDerWaalsContact C-N 3.27Å; G355-A357 PolarHBondContact O-N 2.95Å; G355-G358 PolarHBondContact O-N 2.8Å
356L97.6Very high96.3Very high23 Ų2341.6 Ų41.612%0.1224%0.242CC..G310 helixtrans-65.5-30.4179.2-167.267.2000112.6L316 M339 L342 I347 L350 G358 K359 R360 I363L316-L356 HydrophobicContact CD2-CD1 4.15Å; M339-L356 HydrophobicContact CE-CD2 3.78Å; M339-L356 HydrophobicContact CE-CG 3.85Å; L342-L356 HydrophobicContact CB-CD1 4.38Å; L342-L356 HydrophobicContact CB-CD2 3.76Å; I347-L356 HydrophobicContact CD1-CD1 4.26Å; L350-L356 HydrophobicContact CD1-CB 4.37Å; L350-L356 HydrophobicContact CD2-CD1 4.1Å; L356-G358 PolarHBondContact O-N 3.12Å; L356-K359 CarbonylContact O-C 3.6Å; L356-K359 PolarHBondContact O-N 3.04Å; L356-R360 PolarHBondContact O-N 2.97Å; L356-I363 HydrophobicContact CD1-CD1 3.66Å; L356-I363 HydrophobicContact CG-CD1 4.04Å
357A97.8Very high96.4Very high17 Ų1734.5 Ų34.514%0.1420%0.203CC..G310 helixtrans-60.3-35.6176.600000111.9T278 H281 K282 G354 G355 K359 R360T278-A357 HydrophobicContact CG2-CB 4.37Å; H281-A357 HydrophobicContact CB-CB 3.87Å; K282-A357 HydrophobicContact CG-CB 3.79Å; G354-A357 PolarHBondContact O-N 3.11Å; G355-A357 VanDerWaalsContact C-N 3.27Å; G355-A357 PolarHBondContact O-N 2.95Å; A357-K359 PolarHBondContact O-N 3.34Å; A357-R360 WeakPolarHBondContact O-CB 3.47Å; A357-R360 PolarHBondContact O-N 3.07Å
358G97.3Very high96.3Very high2 Ų236 Ų362%0.02122%0.215CC..G310 helixtrans-66.4-14.7175.300000114.9T278 G354 G355 L356T278-G358 WeakPolarHBondContact OG1-CA 3.41Å; G354-G358 PolarHBondContact O-N 2.89Å; G355-G358 PolarHBondContact O-N 2.8Å; L356-G358 PolarHBondContact O-N 3.12Å
359K97.9Very high96.4Very high2 Ų239 Ų391%0.00922%0.215CC..G310 helixtrans-115.28.4177.1-56-60.7-68.3178.10113.1D309 L312 D313 L316 L350 P351 L356 A357 H361 V362 I363D309-K359 IonicContact OD1-NZ 3.53Å; D309-K359 IonicContact OD2-NZ 3.77Å; D309-K359 PolarHBondContact OD2-NZ 2.88Å; L312-K359 HydrophobicContact CD2-CD 4.24Å; L312-K359 HydrophobicContact CD2-CG 4.11Å; D313-K359 WeakPolarHBondContact OD1-CE 3.47Å; D313-K359 IonicContact OD1-NZ 2.7Å; D313-K359 PolarHBondContact OD1-NZ 2.81Å; D313-K359 IonicContact OD2-NZ 3.11Å; D313-K359 PolarHBondContact OD2-NZ 2.86Å; L316-K359 HydrophobicContact CD1-CB 3.57Å; L316-K359 HydrophobicContact CD1-CG 4.04Å; L350-K359 HydrophobicContact CD2-CG 4.39Å; P351-K359 HydrophobicContact CG-CD 3.73Å; P351-K359 HydrophobicContact CG-CG 3.94Å; L356-K359 CarbonylContact O-C 3.6Å; L356-K359 PolarHBondContact O-N 3.04Å; A357-K359 PolarHBondContact O-N 3.34Å; K359-H361 VanDerWaalsContact C-N 3.29Å; K359-H361 PolarHBondContact O-N 3.18Å; K359-V362 WeakPolarHBondContact O-CB 3.3Å; K359-V362 PolarHBondContact O-N 3.15Å; K359-V362 VanDerWaalsContact O-N 3.1Å; K359-I363 PolarHBondContact O-N 3.1Å
360R97.4Very high96.3Very high77 Ų7736.1 Ų36.129%0.29120%0.2SC..Hα-helixtrans-59.4-36.4-178.3176160.4167.3173.25.6113.4H281 M339 L356 A357 V362 I363 E364H281-R360 HydrophobicContact CB-CB 4.45Å; H281-R360 WeakPolarHBondContact CD2-CD 3.43Å; H281-R360 PolarHBondContact CD2-NE 3.17Å; M339-R360 HydrophobicContact CE-CB 4.2Å; M339-R360 HydrophobicContact CE-CG 4.26Å; M339-R360 HydrophobicContact SD-CG 4.32Å; L356-R360 PolarHBondContact O-N 2.97Å; A357-R360 WeakPolarHBondContact O-CB 3.47Å; A357-R360 PolarHBondContact O-N 3.07Å; R360-V362 VanDerWaalsContact C-N 3.26Å; R360-V362 PolarHBondContact O-N 2.93Å; R360-I363 PolarHBondContact O-N 2.88Å; R360-E364 IonicContact NE-OE2 3.52Å; R360-E364 VanDerWaalsContact O-CB 3.27Å; R360-E364 WeakPolarHBondContact O-CB 3.33Å; R360-E364 PolarHBondContact O-N 2.82Å
361H95.4Very high95.8Very high70 Ų7035.1 Ų35.132%0.32420%0.195SC..Hα-helixtrans-59.2-36.717766.8-83.7000112.7W274 K359 A365W274-H361 AromaticContact NE1-CE1 3.94Å; W274-H361 AromaticContact NE1-NE2 3.99Å; K359-H361 VanDerWaalsContact C-N 3.29Å; K359-H361 PolarHBondContact O-N 3.18Å; H361-A365 VanDerWaalsContact O-CB 3.31Å; H361-A365 WeakPolarHBondContact O-CB 3.39Å; H361-A365 PolarHBondContact O-N 3.25Å
362V96.8Very high94.9Very high14 Ų1438.7 Ų38.79%0.08522%0.218CC..Hα-helixtrans-67.3-47.9175.8-177.20000110.2D313 E317 K359 R360 E364 A365 V366D313-V362 HydrophobicContact CB-CG1 4.16Å; D313-V362 WeakPolarHBondContact OD1-CG2 3.29Å; E317-V362 HydrophobicContact CG-CG1 4.31Å; K359-V362 WeakPolarHBondContact O-CB 3.3Å; K359-V362 PolarHBondContact O-N 3.15Å; K359-V362 VanDerWaalsContact O-N 3.1Å; R360-V362 VanDerWaalsContact C-N 3.26Å; R360-V362 PolarHBondContact O-N 2.93Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3.12Å; V362-A365 PolarHBondContact O-N 3.49Å; V362-V366 WeakPolarHBondContact O-CG2 3.36Å; V362-V366 PolarHBondContact O-N 3.49Å
363I97.6Very high93.4Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-60.7-45.1179.5-62.6163.6000110.7L316 V320 L335 V338 M339 L342 L356 K359 R360 V366 Y367L316-I363 HydrophobicContact CB-CG1 4.45Å; L316-I363 HydrophobicContact CD1-CG1 4.43Å; L316-I363 HydrophobicContact CD2-CD1 4.43Å; V320-I363 HydrophobicContact CG2-CB 4.42Å; V320-I363 HydrophobicContact CG2-CG2 3.78Å; L335-I363 HydrophobicContact CD1-CG2 4.2Å; V338-I363 HydrophobicContact CG1-CG2 4.34Å; M339-I363 HydrophobicContact CE-CD1 4.19Å; M339-I363 HydrophobicContact SD-CB 4.2Å; M339-I363 HydrophobicContact SD-CD1 3.69Å; M339-I363 HydrophobicContact SD-CG2 3.68Å; L342-I363 HydrophobicContact CD1-CD1 3.8Å; L342-I363 HydrophobicContact CD1-CG1 4.05Å; L342-I363 HydrophobicContact CD1-CG2 3.87Å; L356-I363 HydrophobicContact CD1-CD1 3.66Å; L356-I363 HydrophobicContact CG-CD1 4.04Å; K359-I363 PolarHBondContact O-N 3.1Å; R360-I363 PolarHBondContact O-N 2.88Å; I363-V366 PolarHBondContact O-N 3.37Å; I363-Y367 WeakPolarHBondContact O-CB 3.42Å; I363-Y367 PolarHBondContact O-N 3.1Å
364E95.8Very high91.7Very high71 Ų7146.7 Ų46.733%0.33224%0.244SC..Hα-helixtrans-67.6-41.5-179.5-174.6160.9-17500112L335 R360 V362 V366 Y367 S368L335-E364 HydrophobicContact CD2-CB 4.18Å; L335-E364 HydrophobicContact CD2-CG 3.82Å; R360-E364 IonicContact NE-OE2 3.52Å; R360-E364 VanDerWaalsContact O-CB 3.27Å; R360-E364 WeakPolarHBondContact O-CB 3.33Å; R360-E364 PolarHBondContact O-N 2.82Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3.12Å; E364-V366 VanDerWaalsContact C-N 3.31Å; E364-V366 PolarHBondContact O-N 3.14Å; E364-Y367 PolarHBondContact O-N 3.36Å; E364-S368 WeakPolarHBondContact O-CB 3.32Å; E364-S368 PolarHBondContact O-N 2.91Å; E364-S368 PolarHBondContact O-OG 3.22Å
365A95.1Very high89.4Confident66 Ų6652.8 Ų52.855%0.54528%0.277SS..Hα-helixtrans-58.9-42.2175.600000112.4H361 V362 R369H361-A365 VanDerWaalsContact O-CB 3.31Å; H361-A365 WeakPolarHBondContact O-CB 3.39Å; H361-A365 PolarHBondContact O-N 3.25Å; V362-A365 PolarHBondContact O-N 3.49Å; A365-R369 WeakPolarHBondContact O-CB 3.44Å; A365-R369 PolarHBondContact O-N 2.98Å; A365-R369 VanDerWaalsContact O-N 3.12Å
366V95.8Very high86.5Confident2 Ų257.2 Ų57.21%0.01229%0.294CS..Hα-helixtrans-69-45.5176-1790000110.8E317 V320 E321 V362 I363 E364 S368 R369 L370E317-V366 HydrophobicContact CB-CG2 3.97Å; E317-V366 HydrophobicContact CG-CG2 3.55Å; V320-V366 HydrophobicContact CB-CB 4.46Å; V320-V366 HydrophobicContact CB-CG1 3.98Å; V320-V366 HydrophobicContact CG1-CB 4.15Å; V320-V366 HydrophobicContact CG1-CG1 3.71Å; E321-V366 HydrophobicContact CG-CG1 4.35Å; V362-V366 WeakPolarHBondContact O-CG2 3.36Å; V362-V366 PolarHBondContact O-N 3.49Å; I363-V366 PolarHBondContact O-N 3.37Å; E364-V366 VanDerWaalsContact C-N 3.31Å; E364-V366 PolarHBondContact O-N 3.14Å; V366-S368 VanDerWaalsContact C-N 3.35Å; V366-S368 PolarHBondContact O-N 3.11Å; V366-R369 WeakPolarHBondContact O-CB 3.45Å; V366-R369 PolarHBondContact O-N 2.87Å; V366-L370 HydrophobicContact CG1-CD1 3.81Å; V366-L370 HydrophobicContact CG1-CG 4.34Å; V366-L370 WeakPolarHBondContact O-CG 3.49Å; V366-L370 PolarHBondContact O-N 3Å
367Y94.8Very high83.7Confident15 Ų1562 Ų626%0.05932%0.32CS..Hα-helixtrans-56-48.9178.1180-91.2000111.4M324 P333 D334 L335 V338 I363 E364 R369 L370 N371M324-Y367 HydrophobicContact CE-CD2 4.08Å; M324-Y367 HydrophobicContact CE-CE2 3.75Å; M324-Y367 HydrophobicContact SD-CD2 3.73Å; M324-Y367 HydrophobicContact SD-CE2 3.59Å; M324-Y367 VanDerWaalsContact SD-CE2 3.59Å; P333-Y367 VanDerWaalsContact O-CE2 3.3Å; P333-Y367 WeakPolarHBondContact O-CE2 3.47Å; P333-Y367 PolarHBondContact O-OH 2.95Å; D334-Y367 WeakPolarHBondContact CA-OH 3.21Å; L335-Y367 HydrophobicContact CB-CD1 4.11Å; L335-Y367 HydrophobicContact CB-CE1 4.06Å; L335-Y367 HydrophobicContact CB-CE2 4.48Å; L335-Y367 HydrophobicContact CB-CG 4.37Å; L335-Y367 HydrophobicContact CD1-CD1 4.28Å; L335-Y367 HydrophobicContact CD1-CD2 4.26Å; L335-Y367 HydrophobicContact CD1-CG 3.89Å; V338-Y367 HydrophobicContact CG2-CD2 3.96Å; V338-Y367 HydrophobicContact CG2-CE2 3.97Å; I363-Y367 WeakPolarHBondContact O-CB 3.42Å; I363-Y367 PolarHBondContact O-N 3.1Å; E364-Y367 PolarHBondContact O-N 3.36Å; Y367-R369 VanDerWaalsContact C-N 3.34Å; Y367-R369 PolarHBondContact O-N 3.38Å; Y367-L370 CarbonylContact O-C 3.6Å; Y367-L370 PolarHBondContact O-N 3.33Å; Y367-N371 HydrophobicContact CE1-CB 4.3Å; Y367-N371 WeakPolarHBondContact O-CB 3.29Å; Y367-N371 PolarHBondContact O-N 2.64Å; Y367-N371 PolarHBondContact OH-ND2 2.89Å; Y367-N371 VanDerWaalsContact OH-ND2 3.08Å
368S93.3Very high80.9Confident45 Ų4565 Ų6532%0.31535%0.353SS..Hα-helixtrans-65.5-35.5179-60.70000112.5E364 V366 L370 N371 P372E364-S368 WeakPolarHBondContact O-CB 3.32Å; E364-S368 PolarHBondContact O-N 2.91Å; E364-S368 PolarHBondContact O-OG 3.22Å; V366-S368 VanDerWaalsContact C-N 3.35Å; V366-S368 PolarHBondContact O-N 3.11Å; S368-L370 VanDerWaalsContact C-N 3.32Å; S368-L370 PolarHBondContact O-N 2.85Å; S368-N371 CarbonylContact O-C 3.35Å; S368-N371 PolarHBondContact O-N 3.11Å; S368-P372 WeakPolarHBondContact O-CA 3.21Å
369R94Very high78Confident142 Ų14268.8 Ų68.854%0.53638%0.384SS..Hα-helixtrans-62.5-38.8173.1-178.7178.170-1604.4112.2E321 A365 V366 Y367E321-R369 IonicContact OE1-NH2 3.19Å; E321-R369 PolarHBondContact OE1-NH2 2.86Å; A365-R369 WeakPolarHBondContact O-CB 3.44Å; A365-R369 PolarHBondContact O-N 2.98Å; A365-R369 VanDerWaalsContact O-N 3.12Å; V366-R369 WeakPolarHBondContact O-CB 3.45Å; V366-R369 PolarHBondContact O-N 2.87Å; Y367-R369 VanDerWaalsContact C-N 3.34Å; Y367-R369 PolarHBondContact O-N 3.38Å
370L90.8Very high74.8Confident61 Ų6172.5 Ų72.532%0.31941%0.41SS..Hα-helixtrans-84.2-20.5-179.4-63.3173.3000113.1V320 E321 M324 V366 Y367 S368 P372V320-L370 HydrophobicContact CG1-CD1 4.28Å; E321-L370 HydrophobicContact CB-CD1 4.43Å; E321-L370 HydrophobicContact CG-CD1 3.71Å; E321-L370 HydrophobicContact CG-CD2 4.41Å; M324-L370 HydrophobicContact CB-CD1 4.23Å; M324-L370 HydrophobicContact CG-CD1 4.01Å; V366-L370 HydrophobicContact CG1-CD1 3.81Å; V366-L370 HydrophobicContact CG1-CG 4.34Å; V366-L370 WeakPolarHBondContact O-CG 3.49Å; V366-L370 PolarHBondContact O-N 3Å; Y367-L370 CarbonylContact O-C 3.6Å; Y367-L370 PolarHBondContact O-N 3.33Å; S368-L370 VanDerWaalsContact C-N 3.32Å; S368-L370 PolarHBondContact O-N 2.85Å; L370-P372 VanDerWaalsContact C-CD 3.48Å
371N87.6Confident71.6Confident28 Ų2876.1 Ų76.115%0.1544%0.435CS..  trans-13260.8-179.9-167.817000112.8M324 M332 Y367 S368 H373M324-N371 HydrophobicContact CE-CB 4.04Å; M332-N371 HydrophobicContact SD-CB 4.47Å; Y367-N371 HydrophobicContact CE1-CB 4.3Å; Y367-N371 WeakPolarHBondContact O-CB 3.29Å; Y367-N371 PolarHBondContact O-N 2.64Å; Y367-N371 PolarHBondContact OH-ND2 2.89Å; Y367-N371 VanDerWaalsContact OH-ND2 3.08Å; S368-N371 CarbonylContact O-C 3.35Å; S368-N371 PolarHBondContact O-N 3.11Å; N371-H373 VanDerWaalsContact C-N 3.26Å; N371-H373 PolarHBondContact O-N 2.59Å
372P78.1Confident69Low79 Ų7982.7 Ų82.751%0.51347%0.466SS..THydrogen-bonded Turntrans-72-14.7-170.328.9-36.3000114.5S368 L370S368-P372 WeakPolarHBondContact O-CA 3.21Å; L370-P372 VanDerWaalsContact C-CD 3.48Å
373H66.7Low65.9Low147 Ų14786.3 Ų86.368%0.68150%0.497SS*.THydrogen-bonded Turntrans-87.8-10.9-174.3-67.2-59.4000114.3N371 D375 N376N371-H373 VanDerWaalsContact C-N 3.26Å; N371-H373 PolarHBondContact O-N 2.59Å; H373-D375 VanDerWaalsContact C-N 3.33Å; H373-D375 PolarHBondContact O-N 2.84Å; H373-N376 PolarHBondContact O-N 2.71Å
374K61.2Low63.1Low94 Ų9495.7 Ų95.741%0.40954%0.541SS..THydrogen-bonded Turntrans-76.4-18.3-174.9-159.9169.2-178.2173.50114.3D334 N376D334-K374 VanDerWaalsContact CB-NZ 3.3Å; K374-N376 PolarHBondContact O-N 2.92Å
375D48.1Very low60.1Low129 Ų129101.6 Ų101.669%0.6957%0.568SS**THydrogen-bonded Turntrans-73.8-11.4173.4-73.5-35.2000112.9H373H373-D375 VanDerWaalsContact C-N 3.33Å; H373-D375 PolarHBondContact O-N 2.84Å
376N37.9Very low57.4Low118 Ų118102.8 Ų102.863%0.63159%0.587SS**SBendtrans-98-13.8-178.9-135.429.9000114H373 K374 G378 A379H373-N376 PolarHBondContact O-N 2.71Å; K374-N376 PolarHBondContact O-N 2.92Å; N376-G378 PolarHBondContact O-N 3.01Å; N376-A379 PolarHBondContact O-N 3.14Å; N376-A379 VanDerWaalsContact O-N 3.12Å
377D38.3Very low54.5Low124 Ų124105.1 Ų105.166%0.66361%0.611SS**THydrogen-bonded Turntrans-79.65.2177.9-69.3-23.4000113.1
378G38.2Very low52Low80 Ų80109.7 Ų109.783%0.82565%0.645SS**THydrogen-bonded Turntrans-91.1-1.6164.300000113.7N376N376-G378 PolarHBondContact O-N 3.01Å
379A36.5Very low49.5Very low81 Ų81115.4 Ų115.467%0.66967%0.667SS**SBendtrans-137.356.1179.800000110.5N376N376-A379 PolarHBondContact O-N 3.14Å; N376-A379 VanDerWaalsContact O-N 3.12Å
380S31.8Very low46.9Very low79 Ų79111.1 Ų111.155%0.55267%0.667SS**SBendtrans-140.710716461.40000109.8
381D30.9Very low44.6Very low153 Ų153116.8 Ų116.882%0.81869%0.689SS**  trans41.9114.7150.2-62.1-28.4000118.8A383D381-A383 VanDerWaalsContact C-N 3.3Å; D381-A383 PolarHBondContact O-N 2.79Å
382E39Very low42.6Very low209 Ų209120.9 Ų120.998%0.97771%0.71SS**  trans-46.795.7148.6-66.2-178.2158.200109.7
383A31.6Very low41.5Very low89 Ų89121.8 Ų121.874%0.73671%0.714SS**  trans-118.7115.1161.500000107.6D381 E385D381-A383 VanDerWaalsContact C-N 3.3Å; D381-A383 PolarHBondContact O-N 2.79Å; A383-E385 PolarHBondContact O-N 3.45Å
384E40.4Very low40.7Very low197 Ų197118.7 Ų118.792%0.92170%0.7SS**  trans-45.5120.5175.6-62.4178.4136.500112.1
385E32.9Very low40.3Very low196 Ų196116.6 Ų116.692%0.91670%0.7SS**  trans-148.6104.1143.5-115.8176.9-164.900109.8A383A383-E385 PolarHBondContact O-N 3.45Å
386G37.4Very low40.5Very low90 Ų90113.9 Ų113.993%0.92869%0.685SS**  trans-71.9128.6-176.500000112.8
387G34.3Very low41.5Very low51 Ų51116.1 Ų116.153%0.52669%0.685SS.*  trans-125126164.300000110.6Q389 G390G387-Q389 PolarHBondContact O-N 3.06Å; G387-G390 PolarHBondContact O-N 3.14Å
388S42.9Very low42Very low111 Ų111115.6 Ų115.678%0.77668%0.678SS**Hα-helixtrans-45-21.5175.7174.60000114.9
389Q40.5Very low42.6Very low166 Ų166115.3 Ų115.378%0.77666%0.656SS**Hα-helixtrans-69.7-34.2175.7-75.7-173.5-28.100114.6G387 K391 L392 V393G387-Q389 PolarHBondContact O-N 3.06Å; Q389-K391 PolarHBondContact O-N 2.82Å; Q389-L392 PolarHBondContact O-N 3.09Å; Q389-V393 WeakPolarHBondContact O-CG2 3.4Å; Q389-V393 PolarHBondContact O-N 3.45Å; Q389-V393 VanDerWaalsContact O-N 3.12Å
390G40.1Very low43.2Very low51 Ų51120.7 Ų120.753%0.52666%0.659SS.*Hα-helixtrans-66.7-37.9-178.200000112.7G387 V393 E394G387-G390 PolarHBondContact O-N 3.14Å; G390-V393 PolarHBondContact O-N 3.27Å; G390-E394 PolarHBondContact O-N 3.22Å; G390-E394 VanDerWaalsContact O-N 3.13Å
391K43.4Very low44.3Very low181 Ų181122 Ų12279%0.78766%0.664SS**Hα-helixtrans-69.4-33.6176.9-67.1-174.3179-179.60112.4Q389 A395Q389-K391 PolarHBondContact O-N 2.82Å; K391-A395 VanDerWaalsContact O-CB 3.26Å; K391-A395 WeakPolarHBondContact O-CB 3.5Å; K391-A395 PolarHBondContact O-N 3.47Å
392L45.4Very low45.1Very low114 Ų114120.1 Ų120.160%0.59765%0.654SS**Hα-helixtrans-71.4-40.5177.6-16279.4000111.7Q389 A395 L396Q389-L392 PolarHBondContact O-N 3.09Å; L392-A395 PolarHBondContact O-N 3.17Å; L392-L396 HydrophobicContact CD2-CD1 4.49Å; L392-L396 HydrophobicContact CG-CD1 4.22Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 WeakPolarHBondContact O-CD1 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.31Å; L392-L396 PolarHBondContact O-N 2.88Å
393V53.3Low45.9Very low97 Ų97115.5 Ų115.559%0.58863%0.632SS**Hα-helixtrans-65.2-42.4177.6173.30000110.7Q389 G390 L396 R397Q389-V393 WeakPolarHBondContact O-CG2 3.4Å; Q389-V393 PolarHBondContact O-N 3.45Å; Q389-V393 VanDerWaalsContact O-N 3.12Å; G390-V393 PolarHBondContact O-N 3.27Å; V393-L396 PolarHBondContact O-N 3.05Å; V393-R397 VanDerWaalsContact O-CB 3.29Å; V393-R397 WeakPolarHBondContact O-CB 3.27Å; V393-R397 PolarHBondContact O-N 2.89Å
394E51Low47Very low83 Ų83123 Ų12339%0.38864%0.641SS.*Hα-helixtrans-71-37178.2-167.655.5-153.300112.3G390 R397 Q398G390-E394 PolarHBondContact O-N 3.22Å; G390-E394 VanDerWaalsContact O-N 3.13Å; E394-R397 WeakPolarHBondContact O-CB 3.29Å; E394-R397 PolarHBondContact O-N 2.6Å; E394-R397 WeakPolarHBondContact OE2-CD 3.33Å; E394-R397 IonicContact OE2-NH1 2.68Å; E394-Q398 WeakPolarHBondContact O-CG 3.44Å; E394-Q398 PolarHBondContact O-N 2.95Å
395A51.6Low47.7Very low50 Ų50117.2 Ų117.241%0.41364%0.635SS.*Hα-helixtrans-64.3-40.4172.600000112.5K391 L392 R397 Q398 M399K391-A395 VanDerWaalsContact O-CB 3.26Å; K391-A395 WeakPolarHBondContact O-CB 3.5Å; K391-A395 PolarHBondContact O-N 3.47Å; L392-A395 PolarHBondContact O-N 3.17Å; A395-R397 VanDerWaalsContact C-N 3.33Å; A395-Q398 PolarHBondContact O-N 3.04Å; A395-M399 PolarHBondContact O-N 3.42Å
396L53.6Low48.7Very low71 Ų71112.9 Ų112.937%0.37262%0.618SS.*Hα-helixtrans-67.8-34.4174.4-73.8168.1000111.8L392 V393 R400L392-L396 HydrophobicContact CD2-CD1 4.49Å; L392-L396 HydrophobicContact CG-CD1 4.22Å; L392-L396 WeakPolarHBondContact O-CB 3.29Å; L392-L396 WeakPolarHBondContact O-CD1 3.26Å; L392-L396 WeakPolarHBondContact O-CG 3.31Å; L392-L396 PolarHBondContact O-N 2.88Å; V393-L396 PolarHBondContact O-N 3.05Å; L396-R400 WeakPolarHBondContact O-CB 3.41Å; L396-R400 PolarHBondContact O-N 3.06Å
397R58Low49.5Very low166 Ų166113.4 Ų113.463%0.62659%0.593SS**Hα-helixtrans-66.4-46.5174.9-161.7179.7-171.6-175.20.6110.8V393 E394 A395 R400 V401V393-R397 VanDerWaalsContact O-CB 3.29Å; V393-R397 WeakPolarHBondContact O-CB 3.27Å; V393-R397 PolarHBondContact O-N 2.89Å; E394-R397 WeakPolarHBondContact O-CB 3.29Å; E394-R397 PolarHBondContact O-N 2.6Å; E394-R397 WeakPolarHBondContact OE2-CD 3.33Å; E394-R397 IonicContact OE2-NH1 2.68Å; A395-R397 VanDerWaalsContact C-N 3.33Å; R397-R400 PolarHBondContact O-N 2.68Å; R397-V401 WeakPolarHBondContact O-CG2 3.42Å; R397-V401 PolarHBondContact O-N 2.72Å; R397-V401 VanDerWaalsContact O-N 3.14Å
398Q50.3Low50.5Low113 Ų113120.5 Ų120.553%0.52860%0.604SS.*Hα-helixtrans-66.3-38.8176.4-72.1-1663.100113E394 A395 R400 V401 N402E394-Q398 WeakPolarHBondContact O-CG 3.44Å; E394-Q398 PolarHBondContact O-N 2.95Å; A395-Q398 PolarHBondContact O-N 3.04Å; Q398-R400 VanDerWaalsContact C-N 3.33Å; Q398-R400 PolarHBondContact O-N 3.26Å; Q398-V401 PolarHBondContact O-N 3.39Å; Q398-N402 WeakPolarHBondContact O-CB 3.32Å; Q398-N402 PolarHBondContact O-N 2.83Å; Q398-N402 VanDerWaalsContact O-N 3.11Å; Q398-N402 PolarHBondContact O-ND2 3.36Å
399M49.1Very low51.2Low74 Ų74120.5 Ų120.537%0.36559%0.591SS.*Hα-helixtrans-62.1-39.3172.9-86.7-164.8-164.100112.7A395 V401 N402 H403 M414A395-M399 PolarHBondContact O-N 3.42Å; M399-V401 VanDerWaalsContact C-N 3.32Å; M399-V401 PolarHBondContact O-N 3.31Å; M399-N402 PolarHBondContact O-N 2.8Å; M399-H403 PolarHBondContact O-N 3.2Å; M399-M414 HydrophobicContact CE-SD 3.98Å; M399-M414 HydrophobicContact SD-SD 4.36Å
400R51Low51.9Low193 Ų193115.9 Ų115.973%0.72857%0.572SS**Hα-helixtrans-69-31.7-179.4-160.9178.4-156.9175.55.1112.5L396 R397 Q398L396-R400 WeakPolarHBondContact O-CB 3.41Å; L396-R400 PolarHBondContact O-N 3.06Å; R397-R400 PolarHBondContact O-N 2.68Å; Q398-R400 VanDerWaalsContact C-N 3.33Å; Q398-R400 PolarHBondContact O-N 3.26Å
401V53.9Low52.8Low107 Ų107116.1 Ų116.165%0.64856%0.561SS**Hα-helixtrans-74.6-37.5176.3172.90000111.2R397 Q398 M399R397-V401 WeakPolarHBondContact O-CG2 3.42Å; R397-V401 PolarHBondContact O-N 2.72Å; R397-V401 VanDerWaalsContact O-N 3.14Å; Q398-V401 PolarHBondContact O-N 3.39Å; M399-V401 VanDerWaalsContact C-N 3.32Å; M399-V401 PolarHBondContact O-N 3.31Å
402N48.7Very low53.7Low113 Ų113113 Ų11360%0.60455%0.549SS*.Hα-helixtrans-87.3-19.7-171.9-70.3-16.9000115.3Q398 M399Q398-N402 WeakPolarHBondContact O-CB 3.32Å; Q398-N402 PolarHBondContact O-N 2.83Å; Q398-N402 VanDerWaalsContact O-N 3.11Å; Q398-N402 PolarHBondContact O-ND2 3.36Å; M399-N402 PolarHBondContact O-N 2.8Å
403H55.7Low54.7Low113 Ų113113 Ų11352%0.52355%0.546SS..  trans-121.683.8-177.3-66.2-64000112.9M399 G405M399-H403 PolarHBondContact O-N 3.2Å; H403-G405 PolarHBondContact O-N 3.24Å
404R54.2Low55.2Low245 Ų245112.6 Ų112.693%0.92554%0.539SS*.  trans-61.3103.7172.8-70.9-178.6177.4179.50.8111.2
405G54.3Low55.9Low77 Ų77112.6 Ų112.679%0.79454%0.541SS*.SBendtrans100.4-3155.700000118.5H403H403-G405 PolarHBondContact O-N 3.24Å
406N55Low56.5Low105 Ų105113.9 Ų113.956%0.56154%0.544SS*.  trans-122.529.8-179.8-113.17.2000114.7R408 Q409 L410N406-R408 PolarHBondContact O-N 2.9Å; N406-R408 VanDerWaalsContact O-N 3.14Å; N406-Q409 PolarHBondContact O-N 3.27Å; N406-L410 PolarHBondContact O-N 3.34Å
407Y53.8Low56.8Low101 Ų101114.1 Ų114.140%0.39655%0.551SS.*Hα-helixtrans-57.4-32-173.9-165.9-111.9000114.1L411Y407-L411 HydrophobicContact CD1-CD1 3.47Å; Y407-L411 VanDerWaalsContact CD1-CD1 3.47Å; Y407-L411 HydrophobicContact CE1-CD1 3.1Å; Y407-L411 HydrophobicContact CE1-CG 4.37Å; Y407-L411 HydrophobicContact CE2-CD1 4.25Å; Y407-L411 HydrophobicContact CG-CD1 4.19Å; Y407-L411 WeakPolarHBondContact O-CB 3.1Å; Y407-L411 PolarHBondContact O-N 2.93Å
408R54.5Low56.7Low200 Ų200113.9 Ų113.976%0.75555%0.551SS**Hα-helixtrans-74.7-38.2-174.3-159.9173177.6152.3-0113.1N406 E412N406-R408 PolarHBondContact O-N 2.9Å; N406-R408 VanDerWaalsContact O-N 3.14Å; R408-E412 WeakPolarHBondContact O-CG 3.44Å; R408-E412 PolarHBondContact O-N 2.93Å; R408-E412 VanDerWaalsContact O-N 3.11Å
409Q57.8Low57Low110 Ų110117 Ų11751%0.51456%0.558SS.*Hα-helixtrans-74.4-39.3-178.4-160.4170.58.900111.4N406 E412 E413N406-Q409 PolarHBondContact O-N 3.27Å; Q409-E412 PolarHBondContact O-N 2.85Å; Q409-E413 PolarHBondContact O-N 3.02Å
410L55.3Low57.2Low70 Ų70118.6 Ų118.637%0.36657%0.567SS.*Hα-helixtrans-68.4-37.1176.8-15581.4000112.3N406 E413 M414N406-L410 PolarHBondContact O-N 3.34Å; L410-E413 PolarHBondContact O-N 3.4Å; L410-M414 WeakPolarHBondContact O-CB 3.38Å; L410-M414 PolarHBondContact O-N 3.23Å
411L59.8Low57.1Low56 Ų56112.5 Ų112.529%0.29356%0.558SS.*Hα-helixtrans-66.6-39173.2-98.8161.3000112.4Y407 L415Y407-L411 HydrophobicContact CD1-CD1 3.47Å; Y407-L411 VanDerWaalsContact CD1-CD1 3.47Å; Y407-L411 HydrophobicContact CE1-CD1 3.1Å; Y407-L411 HydrophobicContact CE1-CG 4.37Å; Y407-L411 HydrophobicContact CE2-CD1 4.25Å; Y407-L411 HydrophobicContact CG-CD1 4.19Å; Y407-L411 WeakPolarHBondContact O-CB 3.1Å; Y407-L411 PolarHBondContact O-N 2.93Å; L411-L415 VanDerWaalsContact O-CB 3.23Å; L411-L415 WeakPolarHBondContact O-CB 3.33Å; L411-L415 WeakPolarHBondContact O-CD1 3.39Å; L411-L415 VanDerWaalsContact O-CG 3.25Å; L411-L415 WeakPolarHBondContact O-CG 3.22Å; L411-L415 PolarHBondContact O-N 3.45Å
412E62.3Low56.9Low115 Ų115115.1 Ų115.154%0.53756%0.561SS.*Hα-helixtrans-65.8-41175.4-82.2178.9179.900111.6R408 Q409 T416R408-E412 WeakPolarHBondContact O-CG 3.44Å; R408-E412 PolarHBondContact O-N 2.93Å; R408-E412 VanDerWaalsContact O-N 3.11Å; Q409-E412 PolarHBondContact O-N 2.85Å; E412-T416 VanDerWaalsContact O-CB 3.3Å; E412-T416 WeakPolarHBondContact O-CB 3.33Å; E412-T416 PolarHBondContact O-N 3.37Å; E412-T416 PolarHBondContact O-OG1 2.94Å
413E65.9Low57.1Low115 Ų115115.8 Ų115.854%0.53757%0.569SS.*Hα-helixtrans-63.5-48.8174.2-76.3177175.500111.6Q409 L410 L415 T416 S417Q409-E413 PolarHBondContact O-N 3.02Å; L410-E413 PolarHBondContact O-N 3.4Å; E413-L415 PolarHBondContact O-N 3.35Å; E413-T416 WeakPolarHBondContact O-CB 3.47Å; E413-T416 PolarHBondContact O-N 3.33Å; E413-T416 VanDerWaalsContact O-N 3.14Å; E413-S417 PolarHBondContact O-N 2.97Å; E413-S417 PolarHBondContact O-OG 3.18Å
414M64.5Low56.7Low88 Ų88117.8 Ų117.843%0.43358%0.579SS.*Hα-helixtrans-61.8-41.3176.9-91179.430.900113.3M399 L410 T416 S417 Y418M399-M414 HydrophobicContact CE-SD 3.98Å; M399-M414 HydrophobicContact SD-SD 4.36Å; L410-M414 WeakPolarHBondContact O-CB 3.38Å; L410-M414 PolarHBondContact O-N 3.23Å; M414-T416 VanDerWaalsContact C-N 3.28Å; M414-T416 PolarHBondContact O-N 3.02Å; M414-S417 PolarHBondContact O-N 3.48Å; M414-Y418 VanDerWaalsContact O-CB 3.3Å; M414-Y418 WeakPolarHBondContact O-CB 3.27Å; M414-Y418 PolarHBondContact O-N 3.3Å
415L64.3Low56.4Low83 Ų83109.5 Ų109.544%0.43557%0.569SS.*Hα-helixtrans-67.5-31.5176.4-78.8165.2000111.6L411 E413 R419L411-L415 VanDerWaalsContact O-CB 3.23Å; L411-L415 WeakPolarHBondContact O-CB 3.33Å; L411-L415 WeakPolarHBondContact O-CD1 3.39Å; L411-L415 VanDerWaalsContact O-CG 3.25Å; L411-L415 WeakPolarHBondContact O-CG 3.22Å; L411-L415 PolarHBondContact O-N 3.45Å; E413-L415 PolarHBondContact O-N 3.35Å; L415-R419 WeakPolarHBondContact O-CB 3.45Å; L415-R419 WeakPolarHBondContact O-CG 3.02Å; L415-R419 PolarHBondContact O-N 2.94Å
416T65.1Low55.5Low77 Ų77115.2 Ų115.247%0.47258%0.575SS.*Hα-helixtrans-70.2-45.2175-56.50000110.6E412 E413 M414 Y418 R419 L420E412-T416 VanDerWaalsContact O-CB 3.3Å; E412-T416 WeakPolarHBondContact O-CB 3.33Å; E412-T416 PolarHBondContact O-N 3.37Å; E412-T416 PolarHBondContact O-OG1 2.94Å; E413-T416 WeakPolarHBondContact O-CB 3.47Å; E413-T416 PolarHBondContact O-N 3.33Å; E413-T416 VanDerWaalsContact O-N 3.14Å; M414-T416 VanDerWaalsContact C-N 3.28Å; M414-T416 PolarHBondContact O-N 3.02Å; T416-Y418 PolarHBondContact O-N 3.47Å; T416-R419 PolarHBondContact O-N 3.49Å; T416-L420 HydrophobicContact CG2-CD1 4.27Å; T416-L420 WeakPolarHBondContact O-CG 3.4Å; T416-L420 PolarHBondContact O-N 3.47Å
417S59Low54.6Low75 Ų75119.4 Ų119.452%0.52459%0.591SS.*Hα-helixtrans-62-40.9173.9-53.10000112.5E413 M414 L420 A421E413-S417 PolarHBondContact O-N 2.97Å; E413-S417 PolarHBondContact O-OG 3.18Å; M414-S417 PolarHBondContact O-N 3.48Å; S417-L420 PolarHBondContact O-N 2.83Å; S417-A421 WeakPolarHBondContact O-CB 3.46Å; S417-A421 PolarHBondContact O-N 3.35Å
418Y55.6Low53.9Low162 Ų162120 Ų12064%0.63561%0.61SS**Hα-helixtrans-69-35.5177.6-167.8-97.2000112.4M414 T416 K422M414-Y418 VanDerWaalsContact O-CB 3.3Å; M414-Y418 WeakPolarHBondContact O-CB 3.27Å; M414-Y418 PolarHBondContact O-N 3.3Å; T416-Y418 PolarHBondContact O-N 3.47Å; Y418-K422 WeakPolarHBondContact O-CB 3.32Å; Y418-K422 PolarHBondContact O-N 3.3Å; Y418-K422 VanDerWaalsContact O-N 3.16Å
419R56.5Low53.2Low177 Ų177116.1 Ų116.167%0.66861%0.611SS**Hα-helixtrans-67.9-36.6173-77.4171.4179.7171.31.2111.9L415 T416 K422 V423L415-R419 WeakPolarHBondContact O-CB 3.45Å; L415-R419 WeakPolarHBondContact O-CG 3.02Å; L415-R419 PolarHBondContact O-N 2.94Å; T416-R419 PolarHBondContact O-N 3.49Å; R419-K422 PolarHBondContact O-N 2.91Å; R419-V423 WeakPolarHBondContact O-CG2 3.24Å; R419-V423 PolarHBondContact O-N 3.02Å
420L53.5Low52Low108 Ų108115.3 Ų115.357%0.56562%0.623SS**Hα-helixtrans-65.5-46.6174-78.4158.2000111.6T416 S417 K422 V423 E424T416-L420 HydrophobicContact CG2-CD1 4.27Å; T416-L420 WeakPolarHBondContact O-CG 3.4Å; T416-L420 PolarHBondContact O-N 3.47Å; S417-L420 PolarHBondContact O-N 2.83Å; L420-K422 PolarHBondContact O-N 2.93Å; L420-V423 PolarHBondContact O-N 3.36Å; L420-E424 PolarHBondContact O-N 3.28Å
421A50.1Low51.4Low65 Ų65119.2 Ų119.254%0.53764%0.644SS.*Hα-helixtrans-65.3-18.6176.900000113.9S417 E424S417-A421 WeakPolarHBondContact O-CB 3.46Å; S417-A421 PolarHBondContact O-N 3.35Å; A421-E424 VanDerWaalsContact O-O 3.06Å
422K48.6Very low50.2Low163 Ų163122.3 Ų122.371%0.70967%0.668SS**Hα-helixtrans-90.7-14.6175.3-144.4-177.8-176-174.30113.3Y418 R419 L420Y418-K422 WeakPolarHBondContact O-CB 3.32Å; Y418-K422 PolarHBondContact O-N 3.3Å; Y418-K422 VanDerWaalsContact O-N 3.16Å; R419-K422 PolarHBondContact O-N 2.91Å; L420-K422 PolarHBondContact O-N 2.93Å
423V54.4Low48.8Very low126 Ų126121.3 Ų121.376%0.76468%0.679SS**Hα-helixtrans-85.4-26.8173.3172.10000110.6R419 L420R419-V423 WeakPolarHBondContact O-CG2 3.24Å; R419-V423 PolarHBondContact O-N 3.02Å; L420-V423 PolarHBondContact O-N 3.36Å
424E46.9Very low47Very low156 Ų156120.7 Ų120.773%0.72969%0.694SS**SBendtrans-104.385.4172.8-64.6-178.9166.300109L420 A421 E426L420-E424 PolarHBondContact O-N 3.28Å; A421-E424 VanDerWaalsContact O-O 3.06Å; E424-E426 PolarHBondContact O-N 2.86Å
425G47.7Very low45.2Very low70 Ų70121.2 Ų121.272%0.72271%0.712SS**  trans-71118.7-176.600000112.8
426E35.6Very low43.6Very low197 Ų197121.8 Ų121.892%0.92173%0.728SS**  trans-143.5138.6161-92.9-176.4174.400111.8E424E424-E426 PolarHBondContact O-N 2.86Å
427E36.2Very low41.8Very low194 Ų194122.3 Ų122.391%0.90774%0.741SS**  trans-75.3158.9-175.1-69.2178.4142.400113.7
428S38.6Very low40.4Very low112 Ų112124.2 Ų124.278%0.78375%0.754SS**  trans-63.4165.6178.682.80000114.1
429P39Very low39.2Very low120 Ų120121.5 Ų121.578%0.77976%0.759SS**  -146.7148.7112.531.8-13.4000117.6
430A32.8Very low38Very low92 Ų92120.7 Ų120.776%0.7677%0.768SS**  trans44.7133.6136.900000123.7
431D42.5Very low36.9Very low153 Ų153120.1 Ų120.182%0.81877%0.773SS**  trans-64.3147.1170.6-1561.7000113.7
432P34.5Very low36Very low121 Ų121124.9 Ų124.979%0.78679%0.789SS**  trans-139.5123.2145.434.1-17000114.1
433A32.6Very low35.1Very low93 Ų93120.7 Ų120.777%0.76979%0.792SS**  trans-92.5145.5148.600000110
434A30.1Very low33.8Very low103 Ų103118.7 Ų118.785%0.85180%0.797SS**  trans84.3105.1170.600000118.5
435A26.4Very low33.1Very low98 Ų98118.9 Ų118.981%0.8180%0.803SS**  -177.1137.2129.700000113.3
436A29.4Very low33.4Very low95 Ų95120.1 Ų120.179%0.78580%0.798SS**  trans69.2117.1151.900000117.9
437A28.3Very low33.2Very low89 Ų89117.2 Ų117.274%0.73679%0.793SS**  cis54103.830.400000115.4
438S29Very low33Very low114 Ų114111.4 Ų111.480%0.79778%0.779SS**  trans78.9119.5149.175.50000121.2
439S30.3Very low32.7Very low106 Ų106114 Ų11474%0.74178%0.781SS**  171.8112.212141.30000109.1
440N31.3Very low32.4Very low160 Ų160115.5 Ų115.586%0.85678%0.777SS**  71.7140.999.2-76.7-4.4000113.3
441S30.9Very low32.3Very low96 Ų96117.8 Ų117.867%0.67177%0.772SS**  cis-178.6173.80.743.90000107.8
442D31.1Very low31.8Very low165 Ų165119.9 Ų119.988%0.88277%0.769SS**  trans79131.6167.5-73.5-17.2000118.5
443G28.9Very low31.8Very low75 Ų75120.9 Ų120.977%0.77377%0.768SS**  cis174.4162.52.100000110.6
444G27Very low31.8Very low83 Ų83122.2 Ų122.286%0.85677%0.766SS**  trans120.492.7161.400000117.3
445N32.2Very low32.1Very low160 Ų160126.7 Ų126.786%0.85677%0.769SS**  trans-87.3-174.3160.6-137.46.8000108.7
446P54.3Low32.3Very low96 Ų96125.6 Ų125.662%0.62377%0.768SS**  cis-144.6-165.1-2.127.9-0.4000115.6
447V31.8Very low32.4Very low136 Ų136124.6 Ų124.682%0.82477%0.767SS**  trans96.4138.1152.3-169.60000115.5
448A32.8Very low33.5Very low73 Ų73126.4 Ų126.460%0.60377%0.771SS**  cis-177.7164.3-2400000107.4
449M30.7Very low33.9Very low167 Ų167126 Ų12682%0.82377%0.774SS**  trans66.9148.9156.6-71.4-178.1166.700116.9
450Q32.7Very low34.1Very low150 Ų150124 Ų12470%0.70177%0.771SS**  cis-165.9130.79.2-119.6163.5-10.400103.7
451E31.2Very low34.2Very low141 Ų141124.3 Ų124.366%0.65977%0.772SS**  66.4129.586.5-122-170.9-13900116.7
452R33.1Very low34.5Very low197 Ų197125.7 Ų125.774%0.74377%0.771SS**  trans86124.2154.9-63.9-175.2-131.8-168.31118.6
453D33.2Very low34.7Very low142 Ų142122.6 Ų122.676%0.75976%0.763SS**  cis102.7151.841.6-87.6-32.6000112
454T32.3Very low34.9Very low120 Ų120129.6 Ų129.674%0.73677%0.766SS**  trans85.8108.5164640000116.8
455E37.8Very low35.3Very low197 Ų197132.6 Ų132.692%0.92176%0.762SS**  84.9135.373-85.1-167.2160.300113.7
456G30.8Very low35.4Very low75 Ų75133.5 Ų133.577%0.77376%0.761SS**  trans144.297.2156.200000116.2
457G31.6Very low34.6Very low74 Ų74136.3 Ų136.376%0.76377%0.771SS**  trans-73.7-169.614100000110.1
458P51.2Low34.7Very low127 Ų127134 Ų13483%0.82577%0.767SS**  cis-144.2-179.117.239.6-17.6000116.6
459A36.8Very low34.7Very low105 Ų105134.1 Ų134.187%0.86877%0.774SS**  trans41.3132.2142.100000124.1
460G34.5Very low34.9Very low65 Ų65132.6 Ų132.667%0.6778%0.775SS**  133.2125.5119.900000119.1
461L34.2Very low35.1Very low167 Ų167134.4 Ų134.487%0.87478%0.78SS**  trans72144.9135.2-71159.8000117.9
462D35.7Very low35.4Very low124 Ų124138.8 Ų138.866%0.66379%0.791SS**  cis-174171.2-0.9-159-6000107.2
463S35.2Very low35.5Very low101 Ų101134.1 Ų134.171%0.70679%0.789SS**  trans75.5154.1153.880.60000119.6
464R34.2Very low35.9Very low221 Ų221131.6 Ų131.683%0.83479%0.788SS**  cis176146-30-106.2175.6-169.6-173.23.6104.5
465N34.3Very low36.6Very low146 Ų146133.9 Ų133.978%0.78179%0.79SS**  trans146.8108.5146.4-83.21.5000108.5
466E35.9Very low37Very low179 Ų179131.1 Ų131.184%0.83678%0.781SS**  54.5102.465.3-69.8-165.7165.300114.2
467D36.5Very low37.7Very low155 Ų155139 Ų13983%0.82980%0.803SS**  172.8121.4118.2-109.8-13.4000107.8
468A34.8Very low38Very low89 Ų89142.3 Ų142.374%0.73681%0.805SS**  85.5122.962.700000114.9
469G31.5Very low37.3Very low74 Ų74143.1 Ų143.176%0.76380%0.804SS**  trans86.9144.8156.100000116.1
470T36.3Very low37.3Very low136 Ų136145.2 Ų145.283%0.83480%0.801SS**  cis-166.3151.910.8-65.40000109
471K36.9Very low37.5Very low187 Ų187149.9 Ų149.981%0.81381%0.808SS**  trans-38.6152.5164.3-65.1167.9169.7175.20116.3
472R36.3Very low37.7Very low233 Ų233148.8 Ų148.888%0.87980%0.804SS**  152111.5129-88.5-179.6-178.2-169.81.3109.1
473S36.8Very low37.8Very low100 Ų100150.5 Ų150.570%0.69981%0.814SS**  79.9134.274.770.30000115.1
474A39.8Very low38Very low89 Ų89154 Ų15474%0.73682%0.821SS**  trans78.8115.3161.400000116.5
475E46.9Very low38.3Very low168 Ų168148.8 Ų148.879%0.78582%0.82SS**  83.413067.5-93.5-172.3168.800114.6
476N46.5Very low38.6Very low139 Ų139149.1 Ų149.174%0.74382%0.824SS**  trans73.1132.8157.9-54.1-27.9000115.6
477I45.5Very low38.9Very low240 Ų240146.4 Ų146.4100%1.23182%0.823SS**  cis-146.9035.5-70.2170.4000109.3

Retrieved 477 of 477 residues in 750.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).