A0A5K4F1Q9_SCHMA Loading...

Dimethylargininase

AlphaFold DB , UniProt , Accession A0A5K4F1Q9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M65Low91.7Very high192 Ų19241.5 Ų41.595%0.94620%0.202SC*.  0137.70-80.2-175.9-79.200107.5Q4M1-Q4 HydrophobicContact CB-CG 3.86Å
2A84.8Confident92.2Very high30 Ų3042.9 Ų42.925%0.24821%0.209CC..THydrogen-bonded Turntrans-65.7151.1177.900000111.1Q4 F131A2-Q4 PolarHBondContact O-N 2.88Å; A2-F131 HydrophobicContact CB-CE1 4.41Å
3F91.3Very high92.6Very high15 Ų1539.7 Ų39.77%0.06619%0.193CC..THydrogen-bonded Turntrans60.122.5175.8-43.8-71.9000115.8Y5 T132 V179 I182 Y223 N225F3-Y5 HydrophobicContact CB-CE2 4.11Å; F3-Y5 HydrophobicContact CD1-CE2 4.43Å; F3-Y5 WeakPolarHBondContact CD1-OH 3.5Å; F3-T132 VanDerWaalsContact CZ-C 3.41Å; F3-V179 HydrophobicContact CE1-CB 4.4Å; F3-V179 HydrophobicContact CE1-CG1 4.03Å; F3-V179 HydrophobicContact CE2-CG1 4.07Å; F3-V179 HydrophobicContact CZ-CB 4.34Å; F3-V179 HydrophobicContact CZ-CG1 3.64Å; F3-V179 HydrophobicContact CZ-CG2 4.3Å; F3-I182 HydrophobicContact CD2-CD1 3.58Å; F3-I182 HydrophobicContact CE2-CD1 4.07Å; F3-Y223 HydrophobicContact CB-CD1 3.77Å; F3-Y223 HydrophobicContact CB-CE1 4.19Å; F3-Y223 HydrophobicContact CD2-CD1 4.02Å; F3-Y223 HydrophobicContact CD2-CE1 4.33Å; F3-Y223 AromaticContact CG-CD1 3.87Å; F3-Y223 HydrophobicContact CG-CD1 3.87Å; F3-Y223 HydrophobicContact CG-CE1 4.47Å; F3-N225 PolarHBondContact O-N 3.11Å
4Q92.9Very high92.8Very high50 Ų5036.9 Ų36.923%0.23418%0.179CC..  trans-97.6114.5167.8-70.6-69.8-32.700107.8M1 A2 N225 H226 G274 P275M1-Q4 HydrophobicContact CB-CG 3.86Å; A2-Q4 PolarHBondContact O-N 2.88Å; Q4-N225 WeakPolarHBondContact CA-OD1 3.44Å; Q4-H226 PolarHBondContact NE2-CD2 2.65Å; Q4-H226 PolarHBondContact NE2-NE2 2.64Å; Q4-G274 WeakPolarHBondContact O-CA 3.29Å; Q4-P275 WeakPolarHBondContact O-CD 3.49Å
5Y94.9Very high93Very high46 Ų4645.5 Ų45.518%0.1821%0.209CC..  trans-122.3124.6-172.9-57.3-64000109.9F3 I224 N225 F272 A273F3-Y5 HydrophobicContact CB-CE2 4.11Å; F3-Y5 HydrophobicContact CD1-CE2 4.43Å; F3-Y5 WeakPolarHBondContact CD1-OH 3.5Å; Y5-I224 HydrophobicContact CD2-CB 4.32Å; Y5-I224 HydrophobicContact CD2-CG1 4.32Å; Y5-I224 HydrophobicContact CD2-CG2 4.03Å; Y5-N225 PolarHBondContact N-OD1 2.7Å; Y5-N225 PolarHBondContact O-ND2 2.92Å; Y5-N225 PolarHBondContact O-OD1 2.87Å; Y5-F272 HydrophobicContact CD1-CB 3.4Å; Y5-F272 VanDerWaalsContact CD1-CB 3.4Å; Y5-F272 HydrophobicContact CD1-CG 4.31Å; Y5-F272 HydrophobicContact CD2-CB 4.25Å; Y5-F272 HydrophobicContact CD2-CD1 4.19Å; Y5-F272 HydrophobicContact CD2-CG 4.34Å; Y5-F272 HydrophobicContact CE1-CB 3.41Å; Y5-F272 VanDerWaalsContact CE1-CB 3.41Å; Y5-F272 HydrophobicContact CE1-CG 4.36Å; Y5-F272 HydrophobicContact CE2-CB 4.28Å; Y5-F272 HydrophobicContact CE2-CG 4.41Å; Y5-F272 HydrophobicContact CG-CB 3.8Å; Y5-F272 HydrophobicContact CG-CD1 4.1Å; Y5-F272 HydrophobicContact CG-CG 4.25Å; Y5-A273 WeakPolarHBondContact CA-O 3.1Å
6E94Very high93.1Very high65 Ų6543.8 Ų43.830%0.30420%0.204SC..SBendtrans-93.8-34.3174.3-170.2-179.7159.900110.1D58 A273 P275E6-D58 WeakPolarHBondContact O-CB 3.44Å; E6-D58 PolarHBondContact O-N 2.78Å; E6-A273 PolarHBondContact N-O 3.2Å; E6-P275 WeakPolarHBondContact OE2-CA 3.37Å; E6-P275 WeakPolarHBondContact OE2-CB 3.43Å
7Y96.3Very high93.1Very high50 Ų5041.2 Ų41.220%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-128.4150.4-177.1-55-85.4000112.4V57 D58 L110 A273Y7-V57 VanDerWaalsContact C-CG1 3.45Å; Y7-D58 CarbonylContact C-O 3.48Å; Y7-D58 WeakPolarHBondContact CA-O 3.34Å; Y7-D58 HydrophobicContact CD1-CB 3.85Å; Y7-D58 HydrophobicContact CE1-CB 4.08Å; Y7-L110 HydrophobicContact CD1-CD2 3.76Å; Y7-L110 HydrophobicContact CD2-CD2 3.92Å; Y7-L110 HydrophobicContact CE1-CD2 4.3Å; Y7-L110 HydrophobicContact CE2-CD2 4.45Å; Y7-L110 HydrophobicContact CG-CD2 3.57Å; Y7-A273 PolarHBondContact N-O 3.02Å; Y7-A273 VanDerWaalsContact N-O 3.07Å; Y7-A273 PolarHBondContact O-N 3.07Å
8A97.1Very high93Very high0 Ų041.5 Ų41.50%019%0.193CC..EExtended strand (participates in β ladder)trans-130.2138.8162.400000110.4L52 V57 D58 V59 L60 A270 L271 F272A8-L52 HydrophobicContact CB-CD1 3.96Å; A8-V57 HydrophobicContact CB-CG1 3.56Å; A8-D58 PolarHBondContact N-O 3.26Å; A8-V59 WeakPolarHBondContact O-CA 3.45Å; A8-L60 PolarHBondContact O-N 2.71Å; A8-A270 HydrophobicContact CB-CB 4.45Å; A8-L271 CarbonylContact C-O 3.55Å; A8-L271 VanDerWaalsContact CA-O 3.24Å; A8-L271 WeakPolarHBondContact CA-O 3.2Å; A8-F272 HydrophobicContact CB-CD1 3.9Å; A8-F272 HydrophobicContact CB-CE1 3.92Å
9V97.6Very high92.8Very high1 Ų147.1 Ų47.11%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-99.4128.4169.4-1750000108.4L60 M62 I102 T105 L106 L110 A270 L271V9-L60 WeakPolarHBondContact CA-O 3.4Å; V9-L60 HydrophobicContact CG2-CB 4.44Å; V9-L60 HydrophobicContact CG2-CD2 4.23Å; V9-M62 HydrophobicContact CG1-CG 4.12Å; V9-M62 HydrophobicContact CG1-SD 3.6Å; V9-I102 HydrophobicContact CG1-CD1 3.95Å; V9-T105 HydrophobicContact CG1-CG2 4.18Å; V9-L106 HydrophobicContact CG2-CD2 3.81Å; V9-L110 HydrophobicContact CG2-CD1 4.03Å; V9-A270 WeakPolarHBondContact O-CA 3.46Å; V9-L271 HydrophobicContact CB-CB 4.34Å; V9-L271 PolarHBondContact N-O 3.31Å; V9-L271 PolarHBondContact O-N 3.49Å
10V97.8Very high92.7Very high2 Ų245.7 Ų45.71%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-130160.9175.8-56.20000109.3F48 V49 L52 V59 L60 E61 M62 L269 A270V10-F48 HydrophobicContact CG1-CE1 4.3Å; V10-V49 HydrophobicContact CG2-CG2 3.96Å; V10-L52 HydrophobicContact CG1-CD1 4.23Å; V10-V59 HydrophobicContact CB-CG1 4.39Å; V10-V59 HydrophobicContact CG1-CG1 3.95Å; V10-V59 HydrophobicContact CG2-CG1 3.54Å; V10-L60 PolarHBondContact N-O 3.1Å; V10-E61 HydrophobicContact CG2-CB 4.16Å; V10-E61 HydrophobicContact CG2-CG 3.69Å; V10-M62 PolarHBondContact O-N 3.3Å; V10-L269 WeakPolarHBondContact CG1-O 3.45Å; V10-A270 HydrophobicContact CG1-CB 3.98Å
11S97.3Very high92.5Very high5 Ų544 Ų444%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-122.2143.9174.6-176.20000110.7R45 C71S11-R45 WeakPolarHBondContact O-CD 3.44Å; S11-C71 WeakPolarHBondContact CB-O 3.46Å
12Q97.4Very high93.4Very high59 Ų5940.5 Ų40.528%0.27619%0.188SC..PPolyproline II helixtrans-63.6161165.7-66.717827.600111M62 E63 A64Q12-M62 PolarHBondContact N-O 3.43Å; Q12-E63 PolarHBondContact NE2-OE2 3.11Å; Q12-A64 HydrophobicContact CB-CB 3.85Å
13I97Very high93.3Very high1 Ų140.7 Ų40.71%0.00519%0.187CC..PPolyproline II helixtrans-89.6118.5-179.7-55.5167.5000108.6F17 Y38 A41 R45 V72 L259I13-F17 HydrophobicContact CG2-CB 4.01Å; I13-F17 HydrophobicContact CG2-CD1 3.84Å; I13-F17 HydrophobicContact CG2-CG 4.25Å; I13-Y38 HydrophobicContact CB-CE2 4.28Å; I13-Y38 HydrophobicContact CG2-CD2 4.35Å; I13-Y38 HydrophobicContact CG2-CE2 4.01Å; I13-Y38 WeakPolarHBondContact O-CE2 3.47Å; I13-Y38 PolarHBondContact O-OH 3.21Å; I13-A41 VanDerWaalsContact CD1-C 3.46Å; I13-A41 HydrophobicContact CD1-CB 3.77Å; I13-A41 WeakPolarHBondContact CD1-O 3.38Å; I13-R45 HydrophobicContact CD1-CB 4.23Å; I13-V72 HydrophobicContact CG1-CB 4.29Å; I13-V72 HydrophobicContact CG1-CG2 3.82Å; I13-L259 HydrophobicContact CD1-CD2 3.77Å
14P96.3Very high92.7Very high0 Ų046 Ų460%022%0.223CC..PPolyproline II helixtrans-71.3149.4174.829.9-32.2000110.2S16 F17 A64 P69 C71P14-S16 PolarHBondContact O-N 3.44Å; P14-F17 HydrophobicContact CG-CB 4.19Å; P14-F17 WeakPolarHBondContact O-CB 3.46Å; P14-F17 PolarHBondContact O-N 2.97Å; P14-A64 HydrophobicContact CB-CB 4.05Å; P14-P69 WeakPolarHBondContact CG-O 3.44Å; P14-C71 VanDerWaalsContact CD-SG 3.59Å
15R95.2Very high91.8Very high167 Ų16748.4 Ų48.463%0.6324%0.238SC*.THydrogen-bonded Turntrans-63.6-32.8175.6-70.3-172.5171.7-156.8-4.6111.6F17 E18 Y38 E66R15-F17 PolarHBondContact O-N 2.77Å; R15-E18 PolarHBondContact O-N 3.44Å; R15-E18 VanDerWaalsContact O-N 3.15Å; R15-Y38 HydrophobicContact CG-CE1 4.28Å; R15-Y38 HydrophobicContact CG-CE2 3.98Å; R15-E66 PolarHBondContact N-OE1 3.03Å; R15-E66 PolarHBondContact N-OE2 3Å
16S94.2Very high90.8Very high18 Ų1846.7 Ų46.713%0.12623%0.233CC..Hα-helixtrans-60.7-13.717468.80000113.8P14 E18 E19 F20 E66P14-S16 PolarHBondContact O-N 3.44Å; S16-E18 VanDerWaalsContact C-N 3.33Å; S16-E18 PolarHBondContact O-N 3.17Å; S16-E19 PolarHBondContact O-N 2.79Å; S16-F20 WeakPolarHBondContact O-CB 3.48Å; S16-F20 PolarHBondContact O-N 2.71Å; S16-E66 WeakPolarHBondContact CB-O 3.24Å; S16-E66 VanDerWaalsContact CB-OE2 3.29Å; S16-E66 WeakPolarHBondContact CB-OE2 3.48Å; S16-E66 PolarHBondContact N-OE2 2.99Å; S16-E66 PolarHBondContact OG-O 2.76Å; S16-E66 PolarHBondContact OG-OE2 3.12Å
17F94Very high89.5Confident0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-60.9-41.1172.4-170.9-127.2000111.7I13 P14 R15 E19 F20 L21 F36 P69 V72 A262 V264I13-F17 HydrophobicContact CG2-CB 4.01Å; I13-F17 HydrophobicContact CG2-CD1 3.84Å; I13-F17 HydrophobicContact CG2-CG 4.25Å; P14-F17 HydrophobicContact CG-CB 4.19Å; P14-F17 WeakPolarHBondContact O-CB 3.46Å; P14-F17 PolarHBondContact O-N 2.97Å; R15-F17 PolarHBondContact O-N 2.77Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 2.91Å; F17-F20 HydrophobicContact CD2-CD1 4.04Å; F17-F20 HydrophobicContact CE2-CD1 4.09Å; F17-F20 HydrophobicContact CE2-CE1 4.46Å; F17-F20 WeakPolarHBondContact O-CB 3.07Å; F17-F20 PolarHBondContact O-N 3.23Å; F17-L21 HydrophobicContact CD1-CD1 3.99Å; F17-L21 HydrophobicContact CD1-CG 4.35Å; F17-L21 HydrophobicContact CD2-CG 4.45Å; F17-L21 HydrophobicContact CE1-CD1 3.83Å; F17-L21 HydrophobicContact CE1-CD2 4.11Å; F17-L21 HydrophobicContact CE1-CG 4.18Å; F17-L21 HydrophobicContact CE2-CD2 3.96Å; F17-L21 HydrophobicContact CE2-CG 4.3Å; F17-L21 HydrophobicContact CG-CG 4.49Å; F17-L21 HydrophobicContact CZ-CD1 4.27Å; F17-L21 HydrophobicContact CZ-CD2 3.7Å; F17-L21 HydrophobicContact CZ-CG 4.17Å; F17-L21 VanDerWaalsContact O-CG 3.25Å; F17-L21 WeakPolarHBondContact O-CG 3.49Å; F17-L21 PolarHBondContact O-N 2.64Å; F17-F36 HydrophobicContact CD1-CE1 4.1Å; F17-F36 HydrophobicContact CD1-CE2 4.33Å; F17-F36 AromaticContact CD1-CZ 3.72Å; F17-F36 HydrophobicContact CD1-CZ 3.72Å; F17-F36 HydrophobicContact CE1-CE2 4.17Å; F17-F36 AromaticContact CE1-CZ 3.98Å; F17-F36 HydrophobicContact CE1-CZ 3.98Å; F17-P69 WeakPolarHBondContact CD2-O 3.32Å; F17-V72 HydrophobicContact CE2-CG1 4.39Å; F17-V72 HydrophobicContact CZ-CG1 4.31Å; F17-A262 HydrophobicContact CE1-CB 3.92Å; F17-A262 HydrophobicContact CZ-CB 4.14Å; F17-V264 HydrophobicContact CE1-CG2 4.27Å; F17-V264 HydrophobicContact CZ-CG2 3.7Å
18E91.8Very high88Confident46 Ų4647.4 Ų47.422%0.21524%0.242CC..Hα-helixtrans-59.4-46178.4-176.5177.6-17400111.3R15 S16 F20 L21 M22 K35 F36R15-E18 PolarHBondContact O-N 3.44Å; R15-E18 VanDerWaalsContact O-N 3.15Å; S16-E18 VanDerWaalsContact C-N 3.33Å; S16-E18 PolarHBondContact O-N 3.17Å; E18-F20 VanDerWaalsContact C-N 3.35Å; E18-L21 WeakPolarHBondContact O-CB 3.5Å; E18-L21 PolarHBondContact O-N 3Å; E18-M22 HydrophobicContact CG-CE 4.2Å; E18-M22 PolarHBondContact O-N 3.02Å; E18-K35 WeakPolarHBondContact OE1-CE 3.4Å; E18-K35 IonicContact OE1-NZ 3.56Å; E18-F36 HydrophobicContact CB-CD1 3.88Å; E18-F36 HydrophobicContact CB-CE1 4.43Å; E18-F36 HydrophobicContact CG-CB 4.36Å; E18-F36 HydrophobicContact CG-CD1 4.01Å
19E89Confident85.9Confident148 Ų14851.1 Ų51.169%0.69227%0.266SS*.Hα-helixtrans-63.5-42.5177.1-62.9-179.3176.200111.2S16 F17 L21 M22 S23S16-E19 PolarHBondContact O-N 2.79Å; F17-E19 VanDerWaalsContact C-N 3.34Å; F17-E19 PolarHBondContact O-N 2.91Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.23Å; E19-M22 WeakPolarHBondContact O-CB 3.12Å; E19-M22 PolarHBondContact O-N 3.38Å; E19-S23 PolarHBondContact O-N 2.93Å
20F90.1Very high83.8Confident19 Ų1954.4 Ų54.48%0.08330%0.3CS..Hα-helixtrans-59.3-42.8175.4170.2-95.7000111.8S16 F17 E18 M22 S23 D25 A26 P69 E70 R92S16-F20 WeakPolarHBondContact O-CB 3.48Å; S16-F20 PolarHBondContact O-N 2.71Å; F17-F20 HydrophobicContact CD2-CD1 4.04Å; F17-F20 HydrophobicContact CE2-CD1 4.09Å; F17-F20 HydrophobicContact CE2-CE1 4.46Å; F17-F20 WeakPolarHBondContact O-CB 3.07Å; F17-F20 PolarHBondContact O-N 3.23Å; E18-F20 VanDerWaalsContact C-N 3.35Å; F20-M22 PolarHBondContact O-N 3.12Å; F20-M22 VanDerWaalsContact O-N 3.11Å; F20-S23 VanDerWaalsContact O-CB 3.27Å; F20-S23 WeakPolarHBondContact O-CB 3.21Å; F20-S23 PolarHBondContact O-N 2.87Å; F20-S23 PolarHBondContact O-OG 3.44Å; F20-D25 HydrophobicContact CE2-CB 4.25Å; F20-A26 HydrophobicContact CD1-CB 4.4Å; F20-A26 HydrophobicContact CE1-CB 4.05Å; F20-A26 HydrophobicContact CZ-CB 4.39Å; F20-A26 WeakPolarHBondContact O-CB 3.49Å; F20-P69 HydrophobicContact CB-CB 3.59Å; F20-P69 HydrophobicContact CB-CG 3.92Å; F20-P69 HydrophobicContact CD2-CB 4.47Å; F20-P69 HydrophobicContact CD2-CG 3.97Å; F20-P69 HydrophobicContact CG-CB 4.01Å; F20-P69 HydrophobicContact CG-CG 4.02Å; F20-E70 HydrophobicContact CD1-CG 3.92Å; F20-E70 HydrophobicContact CD2-CG 4.44Å; F20-E70 VanDerWaalsContact CE1-CD 3.43Å; F20-E70 HydrophobicContact CE1-CG 3.46Å; F20-E70 VanDerWaalsContact CE1-CG 3.46Å; F20-E70 HydrophobicContact CE2-CG 4.02Å; F20-E70 WeakPolarHBondContact CE2-OE2 3.22Å; F20-E70 HydrophobicContact CG-CG 4.38Å; F20-E70 HydrophobicContact CZ-CG 3.51Å; F20-E70 WeakPolarHBondContact CZ-OE1 3.47Å; F20-E70 WeakPolarHBondContact CZ-OE2 3.41Å; F20-R92 VanDerWaalsContact CZ-NH1 3.29Å
21L88.4Confident81.6Confident11 Ų1160.2 Ų60.26%0.05833%0.325CS..Hα-helixtrans-60.4-21176.7-65.5173.4000113.3F17 E18 E19 I28 K31 F36 A262F17-L21 HydrophobicContact CD1-CD1 3.99Å; F17-L21 HydrophobicContact CD1-CG 4.35Å; F17-L21 HydrophobicContact CD2-CG 4.45Å; F17-L21 HydrophobicContact CE1-CD1 3.83Å; F17-L21 HydrophobicContact CE1-CD2 4.11Å; F17-L21 HydrophobicContact CE1-CG 4.18Å; F17-L21 HydrophobicContact CE2-CD2 3.96Å; F17-L21 HydrophobicContact CE2-CG 4.3Å; F17-L21 HydrophobicContact CG-CG 4.49Å; F17-L21 HydrophobicContact CZ-CD1 4.27Å; F17-L21 HydrophobicContact CZ-CD2 3.7Å; F17-L21 HydrophobicContact CZ-CG 4.17Å; F17-L21 VanDerWaalsContact O-CG 3.25Å; F17-L21 WeakPolarHBondContact O-CG 3.49Å; F17-L21 PolarHBondContact O-N 2.64Å; E18-L21 WeakPolarHBondContact O-CB 3.5Å; E18-L21 PolarHBondContact O-N 3Å; E19-L21 VanDerWaalsContact C-N 3.33Å; E19-L21 PolarHBondContact O-N 3.23Å; L21-I28 HydrophobicContact CD2-CD1 3.22Å; L21-I28 HydrophobicContact CG-CD1 4.46Å; L21-K31 PolarHBondContact O-NZ 3Å; L21-F36 HydrophobicContact CD1-CB 3.91Å; L21-F36 HydrophobicContact CD1-CD1 3.92Å; L21-F36 HydrophobicContact CD1-CD2 3.46Å; L21-F36 VanDerWaalsContact CD1-CD2 3.46Å; L21-F36 HydrophobicContact CD1-CE1 4.27Å; L21-F36 HydrophobicContact CD1-CE2 3.87Å; L21-F36 HydrophobicContact CD1-CG 3.49Å; L21-F36 VanDerWaalsContact CD1-CG 3.49Å; L21-F36 HydrophobicContact CD1-CZ 4.25Å; L21-A262 HydrophobicContact CD1-CB 3.92Å; L21-A262 HydrophobicContact CD2-CB 4Å
22M84.2Confident79.3Confident118 Ų11869 Ų6958%0.58136%0.363SS*.Hα-helixtrans-88.6-15.8174.6-59.3-168.4-174.600113.5E18 E19 F20E18-M22 HydrophobicContact CG-CE 4.2Å; E18-M22 PolarHBondContact O-N 3.02Å; E19-M22 WeakPolarHBondContact O-CB 3.12Å; E19-M22 PolarHBondContact O-N 3.38Å; F20-M22 PolarHBondContact O-N 3.12Å; F20-M22 VanDerWaalsContact O-N 3.11Å
23S83.6Confident77.2Confident33 Ų3370.5 Ų70.523%0.23139%0.394CS..SBendtrans-70154.2177.676.90000111.9E19 F20 D25 A26E19-S23 PolarHBondContact O-N 2.93Å; F20-S23 VanDerWaalsContact O-CB 3.27Å; F20-S23 WeakPolarHBondContact O-CB 3.21Å; F20-S23 PolarHBondContact O-N 2.87Å; F20-S23 PolarHBondContact O-OG 3.44Å; S23-D25 PolarHBondContact O-N 3.26Å; S23-D25 VanDerWaalsContact O-N 3.15Å; S23-D25 PolarHBondContact OG-N 2.85Å; S23-A26 PolarHBondContact O-N 2.74Å; S23-A26 PolarHBondContact OG-N 3.49Å
24P77.2Confident75.6Confident127 Ų12773.1 Ų73.183%0.82542%0.421SS*.G310 helixtrans-56.2-26.9170.3-23.834.4000112.8A26P24-A26 PolarHBondContact O-N 3.24Å
25D75.6Confident75Confident101 Ų10180.9 Ų80.954%0.5446%0.455SS..G310 helixtrans-71.4-28.3-176.8-62.1-33.5000111.7F20 S23 N27 R92F20-D25 HydrophobicContact CE2-CB 4.25Å; S23-D25 PolarHBondContact O-N 3.26Å; S23-D25 VanDerWaalsContact O-N 3.15Å; S23-D25 PolarHBondContact OG-N 2.85Å; D25-N27 PolarHBondContact O-N 3.35Å; D25-R92 PolarHBondContact O-NH1 3.15Å; D25-R92 PolarHBondContact O-NH2 3.04Å
26A73.8Confident74.8Confident9 Ų973.8 Ų73.87%0.07443%0.428CS..G310 helixtrans-57-22.6-174.300000115.1F20 S23 P24 I28F20-A26 HydrophobicContact CD1-CB 4.4Å; F20-A26 HydrophobicContact CE1-CB 4.05Å; F20-A26 HydrophobicContact CZ-CB 4.39Å; F20-A26 WeakPolarHBondContact O-CB 3.49Å; S23-A26 PolarHBondContact O-N 2.74Å; S23-A26 PolarHBondContact OG-N 3.49Å; P24-A26 PolarHBondContact O-N 3.24Å; A26-I28 HydrophobicContact CB-CD1 4.12Å; A26-I28 HydrophobicContact CB-CG1 4.09Å; A26-I28 VanDerWaalsContact O-CG1 3.25Å; A26-I28 WeakPolarHBondContact O-CG1 3.48Å; A26-I28 PolarHBondContact O-N 3.07Å
27N66.2Low74.8Confident99 Ų9976.9 Ų76.953%0.52944%0.443SS..  trans3760.7178.1-168.418.1000113D25 P29 R171D25-N27 PolarHBondContact O-N 3.35Å; N27-P29 WeakPolarHBondContact O-CD 3.37Å; N27-R171 PolarHBondContact O-NH1 3.03Å
28I65.3Low74.9Confident32 Ų3279.1 Ų79.116%0.16445%0.452CS..  trans-104.3100.7178.7-53.7-179.7000109.3L21 A26 N261 A262L21-I28 HydrophobicContact CD2-CD1 3.22Å; L21-I28 HydrophobicContact CG-CD1 4.46Å; A26-I28 HydrophobicContact CB-CD1 4.12Å; A26-I28 HydrophobicContact CB-CG1 4.09Å; A26-I28 VanDerWaalsContact O-CG1 3.25Å; A26-I28 WeakPolarHBondContact O-CG1 3.48Å; A26-I28 PolarHBondContact O-N 3.07Å; I28-N261 VanDerWaalsContact CG2-O 3.32Å; I28-N261 WeakPolarHBondContact CG2-O 3.24Å; I28-A262 WeakPolarHBondContact CD1-O 3.39Å
29P52.8Low75.1Confident78 Ų7882.3 Ų82.351%0.50647%0.467SS..THydrogen-bonded Turntrans-61.6139.1171.8-18.732000110.5N27N27-P29 WeakPolarHBondContact O-CD 3.37Å
30G52.1Low75.5Confident70 Ų7078.2 Ų78.272%0.72245%0.448SS*.THydrogen-bonded Turntrans72.631.3172.400000113.9K32G30-K32 PolarHBondContact O-N 2.88Å
31K52.5Low75.9Confident124 Ų12477.3 Ų77.354%0.53944%0.444SS..  trans-52.580165.5-161172.5-175.11720108.8L21 G33L21-K31 PolarHBondContact O-NZ 3Å; K31-G33 PolarHBondContact O-N 2.98Å
32K49.5Very low76.3Confident190 Ų19078.1 Ų78.183%0.82645%0.45SS*.  trans-55.2122163.6-73.9-177.1178.1176.70103G30 G34G30-K32 PolarHBondContact O-N 2.88Å; K32-G34 PolarHBondContact O-N 3.4Å
33G52Low77Confident89 Ų8976.2 Ų76.292%0.91844%0.443SS*.SBendtrans-64.638-164.800000116.5K31K31-G33 PolarHBondContact O-N 2.98Å
34G64.8Low77.7Confident56 Ų5674.7 Ų74.758%0.57743%0.432SS*.PPolyproline II helixtrans-78.8144.1164.800000110.6K32K32-G34 PolarHBondContact O-N 3.4Å
35K83.1Confident78.6Confident163 Ų16369.7 Ų69.771%0.70940%0.397SS*.PPolyproline II helixtrans-68.1140.3166.3-173.3-174.5174.4-169.60108.2E18 D37E18-K35 WeakPolarHBondContact OE1-CE 3.4Å; E18-K35 IonicContact OE1-NZ 3.56Å; K35-D37 PolarHBondContact O-N 3.06Å
36F90.8Very high79.7Confident19 Ų1968.7 Ų68.78%0.08339%0.389CS..PPolyproline II helixtrans-63.7128.9172.4175.6-106.7000109.8F17 E18 L21 Y38 A41 E258 A262F17-F36 HydrophobicContact CD1-CE1 4.1Å; F17-F36 HydrophobicContact CD1-CE2 4.33Å; F17-F36 AromaticContact CD1-CZ 3.72Å; F17-F36 HydrophobicContact CD1-CZ 3.72Å; F17-F36 HydrophobicContact CE1-CE2 4.17Å; F17-F36 AromaticContact CE1-CZ 3.98Å; F17-F36 HydrophobicContact CE1-CZ 3.98Å; E18-F36 HydrophobicContact CB-CD1 3.88Å; E18-F36 HydrophobicContact CB-CE1 4.43Å; E18-F36 HydrophobicContact CG-CB 4.36Å; E18-F36 HydrophobicContact CG-CD1 4.01Å; L21-F36 HydrophobicContact CD1-CB 3.91Å; L21-F36 HydrophobicContact CD1-CD1 3.92Å; L21-F36 HydrophobicContact CD1-CD2 3.46Å; L21-F36 VanDerWaalsContact CD1-CD2 3.46Å; L21-F36 HydrophobicContact CD1-CE1 4.27Å; L21-F36 HydrophobicContact CD1-CE2 3.87Å; L21-F36 HydrophobicContact CD1-CG 3.49Å; L21-F36 VanDerWaalsContact CD1-CG 3.49Å; L21-F36 HydrophobicContact CD1-CZ 4.25Å; F36-Y38 HydrophobicContact CE1-CD2 4.29Å; F36-A41 HydrophobicContact CE1-CB 4.3Å; F36-A41 HydrophobicContact CE2-CB 3.72Å; F36-A41 HydrophobicContact CZ-CB 3.38Å; F36-E258 WeakPolarHBondContact CA-OE1 3.34Å; F36-E258 HydrophobicContact CD2-CG 4.12Å; F36-E258 WeakPolarHBondContact CD2-OE1 3.25Å; F36-E258 HydrophobicContact CE2-CG 4.03Å; F36-A262 HydrophobicContact CD2-CB 4.08Å; F36-A262 HydrophobicContact CE2-CB 3.85Å
37D94.8Very high80.9Confident82 Ų8273 Ų7344%0.43941%0.406SS..  trans-95.897.3175.8-167.3-30000109.9K35 E39 E40 A41 E258K35-D37 PolarHBondContact O-N 3.06Å; D37-E39 VanDerWaalsContact C-N 3.3Å; D37-E39 PolarHBondContact O-N 2.83Å; D37-E39 PolarHBondContact OD1-N 3.02Å; D37-E39 VanDerWaalsContact OD1-N 3.14Å; D37-E40 HydrophobicContact CB-CB 4.07Å; D37-E40 PolarHBondContact O-N 3.44Å; D37-E40 PolarHBondContact OD1-N 2.98Å; D37-E40 VanDerWaalsContact OD1-N 3.1Å; D37-A41 WeakPolarHBondContact O-CB 3.47Å; D37-A41 PolarHBondContact O-N 2.81Å; D37-E258 HydrophobicContact CB-CG 4.35Å; D37-E258 PolarHBondContact N-OE1 3.36Å; D37-E258 WeakPolarHBondContact O-CG 3.46Å
38Y95.4Very high82.4Confident47 Ų4768.3 Ų68.318%0.18438%0.381CS..Hα-helixtrans-58.2-40.4-179.4176.6-95.4000112.9I13 R15 F36 A41 C42I13-Y38 HydrophobicContact CB-CE2 4.28Å; I13-Y38 HydrophobicContact CG2-CD2 4.35Å; I13-Y38 HydrophobicContact CG2-CE2 4.01Å; I13-Y38 WeakPolarHBondContact O-CE2 3.47Å; I13-Y38 PolarHBondContact O-OH 3.21Å; R15-Y38 HydrophobicContact CG-CE1 4.28Å; R15-Y38 HydrophobicContact CG-CE2 3.98Å; F36-Y38 HydrophobicContact CE1-CD2 4.29Å; Y38-A41 PolarHBondContact O-N 3.19Å; Y38-C42 VanDerWaalsContact CZ-SG 3.58Å; Y38-C42 PolarHBondContact O-N 3.35Å; Y38-C42 PolarHBondContact O-SG 3.35Å
39E96.9Very high84Confident114 Ų11466.8 Ų66.853%0.53337%0.373SS..Hα-helixtrans-71.2-41.1-176.9-64-63.8159.200110.4D37 C42 N43D37-E39 VanDerWaalsContact C-N 3.3Å; D37-E39 PolarHBondContact O-N 2.83Å; D37-E39 PolarHBondContact OD1-N 3.02Å; D37-E39 VanDerWaalsContact OD1-N 3.14Å; E39-C42 PolarHBondContact O-N 2.8Å; E39-N43 VanDerWaalsContact O-CG 3.24Å; E39-N43 PolarHBondContact O-N 3.49Å; E39-N43 PolarHBondContact O-ND2 2.74Å
40E97.2Very high86.1Confident61 Ų6167 Ų6729%0.28537%0.367SS..Hα-helixtrans-66.5-39.1174-170.857.3-155.400111.7D37 C42 N43 E44 K47 E258D37-E40 HydrophobicContact CB-CB 4.07Å; D37-E40 PolarHBondContact O-N 3.44Å; D37-E40 PolarHBondContact OD1-N 2.98Å; D37-E40 VanDerWaalsContact OD1-N 3.1Å; E40-C42 VanDerWaalsContact C-N 3.31Å; E40-C42 PolarHBondContact O-N 3.15Å; E40-N43 CarbonylContact O-C 3.51Å; E40-N43 WeakPolarHBondContact O-CB 3.48Å; E40-N43 PolarHBondContact O-N 3.26Å; E40-N43 VanDerWaalsContact O-N 3.12Å; E40-N43 PolarHBondContact OE2-ND2 3.35Å; E40-E44 HydrophobicContact CG-CG 4.33Å; E40-E44 WeakPolarHBondContact O-CB 3.19Å; E40-E44 WeakPolarHBondContact O-CG 3.39Å; E40-E44 PolarHBondContact O-N 3.25Å; E40-K47 IonicContact OE1-NZ 2.81Å; E40-K47 PolarHBondContact OE1-NZ 2.96Å; E40-E258 HydrophobicContact CG-CB 4.47Å
41A97.2Very high88.3Confident0 Ų064.2 Ų64.20%034%0.337CS..Hα-helixtrans-60.9-39.9175.400000112.4I13 F36 D37 Y38 E44 R45 E258 L259I13-A41 VanDerWaalsContact CD1-C 3.46Å; I13-A41 HydrophobicContact CD1-CB 3.77Å; I13-A41 WeakPolarHBondContact CD1-O 3.38Å; F36-A41 HydrophobicContact CE1-CB 4.3Å; F36-A41 HydrophobicContact CE2-CB 3.72Å; F36-A41 HydrophobicContact CZ-CB 3.38Å; D37-A41 WeakPolarHBondContact O-CB 3.47Å; D37-A41 PolarHBondContact O-N 2.81Å; Y38-A41 PolarHBondContact O-N 3.19Å; A41-E44 PolarHBondContact O-N 2.97Å; A41-R45 WeakPolarHBondContact O-CB 3.45Å; A41-R45 PolarHBondContact O-N 2.99Å; A41-E258 HydrophobicContact CB-CG 3.99Å; A41-L259 HydrophobicContact CB-CD2 4.21Å; A41-L259 HydrophobicContact CB-CG 4.38Å
42C97.7Very high90.4Very high28 Ų2858.3 Ų58.319%0.18931%0.312CS..Hα-helixtrans-63.1-42.8172.3-77.30000112.2Y38 E39 E40 R45 E46Y38-C42 VanDerWaalsContact CZ-SG 3.58Å; Y38-C42 PolarHBondContact O-N 3.35Å; Y38-C42 PolarHBondContact O-SG 3.35Å; E39-C42 PolarHBondContact O-N 2.8Å; E40-C42 VanDerWaalsContact C-N 3.31Å; E40-C42 PolarHBondContact O-N 3.15Å; C42-R45 PolarHBondContact O-N 3.49Å; C42-E46 PolarHBondContact O-N 3.34Å
43N98.2Very high92.7Very high79 Ų7953.6 Ų53.642%0.42229%0.289SS..Hα-helixtrans-63.7-41.4175.8-68.9-30000112.1E39 E40 E46 K47E39-N43 VanDerWaalsContact O-CG 3.24Å; E39-N43 PolarHBondContact O-N 3.49Å; E39-N43 PolarHBondContact O-ND2 2.74Å; E40-N43 CarbonylContact O-C 3.51Å; E40-N43 WeakPolarHBondContact O-CB 3.48Å; E40-N43 PolarHBondContact O-N 3.26Å; E40-N43 VanDerWaalsContact O-N 3.12Å; E40-N43 PolarHBondContact OE2-ND2 3.35Å; N43-E46 PolarHBondContact O-N 2.96Å; N43-K47 VanDerWaalsContact O-CG 3.29Å; N43-K47 WeakPolarHBondContact O-CG 3.49Å; N43-K47 PolarHBondContact O-N 2.71Å
44E98.3Very high94.9Very high1 Ų155.9 Ų55.91%0.00528%0.275CS..Hα-helixtrans-62.4-43.6175.3-74.5-178176.600112E40 A41 E46 K47 F48 I256 P257 E258 L259E40-E44 HydrophobicContact CG-CG 4.33Å; E40-E44 WeakPolarHBondContact O-CB 3.19Å; E40-E44 WeakPolarHBondContact O-CG 3.39Å; E40-E44 PolarHBondContact O-N 3.25Å; A41-E44 PolarHBondContact O-N 2.97Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E44-E46 PolarHBondContact O-N 3.02Å; E44-K47 PolarHBondContact O-N 2.9Å; E44-F48 PolarHBondContact O-N 2.99Å; E44-I256 HydrophobicContact CB-CB 4.3Å; E44-I256 HydrophobicContact CB-CG2 3.82Å; E44-I256 VanDerWaalsContact CD-C 3.45Å; E44-I256 HydrophobicContact CG-CB 4.46Å; E44-I256 HydrophobicContact CG-CG2 4.31Å; E44-I256 VanDerWaalsContact OE2-CA 3.28Å; E44-I256 WeakPolarHBondContact OE2-CA 3.29Å; E44-P257 WeakPolarHBondContact OE1-CD 3.44Å; E44-P257 VanDerWaalsContact OE1-CG 3.27Å; E44-P257 WeakPolarHBondContact OE1-CG 3.42Å; E44-P257 VanDerWaalsContact OE1-N 3.12Å; E44-E258 VanDerWaalsContact CD-CB 3.47Å; E44-E258 VanDerWaalsContact OE1-CB 3.25Å; E44-E258 WeakPolarHBondContact OE1-CB 3.49Å; E44-E258 PolarHBondContact OE1-N 3.24Å; E44-E258 WeakPolarHBondContact OE2-CB 3.45Å; E44-E258 PolarHBondContact OE2-N 3.33Å; E44-E258 VanDerWaalsContact OE2-N 3.11Å; E44-L259 HydrophobicContact CB-CD1 3.8Å; E44-L259 HydrophobicContact CB-CG 4.29Å; E44-L259 PolarHBondContact OE2-N 2.93Å
45R97.8Very high96.3Very high22 Ų2254 Ų548%0.08325%0.252CS..Hα-helixtrans-60.4-43.6173.8-173.6-156.265.581.610.6111.2S11 I13 A41 C42 F48 V49 E61 L259S11-R45 WeakPolarHBondContact O-CD 3.44Å; I13-R45 HydrophobicContact CD1-CB 4.23Å; A41-R45 WeakPolarHBondContact O-CB 3.45Å; A41-R45 PolarHBondContact O-N 2.99Å; C42-R45 PolarHBondContact O-N 3.49Å; R45-F48 WeakPolarHBondContact O-CA 3.41Å; R45-F48 WeakPolarHBondContact O-CB 3.29Å; R45-F48 PolarHBondContact O-N 3.34Å; R45-F48 VanDerWaalsContact O-N 3.13Å; R45-V49 WeakPolarHBondContact O-CG2 3.24Å; R45-V49 PolarHBondContact O-N 2.81Å; R45-E61 IonicContact CZ-OE2 3.69Å; R45-E61 IonicContact NH1-OE2 2.92Å; R45-E61 PolarHBondContact NH1-OE2 2.89Å; R45-E61 IonicContact NH2-OE2 3.59Å; R45-L259 HydrophobicContact CB-CD1 4.32Å
46E98Very high96.9Very high80 Ų8049 Ų4937%0.37425%0.247SC..Hα-helixtrans-63.8-42.6178.4-168.958.5-144.700111.7C42 N43 E44 F48 V49 E50 R53C42-E46 PolarHBondContact O-N 3.34Å; N43-E46 PolarHBondContact O-N 2.96Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E44-E46 PolarHBondContact O-N 3.02Å; E46-F48 VanDerWaalsContact C-N 3.25Å; E46-F48 PolarHBondContact O-N 2.91Å; E46-V49 PolarHBondContact O-N 3Å; E46-E50 WeakPolarHBondContact O-CB 3.44Å; E46-E50 PolarHBondContact O-N 3.13Å; E46-R53 IonicContact OE1-NH1 3.85Å
47K98.1Very high97.2Very high99 Ų9948.3 Ų48.343%0.4324%0.244SC..Hα-helixtrans-58.6-38.2172.3-67.5164.7-165.2159.60111.5E40 N43 E44 A51E40-K47 IonicContact OE1-NZ 2.81Å; E40-K47 PolarHBondContact OE1-NZ 2.96Å; N43-K47 VanDerWaalsContact O-CG 3.29Å; N43-K47 WeakPolarHBondContact O-CG 3.49Å; N43-K47 PolarHBondContact O-N 2.71Å; E44-K47 PolarHBondContact O-N 2.9Å; K47-A51 WeakPolarHBondContact O-CB 3.33Å; K47-A51 PolarHBondContact O-N 3.18Å
48F98.3Very high97.3Very high1 Ų149.1 Ų49.10%0.00425%0.248CC..Hα-helixtrans-64.9-48.1175.5174.5-105.7000112.1V10 E44 R45 E46 E50 A51 L52 L222 L229 I254 L266 L269 A270V10-F48 HydrophobicContact CG1-CE1 4.3Å; E44-F48 PolarHBondContact O-N 2.99Å; R45-F48 WeakPolarHBondContact O-CA 3.41Å; R45-F48 WeakPolarHBondContact O-CB 3.29Å; R45-F48 PolarHBondContact O-N 3.34Å; R45-F48 VanDerWaalsContact O-N 3.13Å; E46-F48 VanDerWaalsContact C-N 3.25Å; E46-F48 PolarHBondContact O-N 2.91Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.08Å; F48-A51 WeakPolarHBondContact O-CB 3.19Å; F48-A51 PolarHBondContact O-N 2.86Å; F48-L52 HydrophobicContact CD1-CD1 4.28Å; F48-L52 HydrophobicContact CE1-CD1 3.64Å; F48-L52 HydrophobicContact CE1-CG 4.16Å; F48-L52 HydrophobicContact CE2-CD2 4.06Å; F48-L52 HydrophobicContact CE2-CG 4.35Å; F48-L52 HydrophobicContact CZ-CD1 3.82Å; F48-L52 HydrophobicContact CZ-CD2 3.97Å; F48-L52 HydrophobicContact CZ-CG 4.07Å; F48-L52 WeakPolarHBondContact O-CG 3.36Å; F48-L52 PolarHBondContact O-N 3.38Å; F48-L222 HydrophobicContact CE2-CD1 3.75Å; F48-L222 HydrophobicContact CZ-CD1 3.98Å; F48-L229 HydrophobicContact CD2-CD2 4.15Å; F48-L229 HydrophobicContact CE2-CD2 3.96Å; F48-I254 HydrophobicContact CB-CD1 3.52Å; F48-I254 HydrophobicContact CD2-CD1 3.67Å; F48-I254 HydrophobicContact CG-CD1 4.09Å; F48-L266 HydrophobicContact CD2-CD1 3.47Å; F48-L266 VanDerWaalsContact CD2-CD1 3.47Å; F48-L266 HydrophobicContact CE2-CD1 3.36Å; F48-L266 HydrophobicContact CE2-CG 4.17Å; F48-L269 HydrophobicContact CB-CD1 4.37Å; F48-L269 HydrophobicContact CD1-CB 3.8Å; F48-L269 HydrophobicContact CD1-CD1 3.94Å; F48-L269 HydrophobicContact CD1-CG 4.47Å; F48-L269 HydrophobicContact CD2-CD1 4.09Å; F48-L269 HydrophobicContact CE1-CB 3.34Å; F48-L269 HydrophobicContact CE1-CD1 4.21Å; F48-L269 HydrophobicContact CE1-CG 4.4Å; F48-L269 HydrophobicContact CE2-CB 4.43Å; F48-L269 HydrophobicContact CE2-CD1 4.36Å; F48-L269 HydrophobicContact CG-CB 4.5Å; F48-L269 HydrophobicContact CG-CD1 3.87Å; F48-L269 HydrophobicContact CZ-CB 3.7Å; F48-L269 HydrophobicContact CZ-CD1 4.41Å; F48-A270 HydrophobicContact CE1-CB 3.88Å; F48-A270 HydrophobicContact CZ-CB 3.86Å
49V98.3Very high97.4Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-58.8-45.5176.9169.70000111.3V10 R45 E46 A51 L52 R53 V59V10-V49 HydrophobicContact CG2-CG2 3.96Å; R45-V49 WeakPolarHBondContact O-CG2 3.24Å; R45-V49 PolarHBondContact O-N 2.81Å; E46-V49 PolarHBondContact O-N 3Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.95Å; V49-L52 WeakPolarHBondContact O-CB 3.49Å; V49-L52 PolarHBondContact O-N 2.85Å; V49-L52 VanDerWaalsContact O-N 3.12Å; V49-R53 VanDerWaalsContact CG1-CZ 3.41Å; V49-R53 VanDerWaalsContact CG1-NH1 3.29Å; V49-R53 PolarHBondContact O-N 2.9Å; V49-V59 HydrophobicContact CG1-CB 4.21Å; V49-V59 HydrophobicContact CG1-CG1 3.98Å; V49-V59 HydrophobicContact CG1-CG2 4.32Å; V49-V59 HydrophobicContact CG2-CG1 4.42Å
50E98Very high97.4Very high82 Ų8244.3 Ų44.338%0.38323%0.229SC..Hα-helixtrans-62.4-40.2176.8179.654.2-154.100111.7E46 F48 L52 R53 Q54E46-E50 WeakPolarHBondContact O-CB 3.44Å; E46-E50 PolarHBondContact O-N 3.13Å; F48-E50 VanDerWaalsContact C-N 3.33Å; F48-E50 PolarHBondContact O-N 3.08Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.35Å; E50-R53 PolarHBondContact O-N 3.1Å; E50-Q54 VanDerWaalsContact O-CG 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.42Å; E50-Q54 PolarHBondContact O-N 3.29Å; E50-Q54 WeakPolarHBondContact OE1-CG 3.33Å; E50-Q54 PolarHBondContact OE1-NE2 3.36Å
51A97.7Very high97.4Very high12 Ų1244.3 Ų44.310%0.09923%0.229CC..Hα-helixtrans-61.6-36.7173.700000112.3K47 F48 V49 N55 L229K47-A51 WeakPolarHBondContact O-CB 3.33Å; K47-A51 PolarHBondContact O-N 3.18Å; F48-A51 WeakPolarHBondContact O-CB 3.19Å; F48-A51 PolarHBondContact O-N 2.86Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.95Å; A51-N55 PolarHBondContact O-N 3.22Å; A51-N55 PolarHBondContact O-ND2 2.82Å; A51-L229 HydrophobicContact CB-CD1 4.12Å; A51-L229 HydrophobicContact CB-CD2 4.44Å
52L97.6Very high97.3Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-65.1-45.6173.9-62.3-173.2000111.7A8 V10 F48 V49 E50 Q54 N55 G56 V57 V59 I224 L229 A270 F272A8-L52 HydrophobicContact CB-CD1 3.96Å; V10-L52 HydrophobicContact CG1-CD1 4.23Å; F48-L52 HydrophobicContact CD1-CD1 4.28Å; F48-L52 HydrophobicContact CE1-CD1 3.64Å; F48-L52 HydrophobicContact CE1-CG 4.16Å; F48-L52 HydrophobicContact CE2-CD2 4.06Å; F48-L52 HydrophobicContact CE2-CG 4.35Å; F48-L52 HydrophobicContact CZ-CD1 3.82Å; F48-L52 HydrophobicContact CZ-CD2 3.97Å; F48-L52 HydrophobicContact CZ-CG 4.07Å; F48-L52 WeakPolarHBondContact O-CG 3.36Å; F48-L52 PolarHBondContact O-N 3.38Å; V49-L52 WeakPolarHBondContact O-CB 3.49Å; V49-L52 PolarHBondContact O-N 2.85Å; V49-L52 VanDerWaalsContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.35Å; L52-Q54 VanDerWaalsContact C-N 3.35Å; L52-Q54 PolarHBondContact O-N 3.4Å; L52-N55 CarbonylContact O-C 3.49Å; L52-N55 WeakPolarHBondContact O-CA 3.4Å; L52-N55 PolarHBondContact O-N 2.94Å; L52-G56 PolarHBondContact O-N 3.04Å; L52-V57 HydrophobicContact CB-CB 4.41Å; L52-V57 WeakPolarHBondContact O-CB 3.45Å; L52-V57 PolarHBondContact O-N 3.46Å; L52-V59 HydrophobicContact CB-CG2 3.84Å; L52-V59 HydrophobicContact CD1-CG2 4.31Å; L52-I224 HydrophobicContact CD2-CD1 3.54Å; L52-L229 HydrophobicContact CD2-CD2 4.38Å; L52-A270 HydrophobicContact CD1-CB 4.12Å; L52-F272 HydrophobicContact CD1-CE1 4.25Å; L52-F272 HydrophobicContact CD1-CZ 4.37Å; L52-F272 HydrophobicContact CD2-CE1 3.86Å; L52-F272 HydrophobicContact CD2-CZ 3.85Å
53R97.7Very high97.2Very high91 Ų9150.9 Ų50.934%0.34326%0.258SS..Hα-helixtrans-59.8-43.2177.5-70.3178.2176.2132.85.6112.2E46 V49 E50 N55 G56 V57 V59 E61E46-R53 IonicContact OE1-NH1 3.85Å; V49-R53 VanDerWaalsContact CG1-CZ 3.41Å; V49-R53 VanDerWaalsContact CG1-NH1 3.29Å; V49-R53 PolarHBondContact O-N 2.9Å; E50-R53 PolarHBondContact O-N 3.1Å; R53-N55 PolarHBondContact O-N 3.11Å; R53-G56 PolarHBondContact O-N 3.14Å; R53-V57 WeakPolarHBondContact CA-O 3.45Å; R53-V59 HydrophobicContact CG-CG2 3.89Å; R53-E61 IonicContact CZ-OE1 2.7Å; R53-E61 IonicContact NH1-OE1 2.99Å; R53-E61 IonicContact NH2-OE1 3.99Å; R53-E61 PolarHBondContact NH2-OE1 3.34Å
54Q96.8Very high97Very high136 Ų13648.5 Ų48.564%0.63625%0.249SC*.Hα-helixtrans-61.9-24175.4-71.8173.86.500113.2E50 L52 G56E50-Q54 VanDerWaalsContact O-CG 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.42Å; E50-Q54 PolarHBondContact O-N 3.29Å; E50-Q54 WeakPolarHBondContact OE1-CG 3.33Å; E50-Q54 PolarHBondContact OE1-NE2 3.36Å; L52-Q54 VanDerWaalsContact C-N 3.35Å; L52-Q54 PolarHBondContact O-N 3.4Å; Q54-G56 VanDerWaalsContact C-N 3.3Å
55N95.3Very high96.8Very high18 Ų1849.5 Ų49.510%0.09625%0.254CS..THydrogen-bonded Turntrans-92.316.9175-74.9-69.2000113.5A51 L52 R53 I224 N225 H227A51-N55 PolarHBondContact O-N 3.22Å; A51-N55 PolarHBondContact O-ND2 2.82Å; L52-N55 CarbonylContact O-C 3.49Å; L52-N55 WeakPolarHBondContact O-CA 3.4Å; L52-N55 PolarHBondContact O-N 2.94Å; R53-N55 PolarHBondContact O-N 3.11Å; N55-I224 HydrophobicContact CB-CG2 4.28Å; N55-N225 PolarHBondContact O-ND2 3.28Å; N55-H227 WeakPolarHBondContact OD1-CB 3.45Å; N55-H227 PolarHBondContact OD1-CD2 3.24Å; N55-H227 PolarHBondContact OD1-CE1 3.21Å; N55-H227 PolarHBondContact OD1-ND1 2.98Å
56G95.4Very high96.6Very high57 Ų5752.9 Ų52.959%0.58827%0.271SS*.THydrogen-bonded Turntrans76.522.8172.700000114.3L52 R53 Q54L52-G56 PolarHBondContact O-N 3.04Å; R53-G56 PolarHBondContact O-N 3.14Å; Q54-G56 VanDerWaalsContact C-N 3.3Å
57V96.6Very high96.4Very high5 Ų557.9 Ų57.93%0.0329%0.287CS..  trans-101.5129177-176.70000109.7Y7 A8 L52 R53 I224Y7-V57 VanDerWaalsContact C-CG1 3.45Å; A8-V57 HydrophobicContact CB-CG1 3.56Å; L52-V57 HydrophobicContact CB-CB 4.41Å; L52-V57 WeakPolarHBondContact O-CB 3.45Å; L52-V57 PolarHBondContact O-N 3.46Å; R53-V57 WeakPolarHBondContact CA-O 3.45Å; V57-I224 HydrophobicContact CG2-CG2 3.47Å; V57-I224 VanDerWaalsContact CG2-CG2 3.47Å
58D96.2Very high96.2Very high99 Ų9954.6 Ų54.653%0.52927%0.272SS..EExtended strand (participates in β ladder)trans-78.7126.5169.1-168.911.1000109.7E6 Y7 A8E6-D58 WeakPolarHBondContact O-CB 3.44Å; E6-D58 PolarHBondContact O-N 2.78Å; Y7-D58 CarbonylContact C-O 3.48Å; Y7-D58 WeakPolarHBondContact CA-O 3.34Å; Y7-D58 HydrophobicContact CD1-CB 3.85Å; Y7-D58 HydrophobicContact CE1-CB 4.08Å; A8-D58 PolarHBondContact N-O 3.26Å
59V97.4Very high96Very high11 Ų1155.4 Ų55.47%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-108116-169.5-174.70000110.2A8 V10 V49 L52 R53 E61A8-V59 WeakPolarHBondContact O-CA 3.45Å; V10-V59 HydrophobicContact CB-CG1 4.39Å; V10-V59 HydrophobicContact CG1-CG1 3.95Å; V10-V59 HydrophobicContact CG2-CG1 3.54Å; V49-V59 HydrophobicContact CG1-CB 4.21Å; V49-V59 HydrophobicContact CG1-CG1 3.98Å; V49-V59 HydrophobicContact CG1-CG2 4.32Å; V49-V59 HydrophobicContact CG2-CG1 4.42Å; L52-V59 HydrophobicContact CB-CG2 3.84Å; L52-V59 HydrophobicContact CD1-CG2 4.31Å; R53-V59 HydrophobicContact CG-CG2 3.89Å; V59-E61 HydrophobicContact CG1-CG 3.94Å
60L96.8Very high95.8Very high48 Ų4855.7 Ų55.725%0.25128%0.279SS..EExtended strand (participates in β ladder)trans-88.7105171-178.261.2000109.5A8 V9 V10 T105 E109A8-L60 PolarHBondContact O-N 2.71Å; V9-L60 WeakPolarHBondContact CA-O 3.4Å; V9-L60 HydrophobicContact CG2-CB 4.44Å; V9-L60 HydrophobicContact CG2-CD2 4.23Å; V10-L60 PolarHBondContact N-O 3.1Å; L60-T105 HydrophobicContact CD2-CG2 3.3Å; L60-T105 HydrophobicContact CG-CG2 4.19Å; L60-E109 HydrophobicContact CD2-CB 3.63Å; L60-E109 HydrophobicContact CD2-CG 3.85Å
61E97.3Very high95.6Very high61 Ų6152.2 Ų52.229%0.28526%0.264SS..EExtended strand (participates in β ladder)trans-90.6121.1-179.8-57.4-168-119.400110.8V10 R45 R53 V59V10-E61 HydrophobicContact CG2-CB 4.16Å; V10-E61 HydrophobicContact CG2-CG 3.69Å; R45-E61 IonicContact CZ-OE2 3.69Å; R45-E61 IonicContact NH1-OE2 2.92Å; R45-E61 PolarHBondContact NH1-OE2 2.89Å; R45-E61 IonicContact NH2-OE2 3.59Å; R53-E61 IonicContact CZ-OE1 2.7Å; R53-E61 IonicContact NH1-OE1 2.99Å; R53-E61 IonicContact NH2-OE1 3.99Å; R53-E61 PolarHBondContact NH2-OE1 3.34Å; V59-E61 HydrophobicContact CG1-CG 3.94Å
62M96.5Very high95.5Very high25 Ų2551.7 Ų51.712%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-89.5139.6172.9-65.3177.154.400110.6V9 V10 Q12 L101 I102 T105V9-M62 HydrophobicContact CG1-CG 4.12Å; V9-M62 HydrophobicContact CG1-SD 3.6Å; V10-M62 PolarHBondContact O-N 3.3Å; Q12-M62 PolarHBondContact N-O 3.43Å; M62-L101 HydrophobicContact CE-CB 3.67Å; M62-I102 HydrophobicContact CE-CD1 4.14Å; M62-I102 HydrophobicContact SD-CD1 3.49Å; M62-I102 WeakPolarHBondContact SD-CD1 3.34Å; M62-I102 HydrophobicContact SD-CG1 4.45Å; M62-T105 HydrophobicContact CG-CG2 4.33Å; M62-T105 HydrophobicContact SD-CG2 3.99Å
63E95.6Very high95.4Very high142 Ų14252.6 Ų52.666%0.66426%0.264SS*.PPolyproline II helixtrans-59.9147.9169.9-62.7-58.7147.100110.8Q12Q12-E63 PolarHBondContact NE2-OE2 3.11Å
64A94.4Very high95.3Very high29 Ų2948.3 Ų48.324%0.2425%0.247CC..PPolyproline II helixtrans-65.6137.5175.300000110.5Q12 P14Q12-A64 HydrophobicContact CB-CB 3.85Å; P14-A64 HydrophobicContact CB-CB 4.05Å
65D93Very high95.3Very high22 Ų2242.5 Ų42.512%0.11822%0.221CC..  trans-109.6106171.3-167.1-25.8000109.8R67 H68 L101D65-R67 PolarHBondContact O-N 3.42Å; D65-R67 VanDerWaalsContact OD1-CB 3.31Å; D65-R67 WeakPolarHBondContact OD1-CB 3.26Å; D65-R67 IonicContact OD1-CZ 3.59Å; D65-R67 PolarHBondContact OD1-N 3.36Å; D65-R67 IonicContact OD1-NE 3.06Å; D65-R67 PolarHBondContact OD1-NE 3Å; D65-R67 IonicContact OD1-NH2 2.74Å; D65-R67 IonicContact OD2-CZ 3.79Å; D65-R67 IonicContact OD2-NE 3.28Å; D65-R67 PolarHBondContact OD2-NE 3.07Å; D65-R67 IonicContact OD2-NH2 2.7Å; D65-R67 PolarHBondContact OD2-NH2 3.03Å; D65-H68 HydrophobicContact CB-CB 4.38Å; D65-H68 CarbonylContact O-C 3.59Å; D65-H68 WeakPolarHBondContact O-CA 3.23Å; D65-H68 PolarHBondContact O-N 3.38Å; D65-H68 IonicContact OD2-CD2 2.82Å; D65-H68 PolarHBondContact OD2-CD2 3.44Å; D65-L101 HydrophobicContact CB-CD1 4.14Å
66E94.7Very high95.4Very high92 Ų9241.8 Ų41.843%0.4322%0.217SC..THydrogen-bonded Turntrans-59.4-21.1-178.6-66-63.3159.400113.5R15 S16 H68R15-E66 PolarHBondContact N-OE1 3.03Å; R15-E66 PolarHBondContact N-OE2 3Å; S16-E66 WeakPolarHBondContact CB-O 3.24Å; S16-E66 VanDerWaalsContact CB-OE2 3.29Å; S16-E66 WeakPolarHBondContact CB-OE2 3.48Å; S16-E66 PolarHBondContact N-OE2 2.99Å; S16-E66 PolarHBondContact OG-O 2.76Å; S16-E66 PolarHBondContact OG-OE2 3.12Å; E66-H68 PolarHBondContact O-N 2.7Å
67R93.3Very high95.4Very high186 Ų18639.1 Ų39.170%0.70219%0.189SC*.THydrogen-bonded Turntrans-75.8-15.5175.4-58.1169.4-65.6179.63.4112.6D65D65-R67 PolarHBondContact O-N 3.42Å; D65-R67 VanDerWaalsContact OD1-CB 3.31Å; D65-R67 WeakPolarHBondContact OD1-CB 3.26Å; D65-R67 IonicContact OD1-CZ 3.59Å; D65-R67 PolarHBondContact OD1-N 3.36Å; D65-R67 IonicContact OD1-NE 3.06Å; D65-R67 PolarHBondContact OD1-NE 3Å; D65-R67 IonicContact OD1-NH2 2.74Å; D65-R67 IonicContact OD2-CZ 3.79Å; D65-R67 IonicContact OD2-NE 3.28Å; D65-R67 PolarHBondContact OD2-NE 3.07Å; D65-R67 IonicContact OD2-NH2 2.7Å; D65-R67 PolarHBondContact OD2-NH2 3.03Å
68H93.7Very high95.5Very high29 Ų2938.9 Ų38.913%0.13419%0.188CC..  trans-127.578.5-175.1-62.4-49.1000109.4D65 E66 E70 C71 H94 G97 E98D65-H68 HydrophobicContact CB-CB 4.38Å; D65-H68 CarbonylContact O-C 3.59Å; D65-H68 WeakPolarHBondContact O-CA 3.23Å; D65-H68 PolarHBondContact O-N 3.38Å; D65-H68 IonicContact OD2-CD2 2.82Å; D65-H68 PolarHBondContact OD2-CD2 3.44Å; E66-H68 PolarHBondContact O-N 2.7Å; H68-E70 PolarHBondContact O-N 2.94Å; H68-C71 HydrophobicContact CB-CB 4.21Å; H68-C71 VanDerWaalsContact O-CB 3.28Å; H68-C71 WeakPolarHBondContact O-CB 3.32Å; H68-C71 PolarHBondContact O-N 3.41Å; H68-C71 PolarHBondContact O-SG 3.38Å; H68-H94 PolarHBondContact ND1-O 3.06Å; H68-G97 VanDerWaalsContact CE1-CA 3.49Å; H68-G97 WeakPolarHBondContact CE1-CA 3.23Å; H68-G97 WeakPolarHBondContact NE2-CA 3.46Å; H68-E98 HydrophobicContact CB-CG 3.51Å
69P93.1Very high95.5Very high18 Ų1834.8 Ų34.812%0.11717%0.166CC..THydrogen-bonded Turntrans-60.2-24.6-170.422.4-33.7000113.2P14 F17 F20P14-P69 WeakPolarHBondContact CG-O 3.44Å; F17-P69 WeakPolarHBondContact CD2-O 3.32Å; F20-P69 HydrophobicContact CB-CB 3.59Å; F20-P69 HydrophobicContact CB-CG 3.92Å; F20-P69 HydrophobicContact CD2-CB 4.47Å; F20-P69 HydrophobicContact CD2-CG 3.97Å; F20-P69 HydrophobicContact CG-CB 4.01Å; F20-P69 HydrophobicContact CG-CG 4.02Å
70E93.8Very high95.5Very high6 Ų635.7 Ų35.73%0.02817%0.17CC..THydrogen-bonded Turntrans-93.49.1-178.7-58.5-17082.300113.4F20 H68 V72 K73 R92 H94F20-E70 HydrophobicContact CD1-CG 3.92Å; F20-E70 HydrophobicContact CD2-CG 4.44Å; F20-E70 VanDerWaalsContact CE1-CD 3.43Å; F20-E70 HydrophobicContact CE1-CG 3.46Å; F20-E70 VanDerWaalsContact CE1-CG 3.46Å; F20-E70 HydrophobicContact CE2-CG 4.02Å; F20-E70 WeakPolarHBondContact CE2-OE2 3.22Å; F20-E70 HydrophobicContact CG-CG 4.38Å; F20-E70 HydrophobicContact CZ-CG 3.51Å; F20-E70 WeakPolarHBondContact CZ-OE1 3.47Å; F20-E70 WeakPolarHBondContact CZ-OE2 3.41Å; H68-E70 PolarHBondContact O-N 2.94Å; E70-V72 PolarHBondContact O-N 2.94Å; E70-K73 HydrophobicContact CB-CD 4.42Å; E70-K73 WeakPolarHBondContact O-CB 3.32Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-K73 IonicContact OE1-NZ 3.62Å; E70-K73 PolarHBondContact OE1-NZ 3.11Å; E70-R92 IonicContact OE2-NH1 3.88Å; E70-H94 IonicContact OE2-CE1 2.66Å; E70-H94 PolarHBondContact OE2-CE1 3.1Å; E70-H94 IonicContact OE2-NE2 3.4Å; E70-H94 PolarHBondContact OE2-NE2 2.82Å
71C94.7Very high95.4Very high9 Ų933.7 Ų33.76%0.06116%0.16CC..THydrogen-bonded Turntrans-59.6-19.9-175.261.60000114.5S11 P14 H68 K73 V74 E98S11-C71 WeakPolarHBondContact CB-O 3.46Å; P14-C71 VanDerWaalsContact CD-SG 3.59Å; H68-C71 HydrophobicContact CB-CB 4.21Å; H68-C71 VanDerWaalsContact O-CB 3.28Å; H68-C71 WeakPolarHBondContact O-CB 3.32Å; H68-C71 PolarHBondContact O-N 3.41Å; H68-C71 PolarHBondContact O-SG 3.38Å; C71-K73 PolarHBondContact O-N 2.8Å; C71-V74 VanDerWaalsContact O-CG1 3.27Å; C71-V74 WeakPolarHBondContact O-CG1 3.5Å; C71-E98 HydrophobicContact CB-CG 4Å; C71-E98 PolarHBondContact N-OE1 3.33Å
72V95.8Very high95Very high1 Ų135.8 Ų35.81%0.00617%0.173CC..THydrogen-bonded Turntrans-59.9-27.717067.30000113.1I13 F17 E70 V74 V264 L269I13-V72 HydrophobicContact CG1-CB 4.29Å; I13-V72 HydrophobicContact CG1-CG2 3.82Å; F17-V72 HydrophobicContact CE2-CG1 4.39Å; F17-V72 HydrophobicContact CZ-CG1 4.31Å; E70-V72 PolarHBondContact O-N 2.94Å; V72-V74 PolarHBondContact O-N 3.38Å; V72-V264 HydrophobicContact CG1-CG2 4.14Å; V72-L269 HydrophobicContact CG2-CD2 3.83Å
73K95.4Very high94.7Very high20 Ų2035.4 Ų35.49%0.08718%0.175CC..  trans-85.859.1-179.9-59.4174.5-1721700111.2E70 C71 D75 D76 R95 V264 K268E70-K73 HydrophobicContact CB-CD 4.42Å; E70-K73 WeakPolarHBondContact O-CB 3.32Å; E70-K73 PolarHBondContact O-N 2.98Å; E70-K73 IonicContact OE1-NZ 3.62Å; E70-K73 PolarHBondContact OE1-NZ 3.11Å; C71-K73 PolarHBondContact O-N 2.8Å; K73-D75 VanDerWaalsContact C-N 3.29Å; K73-D75 PolarHBondContact O-N 2.84Å; K73-D76 PolarHBondContact O-N 3.44Å; K73-R95 PolarHBondContact O-NH2 2.85Å; K73-V264 HydrophobicContact CG-CG1 4.33Å; K73-V264 HydrophobicContact CG-CG2 4.08Å; K73-K268 CarbonylContact C-O 3.57Å; K73-K268 WeakPolarHBondContact CA-O 3.44Å
74V96.1Very high94.7Very high1 Ų129.7 Ų29.71%0.00615%0.15CC..G310 helixtrans-61.7-32.4-173.2-63.80000113.5C71 V72 D76 T77 I102 K268 L269 A270 L271C71-V74 VanDerWaalsContact O-CG1 3.27Å; C71-V74 WeakPolarHBondContact O-CG1 3.5Å; V72-V74 PolarHBondContact O-N 3.38Å; V74-D76 PolarHBondContact O-N 2.82Å; V74-D76 VanDerWaalsContact O-N 3.16Å; V74-T77 WeakPolarHBondContact O-CB 3.49Å; V74-T77 PolarHBondContact O-N 2.86Å; V74-T77 PolarHBondContact O-OG1 2.94Å; V74-I102 HydrophobicContact CB-CD1 4.28Å; V74-I102 HydrophobicContact CG1-CD1 4.11Å; V74-K268 PolarHBondContact N-O 3.02Å; V74-K268 VanDerWaalsContact N-O 3.09Å; V74-L269 VanDerWaalsContact CG2-C 3.4Å; V74-L269 VanDerWaalsContact CG2-O 3.3Å; V74-L269 WeakPolarHBondContact CG2-O 3.33Å; V74-A270 VanDerWaalsContact CG2-CA 3.41Å; V74-L271 HydrophobicContact CB-CD1 4.37Å; V74-L271 HydrophobicContact CB-CG 4.28Å; V74-L271 HydrophobicContact CG2-CG 4.31Å; V74-L271 WeakPolarHBondContact O-CD1 3.38Å; V74-L271 WeakPolarHBondContact O-CG 3.32Å
75D96.5Very high94.8Very high14 Ų1428.3 Ų28.38%0.07514%0.139CC..G310 helixtrans-57.8-32-179.4-174.257.2000112.2K73 T77 A78 G126 S127 K174 S267 K268K73-D75 VanDerWaalsContact C-N 3.29Å; K73-D75 PolarHBondContact O-N 2.84Å; D75-T77 PolarHBondContact O-N 3.35Å; D75-A78 VanDerWaalsContact O-O 3.11Å; D75-G126 VanDerWaalsContact O-CA 3.24Å; D75-G126 WeakPolarHBondContact O-CA 3.25Å; D75-G126 PolarHBondContact O-N 2.81Å; D75-S127 WeakPolarHBondContact OD2-CA 2.99Å; D75-S127 PolarHBondContact OD2-N 3.47Å; D75-K174 IonicContact OD1-NZ 3.93Å; D75-K174 PolarHBondContact OD1-NZ 2.89Å; D75-K174 IonicContact OD2-NZ 2.98Å; D75-K174 PolarHBondContact OD2-NZ 3.09Å; D75-S267 VanDerWaalsContact CB-O 3.22Å; D75-S267 WeakPolarHBondContact CB-O 3.28Å; D75-S267 VanDerWaalsContact CG-O 3.3Å; D75-K268 PolarHBondContact N-O 3.43Å
76D96.1Very high95Very high2 Ų227.3 Ų27.31%0.01113%0.133CC..G310 helixtrans-72-12.1-178.6-66.1-30.2000113.3K73 V74 C88 R95 E125 S127K73-D76 PolarHBondContact O-N 3.44Å; V74-D76 PolarHBondContact O-N 2.82Å; V74-D76 VanDerWaalsContact O-N 3.16Å; D76-C88 WeakPolarHBondContact O-CB 3.14Å; D76-R95 IonicContact OD2-CZ 3.43Å; D76-R95 IonicContact OD2-NH1 3.4Å; D76-R95 PolarHBondContact OD2-NH1 3.39Å; D76-E125 HydrophobicContact CB-CB 3.98Å; D76-E125 HydrophobicContact CB-CG 4.09Å; D76-S127 WeakPolarHBondContact OD1-CB 3.27Å; D76-S127 PolarHBondContact OD1-N 2.86Å; D76-S127 PolarHBondContact OD1-OG 3.01Å
77T96.6Very high95.2Very high1 Ų123 Ų231%0.00611%0.113CC..G310 helixtrans-91.6-20.6-172.768.80000114.1V74 D75 C88 E98 V99 I102V74-T77 WeakPolarHBondContact O-CB 3.49Å; V74-T77 PolarHBondContact O-N 2.86Å; V74-T77 PolarHBondContact O-OG1 2.94Å; D75-T77 PolarHBondContact O-N 3.35Å; T77-C88 WeakPolarHBondContact O-CB 3.49Å; T77-C88 PolarHBondContact O-N 3.43Å; T77-E98 HydrophobicContact CG2-CB 3.94Å; T77-V99 HydrophobicContact CG2-CG2 4.42Å; T77-I102 HydrophobicContact CG2-CG1 4.31Å; T77-I102 WeakPolarHBondContact OG1-CG1 3.41Å
78A97.6Very high95.3Very high0 Ų014.3 Ų14.30%08%0.081CC..EExtended strand (participates in β ladder)trans-156156179.100000112.3D75 L86 M87 I102 L106 L271D75-A78 VanDerWaalsContact O-O 3.11Å; A78-L86 CarbonylContact C-O 3.6Å; A78-L86 VanDerWaalsContact CA-O 3.22Å; A78-L86 WeakPolarHBondContact CA-O 3.18Å; A78-M87 HydrophobicContact CB-CE 4.09Å; A78-M87 HydrophobicContact CB-SD 4.24Å; A78-I102 HydrophobicContact CB-CG2 4.33Å; A78-L106 HydrophobicContact CB-CD1 4.22Å; A78-L271 HydrophobicContact CB-CD1 4.05Å; A78-L271 HydrophobicContact CB-CD2 4.23Å; A78-L271 WeakPolarHBondContact O-CD2 3.28Å
79V97.8Very high95.4Very high14 Ų1414.6 Ų14.69%0.0858%0.083CC..EExtended strand (participates in β ladder)trans-114.4122.5166.5177.30000108I81 A85 L86 V129 F156V79-I81 HydrophobicContact CG1-CD1 4.16Å; V79-I81 HydrophobicContact CG1-CG1 4.18Å; V79-A85 CarbonylContact O-C 3.35Å; V79-A85 WeakPolarHBondContact O-CA 3.49Å; V79-L86 HydrophobicContact CB-CB 4.46Å; V79-L86 PolarHBondContact N-O 2.95Å; V79-L86 PolarHBondContact O-N 3.31Å; V79-V129 HydrophobicContact CG1-CG1 3.92Å; V79-V129 HydrophobicContact CG2-CB 3.93Å; V79-V129 HydrophobicContact CG2-CG1 4.1Å; V79-V129 HydrophobicContact CG2-CG2 3.89Å; V79-F156 HydrophobicContact CB-CE2 4.24Å; V79-F156 HydrophobicContact CB-CZ 4.45Å; V79-F156 HydrophobicContact CG1-CE2 3.75Å; V79-F156 HydrophobicContact CG1-CZ 4.07Å; V79-F156 WeakPolarHBondContact O-CZ 3.38Å
80I96.8Very high95.3Very high29 Ų2913.8 Ų13.815%0.1498%0.078CC..EExtended strand (participates in β ladder)trans-114.5119.4-176.7-50.6-179.8000109.8T84 A85 L106 I112 L271I80-T84 WeakPolarHBondContact CA-O 3.18Å; I80-A85 HydrophobicContact CG1-CB 3.98Å; I80-L106 HydrophobicContact CD1-CD1 3.91Å; I80-L106 HydrophobicContact CD1-CD2 3.77Å; I80-L106 HydrophobicContact CG1-CD1 4.46Å; I80-I112 HydrophobicContact CD1-CD1 4.42Å; I80-I112 HydrophobicContact CG2-CD1 4.4Å; I80-L271 HydrophobicContact CD1-CB 4.11Å
81I94.9Very high94.9Very high6 Ų619.5 Ų19.53%0.03110%0.1CC..EExtended strand (participates in β ladder)trans-138.8129.3175.8-53.4177000108.4V79 G83 T84 F131 I136 F156 Y159V79-I81 HydrophobicContact CG1-CD1 4.16Å; V79-I81 HydrophobicContact CG1-CG1 4.18Å; I81-G83 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 2.86Å; I81-G83 VanDerWaalsContact O-N 3.11Å; I81-T84 PolarHBondContact N-O 2.83Å; I81-T84 PolarHBondContact O-N 3.03Å; I81-T84 VanDerWaalsContact O-O 3.13Å; I81-F131 HydrophobicContact CD1-CB 4.1Å; I81-F131 HydrophobicContact CD1-CD2 3.96Å; I81-F131 HydrophobicContact CD1-CG 4Å; I81-F131 HydrophobicContact CG1-CG 4.35Å; I81-F131 HydrophobicContact CG2-CD1 4.49Å; I81-F131 HydrophobicContact CG2-CE1 4.16Å; I81-F131 HydrophobicContact CG2-CE2 4.19Å; I81-F131 HydrophobicContact CG2-CZ 4Å; I81-I136 HydrophobicContact CD1-CD1 3.52Å; I81-I136 HydrophobicContact CD1-CG1 3.91Å; I81-F156 HydrophobicContact CB-CD1 3.79Å; I81-F156 HydrophobicContact CB-CE1 3.67Å; I81-F156 HydrophobicContact CB-CG 4.43Å; I81-F156 HydrophobicContact CB-CZ 4.22Å; I81-F156 HydrophobicContact CD1-CD1 4.24Å; I81-F156 HydrophobicContact CD1-CD2 3.94Å; I81-F156 HydrophobicContact CD1-CE1 4.37Å; I81-F156 HydrophobicContact CD1-CE2 4.09Å; I81-F156 HydrophobicContact CD1-CG 4.02Å; I81-F156 HydrophobicContact CD1-CZ 4.3Å; I81-F156 HydrophobicContact CG1-CD1 4.36Å; I81-F156 HydrophobicContact CG1-CE1 4.13Å; I81-F156 HydrophobicContact CG1-CE2 4.45Å; I81-F156 HydrophobicContact CG1-CZ 4.18Å; I81-Y159 HydrophobicContact CG2-CD2 3.99Å; I81-Y159 HydrophobicContact CG2-CE2 3.43Å; I81-Y159 VanDerWaalsContact CG2-CE2 3.43Å
82N89.1Confident94.4Very high106 Ų10621.1 Ų21.157%0.56711%0.105SC*.THydrogen-bonded Turntrans45.943174.5-67.2-14.4000116.2T84 Y159N82-T84 VanDerWaalsContact C-N 3.29Å; N82-T84 PolarHBondContact O-N 3.19Å; N82-Y159 PolarHBondContact ND2-OH 3.38Å
83G90.2Very high93.7Very high16 Ų1626.3 Ų26.317%0.16514%0.14CC..THydrogen-bonded Turntrans7910.1178.600000115.9I81 I112 K113I81-G83 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 2.86Å; I81-G83 VanDerWaalsContact O-N 3.11Å; G83-I112 WeakPolarHBondContact O-CG2 3.4Å; G83-K113 WeakPolarHBondContact O-CB 3.17Å; G83-K113 PolarHBondContact O-N 3.48Å; G83-K113 VanDerWaalsContact O-N 3.1Å
84T94.8Very high93.2Very high22 Ų2228.8 Ų28.814%0.13515%0.152CC..EExtended strand (participates in β ladder)trans-114.9130.9167.4-58.30000109.3I80 I81 N82 K113 V115 F156I80-T84 WeakPolarHBondContact CA-O 3.18Å; I81-T84 PolarHBondContact N-O 2.83Å; I81-T84 PolarHBondContact O-N 3.03Å; I81-T84 VanDerWaalsContact O-O 3.13Å; N82-T84 VanDerWaalsContact C-N 3.29Å; N82-T84 PolarHBondContact O-N 3.19Å; T84-K113 CarbonylContact C-O 3.5Å; T84-K113 WeakPolarHBondContact CA-O 3.21Å; T84-V115 HydrophobicContact CG2-CB 4.38Å; T84-V115 HydrophobicContact CG2-CG2 3.48Å; T84-V115 VanDerWaalsContact CG2-CG2 3.48Å; T84-F156 HydrophobicContact CG2-CE1 4.03Å
85A97Very high93Very high0 Ų028.9 Ų28.90%015%0.152CC..EExtended strand (participates in β ladder)trans-110.6116.6172.200000109.4V79 I80 L106 I112 K113 I114 V115V79-A85 CarbonylContact O-C 3.35Å; V79-A85 WeakPolarHBondContact O-CA 3.49Å; I80-A85 HydrophobicContact CG1-CB 3.98Å; A85-L106 HydrophobicContact CB-CD1 3.82Å; A85-I112 HydrophobicContact CB-CG2 3.62Å; A85-K113 PolarHBondContact N-O 2.96Å; A85-I114 HydrophobicContact CB-CD1 4.07Å; A85-V115 PolarHBondContact O-N 3.13Å
86L97.6Very high92.8Very high1 Ų131.1 Ų31.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-81.7119.4164.5173.863.2000108.1A78 V79 C88 V115 L117 V152 A155 F156A78-L86 CarbonylContact C-O 3.6Å; A78-L86 VanDerWaalsContact CA-O 3.22Å; A78-L86 WeakPolarHBondContact CA-O 3.18Å; V79-L86 HydrophobicContact CB-CB 4.46Å; V79-L86 PolarHBondContact N-O 2.95Å; V79-L86 PolarHBondContact O-N 3.31Å; L86-C88 PolarHBondContact O-N 3.26Å; L86-V115 WeakPolarHBondContact CA-O 3.22Å; L86-V115 HydrophobicContact CD1-CB 4.39Å; L86-V115 HydrophobicContact CD1-CG1 3.99Å; L86-L117 HydrophobicContact CD1-CD2 4.04Å; L86-L117 HydrophobicContact CD1-CG 4.27Å; L86-L117 HydrophobicContact CD2-CD2 4.46Å; L86-V152 HydrophobicContact CD2-CB 4.32Å; L86-V152 HydrophobicContact CD2-CG2 3.83Å; L86-A155 HydrophobicContact CB-CB 4.02Å; L86-A155 HydrophobicContact CD1-CB 4.1Å; L86-A155 HydrophobicContact CD2-CB 3.97Å; L86-A155 HydrophobicContact CG-CB 4.26Å; L86-F156 HydrophobicContact CB-CE2 3.99Å; L86-F156 HydrophobicContact CB-CZ 3.94Å; L86-F156 HydrophobicContact CD2-CE2 4.46Å
87M97.5Very high92.6Very high2 Ų231.7 Ų31.71%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-75.3125.6173.5-56.2-51.7-50.100109.5A78 V99 I102 R103 L106 I114 V115 L117A78-M87 HydrophobicContact CB-CE 4.09Å; A78-M87 HydrophobicContact CB-SD 4.24Å; M87-V99 HydrophobicContact CB-CG1 4.03Å; M87-V99 HydrophobicContact CE-CG1 3.65Å; M87-V99 WeakPolarHBondContact CE-O 3.45Å; M87-I102 HydrophobicContact CE-CB 4.35Å; M87-I102 HydrophobicContact CE-CG2 4.06Å; M87-R103 HydrophobicContact CE-CB 3.79Å; M87-R103 HydrophobicContact CG-CB 4.44Å; M87-R103 HydrophobicContact CG-CG 4.34Å; M87-R103 HydrophobicContact SD-CB 4.05Å; M87-R103 HydrophobicContact SD-CG 4.31Å; M87-L106 HydrophobicContact SD-CD1 4.38Å; M87-I114 HydrophobicContact CG-CG2 3.57Å; M87-I114 HydrophobicContact SD-CD1 4.25Å; M87-I114 HydrophobicContact SD-CG2 4.13Å; M87-V115 PolarHBondContact N-O 3.4Å; M87-L117 WeakPolarHBondContact O-CD1 3.41Å; M87-L117 WeakPolarHBondContact O-CG 3.39Å
88C96.8Very high92.6Very high4 Ų431.9 Ų31.93%0.02717%0.17CC..PPolyproline II helixtrans-75.5164.5-178.7-70.90000111.8D76 T77 L86 V124D76-C88 WeakPolarHBondContact O-CB 3.14Å; T77-C88 WeakPolarHBondContact O-CB 3.49Å; T77-C88 PolarHBondContact O-N 3.43Å; L86-C88 PolarHBondContact O-N 3.26Å; C88-V124 HydrophobicContact CB-CG1 4.28Å; C88-V124 VanDerWaalsContact CB-O 3.26Å; C88-V124 WeakPolarHBondContact CB-O 3.28Å
89N95.3Very high92.5Very high34 Ų3431.9 Ų31.918%0.18217%0.17CC..BIsolated β-bridgetrans-123.885.8168.8177.725.7000106.8Q96 L117 E120 A122 Q123 V124N89-Q96 PolarHBondContact OD1-NE2 2.95Å; N89-L117 HydrophobicContact CB-CD1 3.23Å; N89-L117 VanDerWaalsContact N-CD1 3.31Å; N89-E120 PolarHBondContact ND2-O 3Å; N89-A122 WeakPolarHBondContact CB-O 3.48Å; N89-A122 PolarHBondContact ND2-O 3Å; N89-Q123 WeakPolarHBondContact O-CA 3.39Å; N89-V124 CarbonylContact C-O 3.51Å; N89-V124 PolarHBondContact N-O 3.31Å; N89-V124 PolarHBondContact O-N 3.11Å
90P91.8Very high92.3Very high1 Ų135.3 Ų35.31%0.00619%0.188CC..  trans-54.9146.6179.5-25.834.8000111R92 R95 V99 E125P90-R92 PolarHBondContact O-N 3.06Å; P90-R95 HydrophobicContact CB-CB 3.99Å; P90-R95 HydrophobicContact CG-CB 4.11Å; P90-V99 HydrophobicContact CG-CG2 3.94Å; P90-E125 HydrophobicContact CB-CG 4.14Å
91Y85.1Confident92.3Very high126 Ų12636.9 Ų36.949%0.49420%0.196SC..SBendtrans-55-30.6-177.4170.4-97.3000112.9Q123 A142Y91-Q123 VanDerWaalsContact CD2-NE2 3.27Å; Y91-A142 WeakPolarHBondContact CD2-O 3.44Å
92R84.1Confident92.3Very high44 Ų4436.8 Ų36.817%0.16620%0.196CC..SBendtrans-95.2115.6179.3-54.8-175.7-174.3-170.1-9.5111F20 D25 E70 P90 H94 R95F20-R92 VanDerWaalsContact CZ-NH1 3.29Å; D25-R92 PolarHBondContact O-NH1 3.15Å; D25-R92 PolarHBondContact O-NH2 3.04Å; E70-R92 IonicContact OE2-NH1 3.88Å; P90-R92 PolarHBondContact O-N 3.06Å; R92-H94 WeakPolarHBondContact CB-ND1 3.3Å; R92-H94 PolarHBondContact O-N 3.48Å; R92-H94 VanDerWaalsContact O-N 3.13Å; R92-R95 HydrophobicContact CB-CG 4.29Å; R92-R95 WeakPolarHBondContact O-CB 3.3Å; R92-R95 PolarHBondContact O-N 2.95Å
93C81.2Confident92.7Very high110 Ų11034.3 Ų34.374%0.74318%0.178SC*.G310 helixtrans-61.7-23.4-176.261.60000114.1R95 Q96C93-R95 PolarHBondContact O-N 2.82Å; C93-Q96 WeakPolarHBondContact O-CB 3.3Å; C93-Q96 VanDerWaalsContact O-CG 3.25Å; C93-Q96 WeakPolarHBondContact O-CG 3.45Å; C93-Q96 PolarHBondContact O-N 2.91Å; C93-Q96 VanDerWaalsContact O-N 3.16Å
94H85Confident92.9Very high71 Ų7139.1 Ų39.133%0.32920%0.196SC..G310 helixtrans-65.9-20.8176.374.7-88.2000113.1H68 E70 R92 Q96H68-H94 PolarHBondContact ND1-O 3.06Å; E70-H94 IonicContact OE2-CE1 2.66Å; E70-H94 PolarHBondContact OE2-CE1 3.1Å; E70-H94 IonicContact OE2-NE2 3.4Å; E70-H94 PolarHBondContact OE2-NE2 2.82Å; R92-H94 WeakPolarHBondContact CB-ND1 3.3Å; R92-H94 PolarHBondContact O-N 3.48Å; R92-H94 VanDerWaalsContact O-N 3.13Å; H94-Q96 PolarHBondContact O-N 3.25Å
95R91.8Very high93Very high3 Ų339 Ų391%0.01120%0.195CC..G310 helixtrans-78.3-4.8176.8-58.7-168.266.6-167.2-0.4113.4K73 D76 P90 R92 C93 G97 E98 V99 E125K73-R95 PolarHBondContact O-NH2 2.85Å; D76-R95 IonicContact OD2-CZ 3.43Å; D76-R95 IonicContact OD2-NH1 3.4Å; D76-R95 PolarHBondContact OD2-NH1 3.39Å; P90-R95 HydrophobicContact CB-CB 3.99Å; P90-R95 HydrophobicContact CG-CB 4.11Å; R92-R95 HydrophobicContact CB-CG 4.29Å; R92-R95 WeakPolarHBondContact O-CB 3.3Å; R92-R95 PolarHBondContact O-N 2.95Å; C93-R95 PolarHBondContact O-N 2.82Å; R95-G97 PolarHBondContact O-N 2.92Å; R95-E98 IonicContact CZ-OE2 3.5Å; R95-E98 VanDerWaalsContact CZ-OE2 3.28Å; R95-E98 IonicContact NE-OE1 3.52Å; R95-E98 IonicContact NE-OE2 3.92Å; R95-E98 PolarHBondContact NE-OE2 3.49Å; R95-E98 IonicContact NH2-OE2 2.79Å; R95-E98 PolarHBondContact NH2-OE2 3.2Å; R95-E98 VanDerWaalsContact O-CB 3.26Å; R95-E98 WeakPolarHBondContact O-CB 3.39Å; R95-E98 PolarHBondContact O-N 3.27Å; R95-V99 PolarHBondContact O-N 2.81Å; R95-E125 IonicContact NH1-OE1 3.48Å
96Q91.9Very high92.9Very high61 Ų6139 Ų3929%0.28520%0.195SC..Hα-helixtrans-59.7-30.2179.4-75-61.9-41.400113.4N89 C93 H94 V99 N100N89-Q96 PolarHBondContact OD1-NE2 2.95Å; C93-Q96 WeakPolarHBondContact O-CB 3.3Å; C93-Q96 VanDerWaalsContact O-CG 3.25Å; C93-Q96 WeakPolarHBondContact O-CG 3.45Å; C93-Q96 PolarHBondContact O-N 2.91Å; C93-Q96 VanDerWaalsContact O-N 3.16Å; H94-Q96 PolarHBondContact O-N 3.25Å; Q96-V99 PolarHBondContact O-N 2.86Å; Q96-N100 VanDerWaalsContact O-CG 3.23Å; Q96-N100 PolarHBondContact O-N 2.99Å; Q96-N100 PolarHBondContact O-ND2 3.37Å
97G92.7Very high92.7Very high15 Ų1545.9 Ų45.916%0.15523%0.225CC..Hα-helixtrans-67.9-33.7173.700000113.4H68 R95 N100 L101H68-G97 VanDerWaalsContact CE1-CA 3.49Å; H68-G97 WeakPolarHBondContact CE1-CA 3.23Å; H68-G97 WeakPolarHBondContact NE2-CA 3.46Å; R95-G97 PolarHBondContact O-N 2.92Å; G97-N100 WeakPolarHBondContact O-CB 3.32Å; G97-N100 PolarHBondContact O-N 2.89Å; G97-L101 WeakPolarHBondContact O-CG 3.38Å; G97-L101 PolarHBondContact O-N 2.81Å
98E94.9Very high92.5Very high5 Ų552.2 Ų52.22%0.02325%0.253CS..Hα-helixtrans-61.2-46.8173.1-56.7169.2-161.300110.5H68 C71 T77 R95 N100 L101 I102H68-E98 HydrophobicContact CB-CG 3.51Å; C71-E98 HydrophobicContact CB-CG 4Å; C71-E98 PolarHBondContact N-OE1 3.33Å; T77-E98 HydrophobicContact CG2-CB 3.94Å; R95-E98 IonicContact CZ-OE2 3.5Å; R95-E98 VanDerWaalsContact CZ-OE2 3.28Å; R95-E98 IonicContact NE-OE1 3.52Å; R95-E98 IonicContact NE-OE2 3.92Å; R95-E98 PolarHBondContact NE-OE2 3.49Å; R95-E98 IonicContact NH2-OE2 2.79Å; R95-E98 PolarHBondContact NH2-OE2 3.2Å; R95-E98 VanDerWaalsContact O-CB 3.26Å; R95-E98 WeakPolarHBondContact O-CB 3.39Å; R95-E98 PolarHBondContact O-N 3.27Å; E98-N100 VanDerWaalsContact C-N 3.28Å; E98-N100 PolarHBondContact O-N 3.08Å; E98-L101 PolarHBondContact O-N 3.1Å; E98-I102 WeakPolarHBondContact O-CG1 3.46Å; E98-I102 PolarHBondContact O-N 2.83Å
99V95.6Very high92.3Very high0 Ų056.9 Ų56.90%027%0.274CS..Hα-helixtrans-58.8-41.2175.8-178.40000110.9T77 M87 P90 R95 Q96 I102 R103T77-V99 HydrophobicContact CG2-CG2 4.42Å; M87-V99 HydrophobicContact CB-CG1 4.03Å; M87-V99 HydrophobicContact CE-CG1 3.65Å; M87-V99 WeakPolarHBondContact CE-O 3.45Å; P90-V99 HydrophobicContact CG-CG2 3.94Å; R95-V99 PolarHBondContact O-N 2.81Å; Q96-V99 PolarHBondContact O-N 2.86Å; V99-I102 PolarHBondContact O-N 2.92Å; V99-R103 VanDerWaalsContact O-CB 3.3Å; V99-R103 WeakPolarHBondContact O-CB 3.32Å; V99-R103 PolarHBondContact O-N 3.36Å
100N95Very high92.1Very high86 Ų8656.2 Ų56.246%0.4627%0.27SS..Hα-helixtrans-64-42.6177.8-67.8-25.2000113.3Q96 G97 E98 R103 H104Q96-N100 VanDerWaalsContact O-CG 3.23Å; Q96-N100 PolarHBondContact O-N 2.99Å; Q96-N100 PolarHBondContact O-ND2 3.37Å; G97-N100 WeakPolarHBondContact O-CB 3.32Å; G97-N100 PolarHBondContact O-N 2.89Å; E98-N100 VanDerWaalsContact C-N 3.28Å; E98-N100 PolarHBondContact O-N 3.08Å; N100-R103 PolarHBondContact OD1-NH1 3.14Å; N100-H104 PolarHBondContact O-N 3.4Å; N100-H104 VanDerWaalsContact O-N 3.16Å
101L95.2Very high92.2Very high62 Ų6259 Ų5933%0.32530%0.3SS..Hα-helixtrans-64-48.8176.3-68.1170.1000110.6M62 D65 G97 E98 R103 H104 T105M62-L101 HydrophobicContact CE-CB 3.67Å; D65-L101 HydrophobicContact CB-CD1 4.14Å; G97-L101 WeakPolarHBondContact O-CG 3.38Å; G97-L101 PolarHBondContact O-N 2.81Å; E98-L101 PolarHBondContact O-N 3.1Å; L101-R103 VanDerWaalsContact C-N 3.35Å; L101-R103 PolarHBondContact O-N 2.83Å; L101-H104 WeakPolarHBondContact O-CB 3.47Å; L101-H104 PolarHBondContact O-N 2.71Å; L101-H104 VanDerWaalsContact O-N 3.13Å; L101-T105 PolarHBondContact O-N 3.4Å; L101-T105 PolarHBondContact O-OG1 2.9Å
102I96.5Very high92.5Very high4 Ų453.3 Ų53.32%0.02128%0.278CS..Hα-helixtrans-61-43.7179.2-66.2-76.2000111V9 M62 V74 T77 A78 M87 E98 V99 H104 T105 L106 L271V9-I102 HydrophobicContact CG1-CD1 3.95Å; M62-I102 HydrophobicContact CE-CD1 4.14Å; M62-I102 HydrophobicContact SD-CD1 3.49Å; M62-I102 WeakPolarHBondContact SD-CD1 3.34Å; M62-I102 HydrophobicContact SD-CG1 4.45Å; V74-I102 HydrophobicContact CB-CD1 4.28Å; V74-I102 HydrophobicContact CG1-CD1 4.11Å; T77-I102 HydrophobicContact CG2-CG1 4.31Å; T77-I102 WeakPolarHBondContact OG1-CG1 3.41Å; A78-I102 HydrophobicContact CB-CG2 4.33Å; M87-I102 HydrophobicContact CE-CB 4.35Å; M87-I102 HydrophobicContact CE-CG2 4.06Å; E98-I102 WeakPolarHBondContact O-CG1 3.46Å; E98-I102 PolarHBondContact O-N 2.83Å; V99-I102 PolarHBondContact O-N 2.92Å; I102-H104 VanDerWaalsContact C-N 3.29Å; I102-H104 PolarHBondContact O-N 3.17Å; I102-T105 PolarHBondContact O-N 3.49Å; I102-L106 HydrophobicContact CG2-CD1 3.7Å; I102-L106 HydrophobicContact CG2-CG 3.92Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 VanDerWaalsContact O-CG 3.28Å; I102-L106 WeakPolarHBondContact O-CG 3.33Å; I102-L106 PolarHBondContact O-N 3.06Å; I102-L271 HydrophobicContact CD1-CD1 4.16Å; I102-L271 HydrophobicContact CG2-CD1 3.57Å
103R96.5Very high93Very high53 Ų5357.8 Ų57.820%0.230%0.298CS..Hα-helixtrans-53.8-47174.7-176.4-173.3-65.1101.2-4111.8M87 V99 N100 L101 K107 I114 E116M87-R103 HydrophobicContact CE-CB 3.79Å; M87-R103 HydrophobicContact CG-CB 4.44Å; M87-R103 HydrophobicContact CG-CG 4.34Å; M87-R103 HydrophobicContact SD-CB 4.05Å; M87-R103 HydrophobicContact SD-CG 4.31Å; V99-R103 VanDerWaalsContact O-CB 3.3Å; V99-R103 WeakPolarHBondContact O-CB 3.32Å; V99-R103 PolarHBondContact O-N 3.36Å; N100-R103 PolarHBondContact OD1-NH1 3.14Å; L101-R103 VanDerWaalsContact C-N 3.35Å; L101-R103 PolarHBondContact O-N 2.83Å; R103-K107 WeakPolarHBondContact O-CB 3.45Å; R103-K107 PolarHBondContact O-N 2.87Å; R103-K107 VanDerWaalsContact O-N 3.15Å; R103-I114 HydrophobicContact CG-CG1 4.4Å; R103-I114 HydrophobicContact CG-CG2 4.05Å; R103-E116 WeakPolarHBondContact CD-OE1 3.36Å; R103-E116 IonicContact CZ-OE1 3.21Å; R103-E116 IonicContact CZ-OE2 3.61Å; R103-E116 IonicContact NE-OE1 3.73Å; R103-E116 PolarHBondContact NE-OE1 3.45Å; R103-E116 IonicContact NE-OE2 2.64Å; R103-E116 PolarHBondContact NE-OE2 3.43Å; R103-E116 IonicContact NH2-OE1 3.65Å; R103-E116 IonicContact NH2-OE2 2.98Å; R103-E116 PolarHBondContact NH2-OE2 3.47Å
104H95.5Very high93.7Very high117 Ų11754.5 Ų54.554%0.54227%0.273SS..Hα-helixtrans-64.5-46.9179.4-174.880.3000111N100 L101 I102 K107 K108N100-H104 PolarHBondContact O-N 3.4Å; N100-H104 VanDerWaalsContact O-N 3.16Å; L101-H104 WeakPolarHBondContact O-CB 3.47Å; L101-H104 PolarHBondContact O-N 2.71Å; L101-H104 VanDerWaalsContact O-N 3.13Å; I102-H104 VanDerWaalsContact C-N 3.29Å; I102-H104 PolarHBondContact O-N 3.17Å; H104-K107 PolarHBondContact O-N 3.14Å; H104-K108 VanDerWaalsContact NE2-CD 3.29Å; H104-K108 WeakPolarHBondContact NE2-CD 3.39Å; H104-K108 WeakPolarHBondContact O-CB 3.42Å; H104-K108 PolarHBondContact O-N 3Å
105T95Very high94.3Very high19 Ų1952.9 Ų52.912%0.11727%0.268CS..Hα-helixtrans-58.7-52.2178.6-58.70000111.8V9 L60 M62 L101 I102 K107 K108 E109V9-T105 HydrophobicContact CG1-CG2 4.18Å; L60-T105 HydrophobicContact CD2-CG2 3.3Å; L60-T105 HydrophobicContact CG-CG2 4.19Å; M62-T105 HydrophobicContact CG-CG2 4.33Å; M62-T105 HydrophobicContact SD-CG2 3.99Å; L101-T105 PolarHBondContact O-N 3.4Å; L101-T105 PolarHBondContact O-OG1 2.9Å; I102-T105 PolarHBondContact O-N 3.49Å; T105-K107 VanDerWaalsContact C-N 3.31Å; T105-K107 PolarHBondContact O-N 3.38Å; T105-K108 PolarHBondContact O-N 2.99Å; T105-E109 HydrophobicContact CG2-CG 4.36Å; T105-E109 WeakPolarHBondContact O-CB 3.5Å; T105-E109 PolarHBondContact O-N 3.04Å
106L95.3Very high94.4Very high0 Ų056.7 Ų56.70%029%0.286CS..Hα-helixtrans-61.4-39-179.7-64.6179.5000112.2V9 A78 I80 A85 M87 I102 L110 G111 I112 I114V9-L106 HydrophobicContact CG2-CD2 3.81Å; A78-L106 HydrophobicContact CB-CD1 4.22Å; I80-L106 HydrophobicContact CD1-CD1 3.91Å; I80-L106 HydrophobicContact CD1-CD2 3.77Å; I80-L106 HydrophobicContact CG1-CD1 4.46Å; A85-L106 HydrophobicContact CB-CD1 3.82Å; M87-L106 HydrophobicContact SD-CD1 4.38Å; I102-L106 HydrophobicContact CG2-CD1 3.7Å; I102-L106 HydrophobicContact CG2-CG 3.92Å; I102-L106 WeakPolarHBondContact O-CB 3.49Å; I102-L106 VanDerWaalsContact O-CG 3.28Å; I102-L106 WeakPolarHBondContact O-CG 3.33Å; I102-L106 PolarHBondContact O-N 3.06Å; L106-L110 HydrophobicContact CD2-CD1 4Å; L106-L110 CarbonylContact O-C 3.39Å; L106-L110 WeakPolarHBondContact O-CB 3.37Å; L106-L110 PolarHBondContact O-N 3.01Å; L106-G111 PolarHBondContact O-N 2.93Å; L106-G111 VanDerWaalsContact O-N 3.1Å; L106-I112 HydrophobicContact CB-CB 4.46Å; L106-I112 HydrophobicContact CB-CD1 4.38Å; L106-I112 HydrophobicContact CD2-CD1 4Å; L106-I112 PolarHBondContact O-N 3.3Å; L106-I114 HydrophobicContact CB-CD1 4.05Å
107K93.9Very high94.3Very high146 Ų14655.3 Ų55.364%0.63528%0.28SS*.Hα-helixtrans-73.1-44.7179-174.1176.7-179.8177.90112.4R103 H104 T105 G111 I114R103-K107 WeakPolarHBondContact O-CB 3.45Å; R103-K107 PolarHBondContact O-N 2.87Å; R103-K107 VanDerWaalsContact O-N 3.15Å; H104-K107 PolarHBondContact O-N 3.14Å; T105-K107 VanDerWaalsContact C-N 3.31Å; T105-K107 PolarHBondContact O-N 3.38Å; K107-G111 WeakPolarHBondContact O-CA 3.29Å; K107-G111 PolarHBondContact O-N 3.31Å; K107-I114 HydrophobicContact CB-CG1 4.23Å
108K93.9Very high93.5Very high136 Ų13660.8 Ų60.859%0.59131%0.306SS*.Hα-helixtrans-78.8-46.7-172.7-178.4173.3168.3-99.10112.5H104 T105H104-K108 VanDerWaalsContact NE2-CD 3.29Å; H104-K108 WeakPolarHBondContact NE2-CD 3.39Å; H104-K108 WeakPolarHBondContact O-CB 3.42Å; H104-K108 PolarHBondContact O-N 3Å; T105-K108 PolarHBondContact O-N 2.99Å
109E92.7Very high92.7Very high101 Ų10163.4 Ų63.447%0.47232%0.323SS..Hα-helixtrans-89.8-34.7-172.2-55.4-56.6145.800111.7L60 T105L60-E109 HydrophobicContact CD2-CB 3.63Å; L60-E109 HydrophobicContact CD2-CG 3.85Å; T105-E109 HydrophobicContact CG2-CG 4.36Å; T105-E109 WeakPolarHBondContact O-CB 3.5Å; T105-E109 PolarHBondContact O-N 3.04Å
110L91.3Very high91.9Very high20 Ų2072.2 Ų72.211%0.10536%0.364CS..SBendtrans-111.1-11.6-174-56.7-176.6000114.5Y7 V9 L106 I112 A273 F276Y7-L110 HydrophobicContact CD1-CD2 3.76Å; Y7-L110 HydrophobicContact CD2-CD2 3.92Å; Y7-L110 HydrophobicContact CE1-CD2 4.3Å; Y7-L110 HydrophobicContact CE2-CD2 4.45Å; Y7-L110 HydrophobicContact CG-CD2 3.57Å; V9-L110 HydrophobicContact CG2-CD1 4.03Å; L106-L110 HydrophobicContact CD2-CD1 4Å; L106-L110 CarbonylContact O-C 3.39Å; L106-L110 WeakPolarHBondContact O-CB 3.37Å; L106-L110 PolarHBondContact O-N 3.01Å; L110-I112 HydrophobicContact CB-CD1 3.76Å; L110-I112 HydrophobicContact CB-CG1 3.76Å; L110-I112 HydrophobicContact CD1-CD1 3.81Å; L110-I112 HydrophobicContact CG-CD1 4.46Å; L110-I112 PolarHBondContact O-N 3.01Å; L110-A273 HydrophobicContact CD1-CB 4Å; L110-F276 HydrophobicContact CB-CE2 4.12Å; L110-F276 WeakPolarHBondContact O-CD2 3.48Å
111G92.3Very high91.7Very high61 Ų6174.5 Ų74.563%0.62938%0.376SS*.  trans64.624.4179.600000114.4L106 K107L106-G111 PolarHBondContact O-N 2.93Å; L106-G111 VanDerWaalsContact O-N 3.1Å; K107-G111 WeakPolarHBondContact O-CA 3.29Å; K107-G111 PolarHBondContact O-N 3.31Å
112I92.6Very high91.7Very high6 Ų671.5 Ų71.53%0.03136%0.361CS..PPolyproline II helixtrans-72.7142.2-175.3-64.5173.9000110.6I80 G83 A85 L106 L110 I114 A273 F276I80-I112 HydrophobicContact CD1-CD1 4.42Å; I80-I112 HydrophobicContact CG2-CD1 4.4Å; G83-I112 WeakPolarHBondContact O-CG2 3.4Å; A85-I112 HydrophobicContact CB-CG2 3.62Å; L106-I112 HydrophobicContact CB-CB 4.46Å; L106-I112 HydrophobicContact CB-CD1 4.38Å; L106-I112 HydrophobicContact CD2-CD1 4Å; L106-I112 PolarHBondContact O-N 3.3Å; L110-I112 HydrophobicContact CB-CD1 3.76Å; L110-I112 HydrophobicContact CB-CG1 3.76Å; L110-I112 HydrophobicContact CD1-CD1 3.81Å; L110-I112 HydrophobicContact CG-CD1 4.46Å; L110-I112 PolarHBondContact O-N 3.01Å; I112-I114 PolarHBondContact O-N 3.16Å; I112-A273 HydrophobicContact CD1-CB 4.03Å; I112-F276 HydrophobicContact CD1-CE1 4.35Å; I112-F276 HydrophobicContact CD1-CE2 3.93Å; I112-F276 HydrophobicContact CD1-CZ 3.44Å; I112-F276 VanDerWaalsContact CD1-CZ 3.44Å; I112-F276 HydrophobicContact CG1-CD2 4.49Å; I112-F276 HydrophobicContact CG1-CE1 3.94Å; I112-F276 HydrophobicContact CG1-CE2 3.6Å; I112-F276 HydrophobicContact CG1-CZ 3.28Å
113K94.7Very high91.7Very high137 Ų13774 Ų7460%0.59637%0.372SS*.EExtended strand (participates in β ladder)trans-69.1117172.7-179.2-172.9174.2-169.30109.5G83 T84 A85G83-K113 WeakPolarHBondContact O-CB 3.17Å; G83-K113 PolarHBondContact O-N 3.48Å; G83-K113 VanDerWaalsContact O-N 3.1Å; T84-K113 CarbonylContact C-O 3.5Å; T84-K113 WeakPolarHBondContact CA-O 3.21Å; A85-K113 PolarHBondContact N-O 2.96Å
114I96.3Very high91.7Very high42 Ų4271.4 Ų71.422%0.21536%0.362CS..EExtended strand (participates in β ladder)trans-87.2133.8177.4-54.3-53.4000110.4A85 M87 R103 L106 K107 I112 E116A85-I114 HydrophobicContact CB-CD1 4.07Å; M87-I114 HydrophobicContact CG-CG2 3.57Å; M87-I114 HydrophobicContact SD-CD1 4.25Å; M87-I114 HydrophobicContact SD-CG2 4.13Å; R103-I114 HydrophobicContact CG-CG1 4.4Å; R103-I114 HydrophobicContact CG-CG2 4.05Å; L106-I114 HydrophobicContact CB-CD1 4.05Å; K107-I114 HydrophobicContact CB-CG1 4.23Å; I112-I114 PolarHBondContact O-N 3.16Å; I114-E116 WeakPolarHBondContact CG2-OE1 3.5Å
115V96.3Very high91.7Very high37 Ų3766.1 Ų66.122%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-119.8129.2169.5176.40000107.9T84 A85 L86 M87 A155T84-V115 HydrophobicContact CG2-CB 4.38Å; T84-V115 HydrophobicContact CG2-CG2 3.48Å; T84-V115 VanDerWaalsContact CG2-CG2 3.48Å; A85-V115 PolarHBondContact O-N 3.13Å; L86-V115 WeakPolarHBondContact CA-O 3.22Å; L86-V115 HydrophobicContact CD1-CB 4.39Å; L86-V115 HydrophobicContact CD1-CG1 3.99Å; M87-V115 PolarHBondContact N-O 3.4Å; V115-A155 HydrophobicContact CG1-CB 4.13Å
116E94.4Very high91.8Very high82 Ų8265.3 Ų65.338%0.38333%0.333SS..  trans-94158.4176.2-57.4-62.1161.400110.9R103 I114 N118R103-E116 WeakPolarHBondContact CD-OE1 3.36Å; R103-E116 IonicContact CZ-OE1 3.21Å; R103-E116 IonicContact CZ-OE2 3.61Å; R103-E116 IonicContact NE-OE1 3.73Å; R103-E116 PolarHBondContact NE-OE1 3.45Å; R103-E116 IonicContact NE-OE2 2.64Å; R103-E116 PolarHBondContact NE-OE2 3.43Å; R103-E116 IonicContact NH2-OE1 3.65Å; R103-E116 IonicContact NH2-OE2 2.98Å; R103-E116 PolarHBondContact NH2-OE2 3.47Å; I114-E116 WeakPolarHBondContact CG2-OE1 3.5Å; E116-N118 PolarHBondContact O-N 2.88Å; E116-N118 PolarHBondContact O-OD1 3.24Å
117L89.1Confident91.9Very high32 Ų3265.3 Ų65.317%0.16833%0.333CS..  trans-70.7126.1168.6-70.2164.9000110.1L86 M87 N89 T119 A122 V124 A151L86-L117 HydrophobicContact CD1-CD2 4.04Å; L86-L117 HydrophobicContact CD1-CG 4.27Å; L86-L117 HydrophobicContact CD2-CD2 4.46Å; M87-L117 WeakPolarHBondContact O-CD1 3.41Å; M87-L117 WeakPolarHBondContact O-CG 3.39Å; N89-L117 HydrophobicContact CB-CD1 3.23Å; N89-L117 VanDerWaalsContact N-CD1 3.31Å; L117-T119 PolarHBondContact O-N 2.97Å; L117-A122 HydrophobicContact CD2-CB 4.23Å; L117-V124 HydrophobicContact CD1-CG1 4.02Å; L117-V124 HydrophobicContact CD2-CG1 4.16Å; L117-A151 HydrophobicContact CD2-CB 3.22Å
118N76.8Confident92.1Very high130 Ų13058.4 Ų58.470%0.69530%0.303SS*.SBendtrans-78.10.5-178.4-65.8-10.2000114.1E116E116-N118 PolarHBondContact O-N 2.88Å; E116-N118 PolarHBondContact O-OD1 3.24Å
119T78.7Confident92.3Very high60 Ų6052.2 Ų52.237%0.36828%0.276SS..  trans-144.7126.2-173.656.90000110.7L117 N121 A122L117-T119 PolarHBondContact O-N 2.97Å; T119-N121 PolarHBondContact O-N 3.36Å; T119-A122 WeakPolarHBondContact O-CB 3.43Å; T119-A122 PolarHBondContact O-N 2.64Å; T119-A122 VanDerWaalsContact O-N 3.07Å; T119-A122 WeakPolarHBondContact OG1-CB 3.37Å
120E78.9Confident92.6Very high185 Ų18547.8 Ų47.886%0.86426%0.256SS*.THydrogen-bonded Turntrans-61.5-28.3179.1-62.6-179.5172.700113N89 A122N89-E120 PolarHBondContact ND2-O 3Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.02Å
121N90.5Very high92.9Very high134 Ų13448.4 Ų48.472%0.71726%0.258SS*.THydrogen-bonded Turntrans-80.5-9178.8-65.1-23.1000113.9T119 Q123 N145T119-N121 PolarHBondContact O-N 3.36Å; N121-Q123 PolarHBondContact O-N 3.16Å; N121-N145 PolarHBondContact O-ND2 2.9Å
122A94.5Very high93Very high0 Ų045.6 Ų45.60%023%0.229CC..  trans-76.4117.3176.200000109.1N89 L117 T119 E120 A147N89-A122 WeakPolarHBondContact CB-O 3.48Å; N89-A122 PolarHBondContact ND2-O 3Å; L117-A122 HydrophobicContact CD2-CB 4.23Å; T119-A122 WeakPolarHBondContact O-CB 3.43Å; T119-A122 PolarHBondContact O-N 2.64Å; T119-A122 VanDerWaalsContact O-N 3.07Å; T119-A122 WeakPolarHBondContact OG1-CB 3.37Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.02Å; A122-A147 HydrophobicContact CB-CB 4.04Å
123Q95.6Very high93.1Very high55 Ų5546.2 Ų46.226%0.25724%0.237SC..  trans-111.4128.2174.4-64.2177.7-52.400108.1N89 Y91 N121 T144 N145 G148N89-Q123 WeakPolarHBondContact O-CA 3.39Å; Y91-Q123 VanDerWaalsContact CD2-NE2 3.27Å; N121-Q123 PolarHBondContact O-N 3.16Å; Q123-T144 WeakPolarHBondContact O-CA 3.45Å; Q123-N145 PolarHBondContact N-OD1 2.8Å; Q123-N145 VanDerWaalsContact N-OD1 3.11Å; Q123-N145 PolarHBondContact O-N 3.22Å; Q123-N145 PolarHBondContact O-OD1 3.09Å; Q123-G148 WeakPolarHBondContact O-CA 3.41Å
124V97.2Very high93.1Very high0 Ų042.9 Ų42.90%022%0.223CC..BIsolated β-bridgetrans-151.7136.7177.958.50000108.4C88 N89 L117 V129 T144 V152C88-V124 HydrophobicContact CB-CG1 4.28Å; C88-V124 VanDerWaalsContact CB-O 3.26Å; C88-V124 WeakPolarHBondContact CB-O 3.28Å; N89-V124 CarbonylContact C-O 3.51Å; N89-V124 PolarHBondContact N-O 3.31Å; N89-V124 PolarHBondContact O-N 3.11Å; L117-V124 HydrophobicContact CD1-CG1 4.02Å; L117-V124 HydrophobicContact CD2-CG1 4.16Å; V124-V129 HydrophobicContact CG2-CG2 3.85Å; V124-T144 HydrophobicContact CB-CG2 4.18Å; V124-T144 HydrophobicContact CG2-CG2 4.01Å; V124-V152 HydrophobicContact CG2-CG2 4Å
125E96.5Very high93.1Very high6 Ų640.9 Ų40.93%0.02821%0.213CC..  trans-117.2141.3167.1-70.2-171.2165.300108.6D76 P90 R95 S127 D128 H143 T144D76-E125 HydrophobicContact CB-CB 3.98Å; D76-E125 HydrophobicContact CB-CG 4.09Å; P90-E125 HydrophobicContact CB-CG 4.14Å; R95-E125 IonicContact NH1-OE1 3.48Å; E125-S127 PolarHBondContact O-N 2.83Å; E125-D128 PolarHBondContact O-N 3.31Å; E125-H143 HydrophobicContact CB-CB 4.48Å; E125-H143 HydrophobicContact CG-CB 3.97Å; E125-H143 WeakPolarHBondContact OE2-CB 3.4Å; E125-H143 IonicContact OE2-CE1 2.82Å; E125-H143 IonicContact OE2-CG 3.4Å; E125-H143 IonicContact OE2-ND1 2.83Å; E125-H143 PolarHBondContact OE2-ND1 2.92Å; E125-T144 PolarHBondContact N-OG1 2.95Å; E125-T144 VanDerWaalsContact N-OG1 3.08Å
126G97.3Very high93.2Very high1 Ų139.1 Ų39.11%0.0120%0.202CC..G310 helixtrans-60.9-25.1-178.300000113.6D75 D128 V129 K174D75-G126 VanDerWaalsContact O-CA 3.24Å; D75-G126 WeakPolarHBondContact O-CA 3.25Å; D75-G126 PolarHBondContact O-N 2.81Å; G126-D128 PolarHBondContact O-N 3.19Å; G126-V129 PolarHBondContact O-N 3.02Å; G126-K174 WeakPolarHBondContact O-CE 3.24Å; G126-K174 PolarHBondContact O-NZ 3.06Å
127S96.7Very high93.4Very high1 Ų135.2 Ų35.21%0.00718%0.184CC..G310 helixtrans-64.8-16.4173.857.90000114.4D75 D76 E125 S172 L173 K174D75-S127 WeakPolarHBondContact OD2-CA 2.99Å; D75-S127 PolarHBondContact OD2-N 3.47Å; D76-S127 WeakPolarHBondContact OD1-CB 3.27Å; D76-S127 PolarHBondContact OD1-N 2.86Å; D76-S127 PolarHBondContact OD1-OG 3.01Å; E125-S127 PolarHBondContact O-N 2.83Å; S127-S172 WeakPolarHBondContact O-CB 3.35Å; S127-S172 WeakPolarHBondContact OG-CB 3.44Å; S127-L173 PolarHBondContact O-N 2.91Å; S127-K174 WeakPolarHBondContact O-CB 3.45Å; S127-K174 VanDerWaalsContact O-CG 3.29Å; S127-K174 WeakPolarHBondContact O-CG 3.35Å; S127-K174 PolarHBondContact O-N 3.4Å
128D97.9Very high93.8Very high0 Ų033.7 Ų33.70%018%0.176CC..G310 helixtrans-92.9-1.1171.8-78.1-45.8000114E125 G126 V138 G139 S141 T144 S172 L173E125-D128 PolarHBondContact O-N 3.31Å; G126-D128 PolarHBondContact O-N 3.19Å; D128-V138 CarbonylContact O-C 3.34Å; D128-V138 WeakPolarHBondContact O-CA 3.27Å; D128-G139 PolarHBondContact O-N 2.66Å; D128-S141 WeakPolarHBondContact OD2-CB 3.4Å; D128-S141 PolarHBondContact OD2-OG 3.29Å; D128-T144 HydrophobicContact CB-CG2 4.18Å; D128-T144 VanDerWaalsContact CB-OG1 3.27Å; D128-T144 WeakPolarHBondContact CB-OG1 3.41Å; D128-T144 VanDerWaalsContact OD2-CB 3.26Å; D128-T144 WeakPolarHBondContact OD2-CB 3.48Å; D128-T144 PolarHBondContact OD2-OG1 3.13Å; D128-S172 WeakPolarHBondContact OD1-CA 3.43Å; D128-L173 WeakPolarHBondContact O-CD2 3.44Å; D128-L173 PolarHBondContact OD1-N 2.99Å
129V98.3Very high94.8Very high6 Ų627.5 Ų27.54%0.03614%0.143CC..EExtended strand (participates in β ladder)trans-111.5110.8-176.9-175.70000110.5V79 V124 G126 I136 V138 V152 K174V79-V129 HydrophobicContact CG1-CG1 3.92Å; V79-V129 HydrophobicContact CG2-CB 3.93Å; V79-V129 HydrophobicContact CG2-CG1 4.1Å; V79-V129 HydrophobicContact CG2-CG2 3.89Å; V124-V129 HydrophobicContact CG2-CG2 3.85Å; G126-V129 PolarHBondContact O-N 3.02Å; V129-I136 HydrophobicContact CG1-CG2 3.64Å; V129-V138 HydrophobicContact CG2-CG1 4.3Å; V129-V138 HydrophobicContact CG2-CG2 4.33Å; V129-V152 HydrophobicContact CG1-CG1 4.11Å; V129-V152 HydrophobicContact CG2-CG2 4.04Å; V129-K174 WeakPolarHBondContact O-CE 3.5Å
130L98Very high95.7Very high9 Ų926.5 Ų26.55%0.04714%0.135CC..EExtended strand (participates in β ladder)trans-105.2106.8178-170.377.4000110.3T132 I137 L173 K174 V177 V179 L185L130-T132 HydrophobicContact CD2-CG2 4.44Å; L130-I137 HydrophobicContact CB-CB 4.43Å; L130-I137 PolarHBondContact N-O 2.82Å; L130-I137 PolarHBondContact O-N 3.5Å; L130-L173 HydrophobicContact CB-CD2 3.65Å; L130-L173 HydrophobicContact CB-CG 4.39Å; L130-K174 HydrophobicContact CD1-CG 4.33Å; L130-V177 HydrophobicContact CD2-CG1 3.99Å; L130-V177 HydrophobicContact CD2-CG2 3.99Å; L130-V179 HydrophobicContact CD1-CG2 3.97Å; L130-V179 HydrophobicContact CG-CG2 4.19Å; L130-L185 HydrophobicContact CD2-CD2 4.21Å
131F97.7Very high96.5Very high32 Ų3218.9 Ų18.914%0.1410%0.102CC..EExtended strand (participates in β ladder)trans-85.9119.1169.1177.9-123000110.3A2 I81 G133 E135 I136 Y159A2-F131 HydrophobicContact CB-CE1 4.41Å; I81-F131 HydrophobicContact CD1-CB 4.1Å; I81-F131 HydrophobicContact CD1-CD2 3.96Å; I81-F131 HydrophobicContact CD1-CG 4Å; I81-F131 HydrophobicContact CG1-CG 4.35Å; I81-F131 HydrophobicContact CG2-CD1 4.49Å; I81-F131 HydrophobicContact CG2-CE1 4.16Å; I81-F131 HydrophobicContact CG2-CE2 4.19Å; I81-F131 HydrophobicContact CG2-CZ 4Å; F131-G133 VanDerWaalsContact C-N 3.34Å; F131-G133 VanDerWaalsContact CZ-CA 3.43Å; F131-E135 WeakPolarHBondContact CD2-O 3.48Å; F131-I136 HydrophobicContact CD2-CG1 3.92Å; F131-Y159 AromaticContact CE2-CD1 3.75Å; F131-Y159 HydrophobicContact CE2-CD1 3.75Å; F131-Y159 HydrophobicContact CE2-CD2 4.01Å; F131-Y159 AromaticContact CE2-CE1 3.59Å; F131-Y159 HydrophobicContact CE2-CE1 3.59Å; F131-Y159 AromaticContact CE2-CE2 3.89Å; F131-Y159 HydrophobicContact CE2-CE2 3.89Å; F131-Y159 AromaticContact CE2-CG 3.95Å; F131-Y159 HydrophobicContact CE2-CG 3.95Å; F131-Y159 AromaticContact CE2-CZ 3.67Å; F131-Y159 HydrophobicContact CZ-CD1 4.43Å; F131-Y159 AromaticContact CZ-CE1 3.81Å; F131-Y159 HydrophobicContact CZ-CE1 3.81Å; F131-Y159 HydrophobicContact CZ-CE2 4.06Å; F131-Y159 AromaticContact CZ-CZ 3.6Å
132T96Very high96.7Very high3 Ų316 Ų162%0.01810%0.097CC..  trans-90.3-0.3-175.571.30000113.5F3 L130 Q134 E135 I137 Y208F3-T132 VanDerWaalsContact CZ-C 3.41Å; L130-T132 HydrophobicContact CD2-CG2 4.44Å; T132-Q134 PolarHBondContact O-N 3.23Å; T132-Q134 PolarHBondContact OG1-N 2.81Å; T132-E135 HydrophobicContact CG2-CG 4.43Å; T132-E135 PolarHBondContact N-O 3.19Å; T132-E135 PolarHBondContact OG1-N 3.47Å; T132-E135 VanDerWaalsContact OG1-N 3.08Å; T132-E135 PolarHBondContact OG1-O 2.93Å; T132-I137 HydrophobicContact CG2-CD1 4.04Å; T132-Y208 WeakPolarHBondContact CB-OH 3.18Å; T132-Y208 HydrophobicContact CG2-CE1 4.08Å; T132-Y208 WeakPolarHBondContact CG2-OH 3.37Å; T132-Y208 PolarHBondContact OG1-OH 2.7Å
133G94Very high96.6Very high19 Ų1917.6 Ų17.620%0.19610%0.104CC..SBendtrans86.4-15.7-169.500000113.5F131F131-G133 VanDerWaalsContact C-N 3.34Å; F131-G133 VanDerWaalsContact CZ-CA 3.43Å
134Q93.7Very high96.7Very high67 Ų6715.1 Ų15.131%0.3139%0.093SC..SBendtrans-123.4-33.1179.8-64.4-173.485.900112.9T132 Y159 N183 H206T132-Q134 PolarHBondContact O-N 3.23Å; T132-Q134 PolarHBondContact OG1-N 2.81Å; Q134-Y159 WeakPolarHBondContact O-CD1 3.3Å; Q134-N183 PolarHBondContact NE2-OD1 2.97Å; Q134-H206 PolarHBondContact OE1-CD2 3.1Å
135E96.8Very high96.7Very high0 Ų017.1 Ų17.10%010%0.104CC..  trans-149.5174.1178.674.7-165.4117.300110.4F131 T132 A160 A204 S205 H206 Y208F131-E135 WeakPolarHBondContact CD2-O 3.48Å; T132-E135 HydrophobicContact CG2-CG 4.43Å; T132-E135 PolarHBondContact N-O 3.19Å; T132-E135 PolarHBondContact OG1-N 3.47Å; T132-E135 VanDerWaalsContact OG1-N 3.08Å; T132-E135 PolarHBondContact OG1-O 2.93Å; E135-A160 HydrophobicContact CB-CB 4.27Å; E135-A160 WeakPolarHBondContact CB-O 3.21Å; E135-A204 WeakPolarHBondContact OE2-CA 3.34Å; E135-S205 PolarHBondContact OE1-N 3.29Å; E135-S205 PolarHBondContact OE2-N 3.33Å; E135-H206 WeakPolarHBondContact OE1-CB 3.26Å; E135-H206 IonicContact OE1-CG 3.59Å; E135-H206 PolarHBondContact OE1-N 3.13Å; E135-H206 VanDerWaalsContact OE1-N 3.13Å; E135-H206 IonicContact OE1-ND1 3.62Å; E135-H206 PolarHBondContact OE1-ND1 3.02Å; E135-H206 IonicContact OE2-ND1 3.83Å; E135-Y208 WeakPolarHBondContact CG-OH 3.3Å; E135-Y208 PolarHBondContact OE1-OH 3.27Å
136I98.2Very high96.7Very high0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-114.3131.4177.2-58.2168.2000108.4I81 V129 F131 V138 V152 F156 Y159 A160 T161 S162I81-I136 HydrophobicContact CD1-CD1 3.52Å; I81-I136 HydrophobicContact CD1-CG1 3.91Å; V129-I136 HydrophobicContact CG1-CG2 3.64Å; F131-I136 HydrophobicContact CD2-CG1 3.92Å; I136-V138 HydrophobicContact CG2-CG2 3.98Å; I136-V152 HydrophobicContact CD1-CG1 4.17Å; I136-V152 HydrophobicContact CG2-CG1 3.81Å; I136-F156 HydrophobicContact CD1-CB 3.66Å; I136-F156 HydrophobicContact CD1-CD2 3.85Å; I136-F156 HydrophobicContact CD1-CG 4.03Å; I136-Y159 HydrophobicContact CD1-CD2 4.46Å; I136-A160 PolarHBondContact N-O 3.07Å; I136-T161 HydrophobicContact CB-CG2 4.28Å; I136-T161 HydrophobicContact CG2-CG2 4.25Å; I136-T161 CarbonylContact O-C 3.47Å; I136-T161 VanDerWaalsContact O-CA 3.29Å; I136-T161 WeakPolarHBondContact O-CA 3.16Å; I136-S162 PolarHBondContact O-N 2.96Å
137I98.2Very high96.6Very high0 Ų024.5 Ų24.50%014%0.144CC..EExtended strand (participates in β ladder)trans-112.6127.2170.7-59.3164.3000107.3L130 T132 S162 V164 L173 I200L130-I137 HydrophobicContact CB-CB 4.43Å; L130-I137 PolarHBondContact N-O 2.82Å; L130-I137 PolarHBondContact O-N 3.5Å; T132-I137 HydrophobicContact CG2-CD1 4.04Å; I137-S162 CarbonylContact C-O 3.56Å; I137-S162 WeakPolarHBondContact CA-O 3.38Å; I137-V164 HydrophobicContact CG2-CG1 4Å; I137-V164 HydrophobicContact CG2-CG2 3.71Å; I137-L173 HydrophobicContact CB-CD2 4.25Å; I137-L173 HydrophobicContact CG2-CD2 3.85Å; I137-L173 VanDerWaalsContact O-CD2 3.31Å; I137-L173 WeakPolarHBondContact O-CD2 3.35Å; I137-I200 HydrophobicContact CD1-CG1 4.4Å; I137-I200 HydrophobicContact CD1-CG2 3.68Å; I137-I200 HydrophobicContact CG2-CG1 4.33Å
138V98.5Very high96.7Very high0 Ų024.5 Ų24.50%014%0.144CC..EExtended strand (participates in β ladder)trans-113.4124.3177.4-172.70000110D128 V129 I136 T144 A149 V152 T161 S162 I163 V164D128-V138 CarbonylContact O-C 3.34Å; D128-V138 WeakPolarHBondContact O-CA 3.27Å; V129-V138 HydrophobicContact CG2-CG1 4.3Å; V129-V138 HydrophobicContact CG2-CG2 4.33Å; I136-V138 HydrophobicContact CG2-CG2 3.98Å; V138-T144 HydrophobicContact CG1-CG2 3.77Å; V138-A149 HydrophobicContact CB-CB 3.89Å; V138-A149 HydrophobicContact CG1-CB 3.62Å; V138-A149 HydrophobicContact CG2-CB 4.34Å; V138-V152 HydrophobicContact CG2-CB 4.22Å; V138-V152 HydrophobicContact CG2-CG1 4.12Å; V138-V152 HydrophobicContact CG2-CG2 4.38Å; V138-T161 HydrophobicContact CG2-CG2 3.86Å; V138-S162 PolarHBondContact N-O 3.32Å; V138-I163 WeakPolarHBondContact O-CA 3.44Å; V138-V164 PolarHBondContact O-N 2.9Å
139G98.2Very high96.6Very high0 Ų024.5 Ų24.50%014%0.144CC..EExtended strand (participates in β ladder)trans-82.2128.8174.300000111.4D128 T144 V164D128-G139 PolarHBondContact O-N 2.66Å; G139-T144 WeakPolarHBondContact O-CB 3.45Å; G139-T144 WeakPolarHBondContact O-CG2 3.33Å; G139-V164 CarbonylContact C-O 3.55Å; G139-V164 WeakPolarHBondContact CA-O 3.42Å
140I98Very high96.6Very high39 Ų3928.7 Ų28.720%0.216%0.163CC..EExtended strand (participates in β ladder)trans-84.7114.7166.3-54.8-54.2000107.9E146 A149 I163 V164 L166I140-E146 HydrophobicContact CD1-CG 4.09Å; I140-E146 HydrophobicContact CG1-CG 4.44Å; I140-A149 HydrophobicContact CD1-CB 4.19Å; I140-I163 HydrophobicContact CD1-CG2 3.6Å; I140-I163 HydrophobicContact CG1-CG2 3.35Å; I140-V164 PolarHBondContact N-O 3.19Å; I140-L166 VanDerWaalsContact O-CB 3.25Å; I140-L166 WeakPolarHBondContact O-CB 3.48Å; I140-L166 PolarHBondContact O-N 3.41Å
141S95.9Very high96.5Very high24 Ų2428.5 Ų28.517%0.16816%0.163CC..  trans-128.9-169.3-172.978.50000110.3D128 H143 T144D128-S141 WeakPolarHBondContact OD2-CB 3.4Å; D128-S141 PolarHBondContact OD2-OG 3.29Å; S141-H143 PolarHBondContact O-N 3Å; S141-H143 PolarHBondContact OG-N 3Å; S141-T144 PolarHBondContact N-O 3.27Å; S141-T144 VanDerWaalsContact N-O 3.08Å; S141-T144 PolarHBondContact OG-N 3.17Å
142A93.1Very high96.5Very high75 Ų7527 Ų2762%0.6216%0.156SC*.SBendtrans-69.4-17.8168.600000112.6Y91Y91-A142 WeakPolarHBondContact CD2-O 3.44Å
143H93.4Very high96.6Very high33 Ų3328.3 Ų28.315%0.15317%0.168CC..SBendtrans-110.2-19.3-173.7-48.2164000113.7E125 S141E125-H143 HydrophobicContact CB-CB 4.48Å; E125-H143 HydrophobicContact CG-CB 3.97Å; E125-H143 WeakPolarHBondContact OE2-CB 3.4Å; E125-H143 IonicContact OE2-CE1 2.82Å; E125-H143 IonicContact OE2-CG 3.4Å; E125-H143 IonicContact OE2-ND1 2.83Å; E125-H143 PolarHBondContact OE2-ND1 2.92Å; S141-H143 PolarHBondContact O-N 3Å; S141-H143 PolarHBondContact OG-N 3Å
144T96.8Very high96.7Very high2 Ų233.4 Ų33.41%0.01218%0.181CC..  trans-123.6126.8-179.5-60.60000111Q123 V124 E125 D128 V138 G139 S141Q123-T144 WeakPolarHBondContact O-CA 3.45Å; V124-T144 HydrophobicContact CB-CG2 4.18Å; V124-T144 HydrophobicContact CG2-CG2 4.01Å; E125-T144 PolarHBondContact N-OG1 2.95Å; E125-T144 VanDerWaalsContact N-OG1 3.08Å; D128-T144 HydrophobicContact CB-CG2 4.18Å; D128-T144 VanDerWaalsContact CB-OG1 3.27Å; D128-T144 WeakPolarHBondContact CB-OG1 3.41Å; D128-T144 VanDerWaalsContact OD2-CB 3.26Å; D128-T144 WeakPolarHBondContact OD2-CB 3.48Å; D128-T144 PolarHBondContact OD2-OG1 3.13Å; V138-T144 HydrophobicContact CG1-CG2 3.77Å; G139-T144 WeakPolarHBondContact O-CB 3.45Å; G139-T144 WeakPolarHBondContact O-CG2 3.33Å; S141-T144 PolarHBondContact N-O 3.27Å; S141-T144 VanDerWaalsContact N-O 3.08Å; S141-T144 PolarHBondContact OG-N 3.17Å
145N96.8Very high96.8Very high42 Ų4230.9 Ų30.923%0.22517%0.172CC..  trans-111.3171.8178.971.419.3000112.4N121 Q123 A147 G148 A149N121-N145 PolarHBondContact O-ND2 2.9Å; Q123-N145 PolarHBondContact N-OD1 2.8Å; Q123-N145 VanDerWaalsContact N-OD1 3.11Å; Q123-N145 PolarHBondContact O-N 3.22Å; Q123-N145 PolarHBondContact O-OD1 3.09Å; N145-A147 VanDerWaalsContact C-N 3.27Å; N145-A147 PolarHBondContact O-N 3.16Å; N145-A147 WeakPolarHBondContact OD1-CB 3.44Å; N145-A147 PolarHBondContact OD1-N 2.84Å; N145-G148 PolarHBondContact O-N 3.19Å; N145-G148 VanDerWaalsContact O-N 3.11Å; N145-G148 PolarHBondContact OD1-N 2.86Å; N145-A149 PolarHBondContact O-N 3.01Å
146E96.6Very high96.8Very high126 Ų12630.9 Ų30.959%0.58917%0.172SC*.Hα-helixtrans-61.3-34.6-177.9-69.1-176.8-174.200112.7I140 G148 A149 H150I140-E146 HydrophobicContact CD1-CG 4.09Å; I140-E146 HydrophobicContact CG1-CG 4.44Å; E146-G148 VanDerWaalsContact C-N 3.32Å; E146-G148 PolarHBondContact O-N 2.85Å; E146-A149 PolarHBondContact O-N 2.84Å; E146-H150 PolarHBondContact O-CD2 2.97Å; E146-H150 PolarHBondContact O-N 2.96Å
147A96.7Very high96.6Very high37 Ų3735.9 Ų35.931%0.30620%0.204SC..Hα-helixtrans-64.2-38.4176.400000111.8A122 N145 A151A122-A147 HydrophobicContact CB-CB 4.04Å; N145-A147 VanDerWaalsContact C-N 3.27Å; N145-A147 PolarHBondContact O-N 3.16Å; N145-A147 WeakPolarHBondContact OD1-CB 3.44Å; N145-A147 PolarHBondContact OD1-N 2.84Å; A147-A151 PolarHBondContact O-N 2.84Å; A147-A151 VanDerWaalsContact O-N 3.07Å
148G97.2Very high96.5Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-62.8-48.1170.400000112.6Q123 N145 E146 H150 A151 V152Q123-G148 WeakPolarHBondContact O-CA 3.41Å; N145-G148 PolarHBondContact O-N 3.19Å; N145-G148 VanDerWaalsContact O-N 3.11Å; N145-G148 PolarHBondContact OD1-N 2.86Å; E146-G148 VanDerWaalsContact C-N 3.32Å; E146-G148 PolarHBondContact O-N 2.85Å; G148-H150 VanDerWaalsContact C-N 3.33Å; G148-H150 PolarHBondContact O-N 2.9Å; G148-A151 WeakPolarHBondContact O-CA 3.44Å; G148-A151 WeakPolarHBondContact O-CB 3.36Å; G148-A151 PolarHBondContact O-N 3.08Å; G148-V152 PolarHBondContact O-N 3.32Å
149A97.4Very high96.4Very high1 Ų142.8 Ų42.81%0.00824%0.235CC..Hα-helixtrans-59.3-42176.800000112.8V138 I140 N145 E146 A151 V152 A153 I163V138-A149 HydrophobicContact CB-CB 3.89Å; V138-A149 HydrophobicContact CG1-CB 3.62Å; V138-A149 HydrophobicContact CG2-CB 4.34Å; I140-A149 HydrophobicContact CD1-CB 4.19Å; N145-A149 PolarHBondContact O-N 3.01Å; E146-A149 PolarHBondContact O-N 2.84Å; A149-A151 VanDerWaalsContact C-N 3.27Å; A149-A151 PolarHBondContact O-N 3.07Å; A149-V152 WeakPolarHBondContact O-CB 3.17Å; A149-V152 PolarHBondContact O-N 2.62Å; A149-A153 PolarHBondContact O-N 2.96Å; A149-A153 VanDerWaalsContact O-N 3.11Å; A149-I163 HydrophobicContact CB-CD1 3.68Å; A149-I163 HydrophobicContact CB-CG1 3.87Å
150H96.8Very high96.3Very high93 Ų9345 Ų4543%0.43125%0.253SS..Hα-helixtrans-66.5-28.8173.5-72.7-49.5000113.2E146 G148 A153 R154E146-H150 PolarHBondContact O-CD2 2.97Å; E146-H150 PolarHBondContact O-N 2.96Å; G148-H150 VanDerWaalsContact C-N 3.33Å; G148-H150 PolarHBondContact O-N 2.9Å; H150-A153 PolarHBondContact O-N 3.13Å; H150-R154 WeakPolarHBondContact O-CG 3.22Å; H150-R154 PolarHBondContact O-N 3.35Å; H150-R154 VanDerWaalsContact O-N 3.08Å; H150-R154 PolarHBondContact O-NH1 3.27Å
151A96.9Very high96.3Very high5 Ų544.9 Ų44.94%0.04125%0.254CS..Hα-helixtrans-70.5-37.3174.300000112.1L117 A147 G148 A149 R154 A155L117-A151 HydrophobicContact CD2-CB 3.22Å; A147-A151 PolarHBondContact O-N 2.84Å; A147-A151 VanDerWaalsContact O-N 3.07Å; G148-A151 WeakPolarHBondContact O-CA 3.44Å; G148-A151 WeakPolarHBondContact O-CB 3.36Å; G148-A151 PolarHBondContact O-N 3.08Å; A149-A151 VanDerWaalsContact C-N 3.27Å; A149-A151 PolarHBondContact O-N 3.07Å; A151-R154 PolarHBondContact O-N 2.85Å; A151-A155 WeakPolarHBondContact O-CB 3.24Å; A151-A155 PolarHBondContact O-N 3.43Å
152V97.6Very high96.4Very high0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-57.6-49.2169.6178.70000110.4L86 V124 V129 I136 V138 G148 A149 R154 A155 F156L86-V152 HydrophobicContact CD2-CB 4.32Å; L86-V152 HydrophobicContact CD2-CG2 3.83Å; V124-V152 HydrophobicContact CG2-CG2 4Å; V129-V152 HydrophobicContact CG1-CG1 4.11Å; V129-V152 HydrophobicContact CG2-CG2 4.04Å; I136-V152 HydrophobicContact CD1-CG1 4.17Å; I136-V152 HydrophobicContact CG2-CG1 3.81Å; V138-V152 HydrophobicContact CG2-CB 4.22Å; V138-V152 HydrophobicContact CG2-CG1 4.12Å; V138-V152 HydrophobicContact CG2-CG2 4.38Å; G148-V152 PolarHBondContact O-N 3.32Å; A149-V152 WeakPolarHBondContact O-CB 3.17Å; A149-V152 PolarHBondContact O-N 2.62Å; V152-R154 VanDerWaalsContact C-N 3.29Å; V152-R154 PolarHBondContact O-N 3.45Å; V152-A155 PolarHBondContact O-N 2.99Å; V152-A155 VanDerWaalsContact O-N 3.1Å; V152-F156 HydrophobicContact CG1-CD2 3.99Å; V152-F156 HydrophobicContact CG1-CE2 4.33Å; V152-F156 WeakPolarHBondContact O-CD2 3.22Å; V152-F156 PolarHBondContact O-N 2.79Å; V152-F156 VanDerWaalsContact O-N 3.13Å
153A97Very high96.6Very high32 Ų3243.5 Ų43.526%0.26424%0.235SC..Hα-helixtrans-59.1-37.2178.300000113.3A149 H150 F156 T161A149-A153 PolarHBondContact O-N 2.96Å; A149-A153 VanDerWaalsContact O-N 3.11Å; H150-A153 PolarHBondContact O-N 3.13Å; A153-F156 CarbonylContact O-C 3.58Å; A153-T161 HydrophobicContact CB-CG2 3.99Å
154R96.3Very high96.8Very high126 Ų12642 Ų4248%0.47523%0.229SC..Hα-helixtrans-72.9-32.3176.1-73.2-172.8-59.5-88.72.2113.2H150 A151 V152 F156H150-R154 WeakPolarHBondContact O-CG 3.22Å; H150-R154 PolarHBondContact O-N 3.35Å; H150-R154 VanDerWaalsContact O-N 3.08Å; H150-R154 PolarHBondContact O-NH1 3.27Å; A151-R154 PolarHBondContact O-N 2.85Å; V152-R154 VanDerWaalsContact C-N 3.29Å; V152-R154 PolarHBondContact O-N 3.45Å; R154-F156 VanDerWaalsContact C-N 3.34Å
155A96.1Very high96.8Very high14 Ų1450 Ų5012%0.11626%0.263CS..Hα-helixtrans-72.6-30.518000000112.2L86 V115 A151 V152 P157L86-A155 HydrophobicContact CB-CB 4.02Å; L86-A155 HydrophobicContact CD1-CB 4.1Å; L86-A155 HydrophobicContact CD2-CB 3.97Å; L86-A155 HydrophobicContact CG-CB 4.26Å; V115-A155 HydrophobicContact CG1-CB 4.13Å; A151-A155 WeakPolarHBondContact O-CB 3.24Å; A151-A155 PolarHBondContact O-N 3.43Å; V152-A155 PolarHBondContact O-N 2.99Å; V152-A155 VanDerWaalsContact O-N 3.1Å; A155-P157 VanDerWaalsContact C-CD 3.47Å; A155-P157 WeakPolarHBondContact O-CD 3.41Å
156F96.3Very high96.8Very high0 Ų048.6 Ų48.60%026%0.256CS..  trans-127.761.8-175.9-50.6-68.2000112V79 I81 T84 L86 I136 V152 A153 R154 E158 Y159V79-F156 HydrophobicContact CB-CE2 4.24Å; V79-F156 HydrophobicContact CB-CZ 4.45Å; V79-F156 HydrophobicContact CG1-CE2 3.75Å; V79-F156 HydrophobicContact CG1-CZ 4.07Å; V79-F156 WeakPolarHBondContact O-CZ 3.38Å; I81-F156 HydrophobicContact CB-CD1 3.79Å; I81-F156 HydrophobicContact CB-CE1 3.67Å; I81-F156 HydrophobicContact CB-CG 4.43Å; I81-F156 HydrophobicContact CB-CZ 4.22Å; I81-F156 HydrophobicContact CD1-CD1 4.24Å; I81-F156 HydrophobicContact CD1-CD2 3.94Å; I81-F156 HydrophobicContact CD1-CE1 4.37Å; I81-F156 HydrophobicContact CD1-CE2 4.09Å; I81-F156 HydrophobicContact CD1-CG 4.02Å; I81-F156 HydrophobicContact CD1-CZ 4.3Å; I81-F156 HydrophobicContact CG1-CD1 4.36Å; I81-F156 HydrophobicContact CG1-CE1 4.13Å; I81-F156 HydrophobicContact CG1-CE2 4.45Å; I81-F156 HydrophobicContact CG1-CZ 4.18Å; T84-F156 HydrophobicContact CG2-CE1 4.03Å; L86-F156 HydrophobicContact CB-CE2 3.99Å; L86-F156 HydrophobicContact CB-CZ 3.94Å; L86-F156 HydrophobicContact CD2-CE2 4.46Å; I136-F156 HydrophobicContact CD1-CB 3.66Å; I136-F156 HydrophobicContact CD1-CD2 3.85Å; I136-F156 HydrophobicContact CD1-CG 4.03Å; V152-F156 HydrophobicContact CG1-CD2 3.99Å; V152-F156 HydrophobicContact CG1-CE2 4.33Å; V152-F156 WeakPolarHBondContact O-CD2 3.22Å; V152-F156 PolarHBondContact O-N 2.79Å; V152-F156 VanDerWaalsContact O-N 3.13Å; A153-F156 CarbonylContact O-C 3.58Å; R154-F156 VanDerWaalsContact C-N 3.34Å; F156-E158 WeakPolarHBondContact CA-OE2 3.39Å; F156-E158 PolarHBondContact O-N 2.8Å; F156-E158 VanDerWaalsContact O-N 3.08Å; F156-Y159 HydrophobicContact CB-CD2 4.29Å; F156-Y159 PolarHBondContact O-N 2.81Å
157P95.9Very high96.8Very high104 Ų10443.3 Ų43.368%0.67523%0.232SC*.THydrogen-bonded Turntrans-64-15.3-174.229.3-37.2000113.9A155 Y159A155-P157 VanDerWaalsContact C-CD 3.47Å; A155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-Y159 PolarHBondContact O-N 3.46Å
158E94.8Very high96.6Very high101 Ų10149 Ų4947%0.47225%0.252SS..THydrogen-bonded Turntrans-73.9-12.5175.572.9-83.9-16000113.7F156F156-E158 WeakPolarHBondContact CA-OE2 3.39Å; F156-E158 PolarHBondContact O-N 2.8Å; F156-E158 VanDerWaalsContact O-N 3.08Å
159Y96.2Very high96.4Very high44 Ų4453.4 Ų53.417%0.17328%0.281CS..SBendtrans-117.4130.1179.5-65.2-66.2000111.3I81 N82 F131 Q134 I136 F156 P157 T161I81-Y159 HydrophobicContact CG2-CD2 3.99Å; I81-Y159 HydrophobicContact CG2-CE2 3.43Å; I81-Y159 VanDerWaalsContact CG2-CE2 3.43Å; N82-Y159 PolarHBondContact ND2-OH 3.38Å; F131-Y159 AromaticContact CE2-CD1 3.75Å; F131-Y159 HydrophobicContact CE2-CD1 3.75Å; F131-Y159 HydrophobicContact CE2-CD2 4.01Å; F131-Y159 AromaticContact CE2-CE1 3.59Å; F131-Y159 HydrophobicContact CE2-CE1 3.59Å; F131-Y159 AromaticContact CE2-CE2 3.89Å; F131-Y159 HydrophobicContact CE2-CE2 3.89Å; F131-Y159 AromaticContact CE2-CG 3.95Å; F131-Y159 HydrophobicContact CE2-CG 3.95Å; F131-Y159 AromaticContact CE2-CZ 3.67Å; F131-Y159 HydrophobicContact CZ-CD1 4.43Å; F131-Y159 AromaticContact CZ-CE1 3.81Å; F131-Y159 HydrophobicContact CZ-CE1 3.81Å; F131-Y159 HydrophobicContact CZ-CE2 4.06Å; F131-Y159 AromaticContact CZ-CZ 3.6Å; Q134-Y159 WeakPolarHBondContact O-CD1 3.3Å; I136-Y159 HydrophobicContact CD1-CD2 4.46Å; F156-Y159 HydrophobicContact CB-CD2 4.29Å; F156-Y159 PolarHBondContact O-N 2.81Å; P157-Y159 PolarHBondContact O-N 3.46Å; Y159-T161 PolarHBondContact O-N 3.47Å; Y159-T161 PolarHBondContact O-OG1 3.15Å
160A96.6Very high96.3Very high47 Ų4754.1 Ų54.139%0.38828%0.284SS..  trans-56133.4167.300000109E135 I136E135-A160 HydrophobicContact CB-CB 4.27Å; E135-A160 WeakPolarHBondContact CB-O 3.21Å; I136-A160 PolarHBondContact N-O 3.07Å
161T97.9Very high96.1Very high36 Ų3653.3 Ų53.322%0.22128%0.277CS..EExtended strand (participates in β ladder)trans-120.1117.2179.9-59.90000109.3I136 V138 A153 Y159I136-T161 HydrophobicContact CB-CG2 4.28Å; I136-T161 HydrophobicContact CG2-CG2 4.25Å; I136-T161 CarbonylContact O-C 3.47Å; I136-T161 VanDerWaalsContact O-CA 3.29Å; I136-T161 WeakPolarHBondContact O-CA 3.16Å; V138-T161 HydrophobicContact CG2-CG2 3.86Å; A153-T161 HydrophobicContact CB-CG2 3.99Å; Y159-T161 PolarHBondContact O-N 3.47Å; Y159-T161 PolarHBondContact O-OG1 3.15Å
162S97.7Very high96Very high16 Ų1653.1 Ų53.111%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-108.7144.3178.8-65.80000110.9I136 I137 V138 V203I136-S162 PolarHBondContact O-N 2.96Å; I137-S162 CarbonylContact C-O 3.56Å; I137-S162 WeakPolarHBondContact CA-O 3.38Å; V138-S162 PolarHBondContact N-O 3.32Å; S162-V203 PolarHBondContact OG-O 3.39Å
163I97.8Very high96Very high55 Ų5553.1 Ų53.128%0.28228%0.276SS..EExtended strand (participates in β ladder)trans-107.3132.8-178.5-58.5-179.9000108.6V138 I140 A149V138-I163 WeakPolarHBondContact O-CA 3.44Å; I140-I163 HydrophobicContact CD1-CG2 3.6Å; I140-I163 HydrophobicContact CG1-CG2 3.35Å; A149-I163 HydrophobicContact CB-CD1 3.68Å; A149-I163 HydrophobicContact CB-CG1 3.87Å
164V97.9Very high96Very high2 Ų253.1 Ų53.11%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-127.8143.7175.9-62.40000110.6I137 V138 G139 I140 L173 L196 E199 I200 V203I137-V164 HydrophobicContact CG2-CG1 4Å; I137-V164 HydrophobicContact CG2-CG2 3.71Å; V138-V164 PolarHBondContact O-N 2.9Å; G139-V164 CarbonylContact C-O 3.55Å; G139-V164 WeakPolarHBondContact CA-O 3.42Å; I140-V164 PolarHBondContact N-O 3.19Å; V164-L173 HydrophobicContact CG2-CD1 3.96Å; V164-L196 HydrophobicContact CB-CD1 4.3Å; V164-L196 HydrophobicContact CG2-CD1 3.9Å; V164-E199 HydrophobicContact CB-CG 4.19Å; V164-E199 HydrophobicContact CG1-CG 4.09Å; V164-I200 HydrophobicContact CG1-CG1 3.98Å; V164-V203 HydrophobicContact CG1-CG2 3.62Å
165K97.4Very high96Very high168 Ų16848.5 Ų48.573%0.7325%0.254SS*.EExtended strand (participates in β ladder)trans-81.4126.2173.4-174.9174.3-178.5174.90109.9P167K165-P167 WeakPolarHBondContact O-CD 3.06Å
166L96.4Very high96Very high14 Ų1447.8 Ų47.87%0.07325%0.249CC..PPolyproline II helixtrans-75.9120.5178.6-168.567.8000110.6I140 F170 A176 L196I140-L166 VanDerWaalsContact O-CB 3.25Å; I140-L166 WeakPolarHBondContact O-CB 3.48Å; I140-L166 PolarHBondContact O-N 3.41Å; L166-F170 HydrophobicContact CD1-CB 3.78Å; L166-F170 HydrophobicContact CD2-CB 4.04Å; L166-F170 VanDerWaalsContact CD2-O 3.3Å; L166-F170 WeakPolarHBondContact CD2-O 2.89Å; L166-F170 HydrophobicContact CG-CB 3.89Å; L166-A176 HydrophobicContact CD1-CB 4.48Å; L166-L196 HydrophobicContact CD1-CD2 4.31Å
167P95.5Very high96Very high14 Ų1447.8 Ų47.89%0.09125%0.249CC..PPolyproline II helixtrans-77146.3174.329-29.1000111K165 F170 A192 L196K165-P167 WeakPolarHBondContact O-CD 3.06Å; P167-F170 HydrophobicContact CG-CD2 4.17Å; P167-F170 WeakPolarHBondContact O-CD2 3.29Å; P167-F170 PolarHBondContact O-N 2.92Å; P167-A192 HydrophobicContact CB-CB 4.21Å; P167-A192 HydrophobicContact CG-CB 4.2Å; P167-A192 VanDerWaalsContact CG-O 3.24Å; P167-A192 WeakPolarHBondContact CG-O 3.44Å; P167-L196 HydrophobicContact CG-CB 3.91Å
168Q93.8Very high96.1Very high156 Ų15643 Ų4373%0.72922%0.218SC*.THydrogen-bonded Turntrans-64.5145168.3-66.9-64.3-38.700109.8A192Q168-A192 VanDerWaalsContact O-CB 3.27Å; Q168-A192 WeakPolarHBondContact O-CB 3.25Å
169P93.2Very high96.3Very high93 Ų9338.9 Ų38.960%0.60420%0.2SC*.THydrogen-bonded Turncis-9715.510.338.9-36.5000114.6
170F94.6Very high96.3Very high17 Ų1736.8 Ų36.88%0.07519%0.191CC..  trans-66138.2-179.4-60.8-64.1000111.3L166 P167 A176 A192 A193 D216L166-F170 HydrophobicContact CD1-CB 3.78Å; L166-F170 HydrophobicContact CD2-CB 4.04Å; L166-F170 VanDerWaalsContact CD2-O 3.3Å; L166-F170 WeakPolarHBondContact CD2-O 2.89Å; L166-F170 HydrophobicContact CG-CB 3.89Å; P167-F170 HydrophobicContact CG-CD2 4.17Å; P167-F170 WeakPolarHBondContact O-CD2 3.29Å; P167-F170 PolarHBondContact O-N 2.92Å; F170-A176 HydrophobicContact CB-CB 4.11Å; F170-A176 HydrophobicContact CD1-CB 3.5Å; F170-A176 HydrophobicContact CD2-CB 3.55Å; F170-A176 HydrophobicContact CE1-CB 3.68Å; F170-A176 HydrophobicContact CE2-CB 3.72Å; F170-A176 HydrophobicContact CG-CB 3.44Å; F170-A176 VanDerWaalsContact CG-CB 3.44Å; F170-A176 HydrophobicContact CZ-CB 3.8Å; F170-A192 HydrophobicContact CD2-CB 4.23Å; F170-A192 HydrophobicContact CE2-CB 3.71Å; F170-A193 HydrophobicContact CE2-CB 4.21Å; F170-A193 HydrophobicContact CZ-CB 3.96Å; F170-D216 HydrophobicContact CE1-CB 3.92Å; F170-D216 HydrophobicContact CZ-CB 4.11Å; F170-D216 WeakPolarHBondContact CZ-OD2 3.34Å
171R92Very high96.3Very high76 Ų7634.5 Ų34.529%0.28717%0.173SC..SBendtrans-95-29.8179.5-73.8-172.8-84.1174.2-1.3112.9N27N27-R171 PolarHBondContact O-NH1 3.03Å
172S95.4Very high96.1Very high1 Ų136.7 Ų36.71%0.00718%0.182CC..SBendtrans-140161.7172.767.70000111.2S127 D128 K174 D175S127-S172 WeakPolarHBondContact O-CB 3.35Å; S127-S172 WeakPolarHBondContact OG-CB 3.44Å; D128-S172 WeakPolarHBondContact OD1-CA 3.43Å; S172-K174 VanDerWaalsContact C-N 3.34Å; S172-K174 PolarHBondContact O-N 3.07Å; S172-D175 PolarHBondContact N-OD2 3.21Å; S172-D175 PolarHBondContact O-N 3.38Å; S172-D175 PolarHBondContact OG-N 3.16Å; S172-D175 PolarHBondContact OG-OD1 2.98Å; S172-D175 PolarHBondContact OG-OD2 3.01Å
173L97.6Very high95.9Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-57.4-45.1175.7-174.563.8000112.3S127 D128 L130 I137 V164 D175 A176 V177 L196S127-L173 PolarHBondContact O-N 2.91Å; D128-L173 WeakPolarHBondContact O-CD2 3.44Å; D128-L173 PolarHBondContact OD1-N 2.99Å; L130-L173 HydrophobicContact CB-CD2 3.65Å; L130-L173 HydrophobicContact CB-CG 4.39Å; I137-L173 HydrophobicContact CB-CD2 4.25Å; I137-L173 HydrophobicContact CG2-CD2 3.85Å; I137-L173 VanDerWaalsContact O-CD2 3.31Å; I137-L173 WeakPolarHBondContact O-CD2 3.35Å; V164-L173 HydrophobicContact CG2-CD1 3.96Å; L173-D175 PolarHBondContact O-N 3.29Å; L173-A176 WeakPolarHBondContact O-CB 3.27Å; L173-A176 PolarHBondContact O-N 3.19Å; L173-V177 HydrophobicContact CD1-CG1 3.68Å; L173-V177 HydrophobicContact CG-CG1 3.87Å; L173-V177 WeakPolarHBondContact O-CG1 3.36Å; L173-V177 PolarHBondContact O-N 3.04Å; L173-L196 HydrophobicContact CD1-CD1 4.06Å; L173-L196 HydrophobicContact CD1-CD2 3.98Å
174K97.5Very high95.9Very high31 Ų3137.1 Ų37.114%0.13518%0.184CC..Hα-helixtrans-69-19.5-178.6-69-178.3-162.3165.60113.6D75 G126 S127 V129 L130 S172 A176 V177 N220D75-K174 IonicContact OD1-NZ 3.93Å; D75-K174 PolarHBondContact OD1-NZ 2.89Å; D75-K174 IonicContact OD2-NZ 2.98Å; D75-K174 PolarHBondContact OD2-NZ 3.09Å; G126-K174 WeakPolarHBondContact O-CE 3.24Å; G126-K174 PolarHBondContact O-NZ 3.06Å; S127-K174 WeakPolarHBondContact O-CB 3.45Å; S127-K174 VanDerWaalsContact O-CG 3.29Å; S127-K174 WeakPolarHBondContact O-CG 3.35Å; S127-K174 PolarHBondContact O-N 3.4Å; V129-K174 WeakPolarHBondContact O-CE 3.5Å; L130-K174 HydrophobicContact CD1-CG 4.33Å; S172-K174 VanDerWaalsContact C-N 3.34Å; S172-K174 PolarHBondContact O-N 3.07Å; K174-A176 PolarHBondContact O-N 2.88Å; K174-V177 WeakPolarHBondContact CA-O 3.47Å; K174-N220 PolarHBondContact O-ND2 3.06Å
175D94.8Very high95.9Very high29 Ų2937.1 Ų37.116%0.15518%0.184CC..Hα-helixtrans-71.8-19.8171.2-63.8-34.2000112S172 L173 S265 K268S172-D175 PolarHBondContact N-OD2 3.21Å; S172-D175 PolarHBondContact O-N 3.38Å; S172-D175 PolarHBondContact OG-N 3.16Å; S172-D175 PolarHBondContact OG-OD1 2.98Å; S172-D175 PolarHBondContact OG-OD2 3.01Å; L173-D175 PolarHBondContact O-N 3.29Å; D175-S265 PolarHBondContact OD1-OG 3.35Å; D175-K268 IonicContact OD2-NZ 2.71Å
176A96.2Very high95.9Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-104.6-32.3-175.900000113.9L166 F170 L173 K174 L196L166-A176 HydrophobicContact CD1-CB 4.48Å; F170-A176 HydrophobicContact CB-CB 4.11Å; F170-A176 HydrophobicContact CD1-CB 3.5Å; F170-A176 HydrophobicContact CD2-CB 3.55Å; F170-A176 HydrophobicContact CE1-CB 3.68Å; F170-A176 HydrophobicContact CE2-CB 3.72Å; F170-A176 HydrophobicContact CG-CB 3.44Å; F170-A176 VanDerWaalsContact CG-CB 3.44Å; F170-A176 HydrophobicContact CZ-CB 3.8Å; L173-A176 WeakPolarHBondContact O-CB 3.27Å; L173-A176 PolarHBondContact O-N 3.19Å; K174-A176 PolarHBondContact O-N 2.88Å; A176-L196 HydrophobicContact CB-CD2 3.36Å
177V97.7Very high96Very high0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-143.1135.9-176.354.20000111L130 L173 K174 L185 A186 V187 L196 I200L130-V177 HydrophobicContact CD2-CG1 3.99Å; L130-V177 HydrophobicContact CD2-CG2 3.99Å; L173-V177 HydrophobicContact CD1-CG1 3.68Å; L173-V177 HydrophobicContact CG-CG1 3.87Å; L173-V177 WeakPolarHBondContact O-CG1 3.36Å; L173-V177 PolarHBondContact O-N 3.04Å; K174-V177 WeakPolarHBondContact CA-O 3.47Å; V177-L185 HydrophobicContact CG2-CB 4.25Å; V177-L185 HydrophobicContact CG2-CD1 4.37Å; V177-L185 HydrophobicContact CG2-CD2 4.27Å; V177-A186 WeakPolarHBondContact CA-O 3.29Å; V177-V187 HydrophobicContact CB-CG2 4.1Å; V177-V187 HydrophobicContact CG2-CG2 3.77Å; V177-L196 HydrophobicContact CG1-CD2 4.23Å; V177-I200 HydrophobicContact CG1-CD1 4.19Å
178G97.7Very high96.1Very high4 Ų428 Ų284%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-126154.3175.700000112.5A180 L185 A186 A219G178-A180 PolarHBondContact O-N 3.28Å; G178-L185 CarbonylContact O-C 3.6Å; G178-L185 WeakPolarHBondContact O-CA 3.34Å; G178-A186 PolarHBondContact N-O 3.42Å; G178-A186 PolarHBondContact O-N 3.07Å; G178-A219 VanDerWaalsContact CA-O 3.3Å; G178-A219 WeakPolarHBondContact CA-O 3.35Å; G178-A219 PolarHBondContact N-O 3.3Å
179V97.5Very high96.3Very high13 Ų1325 Ų258%0.07913%0.13CC..EExtended strand (participates in β ladder)trans-83.5106.3167.9179.70000107.9F3 L130 G181 L185 Y223F3-V179 HydrophobicContact CE1-CB 4.4Å; F3-V179 HydrophobicContact CE1-CG1 4.03Å; F3-V179 HydrophobicContact CE2-CG1 4.07Å; F3-V179 HydrophobicContact CZ-CB 4.34Å; F3-V179 HydrophobicContact CZ-CG1 3.64Å; F3-V179 HydrophobicContact CZ-CG2 4.3Å; L130-V179 HydrophobicContact CD1-CG2 3.97Å; L130-V179 HydrophobicContact CG-CG2 4.19Å; V179-G181 VanDerWaalsContact CG1-O 3.32Å; V179-G181 WeakPolarHBondContact CG1-O 3.34Å; V179-L185 HydrophobicContact CG2-CD2 4.09Å; V179-Y223 WeakPolarHBondContact O-CB 3.27Å
180A97.4Very high96.5Very high0 Ų022.3 Ų22.30%011%0.113CC..EExtended strand (participates in β ladder)trans-85.6-14.2179.800000112.8G178 V184 A186 V221 Y223 L228 I247 Y249G178-A180 PolarHBondContact O-N 3.28Å; A180-V184 HydrophobicContact CB-CG1 4.11Å; A180-V184 PolarHBondContact N-O 2.81Å; A180-A186 HydrophobicContact CB-CB 4.03Å; A180-V221 HydrophobicContact CB-CG2 4.28Å; A180-Y223 WeakPolarHBondContact O-CD2 3.36Å; A180-L228 HydrophobicContact CB-CD1 4.26Å; A180-L228 HydrophobicContact CB-CD2 4.49Å; A180-I247 HydrophobicContact CB-CD1 4.45Å; A180-Y249 WeakPolarHBondContact O-CE2 3.43Å; A180-Y249 PolarHBondContact O-OH 2.82Å
181G96Very high96.6Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans176.8-177.9178.900000111.9V179 N183 V184V179-G181 VanDerWaalsContact CG1-O 3.32Å; V179-G181 WeakPolarHBondContact CG1-O 3.34Å; G181-N183 PolarHBondContact O-N 3.37Å; G181-N183 VanDerWaalsContact O-N 3.07Å; G181-V184 PolarHBondContact N-O 3.39Å; G181-V184 PolarHBondContact O-N 2.7Å
182I94.2Very high96.9Very high81 Ų8125 Ų2542%0.41513%0.131SC..THydrogen-bonded Turntrans-58.6117.2174.8-53.8-57.2000109.6F3 V184 Y223F3-I182 HydrophobicContact CD2-CD1 3.58Å; F3-I182 HydrophobicContact CE2-CD1 4.07Å; I182-V184 PolarHBondContact O-N 2.66Å; I182-Y223 HydrophobicContact CD1-CE1 3.88Å; I182-Y223 HydrophobicContact CG1-CE1 4.04Å
183N94.3Very high97Very high64 Ų6425 Ų2534%0.34213%0.131SC..THydrogen-bonded Turntrans60.723.8-178.4-52.3-17.2000114.2Q134 G181 K209Q134-N183 PolarHBondContact NE2-OD1 2.97Å; G181-N183 PolarHBondContact O-N 3.37Å; G181-N183 VanDerWaalsContact O-N 3.07Å; N183-K209 PolarHBondContact O-N 3.28Å
184V96.8Very high97Very high16 Ų1629.8 Ų29.810%0.09715%0.152CC..EExtended strand (participates in β ladder)trans-121.5121177.9-1710000110.3A180 G181 I182 K209 I211A180-V184 HydrophobicContact CB-CG1 4.11Å; A180-V184 PolarHBondContact N-O 2.81Å; G181-V184 PolarHBondContact N-O 3.39Å; G181-V184 PolarHBondContact O-N 2.7Å; I182-V184 PolarHBondContact O-N 2.66Å; V184-K209 CarbonylContact C-O 3.47Å; V184-K209 VanDerWaalsContact CA-O 3.29Å; V184-K209 WeakPolarHBondContact CA-O 3.4Å; V184-K209 HydrophobicContact CG2-CB 4.32Å; V184-K209 HydrophobicContact CG2-CD 4.36Å; V184-I211 HydrophobicContact CG1-CD1 3.57Å; V184-I211 HydrophobicContact CG1-CG1 3.8Å
185L97.8Very high97Very high2 Ų234.4 Ų34.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-103.2136.6171.5-61.7-179.5000110.3L130 V177 G178 V179 Y208 K209 V210 I211L130-L185 HydrophobicContact CD2-CD2 4.21Å; V177-L185 HydrophobicContact CG2-CB 4.25Å; V177-L185 HydrophobicContact CG2-CD1 4.37Å; V177-L185 HydrophobicContact CG2-CD2 4.27Å; G178-L185 CarbonylContact O-C 3.6Å; G178-L185 WeakPolarHBondContact O-CA 3.34Å; V179-L185 HydrophobicContact CG2-CD2 4.09Å; L185-Y208 HydrophobicContact CD1-CD1 4.32Å; L185-Y208 HydrophobicContact CD1-CD2 3.8Å; L185-Y208 HydrophobicContact CD1-CE2 4.45Å; L185-Y208 HydrophobicContact CD1-CG 3.74Å; L185-Y208 HydrophobicContact CG-CD1 4.12Å; L185-Y208 HydrophobicContact CG-CD2 4.45Å; L185-Y208 HydrophobicContact CG-CG 3.89Å; L185-K209 PolarHBondContact N-O 2.97Å; L185-V210 CarbonylContact O-C 3.57Å; L185-V210 WeakPolarHBondContact O-CA 3.46Å; L185-I211 PolarHBondContact O-N 3.29Å
186A98.3Very high97.1Very high0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-96.9131.3166.200000109V177 G178 A180 I211 L213 A219 V221V177-A186 WeakPolarHBondContact CA-O 3.29Å; G178-A186 PolarHBondContact N-O 3.42Å; G178-A186 PolarHBondContact O-N 3.07Å; A180-A186 HydrophobicContact CB-CB 4.03Å; A186-I211 WeakPolarHBondContact CA-O 2.99Å; A186-L213 HydrophobicContact CB-CD1 3.97Å; A186-A219 HydrophobicContact CB-CB 4.38Å; A186-V221 HydrophobicContact CB-CG2 4.5Å
187V98.1Very high97.1Very high2 Ų235.3 Ų35.31%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-143.3145179.8-176.20000109.2V177 A193 L197 V210 I211 T212 L213V177-V187 HydrophobicContact CB-CG2 4.1Å; V177-V187 HydrophobicContact CG2-CG2 3.77Å; V187-A193 HydrophobicContact CG1-CB 3.84Å; V187-L197 HydrophobicContact CG1-CB 4.32Å; V187-L197 HydrophobicContact CG2-CD1 4.25Å; V187-V210 HydrophobicContact CB-CG1 4.48Å; V187-V210 HydrophobicContact CG2-CG1 4.44Å; V187-I211 PolarHBondContact N-O 2.85Å; V187-T212 CarbonylContact O-C 3.4Å; V187-T212 VanDerWaalsContact O-CA 3.27Å; V187-T212 WeakPolarHBondContact O-CA 3.37Å; V187-L213 PolarHBondContact O-N 3.43Å
188G97.6Very high97.1Very high2 Ų243 Ų432%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-66.1174.5172.700000114.9A193 L213 D216G188-A193 WeakPolarHBondContact O-CB 3.31Å; G188-L213 CarbonylContact C-O 3.51Å; G188-L213 WeakPolarHBondContact CA-O 3.11Å; G188-D216 VanDerWaalsContact CA-OD1 3.23Å; G188-D216 WeakPolarHBondContact CA-OD1 3.49Å
189E96.9Very high97Very high95 Ų9546 Ų4644%0.44423%0.225SC..SBendtrans-105.32.717876.6178.9-176.900114.4K194 T212 L213 D216E189-K194 WeakPolarHBondContact O-CE 3.44Å; E189-K194 PolarHBondContact O-NZ 3.29Å; E189-K194 VanDerWaalsContact O-NZ 3.09Å; E189-T212 HydrophobicContact CB-CG2 3.74Å; E189-L213 PolarHBondContact N-O 2.93Å; E189-D216 PolarHBondContact N-OD1 2.8Å
190S97.5Very high96.9Very high36 Ų3645.6 Ų45.625%0.25222%0.222SC..SBendtrans-63.4159173.277.60000112.1A192 A193 K194 D216S190-A192 PolarHBondContact O-N 2.9Å; S190-A193 PolarHBondContact O-N 3.17Å; S190-A193 VanDerWaalsContact O-N 3.13Å; S190-A193 WeakPolarHBondContact OG-CB 3.28Å; S190-A193 PolarHBondContact OG-N 2.62Å; S190-A193 VanDerWaalsContact OG-N 3.12Å; S190-K194 WeakPolarHBondContact O-CG 3.43Å; S190-K194 PolarHBondContact O-N 2.98Å; S190-D216 WeakPolarHBondContact CB-OD1 3.04Å; S190-D216 WeakPolarHBondContact CB-OD2 3.42Å; S190-D216 PolarHBondContact N-OD1 3.15Å; S190-D216 VanDerWaalsContact OG-CG 3.31Å; S190-D216 PolarHBondContact OG-OD1 3.11Å; S190-D216 PolarHBondContact OG-OD2 2.9Å
191E97.5Very high96.8Very high137 Ų13748.5 Ų48.564%0.6425%0.252SS*.Hα-helixtrans-60.9-35.2176.7-65-54.2116.800112.1K194 Q195E191-K194 IonicContact OE1-NZ 2.8Å; E191-K194 PolarHBondContact OE1-NZ 2.79Å; E191-Q195 WeakPolarHBondContact O-CB 3.05Å; E191-Q195 PolarHBondContact O-N 3.39Å
192A97.5Very high96.8Very high13 Ų1357.7 Ų57.711%0.10729%0.287CS..Hα-helixtrans-64.3-44.117400000111.5P167 Q168 F170 S190 Q195 L196P167-A192 HydrophobicContact CB-CB 4.21Å; P167-A192 HydrophobicContact CG-CB 4.2Å; P167-A192 VanDerWaalsContact CG-O 3.24Å; P167-A192 WeakPolarHBondContact CG-O 3.44Å; Q168-A192 VanDerWaalsContact O-CB 3.27Å; Q168-A192 WeakPolarHBondContact O-CB 3.25Å; F170-A192 HydrophobicContact CD2-CB 4.23Å; F170-A192 HydrophobicContact CE2-CB 3.71Å; S190-A192 PolarHBondContact O-N 2.9Å; A192-Q195 PolarHBondContact O-N 3.49Å; A192-L196 PolarHBondContact O-N 3.28Å
193A97.7Very high96.8Very high0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-64.4-44178.800000111.5F170 V187 G188 S190 Q195 L196 L197F170-A193 HydrophobicContact CE2-CB 4.21Å; F170-A193 HydrophobicContact CZ-CB 3.96Å; V187-A193 HydrophobicContact CG1-CB 3.84Å; G188-A193 WeakPolarHBondContact O-CB 3.31Å; S190-A193 PolarHBondContact O-N 3.17Å; S190-A193 VanDerWaalsContact O-N 3.13Å; S190-A193 WeakPolarHBondContact OG-CB 3.28Å; S190-A193 PolarHBondContact OG-N 2.62Å; S190-A193 VanDerWaalsContact OG-N 3.12Å; A193-Q195 PolarHBondContact O-N 2.72Å; A193-L196 PolarHBondContact O-N 3.31Å; A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.35Å
194K97.1Very high96.7Very high100 Ų10053.9 Ų53.944%0.43527%0.272SS..Hα-helixtrans-62.4-41.3174.8-69.5173.5-170152.40112.3E189 S190 E191 L197 K198E189-K194 WeakPolarHBondContact O-CE 3.44Å; E189-K194 PolarHBondContact O-NZ 3.29Å; E189-K194 VanDerWaalsContact O-NZ 3.09Å; S190-K194 WeakPolarHBondContact O-CG 3.43Å; S190-K194 PolarHBondContact O-N 2.98Å; E191-K194 IonicContact OE1-NZ 2.8Å; E191-K194 PolarHBondContact OE1-NZ 2.79Å; K194-L197 PolarHBondContact O-N 3.3Å; K194-K198 WeakPolarHBondContact O-CB 3.48Å; K194-K198 PolarHBondContact O-N 3.49Å
195Q97.3Very high96.4Very high129 Ų12957 Ų5760%0.60330%0.295SS*.Hα-helixtrans-61.4-47.3176.1-179.2-179.4-2.200111E191 A192 A193 K198 E199E191-Q195 WeakPolarHBondContact O-CB 3.05Å; E191-Q195 PolarHBondContact O-N 3.39Å; A192-Q195 PolarHBondContact O-N 3.49Å; A193-Q195 PolarHBondContact O-N 2.72Å; Q195-K198 PolarHBondContact O-N 3.27Å; Q195-E199 PolarHBondContact O-N 3.3Å
196L97.3Very high96.2Very high2 Ų260 Ų601%0.0131%0.309CS..Hα-helixtrans-60.3-46.5176.9178.263.6000111.5V164 L166 P167 L173 A176 V177 A192 A193 K198 E199 I200V164-L196 HydrophobicContact CB-CD1 4.3Å; V164-L196 HydrophobicContact CG2-CD1 3.9Å; L166-L196 HydrophobicContact CD1-CD2 4.31Å; P167-L196 HydrophobicContact CG-CB 3.91Å; L173-L196 HydrophobicContact CD1-CD1 4.06Å; L173-L196 HydrophobicContact CD1-CD2 3.98Å; A176-L196 HydrophobicContact CB-CD2 3.36Å; V177-L196 HydrophobicContact CG1-CD2 4.23Å; A192-L196 PolarHBondContact O-N 3.28Å; A193-L196 PolarHBondContact O-N 3.31Å; L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 3.45Å; L196-E199 PolarHBondContact O-N 3Å; L196-E199 VanDerWaalsContact O-N 3.12Å; L196-I200 HydrophobicContact CD1-CD1 4.32Å; L196-I200 HydrophobicContact CD1-CG1 4.44Å; L196-I200 HydrophobicContact CG-CD1 4.04Å; L196-I200 WeakPolarHBondContact O-CG1 3.48Å; L196-I200 PolarHBondContact O-N 2.54Å
197L96.9Very high95.9Very high46 Ų4666.4 Ų66.424%0.24135%0.348CS..Hα-helixtrans-59.9-39.9178177.861.7000112.2V187 A193 K194 E199 I200 G201 V210V187-L197 HydrophobicContact CG1-CB 4.32Å; V187-L197 HydrophobicContact CG2-CD1 4.25Å; A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.35Å; K194-L197 PolarHBondContact O-N 3.3Å; L197-E199 VanDerWaalsContact C-N 3.34Å; L197-I200 PolarHBondContact O-N 2.94Å; L197-G201 PolarHBondContact O-N 3.09Å; L197-V210 HydrophobicContact CD1-CG1 4.49Å; L197-V210 HydrophobicContact CD1-CG2 3.88Å; L197-V210 HydrophobicContact CD2-CG1 3.82Å; L197-V210 HydrophobicContact CD2-CG2 4.22Å
198K96.5Very high95.8Very high162 Ų16267.7 Ų67.770%0.70435%0.353SS*.Hα-helixtrans-64-39.8175.6-175.3-179.8178.5-178.30111.8K194 Q195 L196 G201 R202K194-K198 WeakPolarHBondContact O-CB 3.48Å; K194-K198 PolarHBondContact O-N 3.49Å; Q195-K198 PolarHBondContact O-N 3.27Å; L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 3.45Å; K198-G201 PolarHBondContact O-N 3.45Å; K198-R202 PolarHBondContact O-N 3.19Å
199E96.1Very high95.7Very high67 Ų6773.4 Ų73.431%0.31338%0.377SS..Hα-helixtrans-66.2-46.6176.6-168.365.2-173.900111V164 Q195 L196 L197 G201 R202 V203V164-E199 HydrophobicContact CB-CG 4.19Å; V164-E199 HydrophobicContact CG1-CG 4.09Å; Q195-E199 PolarHBondContact O-N 3.3Å; L196-E199 PolarHBondContact O-N 3Å; L196-E199 VanDerWaalsContact O-N 3.12Å; L197-E199 VanDerWaalsContact C-N 3.34Å; E199-G201 VanDerWaalsContact C-N 3.31Å; E199-G201 PolarHBondContact O-N 3.46Å; E199-R202 WeakPolarHBondContact O-CA 3.5Å; E199-R202 VanDerWaalsContact O-CB 3.28Å; E199-R202 WeakPolarHBondContact O-CB 3.32Å; E199-R202 PolarHBondContact O-N 3Å; E199-V203 WeakPolarHBondContact O-CG2 3.44Å; E199-V203 PolarHBondContact O-N 2.84Å
200I96.4Very high95.7Very high3 Ų371.5 Ų71.52%0.01537%0.372CS..Hα-helixtrans-54.1-49.1173-69.6170.8000110.2I137 V164 V177 L196 L197 R202 V203 A204I137-I200 HydrophobicContact CD1-CG1 4.4Å; I137-I200 HydrophobicContact CD1-CG2 3.68Å; I137-I200 HydrophobicContact CG2-CG1 4.33Å; V164-I200 HydrophobicContact CG1-CG1 3.98Å; V177-I200 HydrophobicContact CG1-CD1 4.19Å; L196-I200 HydrophobicContact CD1-CD1 4.32Å; L196-I200 HydrophobicContact CD1-CG1 4.44Å; L196-I200 HydrophobicContact CG-CD1 4.04Å; L196-I200 WeakPolarHBondContact O-CG1 3.48Å; L196-I200 PolarHBondContact O-N 2.54Å; L197-I200 PolarHBondContact O-N 2.94Å; I200-R202 PolarHBondContact O-N 3.41Å; I200-R202 VanDerWaalsContact O-N 3.11Å; I200-V203 PolarHBondContact O-N 3.03Å; I200-V203 VanDerWaalsContact O-N 3.15Å; I200-A204 HydrophobicContact CG2-CB 4.21Å; I200-A204 WeakPolarHBondContact O-CB 3.49Å; I200-A204 PolarHBondContact O-N 2.93Å
201G95.3Very high95.7Very high62 Ų6270 Ų7064%0.63936%0.361SS*.Hα-helixtrans-63.3-16.8178.600000114.9L197 K198 E199L197-G201 PolarHBondContact O-N 3.09Å; K198-G201 PolarHBondContact O-N 3.45Å; E199-G201 VanDerWaalsContact C-N 3.31Å; E199-G201 PolarHBondContact O-N 3.46Å
202R95.6Very high95.7Very high192 Ų19267 Ų6773%0.72535%0.352SS*.Hα-helixtrans-85-30.6176.1-119.3178.567.21182.8113.1K198 E199 I200K198-R202 PolarHBondContact O-N 3.19Å; E199-R202 WeakPolarHBondContact O-CA 3.5Å; E199-R202 VanDerWaalsContact O-CB 3.28Å; E199-R202 WeakPolarHBondContact O-CB 3.32Å; E199-R202 PolarHBondContact O-N 3Å; I200-R202 PolarHBondContact O-N 3.41Å; I200-R202 VanDerWaalsContact O-N 3.11Å
203V94.9Very high95.8Very high44 Ų4466.4 Ų66.427%0.26735%0.347SS..Hα-helixtrans-113.4-19-171.5-570000113.9S162 V164 E199 I200S162-V203 PolarHBondContact OG-O 3.39Å; V164-V203 HydrophobicContact CG1-CG2 3.62Å; E199-V203 WeakPolarHBondContact O-CG2 3.44Å; E199-V203 PolarHBondContact O-N 2.84Å; I200-V203 PolarHBondContact O-N 3.03Å; I200-V203 VanDerWaalsContact O-N 3.15Å
204A91.9Very high95.8Very high21 Ų2168.4 Ų68.417%0.17436%0.36CS..  trans-70140.917800000110.5E135 I200 H206 Y208E135-A204 WeakPolarHBondContact OE2-CA 3.34Å; I200-A204 HydrophobicContact CG2-CB 4.21Å; I200-A204 WeakPolarHBondContact O-CB 3.49Å; I200-A204 PolarHBondContact O-N 2.93Å; A204-H206 VanDerWaalsContact C-N 3.34Å; A204-Y208 HydrophobicContact CB-CE2 4.16Å
205S90.2Very high95.8Very high83 Ų8365 Ų6558%0.5835%0.346SS*.SBendtrans-82.2-17.1177-56.60000112.2E135E135-S205 PolarHBondContact OE1-N 3.29Å; E135-S205 PolarHBondContact OE2-N 3.33Å
206H92.7Very high95.8Very high65 Ų6560.4 Ų60.430%0.30133%0.325SS..SBendtrans-119155.3-176.6-53.983.9000112.6Q134 E135 A204 Y208Q134-H206 PolarHBondContact OE1-CD2 3.1Å; E135-H206 WeakPolarHBondContact OE1-CB 3.26Å; E135-H206 IonicContact OE1-CG 3.59Å; E135-H206 PolarHBondContact OE1-N 3.13Å; E135-H206 VanDerWaalsContact OE1-N 3.13Å; E135-H206 IonicContact OE1-ND1 3.62Å; E135-H206 PolarHBondContact OE1-ND1 3.02Å; E135-H206 IonicContact OE2-ND1 3.83Å; A204-H206 VanDerWaalsContact C-N 3.34Å; H206-Y208 HydrophobicContact CB-CE2 4.24Å; H206-Y208 WeakPolarHBondContact O-CE2 3.44Å
207T93.2Very high95.8Very high134 Ų13463 Ų6382%0.82234%0.337SS*.  trans-94.1134.3173.7-57.30000110.4
208Y95.1Very high95.8Very high29 Ų2960.8 Ų60.811%0.11433%0.326CS..  trans-115.7146.1179.7-57.7-80.6000111.2T132 E135 L185 A204 H206T132-Y208 WeakPolarHBondContact CB-OH 3.18Å; T132-Y208 HydrophobicContact CG2-CE1 4.08Å; T132-Y208 WeakPolarHBondContact CG2-OH 3.37Å; T132-Y208 PolarHBondContact OG1-OH 2.7Å; E135-Y208 WeakPolarHBondContact CG-OH 3.3Å; E135-Y208 PolarHBondContact OE1-OH 3.27Å; L185-Y208 HydrophobicContact CD1-CD1 4.32Å; L185-Y208 HydrophobicContact CD1-CD2 3.8Å; L185-Y208 HydrophobicContact CD1-CE2 4.45Å; L185-Y208 HydrophobicContact CD1-CG 3.74Å; L185-Y208 HydrophobicContact CG-CD1 4.12Å; L185-Y208 HydrophobicContact CG-CD2 4.45Å; L185-Y208 HydrophobicContact CG-CG 3.89Å; A204-Y208 HydrophobicContact CB-CE2 4.16Å; H206-Y208 HydrophobicContact CB-CE2 4.24Å; H206-Y208 WeakPolarHBondContact O-CE2 3.44Å
209K96.3Very high95.9Very high121 Ų12153.1 Ų53.153%0.52629%0.292SS..EExtended strand (participates in β ladder)trans-72.7131.4160.3-179.3-178.2176.4-171.90107.8N183 V184 L185N183-K209 PolarHBondContact O-N 3.28Å; V184-K209 CarbonylContact C-O 3.47Å; V184-K209 VanDerWaalsContact CA-O 3.29Å; V184-K209 WeakPolarHBondContact CA-O 3.4Å; V184-K209 HydrophobicContact CG2-CB 4.32Å; V184-K209 HydrophobicContact CG2-CD 4.36Å; L185-K209 PolarHBondContact N-O 2.97Å
210V97.2Very high96Very high55 Ų5550.1 Ų50.133%0.33328%0.278SS..EExtended strand (participates in β ladder)trans-106132.9178.7-178.80000110L185 V187 L197L185-V210 CarbonylContact O-C 3.57Å; L185-V210 WeakPolarHBondContact O-CA 3.46Å; V187-V210 HydrophobicContact CB-CG1 4.48Å; V187-V210 HydrophobicContact CG2-CG1 4.44Å; L197-V210 HydrophobicContact CD1-CG1 4.49Å; L197-V210 HydrophobicContact CD1-CG2 3.88Å; L197-V210 HydrophobicContact CD2-CG1 3.82Å; L197-V210 HydrophobicContact CD2-CG2 4.22Å
211I97.4Very high96Very high6 Ų650.4 Ų50.43%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-104.9112.3165.8-62.4176.3000107.1V184 L185 A186 V187 L213 V242 K246 I247V184-I211 HydrophobicContact CG1-CD1 3.57Å; V184-I211 HydrophobicContact CG1-CG1 3.8Å; L185-I211 PolarHBondContact O-N 3.29Å; A186-I211 WeakPolarHBondContact CA-O 2.99Å; V187-I211 PolarHBondContact N-O 2.85Å; I211-L213 HydrophobicContact CG2-CD2 3.9Å; I211-L213 HydrophobicContact CG2-CG 4.4Å; I211-V242 HydrophobicContact CG2-CG1 3.5Å; I211-K246 HydrophobicContact CD1-CB 4.09Å; I211-K246 HydrophobicContact CG1-CB 4.36Å; I211-I247 HydrophobicContact CD1-CD1 3.37Å; I211-I247 HydrophobicContact CD1-CG1 4.18Å
212T98Very high96.1Very high73 Ų7348.3 Ų48.345%0.44825%0.254SS..EExtended strand (participates in β ladder)trans-87.7129.1176.3-55.10000110.1V187 E189V187-T212 CarbonylContact O-C 3.4Å; V187-T212 VanDerWaalsContact O-CA 3.27Å; V187-T212 WeakPolarHBondContact O-CA 3.37Å; E189-T212 HydrophobicContact CB-CG2 3.74Å
213L98.3Very high96.2Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-114.2135-175.3-59.3170000110.2A186 V187 G188 E189 I211 E215 A218 A219 V242 F243A186-L213 HydrophobicContact CB-CD1 3.97Å; V187-L213 PolarHBondContact O-N 3.43Å; G188-L213 CarbonylContact C-O 3.51Å; G188-L213 WeakPolarHBondContact CA-O 3.11Å; E189-L213 PolarHBondContact N-O 2.93Å; I211-L213 HydrophobicContact CG2-CD2 3.9Å; I211-L213 HydrophobicContact CG2-CG 4.4Å; L213-E215 PolarHBondContact O-N 3.5Å; L213-E215 VanDerWaalsContact O-N 3.16Å; L213-A218 HydrophobicContact CB-CB 4.32Å; L213-A218 VanDerWaalsContact CD1-C 3.48Å; L213-A218 HydrophobicContact CD1-CB 3.86Å; L213-A218 WeakPolarHBondContact CD1-O 3.47Å; L213-A219 HydrophobicContact CD1-CB 4.21Å; L213-V242 HydrophobicContact CD2-CB 3.89Å; L213-V242 HydrophobicContact CD2-CG1 3.87Å; L213-F243 HydrophobicContact CD1-CE1 4.25Å; L213-F243 HydrophobicContact CD1-CE2 4.18Å; L213-F243 HydrophobicContact CD1-CZ 3.57Å; L213-F243 HydrophobicContact CD2-CD2 4.48Å; L213-F243 HydrophobicContact CD2-CE1 4.15Å; L213-F243 HydrophobicContact CD2-CE2 4.01Å; L213-F243 HydrophobicContact CD2-CZ 3.84Å; L213-F243 HydrophobicContact CG-CZ 4.38Å
214P97.7Very high96.3Very high43 Ų4338 Ų3828%0.27921%0.211SC..SBendtrans-60.4-20.6175.8-28.436.8000115.3K238P214-K238 HydrophobicContact CB-CB 3.89Å; P214-K238 HydrophobicContact CG-CB 4.44Å
215E97.7Very high96.4Very high28 Ų2838.7 Ų38.713%0.13121%0.212CC..SBendtrans-120.1116.9179.8-62.6160115.100109.4L213 H217 A218 I236 P237 K238 S239L213-E215 PolarHBondContact O-N 3.5Å; L213-E215 VanDerWaalsContact O-N 3.16Å; E215-H217 VanDerWaalsContact C-N 3.29Å; E215-H217 PolarHBondContact O-N 3.34Å; E215-A218 HydrophobicContact CB-CB 4.21Å; E215-A218 WeakPolarHBondContact O-CB 3.23Å; E215-A218 PolarHBondContact O-N 3.44Å; E215-I236 VanDerWaalsContact OE2-CA 3.23Å; E215-I236 WeakPolarHBondContact OE2-CA 3.46Å; E215-P237 WeakPolarHBondContact OE1-CD 3.45Å; E215-K238 HydrophobicContact CG-CB 4.1Å; E215-K238 HydrophobicContact CG-CD 4.38Å; E215-K238 WeakPolarHBondContact OE2-CA 3.45Å; E215-K238 WeakPolarHBondContact OE2-CB 3.4Å; E215-K238 PolarHBondContact OE2-N 2.55Å; E215-S239 WeakPolarHBondContact CB-OG 3.26Å; E215-S239 PolarHBondContact N-OG 3.18Å; E215-S239 VanDerWaalsContact N-OG 3.13Å; E215-S239 WeakPolarHBondContact OE2-CB 3.11Å; E215-S239 PolarHBondContact OE2-N 3.08Å; E215-S239 PolarHBondContact OE2-OG 3.47Å
216D97.5Very high96.6Very high33 Ų3339.2 Ų39.218%0.17621%0.205CC..G310 helixtrans-56.8-41.8-175.7-70.6-0.9000112.9F170 G188 E189 S190 A218 A219F170-D216 HydrophobicContact CE1-CB 3.92Å; F170-D216 HydrophobicContact CZ-CB 4.11Å; F170-D216 WeakPolarHBondContact CZ-OD2 3.34Å; G188-D216 VanDerWaalsContact CA-OD1 3.23Å; G188-D216 WeakPolarHBondContact CA-OD1 3.49Å; E189-D216 PolarHBondContact N-OD1 2.8Å; S190-D216 WeakPolarHBondContact CB-OD1 3.04Å; S190-D216 WeakPolarHBondContact CB-OD2 3.42Å; S190-D216 PolarHBondContact N-OD1 3.15Å; S190-D216 VanDerWaalsContact OG-CG 3.31Å; S190-D216 PolarHBondContact OG-OD1 3.11Å; S190-D216 PolarHBondContact OG-OD2 2.9Å; D216-A218 PolarHBondContact O-N 2.88Å; D216-A218 VanDerWaalsContact O-N 3.17Å; D216-A219 WeakPolarHBondContact O-CB 3.48Å; D216-A219 PolarHBondContact O-N 3.45Å
217H96.1Very high96.8Very high56 Ų5637.5 Ų37.526%0.25920%0.197SC..G310 helixtrans-66.7-17.4-179.865.8-77.4000113.4E215 A219 N220 M235 I236 F260E215-H217 VanDerWaalsContact C-N 3.29Å; E215-H217 PolarHBondContact O-N 3.34Å; H217-A219 PolarHBondContact O-N 2.79Å; H217-N220 PolarHBondContact O-N 3.42Å; H217-M235 PolarHBondContact NE2-O 2.83Å; H217-I236 WeakPolarHBondContact NE2-CG2 3.29Å; H217-F260 HydrophobicContact CB-CE2 3.89Å; H217-F260 HydrophobicContact CB-CZ 3.52Å; H217-F260 AromaticContact CD2-CZ 3.91Å; H217-F260 AromaticContact CG-CZ 3.88Å
218A97.9Very high97Very high0 Ų031.1 Ų31.10%016%0.158CC..G310 helixtrans-67.3-16.9172.700000112.5L213 E215 D216 N220 V221 I236 F243L213-A218 HydrophobicContact CB-CB 4.32Å; L213-A218 VanDerWaalsContact CD1-C 3.48Å; L213-A218 HydrophobicContact CD1-CB 3.86Å; L213-A218 WeakPolarHBondContact CD1-O 3.47Å; E215-A218 HydrophobicContact CB-CB 4.21Å; E215-A218 WeakPolarHBondContact O-CB 3.23Å; E215-A218 PolarHBondContact O-N 3.44Å; D216-A218 PolarHBondContact O-N 2.88Å; D216-A218 VanDerWaalsContact O-N 3.17Å; A218-N220 VanDerWaalsContact C-N 3.28Å; A218-N220 PolarHBondContact O-N 3.38Å; A218-V221 WeakPolarHBondContact O-CG1 3.36Å; A218-I236 HydrophobicContact CB-CB 3.98Å; A218-I236 HydrophobicContact CB-CD1 4.08Å; A218-I236 HydrophobicContact CB-CG2 3.49Å; A218-I236 VanDerWaalsContact CB-CG2 3.49Å; A218-F243 HydrophobicContact CB-CE2 4.42Å; A218-F243 WeakPolarHBondContact O-CZ 3.4Å
219A98.1Very high97.1Very high0 Ų029.8 Ų29.80%015%0.152CC..G310 helixtrans-72-19.5177.100000113.3G178 A186 L213 D216 H217 V221G178-A219 VanDerWaalsContact CA-O 3.3Å; G178-A219 WeakPolarHBondContact CA-O 3.35Å; G178-A219 PolarHBondContact N-O 3.3Å; A186-A219 HydrophobicContact CB-CB 4.38Å; L213-A219 HydrophobicContact CD1-CB 4.21Å; D216-A219 WeakPolarHBondContact O-CB 3.48Å; D216-A219 PolarHBondContact O-N 3.45Å; H217-A219 PolarHBondContact O-N 2.79Å; A219-V221 PolarHBondContact O-N 3.42Å
220N97.5Very high97.2Very high4 Ų424.1 Ų24.12%0.02113%0.128CC..  trans-75.496.2175.3-166.8-88.1000109.7K174 H217 A218 L266 S267K174-N220 PolarHBondContact O-ND2 3.06Å; H217-N220 PolarHBondContact O-N 3.42Å; A218-N220 VanDerWaalsContact C-N 3.28Å; A218-N220 PolarHBondContact O-N 3.38Å; N220-L266 VanDerWaalsContact OD1-CB 3.3Å; N220-L266 WeakPolarHBondContact OD1-CB 3.44Å; N220-L266 PolarHBondContact OD1-N 3.24Å; N220-S267 PolarHBondContact ND2-OG 2.6Å; N220-S267 PolarHBondContact OD1-N 2.73Å
221V97.9Very high97.2Very high9 Ų921.6 Ų21.66%0.05511%0.112CC..  trans-131.7161.3-175.3-61.10000110.7A180 A186 A218 A219 L228 H230 F243A180-V221 HydrophobicContact CB-CG2 4.28Å; A186-V221 HydrophobicContact CB-CG2 4.5Å; A218-V221 WeakPolarHBondContact O-CG1 3.36Å; A219-V221 PolarHBondContact O-N 3.42Å; V221-L228 HydrophobicContact CB-CD1 3.71Å; V221-L228 HydrophobicContact CG1-CD1 4.36Å; V221-L228 HydrophobicContact CG2-CD1 3.75Å; V221-H230 HydrophobicContact CG1-CB 3.77Å; V221-F243 HydrophobicContact CG1-CE1 4.29Å; V221-F243 HydrophobicContact CG1-CZ 3.85Å
222L97.8Very high97.3Very high18 Ų1821.5 Ų21.59%0.09411%0.112CC..EExtended strand (participates in β ladder)trans-120123.2173.1-66.7175.2000110.1F48 I224 L229 L266 F272F48-L222 HydrophobicContact CE2-CD1 3.75Å; F48-L222 HydrophobicContact CZ-CD1 3.98Å; L222-I224 HydrophobicContact CB-CD1 3.85Å; L222-I224 HydrophobicContact CB-CG1 4.08Å; L222-I224 HydrophobicContact CD1-CD1 4.24Å; L222-L229 HydrophobicContact CB-CB 4.27Å; L222-L229 HydrophobicContact CD1-CD2 4.29Å; L222-L229 PolarHBondContact N-O 3.16Å; L222-L229 PolarHBondContact O-N 2.73Å; L222-L266 HydrophobicContact CB-CD2 4.33Å; L222-L266 HydrophobicContact CD1-CD1 4.29Å; L222-L266 HydrophobicContact CD1-CD2 4.08Å; L222-L266 HydrophobicContact CD1-CG 3.7Å; L222-L266 HydrophobicContact CG-CD2 3.91Å; L222-L266 HydrophobicContact CG-CG 3.93Å; L222-F272 HydrophobicContact CD1-CE2 3.98Å; L222-F272 HydrophobicContact CD1-CZ 3.86Å; L222-F272 HydrophobicContact CD2-CE2 3.85Å; L222-F272 HydrophobicContact CD2-CZ 4.47Å
223Y97.5Very high97.2Very high18 Ų1820 Ų207%0.07110%0.104CC..EExtended strand (participates in β ladder)trans-101.9108.5171.2-175.3-113.7000109.6F3 V179 A180 I182 H226 H227 L228 Y249F3-Y223 HydrophobicContact CB-CD1 3.77Å; F3-Y223 HydrophobicContact CB-CE1 4.19Å; F3-Y223 HydrophobicContact CD2-CD1 4.02Å; F3-Y223 HydrophobicContact CD2-CE1 4.33Å; F3-Y223 AromaticContact CG-CD1 3.87Å; F3-Y223 HydrophobicContact CG-CD1 3.87Å; F3-Y223 HydrophobicContact CG-CE1 4.47Å; V179-Y223 WeakPolarHBondContact O-CB 3.27Å; A180-Y223 WeakPolarHBondContact O-CD2 3.36Å; I182-Y223 HydrophobicContact CD1-CE1 3.88Å; I182-Y223 HydrophobicContact CG1-CE1 4.04Å; Y223-H226 WeakPolarHBondContact OH-CA 3.47Å; Y223-H226 PolarHBondContact OH-ND1 3.17Å; Y223-H227 CarbonylContact C-O 3.57Å; Y223-H227 WeakPolarHBondContact CA-O 3.43Å; Y223-H227 WeakPolarHBondContact CD2-O 3.31Å; Y223-L228 HydrophobicContact CD2-CB 4.43Å; Y223-Y249 HydrophobicContact CD2-CE2 4.02Å; Y223-Y249 AromaticContact CE2-CD2 3.88Å; Y223-Y249 HydrophobicContact CE2-CD2 3.88Å; Y223-Y249 AromaticContact CE2-CE2 3.59Å; Y223-Y249 HydrophobicContact CE2-CE2 3.59Å
224I95.9Very high97.2Very high2 Ų226.2 Ų26.21%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-130.1123.1-168.8-58.9168.5000107.7Y5 L52 N55 V57 L222 H226 H227 F272Y5-I224 HydrophobicContact CD2-CB 4.32Å; Y5-I224 HydrophobicContact CD2-CG1 4.32Å; Y5-I224 HydrophobicContact CD2-CG2 4.03Å; L52-I224 HydrophobicContact CD2-CD1 3.54Å; N55-I224 HydrophobicContact CB-CG2 4.28Å; V57-I224 HydrophobicContact CG2-CG2 3.47Å; V57-I224 VanDerWaalsContact CG2-CG2 3.47Å; L222-I224 HydrophobicContact CB-CD1 3.85Å; L222-I224 HydrophobicContact CB-CG1 4.08Å; L222-I224 HydrophobicContact CD1-CD1 4.24Å; I224-H226 VanDerWaalsContact C-N 3.28Å; I224-H226 PolarHBondContact O-N 2.8Å; I224-H226 VanDerWaalsContact O-N 3.15Å; I224-H227 PolarHBondContact N-O 3.05Å; I224-H227 WeakPolarHBondContact O-CA 3.38Å; I224-H227 WeakPolarHBondContact O-CB 3.03Å; I224-H227 PolarHBondContact O-N 2.62Å; I224-F272 HydrophobicContact CD1-CE1 3.61Å; I224-F272 HydrophobicContact CD1-CZ 3.6Å; I224-F272 HydrophobicContact CG1-CE1 4.13Å; I224-F272 HydrophobicContact CG1-CZ 4.26Å
225N95.4Very high97.2Very high36 Ų3625.3 Ų25.319%0.19313%0.126CC..THydrogen-bonded Turntrans51.444.2171.2-63.2-18.7000113.8F3 Q4 Y5 N55 H227F3-N225 PolarHBondContact O-N 3.11Å; Q4-N225 WeakPolarHBondContact CA-OD1 3.44Å; Y5-N225 PolarHBondContact N-OD1 2.7Å; Y5-N225 PolarHBondContact O-ND2 2.92Å; Y5-N225 PolarHBondContact O-OD1 2.87Å; N55-N225 PolarHBondContact O-ND2 3.28Å; N225-H227 PolarHBondContact O-N 3.41Å
226H93.7Very high97.2Very high94 Ų9424 Ų2444%0.43512%0.12SC..THydrogen-bonded Turntrans6714.6-175.4-55.2-62000116.3Q4 Y223 I224Q4-H226 PolarHBondContact NE2-CD2 2.65Å; Q4-H226 PolarHBondContact NE2-NE2 2.64Å; Y223-H226 WeakPolarHBondContact OH-CA 3.47Å; Y223-H226 PolarHBondContact OH-ND1 3.17Å; I224-H226 VanDerWaalsContact C-N 3.28Å; I224-H226 PolarHBondContact O-N 2.8Å; I224-H226 VanDerWaalsContact O-N 3.15Å
227H96.2Very high97.2Very high29 Ų2926.3 Ų26.313%0.13414%0.137CC..EExtended strand (participates in β ladder)trans-118.7138.9-179.2-163.2-85.4000111N55 Y223 I224 N225 Y250 R251 S252N55-H227 WeakPolarHBondContact OD1-CB 3.45Å; N55-H227 PolarHBondContact OD1-CD2 3.24Å; N55-H227 PolarHBondContact OD1-CE1 3.21Å; N55-H227 PolarHBondContact OD1-ND1 2.98Å; Y223-H227 CarbonylContact C-O 3.57Å; Y223-H227 WeakPolarHBondContact CA-O 3.43Å; Y223-H227 WeakPolarHBondContact CD2-O 3.31Å; I224-H227 PolarHBondContact N-O 3.05Å; I224-H227 WeakPolarHBondContact O-CA 3.38Å; I224-H227 WeakPolarHBondContact O-CB 3.03Å; I224-H227 PolarHBondContact O-N 2.62Å; N225-H227 PolarHBondContact O-N 3.41Å; H227-Y250 WeakPolarHBondContact CA-O 3.42Å; H227-Y250 WeakPolarHBondContact CD2-CB 3.34Å; H227-R251 PolarHBondContact NE2-N 3.07Å; H227-S252 VanDerWaalsContact CE1-CB 3.49Å; H227-S252 WeakPolarHBondContact CE1-CB 3.22Å; H227-S252 PolarHBondContact CE1-N 3.13Å; H227-S252 PolarHBondContact CE1-OG 2.89Å; H227-S252 VanDerWaalsContact CE1-OG 3.24Å
228L97.8Very high97.3Very high0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-103.2114.2176.7177.170.7000110.7A180 V221 Y223 F243 I247 Y249 Y250 R251 S252A180-L228 HydrophobicContact CB-CD1 4.26Å; A180-L228 HydrophobicContact CB-CD2 4.49Å; V221-L228 HydrophobicContact CB-CD1 3.71Å; V221-L228 HydrophobicContact CG1-CD1 4.36Å; V221-L228 HydrophobicContact CG2-CD1 3.75Å; Y223-L228 HydrophobicContact CD2-CB 4.43Å; L228-F243 HydrophobicContact CD2-CD1 3.88Å; L228-F243 HydrophobicContact CD2-CE1 4.08Å; L228-I247 HydrophobicContact CD2-CD1 3.93Å; L228-I247 HydrophobicContact CD2-CG1 3.92Å; L228-I247 HydrophobicContact CD2-CG2 4.34Å; L228-Y249 HydrophobicContact CB-CD2 4.37Å; L228-Y249 HydrophobicContact CB-CE2 3.93Å; L228-Y250 PolarHBondContact N-O 3.22Å; L228-R251 HydrophobicContact CB-CG 4.16Å; L228-R251 HydrophobicContact CD2-CG 4.43Å; L228-R251 WeakPolarHBondContact O-CA 3.37Å; L228-S252 PolarHBondContact O-N 3.4Å
229L98Very high97.3Very high1 Ų130.9 Ų30.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-92.2120.6169.2-178.168.3000108.7F48 A51 L52 L222 S252 I254 L266F48-L229 HydrophobicContact CD2-CD2 4.15Å; F48-L229 HydrophobicContact CE2-CD2 3.96Å; A51-L229 HydrophobicContact CB-CD1 4.12Å; A51-L229 HydrophobicContact CB-CD2 4.44Å; L52-L229 HydrophobicContact CD2-CD2 4.38Å; L222-L229 HydrophobicContact CB-CB 4.27Å; L222-L229 HydrophobicContact CD1-CD2 4.29Å; L222-L229 PolarHBondContact N-O 3.16Å; L222-L229 PolarHBondContact O-N 2.73Å; L229-S252 WeakPolarHBondContact CD1-OG 3.3Å; L229-I254 HydrophobicContact CD1-CB 4.01Å; L229-I254 HydrophobicContact CD1-CG2 4.11Å; L229-I254 HydrophobicContact CG-CG2 4.23Å; L229-L266 HydrophobicContact CD2-CD1 4.09Å; L229-L266 HydrophobicContact CD2-CD2 4.3Å; L229-L266 HydrophobicContact CG-CD2 4.08Å
230H97.8Very high97.2Very high2 Ų231.8 Ų31.81%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-135.9164.6-179.663.678.7000111.4V221 I240 F243 S252 Q253 I254V221-H230 HydrophobicContact CG1-CB 3.77Å; H230-I240 VanDerWaalsContact CE1-CD1 3.45Å; H230-I240 WeakPolarHBondContact CE1-CD1 3.34Å; H230-F243 HydrophobicContact CB-CE2 4.26Å; H230-F243 HydrophobicContact CB-CZ 4.41Å; H230-S252 PolarHBondContact N-O 3.38Å; H230-S252 VanDerWaalsContact N-O 3.08Å; H230-Q253 VanDerWaalsContact CE1-CG 3.4Å; H230-Q253 WeakPolarHBondContact CE1-CG 3.09Å; H230-Q253 CarbonylContact O-C 3.52Å; H230-Q253 WeakPolarHBondContact O-CA 3.45Å; H230-I254 PolarHBondContact O-N 3.46Å
231L97.9Very high97.2Very high1 Ų132.9 Ų32.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-59.6152177.8-62177000111.8M235 I236 I254 I256L231-M235 HydrophobicContact CB-CB 4.17Å; L231-M235 HydrophobicContact CD1-CE 4.33Å; L231-M235 HydrophobicContact CD2-CE 4.04Å; L231-M235 HydrophobicContact CD2-SD 4.03Å; L231-I236 HydrophobicContact CB-CD1 4.26Å; L231-I236 HydrophobicContact CB-CG1 4.09Å; L231-I236 HydrophobicContact CB-CG2 3.98Å; L231-I236 HydrophobicContact CD1-CG2 4.02Å; L231-I236 VanDerWaalsContact O-CD1 3.3Å; L231-I236 WeakPolarHBondContact O-CD1 3.13Å; L231-I236 WeakPolarHBondContact O-CG1 3.42Å; L231-I254 CarbonylContact C-O 3.53Å; L231-I254 WeakPolarHBondContact CA-O 3.4Å; L231-I256 HydrophobicContact CD2-CD1 4.27Å; L231-I256 HydrophobicContact CD2-CG1 3.93Å
232S97.7Very high97.2Very high4 Ų434 Ų343%0.02818%0.179CC..  trans-70.9159.6-176.882.50000113.2Q234 M235 I236 I254 H255S232-Q234 VanDerWaalsContact CB-OE1 3.25Å; S232-Q234 PolarHBondContact O-N 3.21Å; S232-Q234 VanDerWaalsContact O-N 3.09Å; S232-Q234 PolarHBondContact OG-N 2.83Å; S232-Q234 PolarHBondContact OG-OE1 3.37Å; S232-M235 PolarHBondContact O-N 3.21Å; S232-I236 WeakPolarHBondContact O-CG1 3.41Å; S232-I236 PolarHBondContact O-N 2.77Å; S232-I254 PolarHBondContact N-O 3.11Å; S232-H255 PolarHBondContact OG-ND1 3.11Å
233S97.7Very high97.1Very high41 Ų4133.1 Ų33.129%0.28717%0.174SC..THydrogen-bonded Turntrans-56-26.6176.963.20000113.9P237S233-P237 WeakPolarHBondContact O-CA 3.42Å; S233-P237 WeakPolarHBondContact O-CB 3.49Å; S233-P237 WeakPolarHBondContact O-CD 3.49Å; S233-P237 VanDerWaalsContact O-N 3.15Å
234Q97.5Very high97Very high132 Ų13237 Ų3762%0.61719%0.193SC*.THydrogen-bonded Turntrans-72.5-30174.3-59.979.913.300112.8S232S232-Q234 VanDerWaalsContact CB-OE1 3.25Å; S232-Q234 PolarHBondContact O-N 3.21Å; S232-Q234 VanDerWaalsContact O-N 3.09Å; S232-Q234 PolarHBondContact OG-N 2.83Å; S232-Q234 PolarHBondContact OG-OE1 3.37Å
235M97.2Very high97Very high24 Ų2443.4 Ų43.412%0.11823%0.227CC..THydrogen-bonded Turntrans-88.7-27.8179.3-65.2-174.871.400113.1H217 L231 S232 P237 I256 P257 F260H217-M235 PolarHBondContact NE2-O 2.83Å; L231-M235 HydrophobicContact CB-CB 4.17Å; L231-M235 HydrophobicContact CD1-CE 4.33Å; L231-M235 HydrophobicContact CD2-CE 4.04Å; L231-M235 HydrophobicContact CD2-SD 4.03Å; S232-M235 PolarHBondContact O-N 3.21Å; M235-P237 VanDerWaalsContact C-CD 3.44Å; M235-I256 HydrophobicContact SD-CG1 4.48Å; M235-I256 PolarHBondContact SD-N 3Å; M235-I256 VanDerWaalsContact SD-N 3.35Å; M235-P257 HydrophobicContact CE-CB 4.36Å; M235-F260 HydrophobicContact CE-CB 3.76Å; M235-F260 HydrophobicContact CE-CD1 4.22Å; M235-F260 HydrophobicContact CE-CG 3.93Å
236I97.7Very high96.9Very high0 Ų047.6 Ų47.60%024%0.244CC..  trans-132.454.6-177.756.5157.4000112.4E215 H217 A218 L231 S232 K238 S239 I240 F243E215-I236 VanDerWaalsContact OE2-CA 3.23Å; E215-I236 WeakPolarHBondContact OE2-CA 3.46Å; H217-I236 WeakPolarHBondContact NE2-CG2 3.29Å; A218-I236 HydrophobicContact CB-CB 3.98Å; A218-I236 HydrophobicContact CB-CD1 4.08Å; A218-I236 HydrophobicContact CB-CG2 3.49Å; A218-I236 VanDerWaalsContact CB-CG2 3.49Å; L231-I236 HydrophobicContact CB-CD1 4.26Å; L231-I236 HydrophobicContact CB-CG1 4.09Å; L231-I236 HydrophobicContact CB-CG2 3.98Å; L231-I236 HydrophobicContact CD1-CG2 4.02Å; L231-I236 VanDerWaalsContact O-CD1 3.3Å; L231-I236 WeakPolarHBondContact O-CD1 3.13Å; L231-I236 WeakPolarHBondContact O-CG1 3.42Å; S232-I236 WeakPolarHBondContact O-CG1 3.41Å; S232-I236 PolarHBondContact O-N 2.77Å; I236-K238 PolarHBondContact O-N 3.06Å; I236-K238 VanDerWaalsContact O-N 3.11Å; I236-S239 PolarHBondContact O-N 3.08Å; I236-I240 PolarHBondContact O-N 2.91Å; I236-F243 HydrophobicContact CD1-CD2 3.95Å; I236-F243 HydrophobicContact CD1-CE2 3.66Å
237P97.9Very high96.9Very high81 Ų8143.6 Ų43.653%0.52623%0.226SC..THydrogen-bonded Turntrans-61.3-23.8-171.624.7-36.1000114.1E215 S233 M235E215-P237 WeakPolarHBondContact OE1-CD 3.45Å; S233-P237 WeakPolarHBondContact O-CA 3.42Å; S233-P237 WeakPolarHBondContact O-CB 3.49Å; S233-P237 WeakPolarHBondContact O-CD 3.49Å; S233-P237 VanDerWaalsContact O-N 3.15Å; M235-P237 VanDerWaalsContact C-CD 3.44Å
238K98Very high96.8Very high153 Ų15349.7 Ų49.767%0.66526%0.259SS*.THydrogen-bonded Turntrans-88.4-24178.9-57.3178.2-178.6176.20112.1P214 E215 I236P214-K238 HydrophobicContact CB-CB 3.89Å; P214-K238 HydrophobicContact CG-CB 4.44Å; E215-K238 HydrophobicContact CG-CB 4.1Å; E215-K238 HydrophobicContact CG-CD 4.38Å; E215-K238 WeakPolarHBondContact OE2-CA 3.45Å; E215-K238 WeakPolarHBondContact OE2-CB 3.4Å; E215-K238 PolarHBondContact OE2-N 2.55Å; I236-K238 PolarHBondContact O-N 3.06Å; I236-K238 VanDerWaalsContact O-N 3.11Å
239S98Very high96.6Very high0 Ų052.1 Ų52.10%027%0.269CS..THydrogen-bonded Turntrans-99.3-20.5-174.1-50.20000113.8E215 I236 G241 V242 F243E215-S239 WeakPolarHBondContact CB-OG 3.26Å; E215-S239 PolarHBondContact N-OG 3.18Å; E215-S239 VanDerWaalsContact N-OG 3.13Å; E215-S239 WeakPolarHBondContact OE2-CB 3.11Å; E215-S239 PolarHBondContact OE2-N 3.08Å; E215-S239 PolarHBondContact OE2-OG 3.47Å; I236-S239 PolarHBondContact O-N 3.08Å; S239-G241 VanDerWaalsContact C-N 3.3Å; S239-G241 PolarHBondContact O-N 3.25Å; S239-V242 WeakPolarHBondContact O-CB 3.27Å; S239-V242 PolarHBondContact O-N 3.37Å; S239-F243 PolarHBondContact O-N 2.98Å
240I97.2Very high96.5Very high19 Ų1961.1 Ų61.110%0.09730%0.304CS..Hα-helixtrans-54.5-44-178.2-172.863.8000113H230 I236 V242 F243 E244 Q253H230-I240 VanDerWaalsContact CE1-CD1 3.45Å; H230-I240 WeakPolarHBondContact CE1-CD1 3.34Å; I236-I240 PolarHBondContact O-N 2.91Å; I240-V242 PolarHBondContact O-N 3.04Å; I240-F243 PolarHBondContact O-N 3.34Å; I240-F243 VanDerWaalsContact O-N 3.14Å; I240-E244 WeakPolarHBondContact O-CG 3.36Å; I240-E244 PolarHBondContact O-N 3.13Å; I240-Q253 HydrophobicContact CD1-CG 4.34Å
241G96.8Very high96.5Very high26 Ų2664.7 Ų64.727%0.26832%0.318SS..Hα-helixtrans-64.2-24.5178.600000113.1S239 N245S239-G241 VanDerWaalsContact C-N 3.3Å; S239-G241 PolarHBondContact O-N 3.25Å; G241-N245 WeakPolarHBondContact O-CB 3.44Å; G241-N245 VanDerWaalsContact O-CG 3.23Å; G241-N245 PolarHBondContact O-N 2.74Å; G241-N245 VanDerWaalsContact O-N 3.11Å; G241-N245 PolarHBondContact O-ND2 2.94Å
242V97.5Very high96.4Very high32 Ų3266 Ų6619%0.19433%0.327CS..Hα-helixtrans-70.4-45.8174.5-176.30000110.2I211 L213 S239 I240 E244 N245 K246I211-V242 HydrophobicContact CG2-CG1 3.5Å; L213-V242 HydrophobicContact CD2-CB 3.89Å; L213-V242 HydrophobicContact CD2-CG1 3.87Å; S239-V242 WeakPolarHBondContact O-CB 3.27Å; S239-V242 PolarHBondContact O-N 3.37Å; I240-V242 PolarHBondContact O-N 3.04Å; V242-E244 VanDerWaalsContact C-N 3.32Å; V242-E244 PolarHBondContact O-N 3.33Å; V242-N245 PolarHBondContact O-N 2.94Å; V242-K246 HydrophobicContact CG1-CG 3.93Å; V242-K246 VanDerWaalsContact O-CB 3.23Å; V242-K246 WeakPolarHBondContact O-CB 3.25Å; V242-K246 VanDerWaalsContact O-CG 3.32Å; V242-K246 WeakPolarHBondContact O-CG 3.1Å; V242-K246 PolarHBondContact O-N 2.8Å
243F96.2Very high96.3Very high0 Ų070.1 Ų70.10%035%0.345CS..Hα-helixtrans-60.8-43.2175.1-69.2-59.9000111.4L213 A218 V221 L228 H230 I236 S239 I240 N245 I247L213-F243 HydrophobicContact CD1-CE1 4.25Å; L213-F243 HydrophobicContact CD1-CE2 4.18Å; L213-F243 HydrophobicContact CD1-CZ 3.57Å; L213-F243 HydrophobicContact CD2-CD2 4.48Å; L213-F243 HydrophobicContact CD2-CE1 4.15Å; L213-F243 HydrophobicContact CD2-CE2 4.01Å; L213-F243 HydrophobicContact CD2-CZ 3.84Å; L213-F243 HydrophobicContact CG-CZ 4.38Å; A218-F243 HydrophobicContact CB-CE2 4.42Å; A218-F243 WeakPolarHBondContact O-CZ 3.4Å; V221-F243 HydrophobicContact CG1-CE1 4.29Å; V221-F243 HydrophobicContact CG1-CZ 3.85Å; L228-F243 HydrophobicContact CD2-CD1 3.88Å; L228-F243 HydrophobicContact CD2-CE1 4.08Å; H230-F243 HydrophobicContact CB-CE2 4.26Å; H230-F243 HydrophobicContact CB-CZ 4.41Å; I236-F243 HydrophobicContact CD1-CD2 3.95Å; I236-F243 HydrophobicContact CD1-CE2 3.66Å; S239-F243 PolarHBondContact O-N 2.98Å; I240-F243 PolarHBondContact O-N 3.34Å; I240-F243 VanDerWaalsContact O-N 3.14Å; F243-N245 VanDerWaalsContact C-N 3.29Å; F243-N245 PolarHBondContact O-N 3.12Å; F243-I247 HydrophobicContact CB-CG1 4.48Å; F243-I247 HydrophobicContact CD1-CG1 4.03Å; F243-I247 VanDerWaalsContact O-CB 3.26Å; F243-I247 WeakPolarHBondContact O-CB 3.38Å; F243-I247 WeakPolarHBondContact O-CG1 3.25Å; F243-I247 PolarHBondContact O-N 2.98Å; F243-I247 VanDerWaalsContact O-N 3.1Å
244E94.7Very high96.3Very high100 Ų10068.5 Ų68.547%0.46733%0.334SS..Hα-helixtrans-60.9-36.2178.5-69.4172.6167.200113.8I240 V242 R251I240-E244 WeakPolarHBondContact O-CG 3.36Å; I240-E244 PolarHBondContact O-N 3.13Å; V242-E244 VanDerWaalsContact C-N 3.32Å; V242-E244 PolarHBondContact O-N 3.33Å; E244-R251 VanDerWaalsContact CG-NH1 3.35Å
245N95.5Very high96.3Very high136 Ų13665.8 Ų65.873%0.72732%0.321SS*.Hα-helixtrans-90.6-27-177.2-70.5-44.5000114.1G241 V242 F243G241-N245 WeakPolarHBondContact O-CB 3.44Å; G241-N245 VanDerWaalsContact O-CG 3.23Å; G241-N245 PolarHBondContact O-N 2.74Å; G241-N245 VanDerWaalsContact O-N 3.11Å; G241-N245 PolarHBondContact O-ND2 2.94Å; V242-N245 PolarHBondContact O-N 2.94Å; F243-N245 VanDerWaalsContact C-N 3.29Å; F243-N245 PolarHBondContact O-N 3.12Å
246K94.7Very high96.3Very high124 Ų12464.7 Ų64.754%0.53932%0.315SS..Hα-helixtrans-105.9-17.4-170.3-61.2-64-174.2-178.60114.4I211 V242I211-K246 HydrophobicContact CD1-CB 4.09Å; I211-K246 HydrophobicContact CG1-CB 4.36Å; V242-K246 HydrophobicContact CG1-CG 3.93Å; V242-K246 VanDerWaalsContact O-CB 3.23Å; V242-K246 WeakPolarHBondContact O-CB 3.25Å; V242-K246 VanDerWaalsContact O-CG 3.32Å; V242-K246 WeakPolarHBondContact O-CG 3.1Å; V242-K246 PolarHBondContact O-N 2.8Å
247I94.1Very high96.2Very high11 Ų1166.4 Ų66.46%0.05633%0.327CS..  trans-106.6123.1-179-55.9-70.6000109.7A180 I211 L228 F243 Y249 R251A180-I247 HydrophobicContact CB-CD1 4.45Å; I211-I247 HydrophobicContact CD1-CD1 3.37Å; I211-I247 HydrophobicContact CD1-CG1 4.18Å; L228-I247 HydrophobicContact CD2-CD1 3.93Å; L228-I247 HydrophobicContact CD2-CG1 3.92Å; L228-I247 HydrophobicContact CD2-CG2 4.34Å; F243-I247 HydrophobicContact CB-CG1 4.48Å; F243-I247 HydrophobicContact CD1-CG1 4.03Å; F243-I247 VanDerWaalsContact O-CB 3.26Å; F243-I247 WeakPolarHBondContact O-CB 3.38Å; F243-I247 WeakPolarHBondContact O-CG1 3.25Å; F243-I247 PolarHBondContact O-N 2.98Å; F243-I247 VanDerWaalsContact O-N 3.1Å; I247-Y249 HydrophobicContact CD1-CE2 4.24Å; I247-Y249 VanDerWaalsContact CD1-OH 3.24Å; I247-Y249 WeakPolarHBondContact CD1-OH 3.34Å; I247-Y249 HydrophobicContact CG2-CD1 4.14Å; I247-Y249 HydrophobicContact CG2-CD2 3.48Å; I247-Y249 VanDerWaalsContact CG2-CD2 3.48Å; I247-Y249 HydrophobicContact CG2-CE1 3.99Å; I247-Y249 HydrophobicContact CG2-CE2 3.3Å; I247-Y249 HydrophobicContact CG2-CG 3.91Å; I247-R251 HydrophobicContact CB-CG 4.43Å; I247-R251 HydrophobicContact CG2-CG 3.73Å
248N93.1Very high96.1Very high156 Ų15664.4 Ų64.483%0.83431%0.31SS*.  trans-109.312.3-176.267.5-24.9000114
249Y94Very high96Very high52 Ų5257.1 Ų57.120%0.20428%0.279CS..SBendtrans-114.4175.4172.539.1-92.3000110.3A180 Y223 L228 I247A180-Y249 WeakPolarHBondContact O-CE2 3.43Å; A180-Y249 PolarHBondContact O-OH 2.82Å; Y223-Y249 HydrophobicContact CD2-CE2 4.02Å; Y223-Y249 AromaticContact CE2-CD2 3.88Å; Y223-Y249 HydrophobicContact CE2-CD2 3.88Å; Y223-Y249 AromaticContact CE2-CE2 3.59Å; Y223-Y249 HydrophobicContact CE2-CE2 3.59Å; L228-Y249 HydrophobicContact CB-CD2 4.37Å; L228-Y249 HydrophobicContact CB-CE2 3.93Å; I247-Y249 HydrophobicContact CD1-CE2 4.24Å; I247-Y249 VanDerWaalsContact CD1-OH 3.24Å; I247-Y249 WeakPolarHBondContact CD1-OH 3.34Å; I247-Y249 HydrophobicContact CG2-CD1 4.14Å; I247-Y249 HydrophobicContact CG2-CD2 3.48Å; I247-Y249 VanDerWaalsContact CG2-CD2 3.48Å; I247-Y249 HydrophobicContact CG2-CE1 3.99Å; I247-Y249 HydrophobicContact CG2-CE2 3.3Å; I247-Y249 HydrophobicContact CG2-CG 3.91Å
250Y96Very high95.8Very high189 Ų18959.9 Ų59.974%0.74129%0.291SS*.  trans-61.3143.6-177.3-63.9-75000112.1H227 L228H227-Y250 WeakPolarHBondContact CA-O 3.42Å; H227-Y250 WeakPolarHBondContact CD2-CB 3.34Å; L228-Y250 PolarHBondContact N-O 3.22Å
251R96.4Very high95.5Very high78 Ų7863.8 Ų63.829%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-141.2145.2-177.2-62.1-177.1-78.7125.48.9110.3H227 L228 E244 I247H227-R251 PolarHBondContact NE2-N 3.07Å; L228-R251 HydrophobicContact CB-CG 4.16Å; L228-R251 HydrophobicContact CD2-CG 4.43Å; L228-R251 WeakPolarHBondContact O-CA 3.37Å; E244-R251 VanDerWaalsContact CG-NH1 3.35Å; I247-R251 HydrophobicContact CB-CG 4.43Å; I247-R251 HydrophobicContact CG2-CG 3.73Å
252S95.7Very high95.3Very high28 Ų2862.9 Ų62.920%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-130.8151.9167.158.60000109.6H227 L228 L229 H230H227-S252 VanDerWaalsContact CE1-CB 3.49Å; H227-S252 WeakPolarHBondContact CE1-CB 3.22Å; H227-S252 PolarHBondContact CE1-N 3.13Å; H227-S252 PolarHBondContact CE1-OG 2.89Å; H227-S252 VanDerWaalsContact CE1-OG 3.24Å; L228-S252 PolarHBondContact O-N 3.4Å; L229-S252 WeakPolarHBondContact CD1-OG 3.3Å; H230-S252 PolarHBondContact N-O 3.38Å; H230-S252 VanDerWaalsContact N-O 3.08Å
253Q97Very high94.9Very high90 Ų9061.7 Ų61.742%0.42130%0.296SS..EExtended strand (participates in β ladder)trans-100143.1176.7-73.817863.600109H230 I240H230-Q253 VanDerWaalsContact CE1-CG 3.4Å; H230-Q253 WeakPolarHBondContact CE1-CG 3.09Å; H230-Q253 CarbonylContact O-C 3.52Å; H230-Q253 WeakPolarHBondContact O-CA 3.45Å; I240-Q253 HydrophobicContact CD1-CG 4.34Å
254I97.8Very high94.8Very high8 Ų861.7 Ų61.74%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-129.3135169.7-166.1176.5000111.3F48 L229 H230 L231 S232 I256 L266F48-I254 HydrophobicContact CB-CD1 3.52Å; F48-I254 HydrophobicContact CD2-CD1 3.67Å; F48-I254 HydrophobicContact CG-CD1 4.09Å; L229-I254 HydrophobicContact CD1-CB 4.01Å; L229-I254 HydrophobicContact CD1-CG2 4.11Å; L229-I254 HydrophobicContact CG-CG2 4.23Å; H230-I254 PolarHBondContact O-N 3.46Å; L231-I254 CarbonylContact C-O 3.53Å; L231-I254 WeakPolarHBondContact CA-O 3.4Å; S232-I254 PolarHBondContact N-O 3.11Å; I254-I256 HydrophobicContact CD1-CG2 3.79Å; I254-I256 HydrophobicContact CG1-CG2 3.88Å; I254-L266 HydrophobicContact CD1-CD1 4.31Å; I254-L266 HydrophobicContact CG2-CD1 3.72Å; I254-L266 HydrophobicContact CG2-CD2 4.38Å
255H97.7Very high94.8Very high75 Ų7557.1 Ų57.135%0.34728%0.275SS..  trans-106.6104.9178.4-166.665.6000109S232 P257S232-H255 PolarHBondContact OG-ND1 3.11Å; H255-P257 VanDerWaalsContact C-CD 3.47Å
256I97Very high94.7Very high0 Ų050.7 Ų50.70%024%0.241CC..  trans-131.949.5-179.354.9166.6000113.2E44 L231 M235 I254 E258 L259 F260 L266 L269E44-I256 HydrophobicContact CB-CB 4.3Å; E44-I256 HydrophobicContact CB-CG2 3.82Å; E44-I256 VanDerWaalsContact CD-C 3.45Å; E44-I256 HydrophobicContact CG-CB 4.46Å; E44-I256 HydrophobicContact CG-CG2 4.31Å; E44-I256 VanDerWaalsContact OE2-CA 3.28Å; E44-I256 WeakPolarHBondContact OE2-CA 3.29Å; L231-I256 HydrophobicContact CD2-CD1 4.27Å; L231-I256 HydrophobicContact CD2-CG1 3.93Å; M235-I256 HydrophobicContact SD-CG1 4.48Å; M235-I256 PolarHBondContact SD-N 3Å; M235-I256 VanDerWaalsContact SD-N 3.35Å; I254-I256 HydrophobicContact CD1-CG2 3.79Å; I254-I256 HydrophobicContact CG1-CG2 3.88Å; I256-E258 VanDerWaalsContact C-N 3.32Å; I256-E258 PolarHBondContact O-N 2.8Å; I256-L259 HydrophobicContact CB-CB 4.42Å; I256-L259 HydrophobicContact CG2-CD1 4.43Å; I256-F260 WeakPolarHBondContact O-CB 3.41Å; I256-F260 PolarHBondContact O-N 2.98Å; I256-L266 HydrophobicContact CD1-CB 4.3Å; I256-L266 HydrophobicContact CD1-CD1 4.05Å; I256-L269 HydrophobicContact CD1-CD1 4.1Å
257P95.6Very high94.8Very high37 Ų3745.1 Ų45.124%0.2422%0.217CC..Hα-helixtrans-59-37.4-177.126.6-37.4000114.3E44 M235 H255 N261E44-P257 WeakPolarHBondContact OE1-CD 3.44Å; E44-P257 VanDerWaalsContact OE1-CG 3.27Å; E44-P257 WeakPolarHBondContact OE1-CG 3.42Å; E44-P257 VanDerWaalsContact OE1-N 3.12Å; M235-P257 HydrophobicContact CE-CB 4.36Å; H255-P257 VanDerWaalsContact C-CD 3.47Å; P257-N261 VanDerWaalsContact O-CB 3.24Å; P257-N261 WeakPolarHBondContact O-CB 3.26Å; P257-N261 PolarHBondContact O-N 3.28Å; P257-N261 PolarHBondContact O-ND2 3.3Å
258E95.3Very high94.9Very high39 Ų3945.3 Ų45.318%0.18222%0.218CC..Hα-helixtrans-67-51-176.2-165.958.1-146.200111F36 D37 E40 A41 E44 I256 F260 N261 A262F36-E258 WeakPolarHBondContact CA-OE1 3.34Å; F36-E258 HydrophobicContact CD2-CG 4.12Å; F36-E258 WeakPolarHBondContact CD2-OE1 3.25Å; F36-E258 HydrophobicContact CE2-CG 4.03Å; D37-E258 HydrophobicContact CB-CG 4.35Å; D37-E258 PolarHBondContact N-OE1 3.36Å; D37-E258 WeakPolarHBondContact O-CG 3.46Å; E40-E258 HydrophobicContact CG-CB 4.47Å; A41-E258 HydrophobicContact CB-CG 3.99Å; E44-E258 VanDerWaalsContact CD-CB 3.47Å; E44-E258 VanDerWaalsContact OE1-CB 3.25Å; E44-E258 WeakPolarHBondContact OE1-CB 3.49Å; E44-E258 PolarHBondContact OE1-N 3.24Å; E44-E258 WeakPolarHBondContact OE2-CB 3.45Å; E44-E258 PolarHBondContact OE2-N 3.33Å; E44-E258 VanDerWaalsContact OE2-N 3.11Å; I256-E258 VanDerWaalsContact C-N 3.32Å; I256-E258 PolarHBondContact O-N 2.8Å; E258-F260 PolarHBondContact O-N 2.92Å; E258-N261 PolarHBondContact O-N 3.12Å; E258-A262 WeakPolarHBondContact O-CB 3.33Å; E258-A262 PolarHBondContact O-N 2.89Å
259L95.3Very high95.1Very high0 Ų038.1 Ų38.10%018%0.179CC..Hα-helixtrans-61.4-44.3174.5-74.9171.1000112.1I13 A41 E44 R45 I256 N261 A262 G263 V264 L269I13-L259 HydrophobicContact CD1-CD2 3.77Å; A41-L259 HydrophobicContact CB-CD2 4.21Å; A41-L259 HydrophobicContact CB-CG 4.38Å; E44-L259 HydrophobicContact CB-CD1 3.8Å; E44-L259 HydrophobicContact CB-CG 4.29Å; E44-L259 PolarHBondContact OE2-N 2.93Å; R45-L259 HydrophobicContact CB-CD1 4.32Å; I256-L259 HydrophobicContact CB-CB 4.42Å; I256-L259 HydrophobicContact CG2-CD1 4.43Å; L259-N261 PolarHBondContact O-N 3.04Å; L259-A262 CarbonylContact O-C 3.57Å; L259-A262 WeakPolarHBondContact O-CA 3.48Å; L259-A262 WeakPolarHBondContact O-CB 3.35Å; L259-A262 PolarHBondContact O-N 3.25Å; L259-A262 VanDerWaalsContact O-N 3.16Å; L259-G263 PolarHBondContact O-N 3.3Å; L259-V264 CarbonylContact C-O 3.56Å; L259-V264 HydrophobicContact CB-CB 4.36Å; L259-V264 HydrophobicContact CD2-CB 4.4Å; L259-V264 WeakPolarHBondContact O-CA 3.27Å; L259-V264 WeakPolarHBondContact O-CB 3.4Å; L259-V264 PolarHBondContact O-N 2.91Å; L259-L269 HydrophobicContact CD1-CD1 4.22Å; L259-L269 HydrophobicContact CD1-CD2 4.11Å
260F94Very high95.3Very high58 Ų5835.6 Ų35.625%0.25417%0.169SC..Hα-helixtrans-61.3-46.1179.1178.7-93.1000111.5H217 M235 I256 E258 A262 G263H217-F260 HydrophobicContact CB-CE2 3.89Å; H217-F260 HydrophobicContact CB-CZ 3.52Å; H217-F260 AromaticContact CD2-CZ 3.91Å; H217-F260 AromaticContact CG-CZ 3.88Å; M235-F260 HydrophobicContact CE-CB 3.76Å; M235-F260 HydrophobicContact CE-CD1 4.22Å; M235-F260 HydrophobicContact CE-CG 3.93Å; I256-F260 WeakPolarHBondContact O-CB 3.41Å; I256-F260 PolarHBondContact O-N 2.98Å; E258-F260 PolarHBondContact O-N 2.92Å; F260-A262 VanDerWaalsContact C-N 3.25Å; F260-A262 PolarHBondContact O-N 2.98Å; F260-G263 PolarHBondContact O-N 3.19Å
261N91.6Very high95.3Very high101 Ų10126.8 Ų26.854%0.5414%0.135SC..Hα-helixtrans-65.6-29.4177.1-70.2-30.4000112.1I28 P257 E258 L259 G263I28-N261 VanDerWaalsContact CG2-O 3.32Å; I28-N261 WeakPolarHBondContact CG2-O 3.24Å; P257-N261 VanDerWaalsContact O-CB 3.24Å; P257-N261 WeakPolarHBondContact O-CB 3.26Å; P257-N261 PolarHBondContact O-N 3.28Å; P257-N261 PolarHBondContact O-ND2 3.3Å; E258-N261 PolarHBondContact O-N 3.12Å; L259-N261 PolarHBondContact O-N 3.04Å; N261-G263 PolarHBondContact O-N 3.33Å
262A91.5Very high95.3Very high6 Ų624.2 Ų24.25%0.0513%0.126CC..THydrogen-bonded Turntrans-74.93.317100000114F17 L21 I28 F36 E258 L259 F260F17-A262 HydrophobicContact CE1-CB 3.92Å; F17-A262 HydrophobicContact CZ-CB 4.14Å; L21-A262 HydrophobicContact CD1-CB 3.92Å; L21-A262 HydrophobicContact CD2-CB 4Å; I28-A262 WeakPolarHBondContact CD1-O 3.39Å; F36-A262 HydrophobicContact CD2-CB 4.08Å; F36-A262 HydrophobicContact CE2-CB 3.85Å; E258-A262 WeakPolarHBondContact O-CB 3.33Å; E258-A262 PolarHBondContact O-N 2.89Å; L259-A262 CarbonylContact O-C 3.57Å; L259-A262 WeakPolarHBondContact O-CA 3.48Å; L259-A262 WeakPolarHBondContact O-CB 3.35Å; L259-A262 PolarHBondContact O-N 3.25Å; L259-A262 VanDerWaalsContact O-N 3.16Å; F260-A262 VanDerWaalsContact C-N 3.25Å; F260-A262 PolarHBondContact O-N 2.98Å
263G90.5Very high95.2Very high8 Ų823 Ų238%0.08212%0.117CC..THydrogen-bonded Turntrans81.915178.200000114.6L259 F260 N261 K268L259-G263 PolarHBondContact O-N 3.3Å; F260-G263 PolarHBondContact O-N 3.19Å; N261-G263 PolarHBondContact O-N 3.33Å; G263-K268 PolarHBondContact O-NZ 2.91Å
264V94Very high94.7Very high0 Ų019.7 Ų19.70%011%0.107CC..  trans-103.489.4175.8-168.80000108.3F17 V72 K73 L259 K268 L269F17-V264 HydrophobicContact CE1-CG2 4.27Å; F17-V264 HydrophobicContact CZ-CG2 3.7Å; V72-V264 HydrophobicContact CG1-CG2 4.14Å; K73-V264 HydrophobicContact CG-CG1 4.33Å; K73-V264 HydrophobicContact CG-CG2 4.08Å; L259-V264 CarbonylContact C-O 3.56Å; L259-V264 HydrophobicContact CB-CB 4.36Å; L259-V264 HydrophobicContact CD2-CB 4.4Å; L259-V264 WeakPolarHBondContact O-CA 3.27Å; L259-V264 WeakPolarHBondContact O-CB 3.4Å; L259-V264 PolarHBondContact O-N 2.91Å; V264-K268 HydrophobicContact CG1-CB 4.2Å; V264-L269 HydrophobicContact CG1-CD2 3.4Å; V264-L269 VanDerWaalsContact CG1-CD2 3.4Å; V264-L269 HydrophobicContact CG1-CG 3.9Å
265S93.6Very high93.6Very high4 Ų423.1 Ų23.13%0.02813%0.13CC..  trans-71163.1175.148.60000111.3D175 S267 K268D175-S265 PolarHBondContact OD1-OG 3.35Å; S265-S267 PolarHBondContact O-N 3.44Å; S265-K268 WeakPolarHBondContact O-CB 3.41Å; S265-K268 PolarHBondContact O-N 2.89Å; S265-K268 WeakPolarHBondContact OG-CE 3.33Å
266L94.8Very high92.1Very high1 Ų122.2 Ų22.21%0.00513%0.125CC..G310 helixtrans-52.5-43.5-174.9-176.769.2000112F48 N220 L222 L229 I254 I256 K268 L269F48-L266 HydrophobicContact CD2-CD1 3.47Å; F48-L266 VanDerWaalsContact CD2-CD1 3.47Å; F48-L266 HydrophobicContact CE2-CD1 3.36Å; F48-L266 HydrophobicContact CE2-CG 4.17Å; N220-L266 VanDerWaalsContact OD1-CB 3.3Å; N220-L266 WeakPolarHBondContact OD1-CB 3.44Å; N220-L266 PolarHBondContact OD1-N 3.24Å; L222-L266 HydrophobicContact CB-CD2 4.33Å; L222-L266 HydrophobicContact CD1-CD1 4.29Å; L222-L266 HydrophobicContact CD1-CD2 4.08Å; L222-L266 HydrophobicContact CD1-CG 3.7Å; L222-L266 HydrophobicContact CG-CD2 3.91Å; L222-L266 HydrophobicContact CG-CG 3.93Å; L229-L266 HydrophobicContact CD2-CD1 4.09Å; L229-L266 HydrophobicContact CD2-CD2 4.3Å; L229-L266 HydrophobicContact CG-CD2 4.08Å; I254-L266 HydrophobicContact CD1-CD1 4.31Å; I254-L266 HydrophobicContact CG2-CD1 3.72Å; I254-L266 HydrophobicContact CG2-CD2 4.38Å; I256-L266 HydrophobicContact CD1-CB 4.3Å; I256-L266 HydrophobicContact CD1-CD1 4.05Å; L266-K268 PolarHBondContact O-N 3.48Å; L266-L269 PolarHBondContact O-N 3.15Å
267S96Very high90Very high6 Ų625.8 Ų25.84%0.04216%0.163CC..G310 helixtrans-66.6-19.7179.966.50000114.5D75 N220 S265D75-S267 VanDerWaalsContact CB-O 3.22Å; D75-S267 WeakPolarHBondContact CB-O 3.28Å; D75-S267 VanDerWaalsContact CG-O 3.3Å; N220-S267 PolarHBondContact ND2-OG 2.6Å; N220-S267 PolarHBondContact OD1-N 2.73Å; S265-S267 PolarHBondContact O-N 3.44Å
268K96.6Very high87.5Confident16 Ų1633 Ų337%0.0719%0.185CC..G310 helixtrans-80.8-19.2-177.6-65.8-175.6-174.3175.80113.7K73 V74 D75 D175 G263 V264 S265 L266K73-K268 CarbonylContact C-O 3.57Å; K73-K268 WeakPolarHBondContact CA-O 3.44Å; V74-K268 PolarHBondContact N-O 3.02Å; V74-K268 VanDerWaalsContact N-O 3.09Å; D75-K268 PolarHBondContact N-O 3.43Å; D175-K268 IonicContact OD2-NZ 2.71Å; G263-K268 PolarHBondContact O-NZ 2.91Å; V264-K268 HydrophobicContact CG1-CB 4.2Å; S265-K268 WeakPolarHBondContact O-CB 3.41Å; S265-K268 PolarHBondContact O-N 2.89Å; S265-K268 WeakPolarHBondContact OG-CE 3.33Å; L266-K268 PolarHBondContact O-N 3.48Å
269L97.3Very high84.7Confident4 Ų439.3 Ų39.32%0.02122%0.215CC..SBendtrans-78.2-16.4-170.2-69.5170.4000114.6V10 F48 V72 V74 I256 L259 V264 L266V10-L269 WeakPolarHBondContact CG1-O 3.45Å; F48-L269 HydrophobicContact CB-CD1 4.37Å; F48-L269 HydrophobicContact CD1-CB 3.8Å; F48-L269 HydrophobicContact CD1-CD1 3.94Å; F48-L269 HydrophobicContact CD1-CG 4.47Å; F48-L269 HydrophobicContact CD2-CD1 4.09Å; F48-L269 HydrophobicContact CE1-CB 3.34Å; F48-L269 HydrophobicContact CE1-CD1 4.21Å; F48-L269 HydrophobicContact CE1-CG 4.4Å; F48-L269 HydrophobicContact CE2-CB 4.43Å; F48-L269 HydrophobicContact CE2-CD1 4.36Å; F48-L269 HydrophobicContact CG-CB 4.5Å; F48-L269 HydrophobicContact CG-CD1 3.87Å; F48-L269 HydrophobicContact CZ-CB 3.7Å; F48-L269 HydrophobicContact CZ-CD1 4.41Å; V72-L269 HydrophobicContact CG2-CD2 3.83Å; V74-L269 VanDerWaalsContact CG2-C 3.4Å; V74-L269 VanDerWaalsContact CG2-O 3.3Å; V74-L269 WeakPolarHBondContact CG2-O 3.33Å; I256-L269 HydrophobicContact CD1-CD1 4.1Å; L259-L269 HydrophobicContact CD1-CD1 4.22Å; L259-L269 HydrophobicContact CD1-CD2 4.11Å; V264-L269 HydrophobicContact CG1-CD2 3.4Å; V264-L269 VanDerWaalsContact CG1-CD2 3.4Å; V264-L269 HydrophobicContact CG1-CG 3.9Å; L266-L269 PolarHBondContact O-N 3.15Å
270A97.6Very high82Confident0 Ų046.8 Ų46.80%025%0.247CC..  trans-144.2143.3-174.400000113.3A8 V9 V10 F48 L52 V74 F272A8-A270 HydrophobicContact CB-CB 4.45Å; V9-A270 WeakPolarHBondContact O-CA 3.46Å; V10-A270 HydrophobicContact CG1-CB 3.98Å; F48-A270 HydrophobicContact CE1-CB 3.88Å; F48-A270 HydrophobicContact CZ-CB 3.86Å; L52-A270 HydrophobicContact CD1-CB 4.12Å; V74-A270 VanDerWaalsContact CG2-CA 3.41Å; A270-F272 HydrophobicContact CB-CD2 4.37Å; A270-F272 HydrophobicContact CB-CE1 4.26Å; A270-F272 HydrophobicContact CB-CE2 3.69Å; A270-F272 HydrophobicContact CB-CZ 3.61Å
271L96.9Very high79.3Confident4 Ų450 Ų502%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-101.1124.2162.3-76.6171000109.3A8 V9 V74 A78 I80 I102A8-L271 CarbonylContact C-O 3.55Å; A8-L271 VanDerWaalsContact CA-O 3.24Å; A8-L271 WeakPolarHBondContact CA-O 3.2Å; V9-L271 HydrophobicContact CB-CB 4.34Å; V9-L271 PolarHBondContact N-O 3.31Å; V9-L271 PolarHBondContact O-N 3.49Å; V74-L271 HydrophobicContact CB-CD1 4.37Å; V74-L271 HydrophobicContact CB-CG 4.28Å; V74-L271 HydrophobicContact CG2-CG 4.31Å; V74-L271 WeakPolarHBondContact O-CD1 3.38Å; V74-L271 WeakPolarHBondContact O-CG 3.32Å; A78-L271 HydrophobicContact CB-CD1 4.05Å; A78-L271 HydrophobicContact CB-CD2 4.23Å; A78-L271 WeakPolarHBondContact O-CD2 3.28Å; I80-L271 HydrophobicContact CD1-CB 4.11Å; I102-L271 HydrophobicContact CD1-CD1 4.16Å; I102-L271 HydrophobicContact CG2-CD1 3.57Å
272F96.2Very high77Confident24 Ų2452.1 Ų52.111%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-99.7138.8-176.7-65.3-81.7000112.7Y5 A8 L52 L222 I224 A270Y5-F272 HydrophobicContact CD1-CB 3.4Å; Y5-F272 VanDerWaalsContact CD1-CB 3.4Å; Y5-F272 HydrophobicContact CD1-CG 4.31Å; Y5-F272 HydrophobicContact CD2-CB 4.25Å; Y5-F272 HydrophobicContact CD2-CD1 4.19Å; Y5-F272 HydrophobicContact CD2-CG 4.34Å; Y5-F272 HydrophobicContact CE1-CB 3.41Å; Y5-F272 VanDerWaalsContact CE1-CB 3.41Å; Y5-F272 HydrophobicContact CE1-CG 4.36Å; Y5-F272 HydrophobicContact CE2-CB 4.28Å; Y5-F272 HydrophobicContact CE2-CG 4.41Å; Y5-F272 HydrophobicContact CG-CB 3.8Å; Y5-F272 HydrophobicContact CG-CD1 4.1Å; Y5-F272 HydrophobicContact CG-CG 4.25Å; A8-F272 HydrophobicContact CB-CD1 3.9Å; A8-F272 HydrophobicContact CB-CE1 3.92Å; L52-F272 HydrophobicContact CD1-CE1 4.25Å; L52-F272 HydrophobicContact CD1-CZ 4.37Å; L52-F272 HydrophobicContact CD2-CE1 3.86Å; L52-F272 HydrophobicContact CD2-CZ 3.85Å; L222-F272 HydrophobicContact CD1-CE2 3.98Å; L222-F272 HydrophobicContact CD1-CZ 3.86Å; L222-F272 HydrophobicContact CD2-CE2 3.85Å; L222-F272 HydrophobicContact CD2-CZ 4.47Å; I224-F272 HydrophobicContact CD1-CE1 3.61Å; I224-F272 HydrophobicContact CD1-CZ 3.6Å; I224-F272 HydrophobicContact CG1-CE1 4.13Å; I224-F272 HydrophobicContact CG1-CZ 4.26Å; A270-F272 HydrophobicContact CB-CD2 4.37Å; A270-F272 HydrophobicContact CB-CE1 4.26Å; A270-F272 HydrophobicContact CB-CE2 3.69Å; A270-F272 HydrophobicContact CB-CZ 3.61Å
273A93.9Very high74.8Confident1 Ų158.4 Ų58.41%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-127.6126.3179.700000110.5Y5 E6 Y7 L110 I112 F276Y5-A273 WeakPolarHBondContact CA-O 3.1Å; E6-A273 PolarHBondContact N-O 3.2Å; Y7-A273 PolarHBondContact N-O 3.02Å; Y7-A273 VanDerWaalsContact N-O 3.07Å; Y7-A273 PolarHBondContact O-N 3.07Å; L110-A273 HydrophobicContact CD1-CB 4Å; I112-A273 HydrophobicContact CD1-CB 4.03Å; A273-F276 HydrophobicContact CB-CE2 4.28Å; A273-F276 HydrophobicContact CB-CZ 3.8Å
274G86.1Confident72.6Confident21 Ų2162 Ų6222%0.21633%0.331CS..PPolyproline II helixtrans-76.1173.617600000113.3Q4 F276Q4-G274 WeakPolarHBondContact O-CA 3.29Å; G274-F276 WeakPolarHBondContact O-CE1 3.49Å; G274-F276 WeakPolarHBondContact O-CZ 3.45Å; G274-F276 PolarHBondContact O-N 3.22Å
275P74.7Confident70.4Confident81 Ų8167.1 Ų67.153%0.52636%0.363SS..PPolyproline II helixtrans-62.5124.3174.926.3-33.5000109.8Q4 E6Q4-P275 WeakPolarHBondContact O-CD 3.49Å; E6-P275 WeakPolarHBondContact OE2-CA 3.37Å; E6-P275 WeakPolarHBondContact OE2-CB 3.43Å
276F65.9Low68.2Low55 Ų5573.7 Ų73.724%0.24140%0.397CS..PPolyproline II helixtrans-81.9129.8170-54-56.2000108.2L110 I112 A273 G274 R278L110-F276 HydrophobicContact CB-CE2 4.12Å; L110-F276 WeakPolarHBondContact O-CD2 3.48Å; I112-F276 HydrophobicContact CD1-CE1 4.35Å; I112-F276 HydrophobicContact CD1-CE2 3.93Å; I112-F276 HydrophobicContact CD1-CZ 3.44Å; I112-F276 VanDerWaalsContact CD1-CZ 3.44Å; I112-F276 HydrophobicContact CG1-CD2 4.49Å; I112-F276 HydrophobicContact CG1-CE1 3.94Å; I112-F276 HydrophobicContact CG1-CE2 3.6Å; I112-F276 HydrophobicContact CG1-CZ 3.28Å; A273-F276 HydrophobicContact CB-CE2 4.28Å; A273-F276 HydrophobicContact CB-CZ 3.8Å; G274-F276 WeakPolarHBondContact O-CE1 3.49Å; G274-F276 WeakPolarHBondContact O-CZ 3.45Å; G274-F276 PolarHBondContact O-N 3.22Å; F276-R278 VanDerWaalsContact C-N 3.3Å; F276-R278 PolarHBondContact O-N 3.11Å
277G52.6Low65.7Low76 Ų7682.7 Ų82.778%0.78446%0.455SS*.  trans-55.9101.916700000107.2Q279G277-Q279 PolarHBondContact O-N 3.23Å
278R43.8Very low64.2Low188 Ų18886.5 Ų86.571%0.70948%0.476SS*.  trans-58.893.1174.1-74.2-178.8179.4173.9-0.3106.4F276 K280F276-R278 VanDerWaalsContact C-N 3.3Å; F276-R278 PolarHBondContact O-N 3.11Å; R278-K280 PolarHBondContact O-N 2.89Å
279Q36.8Very low62.5Low172 Ų17290.2 Ų90.280%0.80450%0.497SS*.  trans-67.468.8150.5-81-170.3-20.100106.6G277 N281G277-Q279 PolarHBondContact O-N 3.23Å; Q279-N281 PolarHBondContact O-N 2.82Å
280K37.6Very low60.6Low157 Ų15795 Ų9568%0.68352%0.523SS*.  trans-64.297140.1-76.8-171.5177.2-174.60102.9R278 I282R278-K280 PolarHBondContact O-N 2.89Å; K280-I282 PolarHBondContact O-N 3.35Å
281N37.8Very low58.4Low124 Ų124100.6 Ų100.666%0.66355%0.554SS**  trans-53.588.9154.2-75.4-33.8000105.6Q279 I283Q279-N281 PolarHBondContact O-N 2.82Å; N281-I283 HydrophobicContact CB-CG1 4.2Å; N281-I283 PolarHBondContact O-N 3.08Å
282I41.9Very low56Low147 Ų147106.6 Ų106.675%0.75459%0.587SS**  trans-64.587.8153.8-64.2176.1000102.6K280 S284K280-I282 PolarHBondContact O-N 3.35Å; I282-S284 PolarHBondContact O-N 3.14Å
283I45.6Very low53.3Low138 Ų138112.1 Ų112.171%0.70862%0.62SS**  trans-67.586.4159.3-58.8174.1000104.2N281 T285N281-I283 HydrophobicContact CB-CG1 4.2Å; N281-I283 PolarHBondContact O-N 3.08Å; I283-T285 VanDerWaalsContact C-N 3.34Å
284S45.4Very low50.4Low82 Ų82120.1 Ų120.157%0.57366%0.663SS**  trans-97.873.1160.2174.20000107I282 I286I282-S284 PolarHBondContact O-N 3.14Å; S284-I286 VanDerWaalsContact C-N 3.31Å
285T46.4Very low47.7Very low109 Ų109127.7 Ų127.767%0.66970%0.698SS**  trans-97.771.5151.754.40000106.8I283I283-T285 VanDerWaalsContact C-N 3.34Å
286I47.8Very low45.4Very low142 Ų142131.6 Ų131.673%0.72871%0.712SS**  trans-63.1127.1140.1-58.9176.8000103.1S284S284-I286 VanDerWaalsContact C-N 3.31Å
287P43.3Very low43.5Very low189 Ų189138.5 Ų138.5100%1.22776%0.755SS**  trans-30.20-150.75.3-27.1000117.6

Retrieved 287 of 287 residues in 429.2 ms (Link to these results)

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