A0A087Y010_POEFO Loading...

Deoxycytidine kinase

AlphaFold DB , UniProt , Accession A0A087Y010, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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
1M43.8Very low41Very low237 Ų237151.8 Ų151.8100%1.16784%0.839SS**  0126.30-71.3-168.5169.700107.9
2P39.5Very low41.2Very low127 Ų127149.6 Ų149.683%0.82584%0.837SS**PPolyproline II helixtrans-74.2138.1179.3-2.419.2000110I4P2-I4 PolarHBondContact O-N 2.64Å
3A44.3Very low41.1Very low98 Ų98150.4 Ų150.481%0.8183%0.833SS**PPolyproline II helixtrans-65.5127.2176.800000110.5
4I44.9Very low40.7Very low155 Ų155148.6 Ų148.680%0.79582%0.822SS**PPolyproline II helixtrans-66128.4174.5-60.4169.4000107.9P2 K6P2-I4 PolarHBondContact O-N 2.64Å; I4-K6 PolarHBondContact O-N 2.7Å
5P44Very low41.1Very low115 Ų115147.6 Ų147.675%0.74782%0.815SS**PPolyproline II helixtrans-65.1124.2174.9-10.124.1000108.7R7P5-R7 PolarHBondContact O-N 3.41Å
6K45.5Very low41.1Very low204 Ų204143.9 Ų143.989%0.88780%0.803SS**PPolyproline II helixtrans-58.1121.6169.7-72.9-177.6177-179.90107.8I4I4-K6 PolarHBondContact O-N 2.7Å
7R44.3Very low41.4Very low232 Ų232145.6 Ų145.688%0.87581%0.805SS**PPolyproline II helixtrans-54.9133.7166.3-75.9-179.1-178.3177.1-0.3107.7P5 C9P5-R7 PolarHBondContact O-N 3.41Å; R7-C9 PolarHBondContact O-N 3.06Å
8P36.2Very low42.4Very low121 Ų121144.2 Ų144.279%0.78679%0.792SS**PPolyproline II helixtrans-61.1129.2172-11.225.3000107.9
9C36Very low43.8Very low114 Ų114142.3 Ų142.377%0.7778%0.775SS**PPolyproline II helixtrans-58.8138.4160-69.30000107.5R7 D11R7-C9 PolarHBondContact O-N 3.06Å; C9-D11 PolarHBondContact O-N 3.44Å; C9-D11 VanDerWaalsContact O-N 3.16Å
10P37.3Very low45.9Very low125 Ų125144.7 Ų144.781%0.81277%0.772SS**PPolyproline II helixtrans-63.1120.2169.325.9-29.9000108
11D34.8Very low48.1Very low142 Ų142138.9 Ų138.976%0.75974%0.741SS**PPolyproline II helixtrans-58.7129.5168.8-101.1-40.8000108.6C9 M13C9-D11 PolarHBondContact O-N 3.44Å; C9-D11 VanDerWaalsContact O-N 3.16Å; D11-M13 PolarHBondContact O-N 3.08Å; D11-M13 VanDerWaalsContact O-N 3.15Å
12P43.3Very low50.6Low125 Ų125129.3 Ų129.381%0.81270%0.696SS**SBendtrans-766.6178.729.8-31.5000113.2
13M40.7Very low53.3Low160 Ų160124.9 Ų124.979%0.78866%0.663SS**  trans-136.579-175.3-72.7-160.415100110.8D11D11-M13 PolarHBondContact O-N 3.08Å; D11-M13 VanDerWaalsContact O-N 3.15Å
14N35.5Very low55.8Low126 Ų126120.2 Ų120.267%0.67462%0.624SS**  trans-11373.8156-160.115000108.2S16N14-S16 PolarHBondContact O-N 3.07Å; N14-S16 VanDerWaalsContact O-N 3.07Å; N14-S16 PolarHBondContact OD1-OG 3.16Å
15D46.8Very low58.4Low133 Ų133112.9 Ų112.971%0.71159%0.586SS**THydrogen-bonded Turntrans-72.910-175.8-136.59.5000113
16S41.3Very low61Low89 Ų89107.4 Ų107.462%0.62255%0.551SS**THydrogen-bonded Turntrans-94.5-0.1-165.364.70000115.1N14N14-S16 PolarHBondContact O-N 3.07Å; N14-S16 VanDerWaalsContact O-N 3.07Å; N14-S16 PolarHBondContact OD1-OG 3.16Å
17M46.4Very low63.5Low173 Ų17397.7 Ų97.785%0.85251%0.508SS*.SBendtrans-145.613.4179.4-72.6-172.76400114.4K19M17-K19 PolarHBondContact O-N 3.22Å
18E59.3Low66.1Low119 Ų11986.6 Ų86.656%0.55647%0.467SS*.PPolyproline II helixtrans-75.2121.1176-70.8-164.1160.800109.9R20 R117E18-R20 PolarHBondContact O-N 2.68Å; E18-R117 IonicContact OE1-NH2 2.76Å
19K68.9Low69.1Low108 Ų10881 Ų8147%0.4743%0.43SS..PPolyproline II helixtrans-58.3134.7173.2-72.2175.9175.7174.70108.9M17 I21 A119 P122M17-K19 PolarHBondContact O-N 3.22Å; K19-I21 PolarHBondContact O-N 3.32Å; K19-A119 WeakPolarHBondContact CD-O 3.42Å; K19-A119 PolarHBondContact NZ-O 3.34Å; K19-P122 HydrophobicContact CB-CG 4.4Å
20R85.9Confident72Confident190 Ų19075.8 Ų75.872%0.71739%0.394SS*.PPolyproline II helixtrans-62.2122.4175-177.8-176.8177.8123.3-2.9108.9E18 D173E18-R20 PolarHBondContact O-N 2.68Å; R20-D173 IonicContact CZ-OD1 3.16Å; R20-D173 IonicContact NE-OD1 2.9Å; R20-D173 IonicContact NH2-OD1 3.88Å; R20-D173 PolarHBondContact NH2-OD1 3Å
21I91.7Very high74.8Confident23 Ų2370.5 Ų70.512%0.11836%0.362CS..PPolyproline II helixtrans-85.9124.8173-59175.7000108.3K19 R23 L116 P122 L124K19-I21 PolarHBondContact O-N 3.32Å; I21-R23 HydrophobicContact CG2-CG 4.48Å; I21-L116 HydrophobicContact CG2-CD1 4.14Å; I21-P122 HydrophobicContact CG1-CB 4.17Å; I21-P122 HydrophobicContact CG1-CG 4.16Å; I21-P122 HydrophobicContact CG2-CB 4.49Å; I21-L124 HydrophobicContact CG2-CB 3.65Å
22T95.1Very high77.7Confident37 Ų3763.8 Ų63.823%0.22733%0.326CS..EExtended strand (participates in β ladder)trans-78121.7173.3-57.90000109.5I24 P122 V123 L124 D173 L263T22-I24 HydrophobicContact CG2-CD1 3.89Å; T22-I24 HydrophobicContact CG2-CG1 4.3Å; T22-P122 PolarHBondContact N-O 2.88Å; T22-V123 CarbonylContact O-C 3.58Å; T22-V123 WeakPolarHBondContact O-CA 3.47Å; T22-L124 PolarHBondContact O-N 3.02Å; T22-D173 WeakPolarHBondContact CA-OD2 3.33Å; T22-D173 HydrophobicContact CG2-CB 3.91Å; T22-L263 HydrophobicContact CG2-CD1 4.02Å
23R96.4Very high80.3Confident34 Ų3458.5 Ų58.513%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-107.7118.2-175.1-64.3178.6-169.793.8-0.3111.2I21 L124 Y126 K168 H169 E171 L172 D173 G174I21-R23 HydrophobicContact CG2-CG 4.48Å; R23-L124 WeakPolarHBondContact CA-O 3.47Å; R23-Y126 HydrophobicContact CB-CE2 3.91Å; R23-Y126 VanDerWaalsContact CD-OH 3.31Å; R23-Y126 WeakPolarHBondContact CD-OH 3.42Å; R23-Y126 HydrophobicContact CG-CE2 4.16Å; R23-K168 PolarHBondContact NH2-O 3.38Å; R23-H169 WeakPolarHBondContact CD-O 3.48Å; R23-H169 PolarHBondContact NE-O 3.45Å; R23-E171 VanDerWaalsContact CD-O 3.27Å; R23-E171 WeakPolarHBondContact CD-O 3.28Å; R23-L172 HydrophobicContact CB-CD2 4.5Å; R23-D173 PolarHBondContact N-OD2 3.03Å; R23-D173 PolarHBondContact O-N 3.48Å; R23-G174 PolarHBondContact O-N 3.35Å
24I98.3Very high83Confident0 Ų051.3 Ų51.30%026%0.258CS..EExtended strand (participates in β ladder)trans-118.5127.3-177.4-52.7-60000109.8T22 V123 L124 F125 Y126 G174 I176 F259 L260 L263T22-I24 HydrophobicContact CG2-CD1 3.89Å; T22-I24 HydrophobicContact CG2-CG1 4.3Å; I24-V123 HydrophobicContact CG1-CG1 3.95Å; I24-L124 PolarHBondContact N-O 3.27Å; I24-F125 HydrophobicContact CB-CD1 3.69Å; I24-F125 HydrophobicContact CB-CE1 3.89Å; I24-F125 HydrophobicContact CG1-CD1 4.35Å; I24-F125 HydrophobicContact CG1-CE1 4.11Å; I24-F125 HydrophobicContact CG2-CD1 3.89Å; I24-F125 HydrophobicContact CG2-CE1 3.97Å; I24-F125 CarbonylContact O-C 3.56Å; I24-F125 VanDerWaalsContact O-CA 3.29Å; I24-F125 WeakPolarHBondContact O-CA 3.32Å; I24-Y126 PolarHBondContact O-N 3.27Å; I24-G174 WeakPolarHBondContact CA-O 3.46Å; I24-I176 HydrophobicContact CG2-CD1 3.7Å; I24-I176 HydrophobicContact CG2-CG1 3.74Å; I24-F259 HydrophobicContact CD1-CE1 4.41Å; I24-L260 HydrophobicContact CD1-CD2 3.95Å; I24-L260 HydrophobicContact CG1-CD2 3.78Å; I24-L263 HydrophobicContact CD1-CD1 3.39Å
25S98.5Very high85.8Confident0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-94.1135.6170.4-165.40000111.8E27 R128 S129 G174 I175 I176S25-E27 PolarHBondContact OG-OE1 3.1Å; S25-R128 PolarHBondContact OG-O 2.74Å; S25-S129 WeakPolarHBondContact OG-CB 3.45Å; S25-S129 PolarHBondContact OG-N 2.91Å; S25-G174 PolarHBondContact N-O 3.42Å; S25-G174 VanDerWaalsContact N-O 3.08Å; S25-I175 CarbonylContact O-C 3.57Å; S25-I175 WeakPolarHBondContact O-CA 2.96Å; S25-I176 PolarHBondContact O-N 2.9Å
26I98.7Very high88Confident0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-99.4107.2171.4-47.7-164.8000108.3K34 F37 V38 L41 F125 Y126 R128 I176 L178I26-K34 HydrophobicContact CG2-CG 4.33Å; I26-K34 WeakPolarHBondContact O-CD 3.44Å; I26-F37 HydrophobicContact CD1-CD1 3.84Å; I26-F37 HydrophobicContact CD1-CE1 4.19Å; I26-F37 HydrophobicContact CG2-CD1 4.16Å; I26-V38 HydrophobicContact CD1-CG1 3.53Å; I26-V38 HydrophobicContact CG1-CG1 4.37Å; I26-L41 HydrophobicContact CD1-CD1 3.28Å; I26-F125 HydrophobicContact CD1-CB 4.39Å; I26-F125 HydrophobicContact CD1-CD1 4.15Å; I26-F125 HydrophobicContact CG1-CD1 4.34Å; I26-Y126 PolarHBondContact N-O 3.3Å; I26-R128 PolarHBondContact O-N 3.15Å; I26-I176 CarbonylContact C-O 3.5Å; I26-I176 WeakPolarHBondContact CA-O 3.4Å; I26-L178 HydrophobicContact CG2-CD1 3.82Å; I26-L178 HydrophobicContact CG2-CG 3.84Å
27E98.8Very high90.7Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-106.1156-174.5-63.9-65.6-178.500111.5S25 S129 S132 I175 I176 L178 W215 L216S25-E27 PolarHBondContact OG-OE1 3.1Å; E27-S129 VanDerWaalsContact OE1-CB 3.28Å; E27-S129 WeakPolarHBondContact OE1-CB 3.24Å; E27-S129 PolarHBondContact OE1-N 3.1Å; E27-S129 PolarHBondContact OE1-OG 3.07Å; E27-S132 VanDerWaalsContact OE2-CB 3.27Å; E27-S132 WeakPolarHBondContact OE2-CB 3.37Å; E27-S132 PolarHBondContact OE2-OG 3.4Å; E27-I175 HydrophobicContact CB-CG2 4.13Å; E27-I175 HydrophobicContact CG-CG2 3.72Å; E27-I176 PolarHBondContact N-O 2.72Å; E27-L178 PolarHBondContact O-N 3.16Å; E27-W215 HydrophobicContact CG-CH2 3.92Å; E27-W215 HydrophobicContact CG-CZ3 3.92Å; E27-W215 WeakPolarHBondContact OE1-CH2 3.43Å; E27-L216 HydrophobicContact CB-CD1 3.58Å; E27-L216 HydrophobicContact CG-CD1 4.24Å
28G98.4Very high93Very high0 Ų030.4 Ų30.40%015%0.147CC..  trans156.4161.4179.500000113.3K34 H212G28-K34 PolarHBondContact O-NZ 3.4Å; G28-H212 VanDerWaalsContact C-NE2 3.34Å; G28-H212 PolarHBondContact O-NE2 3.5Å
29N98.4Very high94.6Very high2 Ų232.8 Ų32.81%0.01115%0.151CC..SBendtrans-62.3168.1-176.7-154.8-6.9000112.5A31 A32 K34 L205 L208N29-A31 PolarHBondContact O-N 3.48Å; N29-A32 VanDerWaalsContact O-CB 3.25Å; N29-A32 WeakPolarHBondContact O-CB 3.49Å; N29-A32 PolarHBondContact O-N 3.49Å; N29-A32 VanDerWaalsContact O-N 3.16Å; N29-K34 PolarHBondContact O-NZ 3.3Å; N29-L205 PolarHBondContact ND2-O 3.34Å; N29-L208 WeakPolarHBondContact OD1-CB 3.43Å
30I97.1Very high95.7Very high5 Ų529.6 Ų29.63%0.02614%0.139CC..THydrogen-bonded Turntrans-55.5136.5173.8-57.2175000108.6A32 F137 C185 L189 I200 Y204 L205 L208I30-A32 PolarHBondContact O-N 2.89Å; I30-F137 HydrophobicContact CG1-CE1 4.34Å; I30-C185 VanDerWaalsContact O-CB 3.29Å; I30-C185 WeakPolarHBondContact O-CB 3.38Å; I30-C185 PolarHBondContact O-SG 3.36Å; I30-L189 HydrophobicContact CG2-CD1 3.84Å; I30-I200 HydrophobicContact CD1-CD1 4.33Å; I30-Y204 HydrophobicContact CD1-CD1 4.46Å; I30-Y204 HydrophobicContact CD1-CE1 3.85Å; I30-L205 HydrophobicContact CB-CD2 3.89Å; I30-L205 HydrophobicContact CD1-CD2 4.18Å; I30-L205 HydrophobicContact CG1-CD2 4.36Å; I30-L208 HydrophobicContact CD1-CD1 3.77Å; I30-L208 HydrophobicContact CG1-CD1 4.04Å
31A95.8Very high96.1Very high15 Ų1520.5 Ų20.512%0.12411%0.105CC..THydrogen-bonded Turntrans56.315.1-177.900000116.5N29 G33 C185 R188 L189N29-A31 PolarHBondContact O-N 3.48Å; A31-G33 PolarHBondContact O-N 2.87Å; A31-G33 VanDerWaalsContact O-N 3.13Å; A31-C185 WeakPolarHBondContact CB-O 3.35Å; A31-R188 HydrophobicContact CB-CB 3.91Å; A31-R188 WeakPolarHBondContact O-CB 3.47Å; A31-R188 WeakPolarHBondContact O-CD 3.27Å; A31-L189 HydrophobicContact CB-CB 3.85Å
32A97.3Very high96.1Very high0 Ų025 Ų250%013%0.125CC..SBendtrans-61.6-22.1176.300000113.9N29 I30 A180 R188 V238N29-A32 VanDerWaalsContact O-CB 3.25Å; N29-A32 WeakPolarHBondContact O-CB 3.49Å; N29-A32 PolarHBondContact O-N 3.49Å; N29-A32 VanDerWaalsContact O-N 3.16Å; I30-A32 PolarHBondContact O-N 2.89Å; A32-A180 HydrophobicContact CB-CB 4.42Å; A32-R188 PolarHBondContact O-NH1 2.88Å; A32-V238 WeakPolarHBondContact O-CG2 3.45Å
33G96.2Very high95.9Very high14 Ų1430.6 Ų30.614%0.14415%0.149CC..SBendtrans120.85178.700000115.1A31 S35 T36 F37A31-G33 PolarHBondContact O-N 2.87Å; A31-G33 VanDerWaalsContact O-N 3.13Å; G33-S35 PolarHBondContact O-N 2.86Å; G33-T36 WeakPolarHBondContact O-CA 3.24Å; G33-T36 VanDerWaalsContact O-CB 3.32Å; G33-T36 WeakPolarHBondContact O-CB 3.47Å; G33-T36 PolarHBondContact O-N 2.98Å; G33-F37 PolarHBondContact O-N 3.49Å
34K97.3Very high95.8Very high9 Ų932.9 Ų32.94%0.03916%0.161CC..Hα-helixtrans-47.4-56.7-177.8-61.9-175.8-64.6-70.90114.1I26 G28 N29 T36 F37 V38 E127 R128 L178I26-K34 HydrophobicContact CG2-CG 4.33Å; I26-K34 WeakPolarHBondContact O-CD 3.44Å; G28-K34 PolarHBondContact O-NZ 3.4Å; N29-K34 PolarHBondContact O-NZ 3.3Å; K34-T36 PolarHBondContact O-N 3.44Å; K34-T36 VanDerWaalsContact O-N 3.11Å; K34-F37 PolarHBondContact O-N 3.33Å; K34-V38 PolarHBondContact O-N 3.44Å; K34-E127 HydrophobicContact CB-CG 4.02Å; K34-E127 HydrophobicContact CD-CG 4.43Å; K34-R128 HydrophobicContact CD-CG 4.06Å; K34-L178 HydrophobicContact CB-CD1 4.46Å; K34-L178 HydrophobicContact CG-CD1 4.11Å
35S94.4Very high95.5Very high29 Ų2934.7 Ų34.720%0.20317%0.174CC..Hα-helixtrans-62.8-22.4-179.7-29.50000113.4G33 V38 R39 E127G33-S35 PolarHBondContact O-N 2.86Å; S35-V38 WeakPolarHBondContact O-CG2 3.22Å; S35-R39 WeakPolarHBondContact O-CD 3.36Å; S35-R39 VanDerWaalsContact O-CG 3.29Å; S35-R39 WeakPolarHBondContact O-CG 3.44Å; S35-E127 WeakPolarHBondContact CA-OE1 3.5Å; S35-E127 WeakPolarHBondContact CB-OE1 3.49Å; S35-E127 PolarHBondContact N-OE1 3.37Å; S35-E127 VanDerWaalsContact N-OE1 3.11Å; S35-E127 PolarHBondContact OG-OE1 3.49Å
36T94.9Very high95.1Very high48 Ų4841.1 Ų41.129%0.29421%0.213SC..Hα-helixtrans-78.5-43.3173.2-58.20000110.2G33 K34 R39 L40 F242 K243G33-T36 WeakPolarHBondContact O-CA 3.24Å; G33-T36 VanDerWaalsContact O-CB 3.32Å; G33-T36 WeakPolarHBondContact O-CB 3.47Å; G33-T36 PolarHBondContact O-N 2.98Å; K34-T36 PolarHBondContact O-N 3.44Å; K34-T36 VanDerWaalsContact O-N 3.11Å; T36-R39 PolarHBondContact O-N 3.02Å; T36-L40 PolarHBondContact O-N 3.33Å; T36-F242 HydrophobicContact CG2-CE2 3.83Å; T36-F242 HydrophobicContact CG2-CZ 4.22Å; T36-K243 HydrophobicContact CG2-CB 4.05Å; T36-K243 HydrophobicContact CG2-CD 4.08Å; T36-K243 HydrophobicContact CG2-CG 3.88Å
37F96.6Very high94.8Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-68.1-42.2-179.6-170.9-118.3000113.1I26 G33 K34 R39 L40 L41 I176 L178 L236 F242 M252 I253 V256I26-F37 HydrophobicContact CD1-CD1 3.84Å; I26-F37 HydrophobicContact CD1-CE1 4.19Å; I26-F37 HydrophobicContact CG2-CD1 4.16Å; G33-F37 PolarHBondContact O-N 3.49Å; K34-F37 PolarHBondContact O-N 3.33Å; F37-R39 VanDerWaalsContact C-N 3.25Å; F37-R39 PolarHBondContact O-N 3.07Å; F37-L40 HydrophobicContact CD2-CD1 4.36Å; F37-L40 WeakPolarHBondContact O-CB 3.42Å; F37-L40 PolarHBondContact O-N 3.5Å; F37-L41 HydrophobicContact CD1-CD1 3.97Å; F37-L41 HydrophobicContact CD1-CG 4.48Å; F37-L41 HydrophobicContact CE1-CD1 3.77Å; F37-L41 HydrophobicContact CE1-CD2 4.4Å; F37-L41 HydrophobicContact CE1-CG 4.21Å; F37-L41 HydrophobicContact CZ-CD1 4.4Å; F37-L41 HydrophobicContact CZ-CD2 4.26Å; F37-L41 HydrophobicContact CZ-CG 4.39Å; F37-L41 PolarHBondContact O-N 2.91Å; F37-I176 HydrophobicContact CE1-CG2 4.14Å; F37-L178 HydrophobicContact CB-CD1 3.74Å; F37-L178 HydrophobicContact CD1-CD1 4.02Å; F37-L178 HydrophobicContact CD1-CD2 3.94Å; F37-L178 HydrophobicContact CD1-CG 4.44Å; F37-L178 HydrophobicContact CE1-CD2 4.18Å; F37-L178 HydrophobicContact CG-CD1 4.07Å; F37-L178 HydrophobicContact CG-CD2 4.3Å; F37-L236 HydrophobicContact CE1-CD1 4.22Å; F37-L236 HydrophobicContact CE2-CD1 4.42Å; F37-L236 HydrophobicContact CZ-CD1 3.79Å; F37-F242 HydrophobicContact CB-CE2 4.13Å; F37-F242 HydrophobicContact CB-CZ 4.1Å; F37-F242 HydrophobicContact CD2-CE2 4.26Å; F37-M252 HydrophobicContact CD2-CE 3.68Å; F37-M252 HydrophobicContact CE2-CB 4Å; F37-M252 HydrophobicContact CE2-CE 3.58Å; F37-M252 HydrophobicContact CG-CE 4.48Å; F37-M252 HydrophobicContact CZ-CE 4.28Å; F37-I253 HydrophobicContact CE2-CD1 4.24Å; F37-V256 HydrophobicContact CE1-CG2 4.26Å; F37-V256 HydrophobicContact CZ-CG2 3.75Å
38V94.3Very high94.6Very high6 Ų644.1 Ų44.14%0.03623%0.227CC..Hα-helixtrans-60.4-34.7176.2-630000112.5I26 K34 S35 L40 L41 E42 V50 E127I26-V38 HydrophobicContact CD1-CG1 3.53Å; I26-V38 HydrophobicContact CG1-CG1 4.37Å; K34-V38 PolarHBondContact O-N 3.44Å; S35-V38 WeakPolarHBondContact O-CG2 3.22Å; V38-L40 VanDerWaalsContact C-N 3.29Å; V38-L40 PolarHBondContact O-N 3.46Å; V38-L41 PolarHBondContact O-N 3.21Å; V38-E42 PolarHBondContact O-N 3.14Å; V38-V50 HydrophobicContact CB-CG1 3.67Å; V38-V50 HydrophobicContact CB-CG2 4.17Å; V38-V50 HydrophobicContact CG1-CG1 4.13Å; V38-V50 HydrophobicContact CG2-CG1 4.06Å; V38-E127 HydrophobicContact CG1-CB 4.35Å
39R92.9Very high94.4Very high169 Ų16946 Ų4664%0.63824%0.236SC*.Hα-helixtrans-68-29.6175.6-71.3174.2-172.6-168.4-0.1112.6S35 T36 F37 Q43S35-R39 WeakPolarHBondContact O-CD 3.36Å; S35-R39 VanDerWaalsContact O-CG 3.29Å; S35-R39 WeakPolarHBondContact O-CG 3.44Å; T36-R39 PolarHBondContact O-N 3.02Å; F37-R39 VanDerWaalsContact C-N 3.25Å; F37-R39 PolarHBondContact O-N 3.07Å; R39-Q43 WeakPolarHBondContact O-CG 3.49Å
40L93.8Very high94.2Very high40 Ų4046.7 Ų46.721%0.20924%0.24CC..Hα-helixtrans-69-47.9171.9-64.3171.8000109.3T36 F37 V38 E42 Q43 E44 F242 I253T36-L40 PolarHBondContact O-N 3.33Å; F37-L40 HydrophobicContact CD2-CD1 4.36Å; F37-L40 WeakPolarHBondContact O-CB 3.42Å; F37-L40 PolarHBondContact O-N 3.5Å; V38-L40 VanDerWaalsContact C-N 3.29Å; V38-L40 PolarHBondContact O-N 3.46Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 3.1Å; L40-Q43 PolarHBondContact O-N 2.91Å; L40-E44 WeakPolarHBondContact O-CG 3.36Å; L40-F242 HydrophobicContact CD1-CD2 3.91Å; L40-F242 HydrophobicContact CD1-CE2 3.95Å; L40-I253 HydrophobicContact CB-CD1 4.41Å
41L94.2Very high94.1Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-58-42.7178.1-66.1170.1000112.8I26 F37 V38 Q43 E44 W48 F125 I253 V256I26-L41 HydrophobicContact CD1-CD1 3.28Å; F37-L41 HydrophobicContact CD1-CD1 3.97Å; F37-L41 HydrophobicContact CD1-CG 4.48Å; F37-L41 HydrophobicContact CE1-CD1 3.77Å; F37-L41 HydrophobicContact CE1-CD2 4.4Å; F37-L41 HydrophobicContact CE1-CG 4.21Å; F37-L41 HydrophobicContact CZ-CD1 4.4Å; F37-L41 HydrophobicContact CZ-CD2 4.26Å; F37-L41 HydrophobicContact CZ-CG 4.39Å; F37-L41 PolarHBondContact O-N 2.91Å; V38-L41 PolarHBondContact O-N 3.21Å; L41-Q43 PolarHBondContact O-N 3.03Å; L41-Q43 VanDerWaalsContact O-N 3.13Å; L41-E44 PolarHBondContact O-N 2.84Å; L41-E44 VanDerWaalsContact O-N 3.08Å; L41-W48 HydrophobicContact CB-CE3 4.29Å; L41-W48 HydrophobicContact CD2-CE3 4.15Å; L41-W48 HydrophobicContact CD2-CZ3 3.64Å; L41-F125 HydrophobicContact CB-CE2 4.48Å; L41-F125 HydrophobicContact CD1-CD1 3.82Å; L41-F125 HydrophobicContact CD1-CD2 4.36Å; L41-F125 HydrophobicContact CD1-CE1 3.93Å; L41-F125 HydrophobicContact CD1-CE2 4.45Å; L41-F125 HydrophobicContact CD1-CG 4.04Å; L41-F125 HydrophobicContact CD1-CZ 4.23Å; L41-F125 HydrophobicContact CD2-CZ 4.23Å; L41-I253 HydrophobicContact CD2-CD1 3.62Å; L41-I253 HydrophobicContact CG-CD1 4.31Å; L41-V256 HydrophobicContact CD2-CB 4.47Å; L41-V256 HydrophobicContact CD2-CG1 3.97Å; L41-V256 HydrophobicContact CD2-CG2 4.4Å
42E91.1Very high94Very high116 Ų11649 Ų4954%0.54225%0.253SS..Hα-helixtrans-60.2-23.4178.6-168.8174.8-15300113.1V38 L40 V50V38-E42 PolarHBondContact O-N 3.14Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 3.1Å; E42-V50 HydrophobicContact CB-CG2 4.08Å
43Q91.3Very high93.8Very high155 Ų15549.9 Ų49.972%0.72426%0.258SS*.Hα-helixtrans-89.1-13.3179.3-66.5173.16.200113.4R39 L40 L41R39-Q43 WeakPolarHBondContact O-CG 3.49Å; L40-Q43 PolarHBondContact O-N 2.91Å; L41-Q43 PolarHBondContact O-N 3.03Å; L41-Q43 VanDerWaalsContact O-N 3.13Å
44E93.3Very high93.6Very high83 Ų8350.5 Ų50.539%0.38826%0.259SS..Hα-helixtrans-84.6-30.5-169.9-75.6-63.8141.500114.3L40 L41 W48 I253 K257L40-E44 WeakPolarHBondContact O-CG 3.36Å; L41-E44 PolarHBondContact O-N 2.84Å; L41-E44 VanDerWaalsContact O-N 3.08Å; E44-W48 HydrophobicContact CB-CE3 3.94Å; E44-W48 HydrophobicContact CB-CH2 4.5Å; E44-W48 HydrophobicContact CB-CZ3 3.68Å; E44-W48 HydrophobicContact CG-CZ3 4.33Å; E44-I253 HydrophobicContact CG-CD1 3.9Å; E44-I253 HydrophobicContact CG-CG1 4.02Å; E44-I253 HydrophobicContact CG-CG2 3.75Å; E44-I253 WeakPolarHBondContact OE2-CG2 3.29Å; E44-K257 IonicContact OE2-NZ 2.84Å; E44-K257 PolarHBondContact OE2-NZ 3.19Å
45S91.9Very high93.3Very high38 Ų3850.8 Ų50.827%0.26626%0.261SS..  trans-153.2142-175.2-177.90000111.7D47 W48S45-D47 PolarHBondContact O-N 2.93Å; S45-D47 PolarHBondContact OG-N 3.29Å; S45-D47 VanDerWaalsContact OG-N 3.16Å; S45-W48 PolarHBondContact O-N 2.92Å
46T90.3Very high93.1Very high135 Ų13553.5 Ų53.583%0.82829%0.285SS*.THydrogen-bonded Turntrans-72.3-16.9171.952.20000113.1W48T46-W48 VanDerWaalsContact C-N 3.27Å
47D92.7Very high92.8Very high32 Ų3253.3 Ų53.317%0.17128%0.278CS..THydrogen-bonded Turntrans-86.6-1.3177.9-73.916.5000112S45 L116 A119 E120 N121 P122 V123S45-D47 PolarHBondContact O-N 2.93Å; S45-D47 PolarHBondContact OG-N 3.29Å; S45-D47 VanDerWaalsContact OG-N 3.16Å; D47-L116 VanDerWaalsContact O-CD2 3.22Å; D47-L116 WeakPolarHBondContact O-CD2 3.25Å; D47-A119 HydrophobicContact CB-CB 4Å; D47-E120 PolarHBondContact OD2-N 3.42Å; D47-N121 PolarHBondContact OD2-N 3.11Å; D47-P122 WeakPolarHBondContact O-CA 3.45Å; D47-V123 PolarHBondContact O-N 3.35Å
48W93.9Very high92.6Very high31 Ų3153.7 Ų53.712%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-108.6130.9-178.2-64.20.9000110.3L41 E44 S45 T46 V123 F125 V256 K257 L260L41-W48 HydrophobicContact CB-CE3 4.29Å; L41-W48 HydrophobicContact CD2-CE3 4.15Å; L41-W48 HydrophobicContact CD2-CZ3 3.64Å; E44-W48 HydrophobicContact CB-CE3 3.94Å; E44-W48 HydrophobicContact CB-CH2 4.5Å; E44-W48 HydrophobicContact CB-CZ3 3.68Å; E44-W48 HydrophobicContact CG-CZ3 4.33Å; S45-W48 PolarHBondContact O-N 2.92Å; T46-W48 VanDerWaalsContact C-N 3.27Å; W48-V123 WeakPolarHBondContact CA-O 3.28Å; W48-V123 HydrophobicContact CG-CB 4.28Å; W48-F125 HydrophobicContact CB-CD2 4.41Å; W48-F125 HydrophobicContact CB-CE2 3.98Å; W48-F125 AromaticContact CD2-CE2 3.7Å; W48-F125 HydrophobicContact CD2-CE2 3.7Å; W48-F125 HydrophobicContact CD2-CZ 4.21Å; W48-F125 AromaticContact CE3-CE2 3.76Å; W48-F125 HydrophobicContact CE3-CE2 3.76Å; W48-F125 HydrophobicContact CE3-CZ 4.15Å; W48-F125 AromaticContact CG-CE2 3.8Å; W48-F125 HydrophobicContact CG-CE2 3.8Å; W48-F125 HydrophobicContact CZ3-CE2 4.48Å; W48-F125 HydrophobicContact CZ3-CZ 4.44Å; W48-V256 HydrophobicContact CH2-CG1 4.19Å; W48-K257 HydrophobicContact CH2-CG 3.84Å; W48-K257 HydrophobicContact CZ2-CG 4.17Å; W48-L260 HydrophobicContact CH2-CD1 4.03Å; W48-L260 HydrophobicContact CZ2-CD1 3.43Å; W48-L260 VanDerWaalsContact CZ2-CD1 3.43Å
49E93.8Very high92.5Very high40 Ų4055 Ų5519%0.18729%0.289CS..EExtended strand (participates in β ladder)trans-122.9150173.2-171.6171.8153.100109.8S111 L116 V123 L124 F125E49-S111 VanDerWaalsContact CD-OG 3.27Å; E49-S111 PolarHBondContact OE1-OG 3.22Å; E49-L116 HydrophobicContact CB-CD1 3.79Å; E49-L116 HydrophobicContact CB-CD2 3.94Å; E49-L116 HydrophobicContact CB-CG 3.83Å; E49-V123 PolarHBondContact N-O 3.45Å; E49-L124 HydrophobicContact CB-CD1 3.78Å; E49-L124 HydrophobicContact CG-CD1 4.03Å; E49-F125 PolarHBondContact O-N 3.28Å
50V94.5Very high92.4Very high16 Ų1648.8 Ų48.810%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-118.3132.6179.61720000109.6V38 E42 P52 F125V38-V50 HydrophobicContact CB-CG1 3.67Å; V38-V50 HydrophobicContact CB-CG2 4.17Å; V38-V50 HydrophobicContact CG1-CG1 4.13Å; V38-V50 HydrophobicContact CG2-CG1 4.06Å; E42-V50 HydrophobicContact CB-CG2 4.08Å; V50-P52 WeakPolarHBondContact O-CD 3.43Å; V50-F125 CarbonylContact C-O 3.57Å; V50-F125 WeakPolarHBondContact CA-O 3.27Å; V50-F125 HydrophobicContact CG2-CB 4.23Å
51V94.8Very high92Very high12 Ų1249 Ų497%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-103.1101.9164.2-167.20000108.3A107 Q108 S111 L124 F125 Y126 E127V51-A107 HydrophobicContact CG1-CB 3.75Å; V51-Q108 HydrophobicContact CG1-CG 4.34Å; V51-S111 WeakPolarHBondContact CG2-OG 3.39Å; V51-L124 HydrophobicContact CG2-CD1 3.74Å; V51-L124 HydrophobicContact CG2-CD2 4.45Å; V51-L124 HydrophobicContact CG2-CG 4.2Å; V51-F125 PolarHBondContact N-O 2.95Å; V51-Y126 HydrophobicContact CB-CD1 3.82Å; V51-Y126 HydrophobicContact CB-CE1 4.32Å; V51-Y126 HydrophobicContact CG2-CD1 3.69Å; V51-Y126 HydrophobicContact CG2-CE1 3.72Å; V51-E127 PolarHBondContact O-N 3.43Å
52P94.5Very high91.4Very high55 Ų5550.8 Ų50.836%0.35728%0.28SS..  trans-71.5161.9179.331-35.6000111.2V50V50-P52 WeakPolarHBondContact O-CD 3.43Å
53E92.8Very high90.5Very high20 Ų2051.9 Ų51.99%0.09329%0.294CS..  trans-68.3132.9174.4-172.1169.6-122.300110I55 W58 R104 E127 R128E53-I55 HydrophobicContact CB-CD1 4.3Å; E53-I55 HydrophobicContact CB-CG1 4Å; E53-I55 HydrophobicContact CG-CD1 4.3Å; E53-I55 HydrophobicContact CG-CG1 3.72Å; E53-I55 PolarHBondContact O-N 2.92Å; E53-I55 WeakPolarHBondContact OE2-CD1 3.37Å; E53-W58 VanDerWaalsContact CD-CH2 3.42Å; E53-W58 HydrophobicContact CG-CH2 3.3Å; E53-W58 HydrophobicContact CG-CZ2 4.05Å; E53-W58 HydrophobicContact CG-CZ3 3.63Å; E53-W58 VanDerWaalsContact OE1-CH2 3.3Å; E53-W58 WeakPolarHBondContact OE1-CH2 3.49Å; E53-R104 IonicContact OE1-CZ 2.89Å; E53-R104 IonicContact OE1-NH1 3.62Å; E53-R104 IonicContact OE1-NH2 2.68Å; E53-R104 PolarHBondContact OE1-NH2 2.78Å; E53-E127 HydrophobicContact CB-CB 4.32Å; E53-E127 HydrophobicContact CB-CG 4.06Å; E53-E127 PolarHBondContact N-OE2 3.08Å; E53-R128 WeakPolarHBondContact OE1-CD 3.43Å; E53-R128 IonicContact OE1-CZ 3.69Å; E53-R128 IonicContact OE1-NE 2.77Å; E53-R128 IonicContact OE1-NH1 2.75Å; E53-R128 PolarHBondContact OE1-NH1 2.77Å; E53-R128 IonicContact OE2-CZ 3.65Å; E53-R128 IonicContact OE2-NH1 2.71Å; E53-R128 PolarHBondContact OE2-NH1 2.94Å
54P92.1Very high89.1Confident26 Ų2648.8 Ų48.817%0.16929%0.286CS..  trans-78.346.4-172.531-34.3000113.4A56 R57 W58P54-A56 VanDerWaalsContact C-N 3.32Å; P54-A56 PolarHBondContact O-N 3.26Å; P54-R57 HydrophobicContact CB-CB 4.29Å; P54-R57 VanDerWaalsContact O-CB 3.25Å; P54-R57 WeakPolarHBondContact O-CB 3.29Å; P54-R57 PolarHBondContact O-N 2.71Å; P54-W58 HydrophobicContact CG-CZ2 3.73Å; P54-W58 PolarHBondContact O-N 3.26Å
55I90.8Very high87.3Confident16 Ų1649.8 Ų49.88%0.08230%0.303CS..Hα-helixtrans-61.6-38.4-173.4-53.3174.8000111.9E53 R57 W58 C59 L82E53-I55 HydrophobicContact CB-CD1 4.3Å; E53-I55 HydrophobicContact CB-CG1 4Å; E53-I55 HydrophobicContact CG-CD1 4.3Å; E53-I55 HydrophobicContact CG-CG1 3.72Å; E53-I55 PolarHBondContact O-N 2.92Å; E53-I55 WeakPolarHBondContact OE2-CD1 3.37Å; I55-R57 PolarHBondContact O-N 2.85Å; I55-W58 HydrophobicContact CB-CE3 4.39Å; I55-W58 HydrophobicContact CG1-CE3 4.12Å; I55-W58 HydrophobicContact CG1-CZ3 4.1Å; I55-W58 WeakPolarHBondContact O-CB 3.24Å; I55-W58 PolarHBondContact O-N 2.84Å; I55-C59 PolarHBondContact O-N 3.13Å; I55-C59 PolarHBondContact O-SG 2.7Å; I55-L82 HydrophobicContact CG2-CD2 4.07Å
56A89.7Confident85.4Confident85 Ų8550.1 Ų50.170%0.70231%0.305SS*.Hα-helixtrans-57.6-35.8176.200000112.2P54 C59 N60P54-A56 VanDerWaalsContact C-N 3.32Å; P54-A56 PolarHBondContact O-N 3.26Å; A56-C59 PolarHBondContact O-N 3.11Å; A56-N60 PolarHBondContact O-N 2.84Å; A56-N60 VanDerWaalsContact O-N 3.15Å
57R89.6Confident83.6Confident44 Ų4446.6 Ų46.617%0.16628%0.281CS..Hα-helixtrans-71-31.9176.2-165.7-176-171.9127.316.5112.2P54 I55 N60 V61 D67 Y99P54-R57 HydrophobicContact CB-CB 4.29Å; P54-R57 VanDerWaalsContact O-CB 3.25Å; P54-R57 WeakPolarHBondContact O-CB 3.29Å; P54-R57 PolarHBondContact O-N 2.71Å; I55-R57 PolarHBondContact O-N 2.85Å; R57-N60 CarbonylContact O-C 3.5Å; R57-N60 VanDerWaalsContact O-C 3.26Å; R57-V61 WeakPolarHBondContact O-CA 3.34Å; R57-V61 PolarHBondContact O-N 3.29Å; R57-D67 IonicContact CZ-OD1 3.9Å; R57-D67 IonicContact NH1-OD1 2.63Å; R57-D67 PolarHBondContact NH1-OD1 3.25Å; R57-Y99 HydrophobicContact CG-CE1 4.29Å; R57-Y99 WeakPolarHBondContact CG-OH 3.49Å; R57-Y99 PolarHBondContact NE-OH 2.77Å
58W93.4Very high81.4Confident8 Ų853 Ų533%0.0331%0.307CS..Hα-helixtrans-75.9-32.5176.3-53.7-19.9000112.1E53 P54 I55 N60 V81 L82 F96 Y99 A100 S103E53-W58 VanDerWaalsContact CD-CH2 3.42Å; E53-W58 HydrophobicContact CG-CH2 3.3Å; E53-W58 HydrophobicContact CG-CZ2 4.05Å; E53-W58 HydrophobicContact CG-CZ3 3.63Å; E53-W58 VanDerWaalsContact OE1-CH2 3.3Å; E53-W58 WeakPolarHBondContact OE1-CH2 3.49Å; P54-W58 HydrophobicContact CG-CZ2 3.73Å; P54-W58 PolarHBondContact O-N 3.26Å; I55-W58 HydrophobicContact CB-CE3 4.39Å; I55-W58 HydrophobicContact CG1-CE3 4.12Å; I55-W58 HydrophobicContact CG1-CZ3 4.1Å; I55-W58 WeakPolarHBondContact O-CB 3.24Å; I55-W58 PolarHBondContact O-N 2.84Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-V81 HydrophobicContact CB-CG1 4.28Å; W58-V81 VanDerWaalsContact O-CG1 3.3Å; W58-V81 WeakPolarHBondContact O-CG1 3.46Å; W58-V81 PolarHBondContact O-N 2.74Å; W58-L82 HydrophobicContact CB-CB 4.26Å; W58-L82 PolarHBondContact O-N 3.15Å; W58-F96 HydrophobicContact CB-CE2 4.16Å; W58-F96 HydrophobicContact CD2-CE2 4.09Å; W58-F96 HydrophobicContact CD2-CZ 4.29Å; W58-F96 AromaticContact CE3-CE2 3.98Å; W58-F96 HydrophobicContact CE3-CE2 3.98Å; W58-F96 AromaticContact CE3-CZ 3.84Å; W58-F96 HydrophobicContact CE3-CZ 3.84Å; W58-F96 HydrophobicContact CG-CE2 4.19Å; W58-F96 HydrophobicContact CZ3-CZ 4.1Å; W58-Y99 AromaticContact CD1-CD1 3.86Å; W58-Y99 AromaticContact CD1-CE1 3.92Å; W58-A100 HydrophobicContact CH2-CB 4.06Å; W58-A100 HydrophobicContact CZ2-CB 3.59Å; W58-S103 PolarHBondContact NE1-OG 3.44Å
59C91.1Very high79.2Confident35 Ų3557.8 Ų57.824%0.23633%0.331CS..Hα-helixtrans-74.8-19.8174.2-66.90000113.1I55 A56 N80 E196I55-C59 PolarHBondContact O-N 3.13Å; I55-C59 PolarHBondContact O-SG 2.7Å; A56-C59 PolarHBondContact O-N 3.11Å; C59-N80 WeakPolarHBondContact CA-OD1 3.42Å; C59-N80 WeakPolarHBondContact O-CA 3.39Å; C59-N80 VanDerWaalsContact O-CB 3.26Å; C59-N80 WeakPolarHBondContact O-CB 3.48Å; C59-E196 PolarHBondContact SG-OE1 2.79Å; C59-E196 VanDerWaalsContact SG-OE1 3.35Å
60N90.1Very high76.9Confident38 Ų3865.6 Ų65.620%0.20337%0.368CS..SBendtrans-146.984.8-179.9-176.514.9000110.5A56 R57 W58 Q62A56-N60 PolarHBondContact O-N 2.84Å; A56-N60 VanDerWaalsContact O-N 3.15Å; R57-N60 CarbonylContact O-C 3.5Å; R57-N60 VanDerWaalsContact O-C 3.26Å; W58-N60 VanDerWaalsContact C-N 3.3Å; N60-Q62 PolarHBondContact ND2-NE2 2.88Å; N60-Q62 PolarHBondContact O-N 2.91Å
61V87.2Confident74.7Confident44 Ų4466.7 Ų66.727%0.26737%0.373SS..  trans-64.8130.8-174.6175.80000111.1R57 G78 G79 V81 Y99R57-V61 WeakPolarHBondContact O-CA 3.34Å; R57-V61 PolarHBondContact O-N 3.29Å; V61-G78 WeakPolarHBondContact O-CA 3.44Å; V61-G78 PolarHBondContact O-N 3.31Å; V61-G79 WeakPolarHBondContact CG2-O 3.2Å; V61-G79 PolarHBondContact N-O 3.05Å; V61-G79 VanDerWaalsContact N-O 3.16Å; V61-V81 HydrophobicContact CG2-CB 3.93Å; V61-V81 HydrophobicContact CG2-CG1 3.6Å; V61-Y99 HydrophobicContact CG1-CE1 4.43Å; V61-Y99 HydrophobicContact CG2-CE1 4.04Å
62Q80.3Confident72.5Confident37 Ų3770.2 Ų70.217%0.17339%0.394CS..  trans-138.2153.1-179.2-69.5165.828.800112.4N60 L71N60-Q62 PolarHBondContact ND2-NE2 2.88Å; N60-Q62 PolarHBondContact O-N 2.91Å; Q62-L71 VanDerWaalsContact OE1-CD1 3.32Å
63T73.4Confident70.5Confident139 Ų13973.4 Ų73.485%0.85341%0.413SS*.SBendtrans-92.8-19-178.854.70000113.5
64T61.7Low68.6Low90 Ų9077.6 Ų77.655%0.55244%0.444SS*.SBendtrans-96.4159.4-176.649.40000113.4
65S54.3Low66.7Low105 Ų10580.9 Ų80.973%0.73446%0.458SS*.SBendtrans-91.98.8-156.9400000117.5D67S65-D67 PolarHBondContact O-N 2.87Å
66S53.3Low64.9Low44 Ų4488.9 Ų88.931%0.30849%0.487SS..  trans-8896.9172.462.50000110.3F68 E69S66-F68 PolarHBondContact O-N 3.29Å; S66-F68 VanDerWaalsContact O-N 3.09Å; S66-E69 WeakPolarHBondContact CB-OE2 3.5Å; S66-E69 PolarHBondContact OG-OE2 2.87Å
67D51Low63.5Low61 Ų6189.6 Ų89.633%0.32649%0.486SS..THydrogen-bonded Turntrans-68.2-4.1-175.8-54.9-47.4000114.2R57 S65 K110R57-D67 IonicContact CZ-OD1 3.9Å; R57-D67 IonicContact NH1-OD1 2.63Å; R57-D67 PolarHBondContact NH1-OD1 3.25Å; S65-D67 PolarHBondContact O-N 2.87Å; D67-K110 IonicContact OD2-NZ 2.72Å; D67-K110 PolarHBondContact OD2-NZ 2.78Å
68F48Very low62.4Low166 Ų16689 Ų8973%0.72849%0.494SS*.THydrogen-bonded Turntrans-142.48-166.7-71.3-79.5000116.4S66S66-F68 PolarHBondContact O-N 3.29Å; S66-F68 VanDerWaalsContact O-N 3.09Å
69E47.6Very low62.1Low132 Ų13290.7 Ų90.762%0.61751%0.514SS*.PPolyproline II helixtrans-91.1123179.1-76.3175.2156.800111.8S66 L71S66-E69 WeakPolarHBondContact CB-OE2 3.5Å; S66-E69 PolarHBondContact OG-OE2 2.87Å; E69-L71 PolarHBondContact O-N 2.97Å
70E45.4Very low62.3Low204 Ų20490.6 Ų90.695%0.95351%0.511SS*.PPolyproline II helixtrans-62.1117.6161.8-85.5-174160.300108.7
71L47.6Very low62.5Low40 Ų4089.2 Ų89.221%0.20950%0.504CS..PPolyproline II helixtrans-89.8147.3-175.1-67.1170.4000112.4Q62 E69 Q75Q62-L71 VanDerWaalsContact OE1-CD1 3.32Å; E69-L71 PolarHBondContact O-N 2.97Å; L71-Q75 HydrophobicContact CB-CB 3.96Å; L71-Q75 HydrophobicContact CD1-CB 3.91Å; L71-Q75 HydrophobicContact CD2-CB 3.94Å; L71-Q75 HydrophobicContact CD2-CG 4.27Å; L71-Q75 HydrophobicContact CG-CB 4.17Å
72T49.5Very low62.9Low85 Ų8587.4 Ų87.452%0.52149%0.493SS..PPolyproline II helixtrans-68157167.662.40000110.9S74 Q75T72-S74 PolarHBondContact O-N 2.96Å; T72-S74 PolarHBondContact OG1-OG 2.78Å; T72-Q75 PolarHBondContact O-N 3.38Å; T72-Q75 PolarHBondContact OG1-OE1 2.69Å
73T50.8Low63.7Low123 Ų12388.6 Ų88.676%0.75550%0.497SS*.THydrogen-bonded Turntrans-54.1-19.7-175.718.50000115.1
74S53.3Low64.8Low107 Ų10784.3 Ų84.375%0.74847%0.468SS*.THydrogen-bonded Turntrans-84.9-7.7179.452.50000115T72T72-S74 PolarHBondContact O-N 2.96Å; T72-S74 PolarHBondContact OG1-OG 2.78Å
75Q52.3Low66.5Low96 Ų9680.2 Ų80.245%0.44944%0.443SS..  trans-107.23.4-178.7-68.1168.3-56.800113.6L71 T72 S77L71-Q75 HydrophobicContact CB-CB 3.96Å; L71-Q75 HydrophobicContact CD1-CB 3.91Å; L71-Q75 HydrophobicContact CD2-CB 3.94Å; L71-Q75 HydrophobicContact CD2-CG 4.27Å; L71-Q75 HydrophobicContact CG-CB 4.17Å; T72-Q75 PolarHBondContact O-N 3.38Å; T72-Q75 PolarHBondContact OG1-OE1 2.69Å; Q75-S77 PolarHBondContact O-N 2.91Å; Q75-S77 VanDerWaalsContact O-N 3.11Å
76R53.2Low68.5Low184 Ų18478 Ų7869%0.69442%0.419SS*.  trans-72.897.7172-68.2-174.2-177.7-174.7-0.4109.6
77S59.6Low70.5Confident99 Ų9982.2 Ų82.269%0.69243%0.434SS*.  trans-119.6-6.7-17864.60000115.3Q75Q75-S77 PolarHBondContact O-N 2.91Å; Q75-S77 VanDerWaalsContact O-N 3.11Å
78G67.5Low72.7Confident32 Ų3284.2 Ų84.233%0.3344%0.44SS..SBendtrans-121.2160.9179.600000115.2V61V61-G78 WeakPolarHBondContact O-CA 3.44Å; V61-G78 PolarHBondContact O-N 3.31Å
79G87.4Confident75Confident43 Ų4378 Ų7844%0.44342%0.416SS..  trans-73.9167.6176.500000113.2V61 V81V61-G79 WeakPolarHBondContact CG2-O 3.2Å; V61-G79 PolarHBondContact N-O 3.05Å; V61-G79 VanDerWaalsContact N-O 3.16Å; G79-V81 PolarHBondContact O-N 2.89Å
80N93.9Very high77.4Confident34 Ų3476.7 Ų76.718%0.18241%0.41CS..  trans-90.792.2173.3-175.6-26.1000109C59 L82 K83 M84 E196C59-N80 WeakPolarHBondContact CA-OD1 3.42Å; C59-N80 WeakPolarHBondContact O-CA 3.39Å; C59-N80 VanDerWaalsContact O-CB 3.26Å; C59-N80 WeakPolarHBondContact O-CB 3.48Å; N80-L82 PolarHBondContact O-N 3.01Å; N80-L82 PolarHBondContact OD1-N 3.26Å; N80-K83 HydrophobicContact CB-CB 3.9Å; N80-K83 VanDerWaalsContact CG-CB 3.42Å; N80-K83 PolarHBondContact O-N 3.35Å; N80-K83 WeakPolarHBondContact OD1-CB 3.35Å; N80-K83 PolarHBondContact OD1-N 3.07Å; N80-M84 WeakPolarHBondContact O-CG 3.35Å; N80-M84 PolarHBondContact O-N 3.08Å; N80-E196 PolarHBondContact ND2-OE1 3.04Å
81V95.8Very high79.9Confident9 Ų972.8 Ų72.86%0.05539%0.386CS..Hα-helixtrans-69.4-24.9-175.367.50000112.2W58 V61 G79 M85 T95 F96 Y99W58-V81 HydrophobicContact CB-CG1 4.28Å; W58-V81 VanDerWaalsContact O-CG1 3.3Å; W58-V81 WeakPolarHBondContact O-CG1 3.46Å; W58-V81 PolarHBondContact O-N 2.74Å; V61-V81 HydrophobicContact CG2-CB 3.93Å; V61-V81 HydrophobicContact CG2-CG1 3.6Å; G79-V81 PolarHBondContact O-N 2.89Å; V81-M85 WeakPolarHBondContact O-CB 3.4Å; V81-M85 PolarHBondContact O-N 3.13Å; V81-T95 HydrophobicContact CG2-CG2 4.32Å; V81-F96 HydrophobicContact CG1-CD2 4.09Å; V81-F96 HydrophobicContact CG2-CB 4.18Å; V81-F96 HydrophobicContact CG2-CD2 4.32Å; V81-Y99 HydrophobicContact CG1-CD1 4.08Å
82L95.8Very high82.3Confident6 Ų674 Ų743%0.03139%0.388CS..Hα-helixtrans-65.2-49.2172.1-178.465.3000111I55 W58 N80 M84 M85 Y86 F96 E196I55-L82 HydrophobicContact CG2-CD2 4.07Å; W58-L82 HydrophobicContact CB-CB 4.26Å; W58-L82 PolarHBondContact O-N 3.15Å; N80-L82 PolarHBondContact O-N 3.01Å; N80-L82 PolarHBondContact OD1-N 3.26Å; L82-M84 VanDerWaalsContact C-N 3.35Å; L82-M84 PolarHBondContact O-N 3.06Å; L82-M85 HydrophobicContact CD1-CE 4.02Å; L82-M85 WeakPolarHBondContact O-CB 3.41Å; L82-M85 PolarHBondContact O-N 3.16Å; L82-Y86 HydrophobicContact CD1-CD2 4.1Å; L82-Y86 HydrophobicContact CD1-CE2 3.51Å; L82-Y86 HydrophobicContact CD2-CE2 4.49Å; L82-Y86 HydrophobicContact CG-CD2 4.12Å; L82-Y86 HydrophobicContact CG-CE2 3.85Å; L82-Y86 WeakPolarHBondContact O-CD2 3.4Å; L82-Y86 PolarHBondContact O-N 3.34Å; L82-Y86 VanDerWaalsContact O-N 3.13Å; L82-F96 HydrophobicContact CB-CE2 4.07Å; L82-F96 HydrophobicContact CD1-CD2 4.49Å; L82-F96 HydrophobicContact CD1-CE1 4.46Å; L82-F96 HydrophobicContact CD1-CE2 3.58Å; L82-F96 HydrophobicContact CD1-CZ 3.56Å; L82-F96 HydrophobicContact CG-CE2 4.46Å; L82-E196 HydrophobicContact CD2-CB 4.4Å; L82-E196 HydrophobicContact CG-CB 4.4Å
83K95.5Very high84.7Confident61 Ų6169.9 Ų69.927%0.26536%0.363SS..Hα-helixtrans-59.1-46.4174.9-174.7166.2177.1166.10111.3N80 M85 Y86 E87 E195 E196N80-K83 HydrophobicContact CB-CB 3.9Å; N80-K83 VanDerWaalsContact CG-CB 3.42Å; N80-K83 PolarHBondContact O-N 3.35Å; N80-K83 WeakPolarHBondContact OD1-CB 3.35Å; N80-K83 PolarHBondContact OD1-N 3.07Å; K83-M85 VanDerWaalsContact C-N 3.26Å; K83-M85 PolarHBondContact O-N 3.2Å; K83-Y86 PolarHBondContact O-N 2.84Å; K83-Y86 VanDerWaalsContact O-N 3.16Å; K83-E87 WeakPolarHBondContact CE-OE1 3.39Å; K83-E87 HydrophobicContact CG-CG 4.17Å; K83-E87 IonicContact NZ-OE1 3.93Å; K83-E87 WeakPolarHBondContact O-CB 3.21Å; K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 2.92Å; K83-E195 IonicContact NZ-OE1 2.75Å; K83-E195 PolarHBondContact NZ-OE1 2.98Å; K83-E196 HydrophobicContact CB-CB 4.35Å; K83-E196 HydrophobicContact CB-CG 3.7Å; K83-E196 HydrophobicContact CD-CG 4.49Å; K83-E196 HydrophobicContact CG-CG 4.29Å
84M96.8Very high87Confident49 Ų4967 Ų6724%0.24134%0.339CS..Hα-helixtrans-59.6-37178.6-66.6162.868.700112.2N80 L82 K88 W92N80-M84 WeakPolarHBondContact O-CG 3.35Å; N80-M84 PolarHBondContact O-N 3.08Å; L82-M84 VanDerWaalsContact C-N 3.35Å; L82-M84 PolarHBondContact O-N 3.06Å; M84-K88 PolarHBondContact O-N 3.38Å; M84-W92 HydrophobicContact CB-CB 4.34Å; M84-W92 HydrophobicContact CB-CD2 4.11Å; M84-W92 HydrophobicContact CB-CG 3.85Å; M84-W92 HydrophobicContact CE-CD2 3.64Å; M84-W92 HydrophobicContact CE-CE3 3.71Å; M84-W92 HydrophobicContact CE-CH2 3.2Å; M84-W92 HydrophobicContact CE-CZ2 3.09Å; M84-W92 HydrophobicContact CE-CZ3 3.5Å
85M97.4Very high89.1Confident4 Ų464.4 Ų64.42%0.0232%0.319CS..Hα-helixtrans-65.5-45.5174.7-175.4-83.5-61.500112.3V81 L82 K83 P89 W92 F96V81-M85 WeakPolarHBondContact O-CB 3.4Å; V81-M85 PolarHBondContact O-N 3.13Å; L82-M85 HydrophobicContact CD1-CE 4.02Å; L82-M85 WeakPolarHBondContact O-CB 3.41Å; L82-M85 PolarHBondContact O-N 3.16Å; K83-M85 VanDerWaalsContact C-N 3.26Å; K83-M85 PolarHBondContact O-N 3.2Å; M85-P89 WeakPolarHBondContact O-CA 3.33Å; M85-P89 WeakPolarHBondContact O-CB 3.45Å; M85-P89 WeakPolarHBondContact O-CD 3.38Å; M85-P89 VanDerWaalsContact O-N 3.11Å; M85-W92 HydrophobicContact CB-CB 4.43Å; M85-F96 HydrophobicContact CB-CB 3.79Å; M85-F96 HydrophobicContact CB-CD1 4.33Å; M85-F96 HydrophobicContact CB-CD2 4.3Å; M85-F96 HydrophobicContact CB-CG 3.87Å; M85-F96 HydrophobicContact CE-CD1 4Å; M85-F96 HydrophobicContact CE-CE1 3.92Å; M85-F96 HydrophobicContact CE-CZ 4.38Å; M85-F96 HydrophobicContact CG-CB 3.82Å; M85-F96 HydrophobicContact CG-CD1 3.87Å; M85-F96 HydrophobicContact CG-CG 3.88Å
86Y95.8Very high91.3Very high60 Ų6060.5 Ų60.524%0.23530%0.3CS..Hα-helixtrans-71-33.4177.9-71.5-56.7000113.4L82 K83 E196 E197 I200 Y204L82-Y86 HydrophobicContact CD1-CD2 4.1Å; L82-Y86 HydrophobicContact CD1-CE2 3.51Å; L82-Y86 HydrophobicContact CD2-CE2 4.49Å; L82-Y86 HydrophobicContact CG-CD2 4.12Å; L82-Y86 HydrophobicContact CG-CE2 3.85Å; L82-Y86 WeakPolarHBondContact O-CD2 3.4Å; L82-Y86 PolarHBondContact O-N 3.34Å; L82-Y86 VanDerWaalsContact O-N 3.13Å; K83-Y86 PolarHBondContact O-N 2.84Å; K83-Y86 VanDerWaalsContact O-N 3.16Å; Y86-E196 HydrophobicContact CD2-CB 4.3Å; Y86-E196 WeakPolarHBondContact CD2-O 3.42Å; Y86-E197 HydrophobicContact CE2-CG 4.07Å; Y86-I200 HydrophobicContact CD1-CD1 4.11Å; Y86-I200 HydrophobicContact CD1-CG1 4.05Å; Y86-I200 HydrophobicContact CE1-CD1 3.46Å; Y86-I200 VanDerWaalsContact CE1-CD1 3.46Å; Y86-I200 HydrophobicContact CE1-CG1 3.84Å; Y86-I200 HydrophobicContact CE2-CD1 3.99Å; Y86-I200 WeakPolarHBondContact OH-CD1 3.4Å; Y86-Y204 HydrophobicContact CE1-CE1 4.41Å
87E95.6Very high93.5Very high132 Ų13251.9 Ų51.962%0.61727%0.268SS*.Hα-helixtrans-74.1-36.1178.6-73.9179.616500113.4K83K83-E87 WeakPolarHBondContact CE-OE1 3.39Å; K83-E87 HydrophobicContact CG-CG 4.17Å; K83-E87 IonicContact NZ-OE1 3.93Å; K83-E87 WeakPolarHBondContact O-CB 3.21Å; K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 2.92Å
88K97.1Very high95.3Very high103 Ų10347.7 Ų47.745%0.44824%0.239SC..  trans-146.771.7-177.7-162.3177.1-175.1172.60111.6M84 E90 R91 W92M84-K88 PolarHBondContact O-N 3.38Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 WeakPolarHBondContact CE-OE1 3.38Å; K88-E90 VanDerWaalsContact CG-CD 3.43Å; K88-E90 HydrophobicContact CG-CG 4.47Å; K88-E90 WeakPolarHBondContact CG-OE1 3.28Å; K88-E90 WeakPolarHBondContact CG-OE2 3.29Å; K88-E90 PolarHBondContact O-N 3.22Å; K88-R91 HydrophobicContact CB-CB 4.43Å; K88-R91 HydrophobicContact CD-CB 3.8Å; K88-R91 HydrophobicContact CG-CB 3.86Å; K88-R91 PolarHBondContact O-N 3.43Å; K88-W92 PolarHBondContact O-N 3.48Å; K88-W92 VanDerWaalsContact O-N 3.08Å
89P97.4Very high96.7Very high36 Ų3648.4 Ų48.423%0.23423%0.231CC..Hα-helixtrans-61.7-36.2-171.525-34.6000112.6M85 R91 W92 A93 L141 C146M85-P89 WeakPolarHBondContact O-CA 3.33Å; M85-P89 WeakPolarHBondContact O-CB 3.45Å; M85-P89 WeakPolarHBondContact O-CD 3.38Å; M85-P89 VanDerWaalsContact O-N 3.11Å; P89-R91 PolarHBondContact O-N 2.83Å; P89-R91 VanDerWaalsContact O-N 3.09Å; P89-W92 PolarHBondContact O-N 3.03Å; P89-A93 WeakPolarHBondContact O-CB 3.39Å; P89-A93 PolarHBondContact O-N 3.17Å; P89-L141 HydrophobicContact CB-CD2 4.4Å; P89-C146 HydrophobicContact CB-CB 4.06Å
90E97.9Very high97.2Very high103 Ų10346.4 Ų46.448%0.48121%0.211SC..Hα-helixtrans-64-16.6177.877-76.9-174.400113.8K88K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 WeakPolarHBondContact CE-OE1 3.38Å; K88-E90 VanDerWaalsContact CG-CD 3.43Å; K88-E90 HydrophobicContact CG-CG 4.47Å; K88-E90 WeakPolarHBondContact CG-OE1 3.28Å; K88-E90 WeakPolarHBondContact CG-OE2 3.29Å; K88-E90 PolarHBondContact O-N 3.22Å
91R98.4Very high97.3Very high122 Ų12244.9 Ų44.946%0.4620%0.203SC..Hα-helixtrans-100.4-34.4174.2177.757.1-173.783.6-0.5112.5K88 P89K88-R91 HydrophobicContact CB-CB 4.43Å; K88-R91 HydrophobicContact CD-CB 3.8Å; K88-R91 HydrophobicContact CG-CB 3.86Å; K88-R91 PolarHBondContact O-N 3.43Å; P89-R91 PolarHBondContact O-N 2.83Å; P89-R91 VanDerWaalsContact O-N 3.09Å
92W98.4Very high97.3Very high65 Ų6547 Ų4725%0.24621%0.213CC..Hα-helixtrans-117-7.6-164.3-65.2112000114.6M84 M85 K88 P89 Y94 T95 F96M84-W92 HydrophobicContact CB-CB 4.34Å; M84-W92 HydrophobicContact CB-CD2 4.11Å; M84-W92 HydrophobicContact CB-CG 3.85Å; M84-W92 HydrophobicContact CE-CD2 3.64Å; M84-W92 HydrophobicContact CE-CE3 3.71Å; M84-W92 HydrophobicContact CE-CH2 3.2Å; M84-W92 HydrophobicContact CE-CZ2 3.09Å; M84-W92 HydrophobicContact CE-CZ3 3.5Å; M85-W92 HydrophobicContact CB-CB 4.43Å; K88-W92 PolarHBondContact O-N 3.48Å; K88-W92 VanDerWaalsContact O-N 3.08Å; P89-W92 PolarHBondContact O-N 3.03Å; W92-Y94 PolarHBondContact O-N 3.33Å; W92-T95 HydrophobicContact CE3-CG2 4.05Å; W92-T95 HydrophobicContact CZ3-CG2 4.23Å; W92-T95 PolarHBondContact O-N 2.9Å; W92-F96 VanDerWaalsContact O-CB 3.29Å; W92-F96 WeakPolarHBondContact O-CB 3.36Å; W92-F96 PolarHBondContact O-N 3.44Å
93A98.6Very high97.3Very high0 Ų046.9 Ų46.90%021%0.213CC..Hα-helixtrans-54.7-55177.800000111.9P89 T95 F96 Q97 L141 C146 M147P89-A93 WeakPolarHBondContact O-CB 3.39Å; P89-A93 PolarHBondContact O-N 3.17Å; A93-T95 VanDerWaalsContact C-N 3.34Å; A93-T95 PolarHBondContact O-N 3.03Å; A93-F96 PolarHBondContact O-N 3.08Å; A93-Q97 WeakPolarHBondContact O-CB 3.25Å; A93-Q97 VanDerWaalsContact O-CG 3.28Å; A93-Q97 WeakPolarHBondContact O-CG 3.37Å; A93-Q97 PolarHBondContact O-N 3.42Å; A93-L141 HydrophobicContact CB-CB 4.24Å; A93-L141 HydrophobicContact CB-CD1 3.98Å; A93-L141 HydrophobicContact CB-CD2 4.17Å; A93-L141 HydrophobicContact CB-CG 4.36Å; A93-C146 HydrophobicContact CB-CB 4.08Å; A93-C146 WeakPolarHBondContact CB-O 3.1Å; A93-M147 HydrophobicContact CB-CG 3.74Å; A93-M147 HydrophobicContact CB-SD 4.5Å
94Y98.7Very high97.3Very high63 Ų6344.3 Ų44.325%0.24720%0.202CC..Hα-helixtrans-58.1-45.2179.2170.9-102.4000112.6W92 S98 E151 I154W92-Y94 PolarHBondContact O-N 3.33Å; Y94-S98 VanDerWaalsContact O-CB 3.29Å; Y94-S98 WeakPolarHBondContact O-CB 3.46Å; Y94-S98 PolarHBondContact O-N 3.36Å; Y94-S98 PolarHBondContact O-OG 3.08Å; Y94-E151 HydrophobicContact CD2-CB 3.87Å; Y94-E151 HydrophobicContact CD2-CG 4.3Å; Y94-E151 WeakPolarHBondContact CD2-O 3.16Å; Y94-E151 HydrophobicContact CG-CB 4.01Å; Y94-E151 HydrophobicContact CG-CG 4.01Å; Y94-I154 HydrophobicContact CE2-CB 4.2Å; Y94-I154 HydrophobicContact CE2-CG2 4.04Å; Y94-I154 WeakPolarHBondContact OH-CG2 3.26Å
95T98.4Very high97.1Very high52 Ų5242.1 Ų42.132%0.31919%0.191SC..Hα-helixtrans-62.4-46.3179.3-57.70000111.2V81 W92 A93 Y99V81-T95 HydrophobicContact CG2-CG2 4.32Å; W92-T95 HydrophobicContact CE3-CG2 4.05Å; W92-T95 HydrophobicContact CZ3-CG2 4.23Å; W92-T95 PolarHBondContact O-N 2.9Å; A93-T95 VanDerWaalsContact C-N 3.34Å; A93-T95 PolarHBondContact O-N 3.03Å; T95-Y99 WeakPolarHBondContact O-CB 3.48Å; T95-Y99 PolarHBondContact O-N 3.28Å; T95-Y99 VanDerWaalsContact O-N 3.12Å
96F98.3Very high96.9Very high13 Ų1349.5 Ų49.56%0.05722%0.219CC..Hα-helixtrans-65.9-50.9179.9174.2-99000111.5W58 V81 L82 M85 W92 A93 S98 Y99 A100W58-F96 HydrophobicContact CB-CE2 4.16Å; W58-F96 HydrophobicContact CD2-CE2 4.09Å; W58-F96 HydrophobicContact CD2-CZ 4.29Å; W58-F96 AromaticContact CE3-CE2 3.98Å; W58-F96 HydrophobicContact CE3-CE2 3.98Å; W58-F96 AromaticContact CE3-CZ 3.84Å; W58-F96 HydrophobicContact CE3-CZ 3.84Å; W58-F96 HydrophobicContact CG-CE2 4.19Å; W58-F96 HydrophobicContact CZ3-CZ 4.1Å; V81-F96 HydrophobicContact CG1-CD2 4.09Å; V81-F96 HydrophobicContact CG2-CB 4.18Å; V81-F96 HydrophobicContact CG2-CD2 4.32Å; L82-F96 HydrophobicContact CB-CE2 4.07Å; L82-F96 HydrophobicContact CD1-CD2 4.49Å; L82-F96 HydrophobicContact CD1-CE1 4.46Å; L82-F96 HydrophobicContact CD1-CE2 3.58Å; L82-F96 HydrophobicContact CD1-CZ 3.56Å; L82-F96 HydrophobicContact CG-CE2 4.46Å; M85-F96 HydrophobicContact CB-CB 3.79Å; M85-F96 HydrophobicContact CB-CD1 4.33Å; M85-F96 HydrophobicContact CB-CD2 4.3Å; M85-F96 HydrophobicContact CB-CG 3.87Å; M85-F96 HydrophobicContact CE-CD1 4Å; M85-F96 HydrophobicContact CE-CE1 3.92Å; M85-F96 HydrophobicContact CE-CZ 4.38Å; M85-F96 HydrophobicContact CG-CB 3.82Å; M85-F96 HydrophobicContact CG-CD1 3.87Å; M85-F96 HydrophobicContact CG-CG 3.88Å; W92-F96 VanDerWaalsContact O-CB 3.29Å; W92-F96 WeakPolarHBondContact O-CB 3.36Å; W92-F96 PolarHBondContact O-N 3.44Å; A93-F96 PolarHBondContact O-N 3.08Å; F96-S98 VanDerWaalsContact C-N 3.32Å; F96-S98 PolarHBondContact O-N 3.2Å; F96-Y99 PolarHBondContact O-N 3.03Å; F96-Y99 VanDerWaalsContact O-N 3.17Å; F96-A100 HydrophobicContact CE1-CB 4.34Å; F96-A100 HydrophobicContact CZ-CB 4.32Å; F96-A100 VanDerWaalsContact O-CB 3.28Å; F96-A100 WeakPolarHBondContact O-CB 3.41Å; F96-A100 PolarHBondContact O-N 3.08Å
97Q98.6Very high96.7Very high3 Ų347.8 Ų47.81%0.01422%0.217CC..Hα-helixtrans-62-40.3-177.6-67.9-58.2-30.300111.7A93 C101 A138 L141 Y155A93-Q97 WeakPolarHBondContact O-CB 3.25Å; A93-Q97 VanDerWaalsContact O-CG 3.28Å; A93-Q97 WeakPolarHBondContact O-CG 3.37Å; A93-Q97 PolarHBondContact O-N 3.42Å; Q97-C101 WeakPolarHBondContact O-CB 3.42Å; Q97-C101 PolarHBondContact O-N 3.42Å; Q97-A138 HydrophobicContact CB-CB 4.2Å; Q97-A138 HydrophobicContact CG-CB 3.94Å; Q97-L141 HydrophobicContact CG-CD1 3.71Å; Q97-Y155 HydrophobicContact CB-CD2 4.12Å; Q97-Y155 HydrophobicContact CB-CE2 3.71Å
98S98.3Very high96.5Very high12 Ų1241.7 Ų41.78%0.08419%0.188CC..Hα-helixtrans-61.9-46.7174.8-58.80000111.6Y94 F96 I102Y94-S98 VanDerWaalsContact O-CB 3.29Å; Y94-S98 WeakPolarHBondContact O-CB 3.46Å; Y94-S98 PolarHBondContact O-N 3.36Å; Y94-S98 PolarHBondContact O-OG 3.08Å; F96-S98 VanDerWaalsContact C-N 3.32Å; F96-S98 PolarHBondContact O-N 3.2Å; S98-I102 WeakPolarHBondContact O-CB 3.22Å; S98-I102 WeakPolarHBondContact O-CD1 3.31Å; S98-I102 VanDerWaalsContact O-CG1 3.25Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 2.8Å
99Y97.1Very high96Very high46 Ų4638.7 Ų38.718%0.1818%0.177CC..Hα-helixtrans-69.1-39.7179.8-171.4-117000112.8R57 W58 V61 V81 T95 F96 I102 S103R57-Y99 HydrophobicContact CG-CE1 4.29Å; R57-Y99 WeakPolarHBondContact CG-OH 3.49Å; R57-Y99 PolarHBondContact NE-OH 2.77Å; W58-Y99 AromaticContact CD1-CD1 3.86Å; W58-Y99 AromaticContact CD1-CE1 3.92Å; V61-Y99 HydrophobicContact CG1-CE1 4.43Å; V61-Y99 HydrophobicContact CG2-CE1 4.04Å; V81-Y99 HydrophobicContact CG1-CD1 4.08Å; T95-Y99 WeakPolarHBondContact O-CB 3.48Å; T95-Y99 PolarHBondContact O-N 3.28Å; T95-Y99 VanDerWaalsContact O-N 3.12Å; F96-Y99 PolarHBondContact O-N 3.03Å; F96-Y99 VanDerWaalsContact O-N 3.17Å; Y99-I102 PolarHBondContact O-N 3.47Å; Y99-S103 VanDerWaalsContact O-CB 3.28Å; Y99-S103 WeakPolarHBondContact O-CB 3.19Å; Y99-S103 PolarHBondContact O-N 2.68Å; Y99-S103 PolarHBondContact O-OG 2.9Å
100A97.2Very high95.5Very high1 Ų142.3 Ų42.31%0.00819%0.189CC..Hα-helixtrans-58.8-51.717600000110.7W58 F96 I102 S103 R104W58-A100 HydrophobicContact CH2-CB 4.06Å; W58-A100 HydrophobicContact CZ2-CB 3.59Å; F96-A100 HydrophobicContact CE1-CB 4.34Å; F96-A100 HydrophobicContact CZ-CB 4.32Å; F96-A100 VanDerWaalsContact O-CB 3.28Å; F96-A100 WeakPolarHBondContact O-CB 3.41Å; F96-A100 PolarHBondContact O-N 3.08Å; A100-I102 PolarHBondContact O-N 3.28Å; A100-S103 PolarHBondContact O-N 3.08Å; A100-S103 PolarHBondContact O-OG 3.36Å; A100-R104 WeakPolarHBondContact O-CB 3.32Å; A100-R104 PolarHBondContact O-N 2.86Å
101C97Very high94.6Very high2 Ų238 Ų381%0.01417%0.17CC..Hα-helixtrans-60.4-48.7178-172.50000112.1Q97 S103 R104 V105 D133 Y155Q97-C101 WeakPolarHBondContact O-CB 3.42Å; Q97-C101 PolarHBondContact O-N 3.42Å; C101-S103 PolarHBondContact O-N 2.76Å; C101-R104 PolarHBondContact O-N 3.35Å; C101-V105 WeakPolarHBondContact O-CG2 3.35Å; C101-V105 PolarHBondContact O-N 2.79Å; C101-D133 WeakPolarHBondContact CA-OD2 3.29Å; C101-D133 HydrophobicContact CB-CB 4.49Å; C101-Y155 HydrophobicContact CB-CE2 4.49Å
102I95.5Very high93.3Very high54 Ų5432.9 Ų32.928%0.27715%0.154SC..Hα-helixtrans-61.4-46.8179.5-70.8166.2000111.2S98 Y99 A100 R104 V105 R106 L158 L162S98-I102 WeakPolarHBondContact O-CB 3.22Å; S98-I102 WeakPolarHBondContact O-CD1 3.31Å; S98-I102 VanDerWaalsContact O-CG1 3.25Å; S98-I102 WeakPolarHBondContact O-CG1 3.48Å; S98-I102 PolarHBondContact O-N 2.8Å; Y99-I102 PolarHBondContact O-N 3.47Å; A100-I102 PolarHBondContact O-N 3.28Å; I102-R104 VanDerWaalsContact C-N 3.32Å; I102-R104 PolarHBondContact O-N 3.26Å; I102-V105 PolarHBondContact O-N 2.91Å; I102-R106 VanDerWaalsContact O-CG 3.27Å; I102-R106 WeakPolarHBondContact O-CG 3.37Å; I102-R106 PolarHBondContact O-N 2.81Å; I102-R106 VanDerWaalsContact O-N 3.08Å; I102-L158 HydrophobicContact CD1-CD2 4.19Å; I102-L162 HydrophobicContact CG1-CD1 4.06Å
103S94.9Very high91.8Very high4 Ų434 Ų343%0.02817%0.165CC..Hα-helixtrans-66-35.6-17959.50000112.2W58 Y99 A100 C101 A107W58-S103 PolarHBondContact NE1-OG 3.44Å; Y99-S103 VanDerWaalsContact O-CB 3.28Å; Y99-S103 WeakPolarHBondContact O-CB 3.19Å; Y99-S103 PolarHBondContact O-N 2.68Å; Y99-S103 PolarHBondContact O-OG 2.9Å; A100-S103 PolarHBondContact O-N 3.08Å; A100-S103 PolarHBondContact O-OG 3.36Å; C101-S103 PolarHBondContact O-N 2.76Å; S103-A107 PolarHBondContact O-N 3.25Å; S103-A107 VanDerWaalsContact O-N 3.08Å
104R95.5Very high90.5Very high6 Ų635.4 Ų35.42%0.02318%0.179CC..Hα-helixtrans-63-52173.6-173.2-175.9-54.1-73.33.1111.9E53 A100 C101 I102 R106 A107 Q108 E127 S129 D133E53-R104 IonicContact OE1-CZ 2.89Å; E53-R104 IonicContact OE1-NH1 3.62Å; E53-R104 IonicContact OE1-NH2 2.68Å; E53-R104 PolarHBondContact OE1-NH2 2.78Å; A100-R104 WeakPolarHBondContact O-CB 3.32Å; A100-R104 PolarHBondContact O-N 2.86Å; C101-R104 PolarHBondContact O-N 3.35Å; I102-R104 VanDerWaalsContact C-N 3.32Å; I102-R104 PolarHBondContact O-N 3.26Å; R104-R106 VanDerWaalsContact C-N 3.27Å; R104-R106 PolarHBondContact O-N 2.98Å; R104-A107 PolarHBondContact O-N 2.71Å; R104-A107 VanDerWaalsContact O-N 3.1Å; R104-Q108 HydrophobicContact CG-CG 4.37Å; R104-Q108 WeakPolarHBondContact O-CG 3.2Å; R104-Q108 PolarHBondContact O-N 3.5Å; R104-E127 PolarHBondContact NH1-O 2.83Å; R104-S129 VanDerWaalsContact CD-C 3.49Å; R104-D133 WeakPolarHBondContact CD-OD2 3.42Å; R104-D133 IonicContact CZ-OD1 2.74Å; R104-D133 IonicContact CZ-OD2 3.81Å; R104-D133 VanDerWaalsContact NE-CG 3.3Å; R104-D133 IonicContact NE-OD1 3.69Å; R104-D133 PolarHBondContact NE-OD1 2.86Å; R104-D133 VanDerWaalsContact NE-OD1 3.16Å; R104-D133 IonicContact NE-OD2 3.74Å; R104-D133 PolarHBondContact NE-OD2 2.85Å; R104-D133 IonicContact NH2-OD1 3.57Å; R104-D133 PolarHBondContact NH2-OD1 2.78Å; R104-D133 IonicContact NH2-OD2 2.75Å
105V94.3Very high89.2Confident3 Ų341.5 Ų41.52%0.01821%0.207CC..Hα-helixtrans-56.5-43.7178.6170.80000110.7C101 I102 A107 Q108 I109 I130 F166 I170C101-V105 WeakPolarHBondContact O-CG2 3.35Å; C101-V105 PolarHBondContact O-N 2.79Å; I102-V105 PolarHBondContact O-N 2.91Å; V105-A107 PolarHBondContact O-N 2.94Å; V105-Q108 PolarHBondContact O-N 3.13Å; V105-I109 HydrophobicContact CG1-CD1 3.54Å; V105-I109 HydrophobicContact CG1-CG1 4.37Å; V105-I109 WeakPolarHBondContact O-CD1 3.38Å; V105-I109 VanDerWaalsContact O-CG1 3.27Å; V105-I109 WeakPolarHBondContact O-CG1 3.45Å; V105-I109 PolarHBondContact O-N 3.24Å; V105-I130 HydrophobicContact CG2-CD1 4.03Å; V105-F166 HydrophobicContact CG1-CB 4.3Å; V105-F166 HydrophobicContact CG1-CD2 3.85Å; V105-F166 HydrophobicContact CG1-CG 4.21Å; V105-I170 HydrophobicContact CG2-CD1 4.3Å
106R92.1Very high88.3Confident159 Ų15939.3 Ų39.360%0.619%0.193SC*.Hα-helixtrans-60.9-43.5176.9-69.8172102.41607.4112.6I102 R104 K110I102-R106 VanDerWaalsContact O-CG 3.27Å; I102-R106 WeakPolarHBondContact O-CG 3.37Å; I102-R106 PolarHBondContact O-N 2.81Å; I102-R106 VanDerWaalsContact O-N 3.08Å; R104-R106 VanDerWaalsContact C-N 3.27Å; R104-R106 PolarHBondContact O-N 2.98Å; R106-K110 WeakPolarHBondContact O-CB 3.36Å; R106-K110 PolarHBondContact O-N 2.98Å; R106-K110 VanDerWaalsContact O-N 3.15Å
107A91.3Very high87.2Confident24 Ų2446 Ų4620%0.19822%0.218CC..Hα-helixtrans-65.3-44.4178.800000111.9V51 S103 R104 V105 K110 S111V51-A107 HydrophobicContact CG1-CB 3.75Å; S103-A107 PolarHBondContact O-N 3.25Å; S103-A107 VanDerWaalsContact O-N 3.08Å; R104-A107 PolarHBondContact O-N 2.71Å; R104-A107 VanDerWaalsContact O-N 3.1Å; V105-A107 PolarHBondContact O-N 2.94Å; A107-K110 PolarHBondContact O-N 2.95Å; A107-S111 PolarHBondContact O-N 3.3Å; A107-S111 VanDerWaalsContact O-N 3.16Å
108Q90.9Very high86.3Confident4 Ų454.5 Ų54.52%0.01926%0.258CS..Hα-helixtrans-64.2-44.4-179.3-69.2176.5-25.700112.2V51 R104 V105 K110 A112 Y126 I170V51-Q108 HydrophobicContact CG1-CG 4.34Å; R104-Q108 HydrophobicContact CG-CG 4.37Å; R104-Q108 WeakPolarHBondContact O-CG 3.2Å; R104-Q108 PolarHBondContact O-N 3.5Å; V105-Q108 PolarHBondContact O-N 3.13Å; Q108-K110 PolarHBondContact O-N 3.26Å; Q108-A112 PolarHBondContact O-N 3.25Å; Q108-Y126 HydrophobicContact CB-CE1 3.94Å; Q108-Y126 HydrophobicContact CG-CD1 3.75Å; Q108-Y126 HydrophobicContact CG-CE1 3.69Å; Q108-Y126 HydrophobicContact CG-CG 4.16Å; Q108-I170 HydrophobicContact CB-CG2 4.13Å
109I87.7Confident85.7Confident40 Ų4054.3 Ų54.321%0.20526%0.257CS..Hα-helixtrans-65.1-39.3177.4-66.2165.4000111.6V105 N113 F166 I170V105-I109 HydrophobicContact CG1-CD1 3.54Å; V105-I109 HydrophobicContact CG1-CG1 4.37Å; V105-I109 WeakPolarHBondContact O-CD1 3.38Å; V105-I109 VanDerWaalsContact O-CG1 3.27Å; V105-I109 WeakPolarHBondContact O-CG1 3.45Å; V105-I109 PolarHBondContact O-N 3.24Å; I109-N113 PolarHBondContact O-ND2 2.92Å; I109-F166 HydrophobicContact CD1-CB 3.84Å; I109-F166 HydrophobicContact CD1-CD1 3.39Å; I109-F166 HydrophobicContact CD1-CD2 4.15Å; I109-F166 HydrophobicContact CD1-CE1 3.93Å; I109-F166 HydrophobicContact CD1-CG 3.51Å; I109-F166 HydrophobicContact CG1-CD1 4.49Å; I109-I170 HydrophobicContact CG1-CG2 4.36Å
110K86.2Confident85.2Confident112 Ų11259.1 Ų59.149%0.48728%0.281SS..Hα-helixtrans-64.7-44.1-178.9-173.3-175.7-175.5-176.60111.7D67 R106 A107 Q108 N113D67-K110 IonicContact OD2-NZ 2.72Å; D67-K110 PolarHBondContact OD2-NZ 2.78Å; R106-K110 WeakPolarHBondContact O-CB 3.36Å; R106-K110 PolarHBondContact O-N 2.98Å; R106-K110 VanDerWaalsContact O-N 3.15Å; A107-K110 PolarHBondContact O-N 2.95Å; Q108-K110 PolarHBondContact O-N 3.26Å; K110-N113 PolarHBondContact O-N 3.05Å
111S79.7Confident84.9Confident13 Ų1364.3 Ų64.39%0.09131%0.309CS..Hα-helixtrans-70.4-34.2-177.8172.80000112.9E49 V51 A107 N113 G114 L124E49-S111 VanDerWaalsContact CD-OG 3.27Å; E49-S111 PolarHBondContact OE1-OG 3.22Å; V51-S111 WeakPolarHBondContact CG2-OG 3.39Å; A107-S111 PolarHBondContact O-N 3.3Å; A107-S111 VanDerWaalsContact O-N 3.16Å; S111-N113 PolarHBondContact O-N 3.4Å; S111-G114 PolarHBondContact O-N 3.36Å; S111-L124 WeakPolarHBondContact OG-CD1 3.5Å
112A71.3Confident84.7Confident15 Ų1564.5 Ų64.512%0.12431%0.31CS..Hα-helixtrans-58.2-20.2174.700000114Q108 L124Q108-A112 PolarHBondContact O-N 3.25Å; A112-L124 HydrophobicContact CB-CD2 4.33Å
113N67.3Low84.7Confident89 Ų8962.4 Ų62.448%0.47630%0.3SS..THydrogen-bonded Turntrans-94.19.3177.8-70.5-63000113.9I109 K110 S111 R117I109-N113 PolarHBondContact O-ND2 2.92Å; K110-N113 PolarHBondContact O-N 3.05Å; S111-N113 PolarHBondContact O-N 3.4Å; N113-R117 PolarHBondContact O-NE 3.38Å
114G69.8Low84.7Confident29 Ų2962.2 Ų62.230%0.29930%0.298SS..SBendtrans-100.3-139.6-166.500000116.1S111 L116 R117S111-G114 PolarHBondContact O-N 3.36Å; G114-L116 PolarHBondContact O-N 3.29Å; G114-R117 WeakPolarHBondContact O-CG 3.48Å; G114-R117 PolarHBondContact O-N 2.99Å
115K71.9Confident84.8Confident190 Ų19061.9 Ų61.983%0.82630%0.297SS*.G310 helixtrans-64.4-21.7-166.8-65.6176.1179.8173.90113.8R117K115-R117 PolarHBondContact O-N 2.93Å; K115-R117 VanDerWaalsContact O-N 3.17Å
116L80.4Confident84.9Confident6 Ų661.8 Ų61.83%0.03130%0.297CS..G310 helixtrans-68.7-7.2-178.4-68.1-176.4000115.1I21 D47 E49 G114 E118 A119 P122 L124I21-L116 HydrophobicContact CG2-CD1 4.14Å; D47-L116 VanDerWaalsContact O-CD2 3.22Å; D47-L116 WeakPolarHBondContact O-CD2 3.25Å; E49-L116 HydrophobicContact CB-CD1 3.79Å; E49-L116 HydrophobicContact CB-CD2 3.94Å; E49-L116 HydrophobicContact CB-CG 3.83Å; G114-L116 PolarHBondContact O-N 3.29Å; L116-E118 PolarHBondContact O-N 2.93Å; L116-A119 HydrophobicContact CD2-CB 4.37Å; L116-A119 WeakPolarHBondContact O-CB 3.36Å; L116-A119 PolarHBondContact O-N 3.13Å; L116-P122 HydrophobicContact CB-CB 3.9Å; L116-P122 HydrophobicContact CD1-CB 4.26Å; L116-P122 HydrophobicContact CD2-CB 4.25Å; L116-P122 HydrophobicContact CG-CB 4.37Å; L116-L124 HydrophobicContact CD1-CB 4.01Å; L116-L124 HydrophobicContact CD1-CD1 4.1Å
117R74.5Confident85.2Confident153 Ų15354.6 Ų54.658%0.57727%0.27SS*.G310 helixtrans-60.1-29.7-179.9-73.8178.9172.2-159.8-5.6114E18 N113 G114 K115E18-R117 IonicContact OE1-NH2 2.76Å; N113-R117 PolarHBondContact O-NE 3.38Å; G114-R117 WeakPolarHBondContact O-CG 3.48Å; G114-R117 PolarHBondContact O-N 2.99Å; K115-R117 PolarHBondContact O-N 2.93Å; K115-R117 VanDerWaalsContact O-N 3.17Å
118E80.1Confident85.5Confident183 Ų18354.4 Ų54.486%0.85526%0.264SS*.G310 helixtrans-97.9-10.8-177.9-63.4-178.2-177.700113.3L116L116-E118 PolarHBondContact O-N 2.93Å
119A85.9Confident85.8Confident8 Ų854.2 Ų54.27%0.06626%0.263CS..  trans-63.3149.5-177.600000112.4K19 D47 L116 P122K19-A119 WeakPolarHBondContact CD-O 3.42Å; K19-A119 PolarHBondContact NZ-O 3.34Å; D47-A119 HydrophobicContact CB-CB 4Å; L116-A119 HydrophobicContact CD2-CB 4.37Å; L116-A119 WeakPolarHBondContact O-CB 3.36Å; L116-A119 PolarHBondContact O-N 3.13Å; A119-P122 HydrophobicContact CB-CB 4.03Å
120E86.5Confident86.2Confident147 Ų14752.3 Ų52.369%0.68725%0.253SS*.SBendtrans-73.5-50177.3-169.3172.2-179.100110.2D47D47-E120 PolarHBondContact OD2-N 3.42Å
121N89.6Confident86.8Confident110 Ų11047 Ų4759%0.58823%0.23SC*.SBendtrans-126.975.9179.8-61.3-61.5000110.5D47 V123D47-N121 PolarHBondContact OD2-N 3.11Å; N121-V123 PolarHBondContact O-N 2.93Å
122P93Very high87.7Confident5 Ų546.4 Ų46.43%0.03223%0.226CC..  trans-66.1122-17324.7-32.5000112.3K19 I21 T22 D47 L116 A119K19-P122 HydrophobicContact CB-CG 4.4Å; I21-P122 HydrophobicContact CG1-CB 4.17Å; I21-P122 HydrophobicContact CG1-CG 4.16Å; I21-P122 HydrophobicContact CG2-CB 4.49Å; T22-P122 PolarHBondContact N-O 2.88Å; D47-P122 WeakPolarHBondContact O-CA 3.45Å; L116-P122 HydrophobicContact CB-CB 3.9Å; L116-P122 HydrophobicContact CD1-CB 4.26Å; L116-P122 HydrophobicContact CD2-CB 4.25Å; L116-P122 HydrophobicContact CG-CB 4.37Å; A119-P122 HydrophobicContact CB-CB 4.03Å
123V94.9Very high89Confident10 Ų1045.9 Ų45.96%0.06122%0.221CC..EExtended strand (participates in β ladder)trans-118.3129.8172.8-172.60000109.7T22 I24 D47 W48 E49 N121 F125 L260T22-V123 CarbonylContact O-C 3.58Å; T22-V123 WeakPolarHBondContact O-CA 3.47Å; I24-V123 HydrophobicContact CG1-CG1 3.95Å; D47-V123 PolarHBondContact O-N 3.35Å; W48-V123 WeakPolarHBondContact CA-O 3.28Å; W48-V123 HydrophobicContact CG-CB 4.28Å; E49-V123 PolarHBondContact N-O 3.45Å; N121-V123 PolarHBondContact O-N 2.93Å; V123-F125 HydrophobicContact CB-CE2 4.14Å; V123-F125 HydrophobicContact CG1-CD2 4.11Å; V123-F125 HydrophobicContact CG1-CE1 4.14Å; V123-F125 HydrophobicContact CG1-CE2 3.57Å; V123-F125 HydrophobicContact CG1-CZ 3.61Å; V123-L260 HydrophobicContact CG1-CD2 3.96Å; V123-L260 HydrophobicContact CG2-CD1 4.39Å; V123-L260 HydrophobicContact CG2-CD2 4.41Å
124L95.3Very high90.5Very high0 Ų042.2 Ų42.20%020%0.2CC..EExtended strand (participates in β ladder)trans-115.1113.5178.3-17259.4000110I21 T22 R23 I24 E49 V51 S111 A112 L116 Y126I21-L124 HydrophobicContact CG2-CB 3.65Å; T22-L124 PolarHBondContact O-N 3.02Å; R23-L124 WeakPolarHBondContact CA-O 3.47Å; I24-L124 PolarHBondContact N-O 3.27Å; E49-L124 HydrophobicContact CB-CD1 3.78Å; E49-L124 HydrophobicContact CG-CD1 4.03Å; V51-L124 HydrophobicContact CG2-CD1 3.74Å; V51-L124 HydrophobicContact CG2-CD2 4.45Å; V51-L124 HydrophobicContact CG2-CG 4.2Å; S111-L124 WeakPolarHBondContact OG-CD1 3.5Å; A112-L124 HydrophobicContact CB-CD2 4.33Å; L116-L124 HydrophobicContact CD1-CB 4.01Å; L116-L124 HydrophobicContact CD1-CD1 4.1Å; L124-Y126 HydrophobicContact CD1-CE1 4.45Å; L124-Y126 HydrophobicContact CD2-CE1 3.47Å; L124-Y126 VanDerWaalsContact CD2-CE1 3.47Å; L124-Y126 WeakPolarHBondContact CD2-OH 3.31Å; L124-Y126 HydrophobicContact CG-CD1 4.19Å; L124-Y126 HydrophobicContact CG-CE1 3.5Å
125F97.2Very high91.8Very high0 Ų042 Ų420%019%0.191CC..EExtended strand (participates in β ladder)trans-93.9129.4178.2-64.9-83.7000111I24 I26 L41 W48 E49 V50 V51 V123 I176 V256 L260I24-F125 HydrophobicContact CB-CD1 3.69Å; I24-F125 HydrophobicContact CB-CE1 3.89Å; I24-F125 HydrophobicContact CG1-CD1 4.35Å; I24-F125 HydrophobicContact CG1-CE1 4.11Å; I24-F125 HydrophobicContact CG2-CD1 3.89Å; I24-F125 HydrophobicContact CG2-CE1 3.97Å; I24-F125 CarbonylContact O-C 3.56Å; I24-F125 VanDerWaalsContact O-CA 3.29Å; I24-F125 WeakPolarHBondContact O-CA 3.32Å; I26-F125 HydrophobicContact CD1-CB 4.39Å; I26-F125 HydrophobicContact CD1-CD1 4.15Å; I26-F125 HydrophobicContact CG1-CD1 4.34Å; L41-F125 HydrophobicContact CB-CE2 4.48Å; L41-F125 HydrophobicContact CD1-CD1 3.82Å; L41-F125 HydrophobicContact CD1-CD2 4.36Å; L41-F125 HydrophobicContact CD1-CE1 3.93Å; L41-F125 HydrophobicContact CD1-CE2 4.45Å; L41-F125 HydrophobicContact CD1-CG 4.04Å; L41-F125 HydrophobicContact CD1-CZ 4.23Å; L41-F125 HydrophobicContact CD2-CZ 4.23Å; W48-F125 HydrophobicContact CB-CD2 4.41Å; W48-F125 HydrophobicContact CB-CE2 3.98Å; W48-F125 AromaticContact CD2-CE2 3.7Å; W48-F125 HydrophobicContact CD2-CE2 3.7Å; W48-F125 HydrophobicContact CD2-CZ 4.21Å; W48-F125 AromaticContact CE3-CE2 3.76Å; W48-F125 HydrophobicContact CE3-CE2 3.76Å; W48-F125 HydrophobicContact CE3-CZ 4.15Å; W48-F125 AromaticContact CG-CE2 3.8Å; W48-F125 HydrophobicContact CG-CE2 3.8Å; W48-F125 HydrophobicContact CZ3-CE2 4.48Å; W48-F125 HydrophobicContact CZ3-CZ 4.44Å; E49-F125 PolarHBondContact O-N 3.28Å; V50-F125 CarbonylContact C-O 3.57Å; V50-F125 WeakPolarHBondContact CA-O 3.27Å; V50-F125 HydrophobicContact CG2-CB 4.23Å; V51-F125 PolarHBondContact N-O 2.95Å; V123-F125 HydrophobicContact CB-CE2 4.14Å; V123-F125 HydrophobicContact CG1-CD2 4.11Å; V123-F125 HydrophobicContact CG1-CE1 4.14Å; V123-F125 HydrophobicContact CG1-CE2 3.57Å; V123-F125 HydrophobicContact CG1-CZ 3.61Å; F125-I176 HydrophobicContact CD1-CD1 4.42Å; F125-I176 HydrophobicContact CE1-CD1 3.96Å; F125-V256 HydrophobicContact CE1-CG1 4.35Å; F125-V256 HydrophobicContact CZ-CG1 4.24Å; F125-L260 HydrophobicContact CZ-CD1 4.14Å
126Y97.3Very high93.1Very high1 Ų133 Ų330%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-104.6125.8174.7-56-40.1000110.6R23 I24 I26 V51 Q108 L124 R128 H169 L172R23-Y126 HydrophobicContact CB-CE2 3.91Å; R23-Y126 VanDerWaalsContact CD-OH 3.31Å; R23-Y126 WeakPolarHBondContact CD-OH 3.42Å; R23-Y126 HydrophobicContact CG-CE2 4.16Å; I24-Y126 PolarHBondContact O-N 3.27Å; I26-Y126 PolarHBondContact N-O 3.3Å; V51-Y126 HydrophobicContact CB-CD1 3.82Å; V51-Y126 HydrophobicContact CB-CE1 4.32Å; V51-Y126 HydrophobicContact CG2-CD1 3.69Å; V51-Y126 HydrophobicContact CG2-CE1 3.72Å; Q108-Y126 HydrophobicContact CB-CE1 3.94Å; Q108-Y126 HydrophobicContact CG-CD1 3.75Å; Q108-Y126 HydrophobicContact CG-CE1 3.69Å; Q108-Y126 HydrophobicContact CG-CG 4.16Å; L124-Y126 HydrophobicContact CD1-CE1 4.45Å; L124-Y126 HydrophobicContact CD2-CE1 3.47Å; L124-Y126 VanDerWaalsContact CD2-CE1 3.47Å; L124-Y126 WeakPolarHBondContact CD2-OH 3.31Å; L124-Y126 HydrophobicContact CG-CD1 4.19Å; L124-Y126 HydrophobicContact CG-CE1 3.5Å; Y126-R128 VanDerWaalsContact CB-O 3.29Å; Y126-R128 WeakPolarHBondContact CB-O 3.4Å; Y126-R128 PolarHBondContact O-N 3.38Å; Y126-H169 PolarHBondContact OH-O 2.96Å; Y126-L172 HydrophobicContact CD2-CD2 3.71Å; Y126-L172 HydrophobicContact CE2-CD2 4Å
127E97.6Very high94Very high8 Ų833.4 Ų33.44%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-7497.2166.2-173.3173-168.100108.9K34 S35 V38 V51 E53 R104K34-E127 HydrophobicContact CB-CG 4.02Å; K34-E127 HydrophobicContact CD-CG 4.43Å; S35-E127 WeakPolarHBondContact CA-OE1 3.5Å; S35-E127 WeakPolarHBondContact CB-OE1 3.49Å; S35-E127 PolarHBondContact N-OE1 3.37Å; S35-E127 VanDerWaalsContact N-OE1 3.11Å; S35-E127 PolarHBondContact OG-OE1 3.49Å; V38-E127 HydrophobicContact CG1-CB 4.35Å; V51-E127 PolarHBondContact O-N 3.43Å; E53-E127 HydrophobicContact CB-CB 4.32Å; E53-E127 HydrophobicContact CB-CG 4.06Å; E53-E127 PolarHBondContact N-OE2 3.08Å; R104-E127 PolarHBondContact NH1-O 2.83Å
128R98.2Very high95.1Very high19 Ų1926.1 Ų26.17%0.07213%0.126CC..SBendtrans66169.2-165.8-59.1-168.6178.8128.5-3.8115.3S25 I26 K34 E53 Y126 S132 F137S25-R128 PolarHBondContact OG-O 2.74Å; I26-R128 PolarHBondContact O-N 3.15Å; K34-R128 HydrophobicContact CD-CG 4.06Å; E53-R128 WeakPolarHBondContact OE1-CD 3.43Å; E53-R128 IonicContact OE1-CZ 3.69Å; E53-R128 IonicContact OE1-NE 2.77Å; E53-R128 IonicContact OE1-NH1 2.75Å; E53-R128 PolarHBondContact OE1-NH1 2.77Å; E53-R128 IonicContact OE2-CZ 3.65Å; E53-R128 IonicContact OE2-NH1 2.71Å; E53-R128 PolarHBondContact OE2-NH1 2.94Å; Y126-R128 VanDerWaalsContact CB-O 3.29Å; Y126-R128 WeakPolarHBondContact CB-O 3.4Å; Y126-R128 PolarHBondContact O-N 3.38Å; R128-S132 WeakPolarHBondContact CB-OG 3.38Å; R128-F137 VanDerWaalsContact NH2-CZ 3.33Å
129S97.8Very high96Very high1 Ų117.7 Ų17.71%0.0079%0.088CC..  trans-125.5164.9178.864.80000113.1S25 E27 R104 Y131 S132 D133S25-S129 WeakPolarHBondContact OG-CB 3.45Å; S25-S129 PolarHBondContact OG-N 2.91Å; E27-S129 VanDerWaalsContact OE1-CB 3.28Å; E27-S129 WeakPolarHBondContact OE1-CB 3.24Å; E27-S129 PolarHBondContact OE1-N 3.1Å; E27-S129 PolarHBondContact OE1-OG 3.07Å; R104-S129 VanDerWaalsContact CD-C 3.49Å; S129-Y131 PolarHBondContact O-N 3.12Å; S129-Y131 WeakPolarHBondContact OG-CB 3.45Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.29Å; S129-Y131 PolarHBondContact OG-N 3.42Å; S129-S132 PolarHBondContact N-OG 3.03Å; S129-S132 PolarHBondContact O-N 3.13Å; S129-S132 VanDerWaalsContact O-N 3.13Å; S129-S132 PolarHBondContact O-OG 3.18Å; S129-S132 PolarHBondContact OG-N 2.9Å; S129-D133 PolarHBondContact O-N 2.76Å
130I96.8Very high96.6Very high0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-54-26.9166.4167.6164.8000111.9V105 R134 H159 L162 I170V105-I130 HydrophobicContact CG2-CD1 4.03Å; I130-R134 PolarHBondContact O-N 3.47Å; I130-H159 WeakPolarHBondContact CG1-NE2 3.38Å; I130-H159 PolarHBondContact O-NE2 3.17Å; I130-L162 HydrophobicContact CD1-CB 4.46Å; I130-I170 HydrophobicContact CD1-CD1 4.07Å; I130-I170 HydrophobicContact CG2-CD1 3.9Å; I130-I170 HydrophobicContact CG2-CG1 4.35Å
131Y98.2Very high97.1Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-71-44.9177.2-48.5-68000111S129 D133 R134 Y135 H163 L172 F225 Y227 L228S129-Y131 PolarHBondContact O-N 3.12Å; S129-Y131 WeakPolarHBondContact OG-CB 3.45Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.29Å; S129-Y131 PolarHBondContact OG-N 3.42Å; Y131-D133 VanDerWaalsContact C-N 3.31Å; Y131-D133 PolarHBondContact O-N 3.05Å; Y131-R134 PolarHBondContact O-N 3.49Å; Y131-Y135 HydrophobicContact CD1-CE2 4.48Å; Y131-Y135 VanDerWaalsContact O-CD2 3.26Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.44Å; Y131-Y135 PolarHBondContact O-N 3.26Å; Y131-H163 AromaticContact CE1-CD2 3.63Å; Y131-H163 AromaticContact CE1-NE2 3.62Å; Y131-H163 AromaticContact CZ-CD2 3.91Å; Y131-H163 AromaticContact CZ-NE2 3.73Å; Y131-H163 PolarHBondContact OH-CD2 3.47Å; Y131-H163 PolarHBondContact OH-NE2 3.13Å; Y131-L172 HydrophobicContact CD2-CD1 3.77Å; Y131-L172 HydrophobicContact CD2-CG 4.32Å; Y131-L172 HydrophobicContact CE2-CD1 3.86Å; Y131-L172 HydrophobicContact CE2-CG 3.89Å; Y131-F225 AromaticContact CD1-CD2 3.87Å; Y131-F225 HydrophobicContact CD1-CD2 3.87Å; Y131-F225 HydrophobicContact CD1-CE2 4.24Å; Y131-F225 AromaticContact CE1-CD2 3.88Å; Y131-F225 HydrophobicContact CE1-CD2 3.88Å; Y131-F225 HydrophobicContact CE1-CE2 4.28Å; Y131-F225 HydrophobicContact CE1-CG 4.17Å; Y131-Y227 WeakPolarHBondContact CE2-OH 3.27Å; Y131-Y227 PolarHBondContact OH-OH 3.36Å; Y131-L228 HydrophobicContact CD1-CD1 3.49Å; Y131-L228 VanDerWaalsContact CD1-CD1 3.49Å; Y131-L228 HydrophobicContact CD1-CD2 4.13Å; Y131-L228 HydrophobicContact CD1-CG 4.32Å; Y131-L228 HydrophobicContact CD2-CD2 3.95Å; Y131-L228 HydrophobicContact CE1-CD1 3.99Å; Y131-L228 HydrophobicContact CE1-CD2 4.2Å; Y131-L228 HydrophobicContact CE1-CG 4.45Å; Y131-L228 HydrophobicContact CE2-CD2 4.09Å; Y131-L228 HydrophobicContact CG-CD1 3.83Å; Y131-L228 HydrophobicContact CG-CD2 4.01Å
132S98.2Very high97.6Very high0 Ų08.3 Ų8.30%04%0.037CC..Hα-helixtrans-63.3-36.5175.375.10000112.6E27 R128 S129 R134 I136 F137E27-S132 VanDerWaalsContact OE2-CB 3.27Å; E27-S132 WeakPolarHBondContact OE2-CB 3.37Å; E27-S132 PolarHBondContact OE2-OG 3.4Å; R128-S132 WeakPolarHBondContact CB-OG 3.38Å; S129-S132 PolarHBondContact N-OG 3.03Å; S129-S132 PolarHBondContact O-N 3.13Å; S129-S132 VanDerWaalsContact O-N 3.13Å; S129-S132 PolarHBondContact O-OG 3.18Å; S129-S132 PolarHBondContact OG-N 2.9Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 3.47Å; S132-I136 WeakPolarHBondContact O-CA 3.32Å; S132-I136 VanDerWaalsContact O-CB 3.22Å; S132-I136 WeakPolarHBondContact O-CB 3.46Å; S132-I136 PolarHBondContact O-N 3.31Å; S132-F137 WeakPolarHBondContact O-CD2 3.49Å; S132-F137 PolarHBondContact O-N 3.04Å; S132-F137 VanDerWaalsContact O-N 3.09Å
133D98.3Very high97.8Very high4 Ų414.1 Ų14.12%0.0216%0.064CC..Iπ-helixtrans-56.4-46.2175.6-68.6-23.5000110.4C101 R104 S129 Y131 A138 Y155C101-D133 WeakPolarHBondContact CA-OD2 3.29Å; C101-D133 HydrophobicContact CB-CB 4.49Å; R104-D133 WeakPolarHBondContact CD-OD2 3.42Å; R104-D133 IonicContact CZ-OD1 2.74Å; R104-D133 IonicContact CZ-OD2 3.81Å; R104-D133 VanDerWaalsContact NE-CG 3.3Å; R104-D133 IonicContact NE-OD1 3.69Å; R104-D133 PolarHBondContact NE-OD1 2.86Å; R104-D133 VanDerWaalsContact NE-OD1 3.16Å; R104-D133 IonicContact NE-OD2 3.74Å; R104-D133 PolarHBondContact NE-OD2 2.85Å; R104-D133 IonicContact NH2-OD1 3.57Å; R104-D133 PolarHBondContact NH2-OD1 2.78Å; R104-D133 IonicContact NH2-OD2 2.75Å; S129-D133 PolarHBondContact O-N 2.76Å; Y131-D133 VanDerWaalsContact C-N 3.31Å; Y131-D133 PolarHBondContact O-N 3.05Å; D133-A138 WeakPolarHBondContact O-CB 3.25Å; D133-A138 PolarHBondContact O-N 2.95Å; D133-Y155 VanDerWaalsContact C-OH 3.31Å; D133-Y155 PolarHBondContact O-OH 3.34Å
134R98.4Very high97.9Very high12 Ų1215.8 Ų15.85%0.0458%0.076CC..Iπ-helixtrans-78.6-56.8-179176.3168.3-179.9-168.6-3.7113.7I130 Y131 S132 G139 W152 Y155 H159 E224I130-R134 PolarHBondContact O-N 3.47Å; Y131-R134 PolarHBondContact O-N 3.49Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 3.47Å; R134-G139 PolarHBondContact O-N 2.89Å; R134-W152 HydrophobicContact CG-CH2 4.14Å; R134-Y155 HydrophobicContact CB-CE1 3.94Å; R134-Y155 HydrophobicContact CG-CE1 4.04Å; R134-Y155 PolarHBondContact N-OH 2.76Å; R134-H159 WeakPolarHBondContact CB-NE2 3.42Å; R134-H159 VanDerWaalsContact CD-CG 3.49Å; R134-H159 VanDerWaalsContact CD-ND1 3.31Å; R134-H159 WeakPolarHBondContact CD-ND1 3.27Å; R134-H159 PolarHBondContact NH1-ND1 2.58Å; R134-E224 IonicContact CZ-OE2 2.77Å; R134-E224 IonicContact NH1-OE2 3.72Å; R134-E224 PolarHBondContact NH1-OE2 2.94Å; R134-E224 IonicContact NH2-OE2 2.79Å; R134-E224 PolarHBondContact NH2-OE2 3.38Å
135Y98.4Very high98.1Very high26 Ų2624.2 Ų24.210%0.10212%0.115CC..Iπ-helixtrans-82.8-22.7-166.8-63.7-68.8000113.5Y131 M221 M223 E224 F225 L228Y131-Y135 HydrophobicContact CD1-CE2 4.48Å; Y131-Y135 VanDerWaalsContact O-CD2 3.26Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.44Å; Y131-Y135 PolarHBondContact O-N 3.26Å; Y135-M221 HydrophobicContact CG-SD 4.44Å; Y135-M223 HydrophobicContact CD1-CG 3.97Å; Y135-M223 HydrophobicContact CD2-CG 4.1Å; Y135-M223 HydrophobicContact CD2-SD 4.13Å; Y135-M223 HydrophobicContact CE1-CB 3.99Å; Y135-M223 HydrophobicContact CE1-CG 3.93Å; Y135-M223 HydrophobicContact CE2-CB 4.16Å; Y135-M223 HydrophobicContact CE2-CG 4.07Å; Y135-M223 HydrophobicContact CE2-SD 4.34Å; Y135-M223 HydrophobicContact CG-CG 4.06Å; Y135-M223 HydrophobicContact CG-SD 4.45Å; Y135-E224 WeakPolarHBondContact OH-CB 3.43Å; Y135-E224 PolarHBondContact OH-N 2.89Å; Y135-F225 AromaticContact CE2-CD2 3.78Å; Y135-F225 HydrophobicContact CE2-CD2 3.78Å; Y135-F225 AromaticContact CE2-CE2 3.88Å; Y135-F225 HydrophobicContact CE2-CE2 3.88Å; Y135-F225 AromaticContact CZ-CD2 3.93Å; Y135-F225 AromaticContact CZ-CE2 3.95Å; Y135-F225 WeakPolarHBondContact OH-CD2 3.41Å; Y135-F225 WeakPolarHBondContact OH-CE2 3.41Å; Y135-L228 HydrophobicContact CE2-CD1 4.48Å
136I98.6Very high98.1Very high0 Ų025.2 Ų25.20%012%0.122CC..Iπ-helixtrans-101.1-64.5179-50-59000110.4S132 N140 L208 K211 H212 W215 M221S132-I136 WeakPolarHBondContact O-CA 3.32Å; S132-I136 VanDerWaalsContact O-CB 3.22Å; S132-I136 WeakPolarHBondContact O-CB 3.46Å; S132-I136 PolarHBondContact O-N 3.31Å; I136-N140 WeakPolarHBondContact O-CB 3.4Å; I136-N140 PolarHBondContact O-N 2.95Å; I136-N140 VanDerWaalsContact O-N 3.17Å; I136-L208 HydrophobicContact CG2-CD2 4.03Å; I136-K211 HydrophobicContact CD1-CB 3.67Å; I136-K211 HydrophobicContact CG2-CB 4.25Å; I136-K211 WeakPolarHBondContact O-CD 3.28Å; I136-H212 VanDerWaalsContact CG2-CE1 3.46Å; I136-H212 WeakPolarHBondContact CG2-CE1 3.39Å; I136-W215 HydrophobicContact CD1-CB 4.38Å; I136-W215 HydrophobicContact CD1-CE3 3.81Å; I136-W215 HydrophobicContact CG1-CE3 3.88Å; I136-W215 HydrophobicContact CG1-CZ3 4.14Å; I136-M221 HydrophobicContact CD1-CE 4.05Å; I136-M221 HydrophobicContact CD1-SD 4.42Å
137F98.6Very high98.2Very high15 Ų1525.4 Ų25.47%0.06612%0.123CC..Iπ-helixtrans-79.5-57.3-169.4-65.9-79.5000112.9I30 R128 S132 N140 L141 L208I30-F137 HydrophobicContact CG1-CE1 4.34Å; R128-F137 VanDerWaalsContact NH2-CZ 3.33Å; S132-F137 WeakPolarHBondContact O-CD2 3.49Å; S132-F137 PolarHBondContact O-N 3.04Å; S132-F137 VanDerWaalsContact O-N 3.09Å; F137-N140 PolarHBondContact O-N 3.49Å; F137-L141 WeakPolarHBondContact O-CG 3.44Å; F137-L141 PolarHBondContact O-N 3.37Å; F137-L208 HydrophobicContact CD1-CD1 4.31Å; F137-L208 HydrophobicContact CD1-CD2 4.12Å; F137-L208 HydrophobicContact CE1-CD1 3.75Å; F137-L208 HydrophobicContact CE1-CD2 4.2Å
138A98.6Very high98.2Very high0 Ų029 Ų290%014%0.142CC..Iπ-helixtrans-64.5-43.1-179.800000111.3Q97 D133 N140 L141 Y142 M147 W152 Y155Q97-A138 HydrophobicContact CB-CB 4.2Å; Q97-A138 HydrophobicContact CG-CB 3.94Å; D133-A138 WeakPolarHBondContact O-CB 3.25Å; D133-A138 PolarHBondContact O-N 2.95Å; A138-N140 VanDerWaalsContact C-N 3.34Å; A138-N140 PolarHBondContact O-N 3.2Å; A138-L141 PolarHBondContact O-N 2.94Å; A138-L141 VanDerWaalsContact O-N 3.17Å; A138-Y142 PolarHBondContact O-N 3.43Å; A138-M147 HydrophobicContact CB-CE 3.87Å; A138-M147 WeakPolarHBondContact O-CE 3.44Å; A138-W152 HydrophobicContact CB-CZ3 3.85Å; A138-Y155 HydrophobicContact CB-CD1 3.95Å; A138-Y155 HydrophobicContact CB-CE1 3.37Å; A138-Y155 HydrophobicContact CB-CE2 4.28Å
139G98.4Very high98.2Very high6 Ų633.6 Ų33.66%0.06217%0.165CC..Hα-helixtrans-57.7-42.7174.300000113R134 Y142 E143R134-G139 PolarHBondContact O-N 2.89Å; G139-Y142 PolarHBondContact O-N 2.8Å; G139-E143 WeakPolarHBondContact O-CB 3.44Å; G139-E143 WeakPolarHBondContact O-CG 3.36Å; G139-E143 PolarHBondContact O-N 2.96Å
140N98.4Very high98.3Very high3 Ų338 Ų382%0.01619%0.192CC..Hα-helixtrans-64.1-40.7175.1-178.275.8000113I136 F137 A138 E143 S144 Y204 K207 L208 K211I136-N140 WeakPolarHBondContact O-CB 3.4Å; I136-N140 PolarHBondContact O-N 2.95Å; I136-N140 VanDerWaalsContact O-N 3.17Å; F137-N140 PolarHBondContact O-N 3.49Å; A138-N140 VanDerWaalsContact C-N 3.34Å; A138-N140 PolarHBondContact O-N 3.2Å; N140-E143 PolarHBondContact O-N 3.04Å; N140-S144 VanDerWaalsContact O-CB 3.28Å; N140-S144 WeakPolarHBondContact O-CB 3.18Å; N140-S144 PolarHBondContact O-N 3.32Å; N140-S144 PolarHBondContact O-OG 2.99Å; N140-Y204 VanDerWaalsContact ND2-CE2 3.26Å; N140-Y204 WeakPolarHBondContact ND2-CE2 3.29Å; N140-K207 WeakPolarHBondContact OD1-CB 3.33Å; N140-L208 HydrophobicContact CB-CD2 4.08Å; N140-K211 HydrophobicContact CB-CD 3.93Å
141L98.5Very high98.4Very high4 Ų439.9 Ų39.92%0.02120%0.201CC..Hα-helixtrans-67.7-37.2178.6-74.6163.7000111.8P89 A93 Q97 F137 A138 S144 E145 C146 M147P89-L141 HydrophobicContact CB-CD2 4.4Å; A93-L141 HydrophobicContact CB-CB 4.24Å; A93-L141 HydrophobicContact CB-CD1 3.98Å; A93-L141 HydrophobicContact CB-CD2 4.17Å; A93-L141 HydrophobicContact CB-CG 4.36Å; Q97-L141 HydrophobicContact CG-CD1 3.71Å; F137-L141 WeakPolarHBondContact O-CG 3.44Å; F137-L141 PolarHBondContact O-N 3.37Å; A138-L141 PolarHBondContact O-N 2.94Å; A138-L141 VanDerWaalsContact O-N 3.17Å; L141-S144 CarbonylContact O-C 3.26Å; L141-S144 PolarHBondContact O-N 2.86Å; L141-E145 PolarHBondContact O-N 3.16Å; L141-C146 HydrophobicContact CB-CB 4.23Å; L141-C146 HydrophobicContact CD2-CB 3.92Å; L141-C146 WeakPolarHBondContact O-CA 3.44Å; L141-C146 VanDerWaalsContact O-CB 3.28Å; L141-C146 WeakPolarHBondContact O-CB 3.44Å; L141-C146 PolarHBondContact O-N 2.81Å; L141-M147 HydrophobicContact CB-CE 3.96Å; L141-M147 PolarHBondContact O-N 2.85Å
142Y98.6Very high98.4Very high61 Ų6141.5 Ų41.524%0.23921%0.207CC..Hα-helixtrans-65.1-49.5172.6169.8-115.8000111.7A138 G139 S144 E145 M147 E149 W152A138-Y142 PolarHBondContact O-N 3.43Å; G139-Y142 PolarHBondContact O-N 2.8Å; Y142-S144 PolarHBondContact O-N 3.26Å; Y142-S144 VanDerWaalsContact O-N 3.16Å; Y142-E145 PolarHBondContact O-N 3.41Å; Y142-M147 WeakPolarHBondContact CD2-O 3.26Å; Y142-E149 WeakPolarHBondContact CE2-OE1 3.04Å; Y142-E149 PolarHBondContact OH-OE1 2.84Å; Y142-E149 PolarHBondContact OH-OE2 3.17Å; Y142-E149 VanDerWaalsContact OH-OE2 3.09Å; Y142-W152 AromaticContact CD1-CD1 3.6Å; Y142-W152 AromaticContact CD1-CD2 3.98Å; Y142-W152 HydrophobicContact CD1-CD2 3.98Å; Y142-W152 AromaticContact CD1-CE2 3.86Å; Y142-W152 AromaticContact CD1-CG 3.86Å; Y142-W152 HydrophobicContact CD1-CG 3.86Å; Y142-W152 AromaticContact CD1-NE1 3.58Å; Y142-W152 HydrophobicContact CD2-CB 3.49Å; Y142-W152 VanDerWaalsContact CD2-CB 3.49Å; Y142-W152 AromaticContact CD2-CD1 3.85Å; Y142-W152 HydrophobicContact CD2-CD2 4.31Å; Y142-W152 AromaticContact CD2-CG 3.61Å; Y142-W152 HydrophobicContact CD2-CG 3.61Å; Y142-W152 AromaticContact CE1-CD1 3.43Å; Y142-W152 VanDerWaalsContact CE1-CD1 3.43Å; Y142-W152 HydrophobicContact CE1-CG 4.1Å; Y142-W152 AromaticContact CE1-NE1 3.54Å; Y142-W152 HydrophobicContact CE2-CB 3.78Å; Y142-W152 AromaticContact CE2-CD1 3.7Å; Y142-W152 AromaticContact CE2-CG 3.87Å; Y142-W152 HydrophobicContact CE2-CG 3.87Å; Y142-W152 HydrophobicContact CG-CB 3.96Å; Y142-W152 AromaticContact CG-CD1 3.8Å; Y142-W152 AromaticContact CG-CD2 3.83Å; Y142-W152 HydrophobicContact CG-CD2 3.83Å; Y142-W152 HydrophobicContact CG-CE3 4.4Å; Y142-W152 AromaticContact CG-CG 3.6Å; Y142-W152 HydrophobicContact CG-CG 3.6Å; Y142-W152 AromaticContact CZ-CD1 3.48Å; Y142-W152 VanDerWaalsContact CZ-CD1 3.48Å
143E98.1Very high98.4Very high127 Ų12744.6 Ų44.659%0.59323%0.229SC*.Hα-helixtrans-61.6-23.5176.6-73.1166.9-161.900113.3G139 N140 E145 K211G139-E143 WeakPolarHBondContact O-CB 3.44Å; G139-E143 WeakPolarHBondContact O-CG 3.36Å; G139-E143 PolarHBondContact O-N 2.96Å; N140-E143 PolarHBondContact O-N 3.04Å; E143-E145 VanDerWaalsContact C-N 3.33Å; E143-K211 IonicContact OE1-NZ 2.7Å; E143-K211 PolarHBondContact OE1-NZ 2.92Å; E143-K211 WeakPolarHBondContact OE2-CE 3.19Å; E143-K211 IonicContact OE2-NZ 3.51Å; E143-K211 PolarHBondContact OE2-NZ 3.4Å
144S97.3Very high98.5Very high44 Ų4448.2 Ų48.231%0.30825%0.247SC..THydrogen-bonded Turntrans-93.918175.6-53.50000113.1N140 L141 Y142 C146N140-S144 VanDerWaalsContact O-CB 3.28Å; N140-S144 WeakPolarHBondContact O-CB 3.18Å; N140-S144 PolarHBondContact O-N 3.32Å; N140-S144 PolarHBondContact O-OG 2.99Å; L141-S144 CarbonylContact O-C 3.26Å; L141-S144 PolarHBondContact O-N 2.86Å; Y142-S144 PolarHBondContact O-N 3.26Å; Y142-S144 VanDerWaalsContact O-N 3.16Å; S144-C146 PolarHBondContact O-N 3.2Å; S144-C146 PolarHBondContact O-SG 2.59Å; S144-C146 VanDerWaalsContact O-SG 3.38Å
145E98.1Very high98.5Very high178 Ų17847.7 Ų47.783%0.83225%0.245SC*.THydrogen-bonded Turntrans57.918.2178.7-55.9-177.1169.200114.8L141 Y142 E143 M147L141-E145 PolarHBondContact O-N 3.16Å; Y142-E145 PolarHBondContact O-N 3.41Å; E143-E145 VanDerWaalsContact C-N 3.33Å; E145-M147 VanDerWaalsContact C-N 3.35Å
146C98.4Very high98.5Very high21 Ų2149.1 Ų49.114%0.14225%0.253CS..SBendtrans-84.7-12.7176.5-60.50000112.6P89 A93 L141 S144P89-C146 HydrophobicContact CB-CB 4.06Å; A93-C146 HydrophobicContact CB-CB 4.08Å; A93-C146 WeakPolarHBondContact CB-O 3.1Å; L141-C146 HydrophobicContact CB-CB 4.23Å; L141-C146 HydrophobicContact CD2-CB 3.92Å; L141-C146 WeakPolarHBondContact O-CA 3.44Å; L141-C146 VanDerWaalsContact O-CB 3.28Å; L141-C146 WeakPolarHBondContact O-CB 3.44Å; L141-C146 PolarHBondContact O-N 2.81Å; S144-C146 PolarHBondContact O-N 3.2Å; S144-C146 PolarHBondContact O-SG 2.59Å; S144-C146 VanDerWaalsContact O-SG 3.38Å
147M98.6Very high98.5Very high4 Ų455 Ų552%0.0228%0.284CS..SBendtrans-127.1135.9165.4-68.2-171.3-73.300108.5A93 A138 L141 Y142 E145 E151 W152A93-M147 HydrophobicContact CB-CG 3.74Å; A93-M147 HydrophobicContact CB-SD 4.5Å; A138-M147 HydrophobicContact CB-CE 3.87Å; A138-M147 WeakPolarHBondContact O-CE 3.44Å; L141-M147 HydrophobicContact CB-CE 3.96Å; L141-M147 PolarHBondContact O-N 2.85Å; Y142-M147 WeakPolarHBondContact CD2-O 3.26Å; E145-M147 VanDerWaalsContact C-N 3.35Å; M147-E151 WeakPolarHBondContact CA-OE2 3.43Å; M147-E151 HydrophobicContact CB-CB 4.1Å; M147-E151 HydrophobicContact CG-CB 4.5Å; M147-W152 HydrophobicContact CE-CE3 3.99Å; M147-W152 HydrophobicContact CE-CZ3 4.36Å
148N98.6Very high98.4Very high83 Ų8356.2 Ų56.244%0.44429%0.291SS..  trans-81.9172.6173.167.458.6000111.9T150 E151 W152N148-T150 PolarHBondContact O-N 3.44Å; N148-T150 WeakPolarHBondContact OD1-CA 3.43Å; N148-T150 VanDerWaalsContact OD1-CB 3.28Å; N148-T150 WeakPolarHBondContact OD1-CB 3.46Å; N148-T150 PolarHBondContact OD1-N 3.18Å; N148-E151 PolarHBondContact N-OE2 3.41Å; N148-E151 PolarHBondContact ND2-OE2 3.21Å; N148-E151 PolarHBondContact O-N 3.11Å; N148-E151 VanDerWaalsContact O-N 3.14Å; N148-E151 PolarHBondContact OD1-N 2.97Å; N148-W152 WeakPolarHBondContact O-CB 3.42Å; N148-W152 PolarHBondContact O-N 2.83Å
149E98.6Very high98.4Very high116 Ų11656.3 Ų56.354%0.54229%0.292SS..Hα-helixtrans-52.5-38.8179.1-67.3-56.5138.300114.3Y142 S153Y142-E149 WeakPolarHBondContact CE2-OE1 3.04Å; Y142-E149 PolarHBondContact OH-OE1 2.84Å; Y142-E149 PolarHBondContact OH-OE2 3.17Å; Y142-E149 VanDerWaalsContact OH-OE2 3.09Å; E149-S153 VanDerWaalsContact O-CB 3.28Å; E149-S153 WeakPolarHBondContact O-CB 3.49Å; E149-S153 PolarHBondContact O-N 3.43Å; E149-S153 PolarHBondContact O-OG 2.8Å
150T98.8Very high98.3Very high95 Ų9557 Ų5758%0.58330%0.299SS*.Hα-helixtrans-71-46.1-179.8-59.10000110.2N148 W152 S153 I154N148-T150 PolarHBondContact O-N 3.44Å; N148-T150 WeakPolarHBondContact OD1-CA 3.43Å; N148-T150 VanDerWaalsContact OD1-CB 3.28Å; N148-T150 WeakPolarHBondContact OD1-CB 3.46Å; N148-T150 PolarHBondContact OD1-N 3.18Å; T150-W152 VanDerWaalsContact C-N 3.34Å; T150-W152 PolarHBondContact O-N 3.02Å; T150-S153 PolarHBondContact O-N 3.14Å; T150-I154 HydrophobicContact CG2-CD1 3.81Å; T150-I154 VanDerWaalsContact O-CG1 3.23Å; T150-I154 WeakPolarHBondContact O-CG1 3.33Å; T150-I154 PolarHBondContact O-N 2.95Å
151E98.8Very high98.2Very high39 Ų3963.5 Ų63.518%0.18232%0.323CS..Hα-helixtrans-61.6-42.8176.3-71173.6134.900111.7Y94 M147 N148 I154 Y155Y94-E151 HydrophobicContact CD2-CB 3.87Å; Y94-E151 HydrophobicContact CD2-CG 4.3Å; Y94-E151 WeakPolarHBondContact CD2-O 3.16Å; Y94-E151 HydrophobicContact CG-CB 4.01Å; Y94-E151 HydrophobicContact CG-CG 4.01Å; M147-E151 WeakPolarHBondContact CA-OE2 3.43Å; M147-E151 HydrophobicContact CB-CB 4.1Å; M147-E151 HydrophobicContact CG-CB 4.5Å; N148-E151 PolarHBondContact N-OE2 3.41Å; N148-E151 PolarHBondContact ND2-OE2 3.21Å; N148-E151 PolarHBondContact O-N 3.11Å; N148-E151 VanDerWaalsContact O-N 3.14Å; N148-E151 PolarHBondContact OD1-N 2.97Å; E151-I154 PolarHBondContact O-N 3.27Å; E151-Y155 WeakPolarHBondContact O-CB 3.08Å; E151-Y155 PolarHBondContact O-N 3.3Å
152W98.8Very high98.1Very high33 Ų3363.8 Ų63.813%0.12533%0.325CS..Hα-helixtrans-65.1-43.7177.3-179.5-129.6000112.3R134 A138 Y142 M147 N148 T150 Y155 Q156R134-W152 HydrophobicContact CG-CH2 4.14Å; A138-W152 HydrophobicContact CB-CZ3 3.85Å; Y142-W152 AromaticContact CD1-CD1 3.6Å; Y142-W152 AromaticContact CD1-CD2 3.98Å; Y142-W152 HydrophobicContact CD1-CD2 3.98Å; Y142-W152 AromaticContact CD1-CE2 3.86Å; Y142-W152 AromaticContact CD1-CG 3.86Å; Y142-W152 HydrophobicContact CD1-CG 3.86Å; Y142-W152 AromaticContact CD1-NE1 3.58Å; Y142-W152 HydrophobicContact CD2-CB 3.49Å; Y142-W152 VanDerWaalsContact CD2-CB 3.49Å; Y142-W152 AromaticContact CD2-CD1 3.85Å; Y142-W152 HydrophobicContact CD2-CD2 4.31Å; Y142-W152 AromaticContact CD2-CG 3.61Å; Y142-W152 HydrophobicContact CD2-CG 3.61Å; Y142-W152 AromaticContact CE1-CD1 3.43Å; Y142-W152 VanDerWaalsContact CE1-CD1 3.43Å; Y142-W152 HydrophobicContact CE1-CG 4.1Å; Y142-W152 AromaticContact CE1-NE1 3.54Å; Y142-W152 HydrophobicContact CE2-CB 3.78Å; Y142-W152 AromaticContact CE2-CD1 3.7Å; Y142-W152 AromaticContact CE2-CG 3.87Å; Y142-W152 HydrophobicContact CE2-CG 3.87Å; Y142-W152 HydrophobicContact CG-CB 3.96Å; Y142-W152 AromaticContact CG-CD1 3.8Å; Y142-W152 AromaticContact CG-CD2 3.83Å; Y142-W152 HydrophobicContact CG-CD2 3.83Å; Y142-W152 HydrophobicContact CG-CE3 4.4Å; Y142-W152 AromaticContact CG-CG 3.6Å; Y142-W152 HydrophobicContact CG-CG 3.6Å; Y142-W152 AromaticContact CZ-CD1 3.48Å; Y142-W152 VanDerWaalsContact CZ-CD1 3.48Å; M147-W152 HydrophobicContact CE-CE3 3.99Å; M147-W152 HydrophobicContact CE-CZ3 4.36Å; N148-W152 WeakPolarHBondContact O-CB 3.42Å; N148-W152 PolarHBondContact O-N 2.83Å; T150-W152 VanDerWaalsContact C-N 3.34Å; T150-W152 PolarHBondContact O-N 3.02Å; W152-Y155 AromaticContact CE3-CD1 3.92Å; W152-Y155 HydrophobicContact CE3-CD1 3.92Å; W152-Y155 HydrophobicContact CH2-CD1 4.44Å; W152-Y155 AromaticContact CZ3-CD1 3.52Å; W152-Y155 HydrophobicContact CZ3-CD1 3.52Å; W152-Y155 AromaticContact CZ3-CE1 3.93Å; W152-Y155 HydrophobicContact CZ3-CE1 3.93Å; W152-Y155 PolarHBondContact O-N 3.49Å; W152-Q156 VanDerWaalsContact CD1-NE2 3.3Å; W152-Q156 HydrophobicContact CD2-CG 3.98Å; W152-Q156 HydrophobicContact CE3-CG 4.21Å; W152-Q156 HydrophobicContact CH2-CG 4.02Å; W152-Q156 HydrophobicContact CZ2-CG 3.77Å; W152-Q156 HydrophobicContact CZ3-CG 4.23Å; W152-Q156 VanDerWaalsContact O-CG 3.28Å; W152-Q156 WeakPolarHBondContact O-CG 3.46Å; W152-Q156 PolarHBondContact O-N 3.02Å; W152-Q156 PolarHBondContact O-NE2 3.35Å
153S98.6Very high97.9Very high66 Ų6661.8 Ų61.846%0.46232%0.318SS..Hα-helixtrans-62.2-44.6176.6-61.70000111.9E149 T150 Q156 D157E149-S153 VanDerWaalsContact O-CB 3.28Å; E149-S153 WeakPolarHBondContact O-CB 3.49Å; E149-S153 PolarHBondContact O-N 3.43Å; E149-S153 PolarHBondContact O-OG 2.8Å; T150-S153 PolarHBondContact O-N 3.14Å; S153-Q156 PolarHBondContact O-N 3.31Å; S153-D157 PolarHBondContact O-N 2.91Å
154I98.8Very high97.7Very high79 Ų7961.8 Ų61.841%0.40532%0.322SS..Hα-helixtrans-65.7-41.7177.7-64.7165.6000110.9Y94 T150 E151 Q156 D157 L158Y94-I154 HydrophobicContact CE2-CB 4.2Å; Y94-I154 HydrophobicContact CE2-CG2 4.04Å; Y94-I154 WeakPolarHBondContact OH-CG2 3.26Å; T150-I154 HydrophobicContact CG2-CD1 3.81Å; T150-I154 VanDerWaalsContact O-CG1 3.23Å; T150-I154 WeakPolarHBondContact O-CG1 3.33Å; T150-I154 PolarHBondContact O-N 2.95Å; E151-I154 PolarHBondContact O-N 3.27Å; I154-Q156 VanDerWaalsContact C-N 3.35Å; I154-Q156 PolarHBondContact O-N 2.71Å; I154-D157 PolarHBondContact O-N 2.91Å; I154-L158 WeakPolarHBondContact O-CB 3.44Å; I154-L158 PolarHBondContact O-N 2.85Å
155Y98.8Very high97.6Very high1 Ų164.5 Ų64.50%0.00433%0.33CS..Hα-helixtrans-62.1-42.9177.9175.9-93.6000111.8Q97 C101 D133 R134 A138 E151 W152 L158 H159Q97-Y155 HydrophobicContact CB-CD2 4.12Å; Q97-Y155 HydrophobicContact CB-CE2 3.71Å; C101-Y155 HydrophobicContact CB-CE2 4.49Å; D133-Y155 VanDerWaalsContact C-OH 3.31Å; D133-Y155 PolarHBondContact O-OH 3.34Å; R134-Y155 HydrophobicContact CB-CE1 3.94Å; R134-Y155 HydrophobicContact CG-CE1 4.04Å; R134-Y155 PolarHBondContact N-OH 2.76Å; A138-Y155 HydrophobicContact CB-CD1 3.95Å; A138-Y155 HydrophobicContact CB-CE1 3.37Å; A138-Y155 HydrophobicContact CB-CE2 4.28Å; E151-Y155 WeakPolarHBondContact O-CB 3.08Å; E151-Y155 PolarHBondContact O-N 3.3Å; W152-Y155 AromaticContact CE3-CD1 3.92Å; W152-Y155 HydrophobicContact CE3-CD1 3.92Å; W152-Y155 HydrophobicContact CH2-CD1 4.44Å; W152-Y155 AromaticContact CZ3-CD1 3.52Å; W152-Y155 HydrophobicContact CZ3-CD1 3.52Å; W152-Y155 AromaticContact CZ3-CE1 3.93Å; W152-Y155 HydrophobicContact CZ3-CE1 3.93Å; W152-Y155 PolarHBondContact O-N 3.49Å; Y155-L158 PolarHBondContact O-N 3.22Å; Y155-H159 VanDerWaalsContact O-CB 3.27Å; Y155-H159 WeakPolarHBondContact O-CB 3.48Å; Y155-H159 PolarHBondContact O-N 2.95Å
156Q98.4Very high97.3Very high57 Ų5759.2 Ų59.227%0.26630%0.304SS..Hα-helixtrans-64.1-41.4176.8-70.5-179.2100.900112.3W152 S153 I154 H159 G160W152-Q156 VanDerWaalsContact CD1-NE2 3.3Å; W152-Q156 HydrophobicContact CD2-CG 3.98Å; W152-Q156 HydrophobicContact CE3-CG 4.21Å; W152-Q156 HydrophobicContact CH2-CG 4.02Å; W152-Q156 HydrophobicContact CZ2-CG 3.77Å; W152-Q156 HydrophobicContact CZ3-CG 4.23Å; W152-Q156 VanDerWaalsContact O-CG 3.28Å; W152-Q156 WeakPolarHBondContact O-CG 3.46Å; W152-Q156 PolarHBondContact O-N 3.02Å; W152-Q156 PolarHBondContact O-NE2 3.35Å; S153-Q156 PolarHBondContact O-N 3.31Å; I154-Q156 VanDerWaalsContact C-N 3.35Å; I154-Q156 PolarHBondContact O-N 2.71Å; Q156-H159 PolarHBondContact O-N 2.86Å; Q156-G160 PolarHBondContact O-N 2.95Å
157D98.3Very high96.7Very high123 Ų12358.4 Ų58.466%0.65830%0.299SS*.Hα-helixtrans-62.8-47.1175.4-176.861.8000111.7S153 I154 H159 G160 W161S153-D157 PolarHBondContact O-N 2.91Å; I154-D157 PolarHBondContact O-N 2.91Å; D157-H159 VanDerWaalsContact C-N 3.34Å; D157-H159 PolarHBondContact O-N 2.71Å; D157-G160 PolarHBondContact O-N 3.37Å; D157-W161 WeakPolarHBondContact O-CB 3.22Å; D157-W161 PolarHBondContact O-N 3.36Å
158L97.8Very high96.1Very high41 Ų4166.5 Ų66.522%0.21533%0.334CS..Hα-helixtrans-57.4-46.8174.4172.864.3000111.6I102 I154 Y155 W161 L162I102-L158 HydrophobicContact CD1-CD2 4.19Å; I154-L158 WeakPolarHBondContact O-CB 3.44Å; I154-L158 PolarHBondContact O-N 2.85Å; Y155-L158 PolarHBondContact O-N 3.22Å; L158-W161 PolarHBondContact O-N 3.41Å; L158-L162 HydrophobicContact CD1-CD1 4.18Å; L158-L162 HydrophobicContact CD1-CG 4.28Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 WeakPolarHBondContact O-CG 3.37Å; L158-L162 PolarHBondContact O-N 2.76Å
159H97.9Very high95.5Very high1 Ų166.9 Ų66.91%0.00533%0.333CS..Hα-helixtrans-62.2-48.7179.4-178.7-80000111.7I130 R134 Y155 Q156 D157 W161 L162 H163 F225I130-H159 WeakPolarHBondContact CG1-NE2 3.38Å; I130-H159 PolarHBondContact O-NE2 3.17Å; R134-H159 WeakPolarHBondContact CB-NE2 3.42Å; R134-H159 VanDerWaalsContact CD-CG 3.49Å; R134-H159 VanDerWaalsContact CD-ND1 3.31Å; R134-H159 WeakPolarHBondContact CD-ND1 3.27Å; R134-H159 PolarHBondContact NH1-ND1 2.58Å; Y155-H159 VanDerWaalsContact O-CB 3.27Å; Y155-H159 WeakPolarHBondContact O-CB 3.48Å; Y155-H159 PolarHBondContact O-N 2.95Å; Q156-H159 PolarHBondContact O-N 2.86Å; D157-H159 VanDerWaalsContact C-N 3.34Å; D157-H159 PolarHBondContact O-N 2.71Å; H159-W161 VanDerWaalsContact C-N 3.33Å; H159-W161 PolarHBondContact O-N 3.19Å; H159-L162 PolarHBondContact O-N 3.46Å; H159-H163 PolarHBondContact O-N 2.75Å; H159-F225 AromaticContact CE1-CE2 3.44Å; H159-F225 VanDerWaalsContact CE1-CE2 3.44Å; H159-F225 WeakPolarHBondContact CE1-CE2 3.45Å; H159-F225 AromaticContact CE1-CZ 3.58Å; H159-F225 AromaticContact ND1-CE2 3.87Å; H159-F225 AromaticContact ND1-CZ 3.65Å
160G96.8Very high95Very high21 Ų2161.4 Ų61.422%0.21631%0.308CS..Hα-helixtrans-60.5-41.417700000112.1Q156 D157 H163 N164Q156-G160 PolarHBondContact O-N 2.95Å; D157-G160 PolarHBondContact O-N 3.37Å; G160-H163 PolarHBondContact O-N 3.09Å; G160-N164 WeakPolarHBondContact O-CB 3.46Å; G160-N164 PolarHBondContact O-N 3.06Å
161W96.8Very high94.8Very high139 Ų13960.6 Ų60.653%0.52730%0.297SS..Hα-helixtrans-63.4-46.7174.7-178.683.8000112.2D157 L158 H159 H163 N164 Q165D157-W161 WeakPolarHBondContact O-CB 3.22Å; D157-W161 PolarHBondContact O-N 3.36Å; L158-W161 PolarHBondContact O-N 3.41Å; H159-W161 VanDerWaalsContact C-N 3.33Å; H159-W161 PolarHBondContact O-N 3.19Å; W161-H163 VanDerWaalsContact C-N 3.34Å; W161-H163 PolarHBondContact O-N 3.45Å; W161-N164 PolarHBondContact O-N 3.23Å; W161-Q165 HydrophobicContact CD2-CG 4.04Å; W161-Q165 HydrophobicContact CH2-CG 4.29Å; W161-Q165 HydrophobicContact CZ2-CG 3.78Å; W161-Q165 WeakPolarHBondContact O-CG 3.48Å; W161-Q165 PolarHBondContact O-N 3.18Å
162L95.5Very high94.8Very high11 Ų1159.2 Ų59.26%0.05829%0.291CS..Hα-helixtrans-59.4-44.8176.2-74.1172000111.5I102 I130 L158 H159 Q165 F166I102-L162 HydrophobicContact CG1-CD1 4.06Å; I130-L162 HydrophobicContact CD1-CB 4.46Å; L158-L162 HydrophobicContact CD1-CD1 4.18Å; L158-L162 HydrophobicContact CD1-CG 4.28Å; L158-L162 HydrophobicContact CG-CD1 4.19Å; L158-L162 WeakPolarHBondContact O-CG 3.37Å; L158-L162 PolarHBondContact O-N 2.76Å; H159-L162 PolarHBondContact O-N 3.46Å; L162-Q165 PolarHBondContact O-N 3.36Å; L162-F166 HydrophobicContact CD2-CD2 4.13Å; L162-F166 HydrophobicContact CD2-CE2 3.97Å; L162-F166 WeakPolarHBondContact O-CB 3.38Å; L162-F166 WeakPolarHBondContact O-CD2 3.35Å; L162-F166 PolarHBondContact O-N 3.1Å
163H94.4Very high94.7Very high19 Ų1959 Ų599%0.08829%0.292CS..Hα-helixtrans-63.7-41.8176.6-171.2-76.7000111.9Y131 H159 G160 W161 Q165 G167 E171 F225Y131-H163 AromaticContact CE1-CD2 3.63Å; Y131-H163 AromaticContact CE1-NE2 3.62Å; Y131-H163 AromaticContact CZ-CD2 3.91Å; Y131-H163 AromaticContact CZ-NE2 3.73Å; Y131-H163 PolarHBondContact OH-CD2 3.47Å; Y131-H163 PolarHBondContact OH-NE2 3.13Å; H159-H163 PolarHBondContact O-N 2.75Å; G160-H163 PolarHBondContact O-N 3.09Å; W161-H163 VanDerWaalsContact C-N 3.34Å; W161-H163 PolarHBondContact O-N 3.45Å; H163-Q165 PolarHBondContact O-N 3.47Å; H163-G167 WeakPolarHBondContact O-CA 3.46Å; H163-G167 PolarHBondContact O-N 2.81Å; H163-E171 IonicContact CE1-OE1 2.72Å; H163-F225 HydrophobicContact CB-CE1 3.83Å; H163-F225 HydrophobicContact CB-CZ 4.01Å; H163-F225 AromaticContact CD2-CD1 3.9Å; H163-F225 AromaticContact CD2-CE1 3.59Å; H163-F225 AromaticContact CD2-CZ 3.94Å; H163-F225 AromaticContact CE1-CD1 3.6Å; H163-F225 AromaticContact CE1-CE1 3.78Å; H163-F225 AromaticContact CG-CD1 3.94Å; H163-F225 AromaticContact CG-CE1 3.32Å; H163-F225 AromaticContact CG-CZ 3.84Å; H163-F225 AromaticContact ND1-CD1 3.75Å; H163-F225 AromaticContact ND1-CE1 3.44Å; H163-F225 WeakPolarHBondContact ND1-CE1 3.28Å; H163-F225 AromaticContact NE2-CD1 3.68Å; H163-F225 AromaticContact NE2-CE1 3.87Å
164N94.1Very high94.7Very high126 Ų12655.9 Ų55.967%0.67427%0.27SS*.Hα-helixtrans-63.8-41.7177.9-173.48.3000112G160 W161G160-N164 WeakPolarHBondContact O-CB 3.46Å; G160-N164 PolarHBondContact O-N 3.06Å; W161-N164 PolarHBondContact O-N 3.23Å
165Q94Very high94.7Very high102 Ų10252.1 Ų52.148%0.47725%0.251SS..Hα-helixtrans-72.6-37.2179.9-65.3-53.6-62.100113.2W161 L162 H163W161-Q165 HydrophobicContact CD2-CG 4.04Å; W161-Q165 HydrophobicContact CH2-CG 4.29Å; W161-Q165 HydrophobicContact CZ2-CG 3.78Å; W161-Q165 WeakPolarHBondContact O-CG 3.48Å; W161-Q165 PolarHBondContact O-N 3.18Å; L162-Q165 PolarHBondContact O-N 3.36Å; H163-Q165 PolarHBondContact O-N 3.47Å
166F92.6Very high94.7Very high66 Ų6652.1 Ų52.129%0.28925%0.251SS..Hα-helixtrans-121.20.6-167.8-55-65.7000114.7V105 I109 L162 K168 H169 I170V105-F166 HydrophobicContact CG1-CB 4.3Å; V105-F166 HydrophobicContact CG1-CD2 3.85Å; V105-F166 HydrophobicContact CG1-CG 4.21Å; I109-F166 HydrophobicContact CD1-CB 3.84Å; I109-F166 HydrophobicContact CD1-CD1 3.39Å; I109-F166 HydrophobicContact CD1-CD2 4.15Å; I109-F166 HydrophobicContact CD1-CE1 3.93Å; I109-F166 HydrophobicContact CD1-CG 3.51Å; I109-F166 HydrophobicContact CG1-CD1 4.49Å; L162-F166 HydrophobicContact CD2-CD2 4.13Å; L162-F166 HydrophobicContact CD2-CE2 3.97Å; L162-F166 WeakPolarHBondContact O-CB 3.38Å; L162-F166 WeakPolarHBondContact O-CD2 3.35Å; L162-F166 PolarHBondContact O-N 3.1Å; F166-K168 VanDerWaalsContact C-N 3.33Å; F166-K168 PolarHBondContact O-N 3.28Å; F166-H169 WeakPolarHBondContact O-CA 3.34Å; F166-H169 WeakPolarHBondContact O-CB 3.3Å; F166-H169 PolarHBondContact O-N 3.48Å; F166-I170 HydrophobicContact CB-CD1 4.31Å; F166-I170 PolarHBondContact O-N 2.8Å
167G86.3Confident94.7Very high4 Ų449.4 Ų49.44%0.04124%0.239CC..Hα-helixtrans-49.5-48.2-173.500000113.2H163 H169 I170 E171H163-G167 WeakPolarHBondContact O-CA 3.46Å; H163-G167 PolarHBondContact O-N 2.81Å; G167-H169 PolarHBondContact O-N 2.83Å; G167-I170 PolarHBondContact O-N 3.16Å; G167-E171 WeakPolarHBondContact O-CB 3.17Å; G167-E171 VanDerWaalsContact O-CG 3.25Å; G167-E171 WeakPolarHBondContact O-CG 3.36Å; G167-E171 PolarHBondContact O-N 3.25Å
168K85.8Confident94.8Very high174 Ų17443.6 Ų43.676%0.75721%0.207SC*.Hα-helixtrans-53.4-23.9176.7-64.9-174.8178.4-1780114.7R23 F166R23-K168 PolarHBondContact NH2-O 3.38Å; F166-K168 VanDerWaalsContact C-N 3.33Å; F166-K168 PolarHBondContact O-N 3.28Å
169H85.8Confident94.8Very high92 Ų9245.6 Ų45.643%0.42621%0.212SC..Hα-helixtrans-100.3-10.8-179.2-56.6-70.1000113.9R23 Y126 F166 G167R23-H169 WeakPolarHBondContact CD-O 3.48Å; R23-H169 PolarHBondContact NE-O 3.45Å; Y126-H169 PolarHBondContact OH-O 2.96Å; F166-H169 WeakPolarHBondContact O-CA 3.34Å; F166-H169 WeakPolarHBondContact O-CB 3.3Å; F166-H169 PolarHBondContact O-N 3.48Å; G167-H169 PolarHBondContact O-N 2.83Å
170I88.8Confident94.8Very high1 Ų145.7 Ų45.71%0.00521%0.213CC..Hα-helixtrans-129.6-8.9-173.968.4-175.8000114.1V105 Q108 I109 I130 F166 G167V105-I170 HydrophobicContact CG2-CD1 4.3Å; Q108-I170 HydrophobicContact CB-CG2 4.13Å; I109-I170 HydrophobicContact CG1-CG2 4.36Å; I130-I170 HydrophobicContact CD1-CD1 4.07Å; I130-I170 HydrophobicContact CG2-CD1 3.9Å; I130-I170 HydrophobicContact CG2-CG1 4.35Å; F166-I170 HydrophobicContact CB-CD1 4.31Å; F166-I170 PolarHBondContact O-N 2.8Å; G167-I170 PolarHBondContact O-N 3.16Å
171E94.8Very high94.9Very high78 Ų7846.3 Ų46.336%0.36421%0.214SC..  trans-58.1143.6170.6-82.5171.5-173.300110.3R23 H163 G167 Y227R23-E171 VanDerWaalsContact CD-O 3.27Å; R23-E171 WeakPolarHBondContact CD-O 3.28Å; H163-E171 IonicContact CE1-OE1 2.72Å; G167-E171 WeakPolarHBondContact O-CB 3.17Å; G167-E171 VanDerWaalsContact O-CG 3.25Å; G167-E171 WeakPolarHBondContact O-CG 3.36Å; G167-E171 PolarHBondContact O-N 3.25Å; E171-Y227 HydrophobicContact CG-CE1 4.1Å; E171-Y227 HydrophobicContact CG-CE2 4.44Å
172L97.4Very high95Very high9 Ų940.3 Ų40.35%0.04719%0.193CC..  trans-101.6138.1-170.1-56.1175.7000110.6R23 Y126 Y131 I175R23-L172 HydrophobicContact CB-CD2 4.5Å; Y126-L172 HydrophobicContact CD2-CD2 3.71Å; Y126-L172 HydrophobicContact CE2-CD2 4Å; Y131-L172 HydrophobicContact CD2-CD1 3.77Å; Y131-L172 HydrophobicContact CD2-CG 4.32Å; Y131-L172 HydrophobicContact CE2-CD1 3.86Å; Y131-L172 HydrophobicContact CE2-CG 3.89Å; L172-I175 HydrophobicContact CD1-CD1 4.31Å; L172-I175 HydrophobicContact CD1-CG1 3.94Å
173D97.8Very high95.1Very high29 Ų2944.6 Ų44.616%0.15521%0.212CC..SBendtrans-87.5-22.4169.1-58.6-75.2000111.2R20 T22 R23 P232R20-D173 IonicContact CZ-OD1 3.16Å; R20-D173 IonicContact NE-OD1 2.9Å; R20-D173 IonicContact NH2-OD1 3.88Å; R20-D173 PolarHBondContact NH2-OD1 3Å; T22-D173 WeakPolarHBondContact CA-OD2 3.33Å; T22-D173 HydrophobicContact CG2-CB 3.91Å; R23-D173 PolarHBondContact N-OD2 3.03Å; R23-D173 PolarHBondContact O-N 3.48Å; D173-P232 WeakPolarHBondContact O-CD 3.3Å
174G98.4Very high95.2Very high0 Ų045.9 Ų45.90%022%0.218CC..EExtended strand (participates in β ladder)trans-164.2164.1178.200000113.6R23 I24 S25R23-G174 PolarHBondContact O-N 3.35Å; I24-G174 WeakPolarHBondContact CA-O 3.46Å; S25-G174 PolarHBondContact N-O 3.42Å; S25-G174 VanDerWaalsContact N-O 3.08Å
175I98.9Very high95.4Very high1 Ų139.9 Ų39.91%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-128.5135.1176.5-59.8166.3000109.4S25 E27 L172 W215 L216 V231 P232 V233 L234S25-I175 CarbonylContact O-C 3.57Å; S25-I175 WeakPolarHBondContact O-CA 2.96Å; E27-I175 HydrophobicContact CB-CG2 4.13Å; E27-I175 HydrophobicContact CG-CG2 3.72Å; L172-I175 HydrophobicContact CD1-CD1 4.31Å; L172-I175 HydrophobicContact CD1-CG1 3.94Å; I175-W215 HydrophobicContact CD1-CZ2 3.95Å; I175-L216 HydrophobicContact CD1-CD2 3.93Å; I175-L216 HydrophobicContact CG2-CD1 4.49Å; I175-L216 HydrophobicContact CG2-CD2 3.84Å; I175-V231 HydrophobicContact CD1-CG1 4.01Å; I175-V231 HydrophobicContact CG1-CG1 3.9Å; I175-P232 PolarHBondContact N-O 2.79Å; I175-V233 HydrophobicContact CB-CG1 4.48Å; I175-V233 HydrophobicContact CB-CG2 4.28Å; I175-V233 HydrophobicContact CG2-CG1 4.46Å; I175-V233 CarbonylContact O-C 3.57Å; I175-V233 VanDerWaalsContact O-CA 3.29Å; I175-V233 WeakPolarHBondContact O-CA 3.48Å; I175-L234 PolarHBondContact O-N 2.88Å
176I98.8Very high95.6Very high0 Ų036.6 Ų36.60%017%0.171CC..EExtended strand (participates in β ladder)trans-106.6113.3168-60.9168.4000107.7I24 S25 I26 E27 F37 F125 L178 L234 L236 V256 F259I24-I176 HydrophobicContact CG2-CD1 3.7Å; I24-I176 HydrophobicContact CG2-CG1 3.74Å; S25-I176 PolarHBondContact O-N 2.9Å; I26-I176 CarbonylContact C-O 3.5Å; I26-I176 WeakPolarHBondContact CA-O 3.4Å; E27-I176 PolarHBondContact N-O 2.72Å; F37-I176 HydrophobicContact CE1-CG2 4.14Å; F125-I176 HydrophobicContact CD1-CD1 4.42Å; F125-I176 HydrophobicContact CE1-CD1 3.96Å; I176-L178 HydrophobicContact CG2-CD2 4.08Å; I176-L234 CarbonylContact C-O 3.53Å; I176-L234 WeakPolarHBondContact CA-O 3.49Å; I176-L234 HydrophobicContact CG1-CB 4.36Å; I176-L234 HydrophobicContact CG1-CD2 4.33Å; I176-L236 HydrophobicContact CG2-CD1 3.86Å; I176-L236 HydrophobicContact CG2-CG 4.3Å; I176-V256 HydrophobicContact CD1-CG1 4.14Å; I176-V256 HydrophobicContact CD1-CG2 3.79Å; I176-F259 HydrophobicContact CG1-CD1 4.4Å; I176-F259 HydrophobicContact CG1-CE1 4.31Å
177Y98.8Very high95.7Very high1 Ų137.6 Ų37.60%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-94.3110177.1179.1-145.4000111R179 H212 E213 L216 L234 T235 L236Y177-R179 HydrophobicContact CD1-CB 4.1Å; Y177-R179 HydrophobicContact CD1-CG 4.46Å; Y177-R179 HydrophobicContact CE1-CB 3.73Å; Y177-R179 HydrophobicContact CE1-CG 3.67Å; Y177-R179 HydrophobicContact CE2-CB 4.47Å; Y177-R179 PolarHBondContact O-N 2.62Å; Y177-H212 HydrophobicContact CE2-CB 3.87Å; Y177-E213 WeakPolarHBondContact CE1-OE1 3.46Å; Y177-E213 PolarHBondContact OH-OE1 3.09Å; Y177-E213 VanDerWaalsContact OH-OE1 3.11Å; Y177-L216 HydrophobicContact CD1-CB 3.97Å; Y177-L216 HydrophobicContact CD1-CD1 4.37Å; Y177-L216 HydrophobicContact CD2-CD1 3.58Å; Y177-L216 HydrophobicContact CE2-CD1 4.2Å; Y177-L216 HydrophobicContact CG-CB 4.05Å; Y177-L216 HydrophobicContact CG-CD1 3.69Å; Y177-L234 PolarHBondContact N-O 3.48Å; Y177-T235 HydrophobicContact CD1-CG2 3.9Å; Y177-L236 PolarHBondContact O-N 3.17Å
178L98.6Very high96.2Very high0 Ų038.9 Ų38.90%018%0.181CC..EExtended strand (participates in β ladder)trans-82.695.4171.1-59.3-170.3000109.7I26 E27 K34 F37 I176 L236 V238 M252I26-L178 HydrophobicContact CG2-CD1 3.82Å; I26-L178 HydrophobicContact CG2-CG 3.84Å; E27-L178 PolarHBondContact O-N 3.16Å; K34-L178 HydrophobicContact CB-CD1 4.46Å; K34-L178 HydrophobicContact CG-CD1 4.11Å; F37-L178 HydrophobicContact CB-CD1 3.74Å; F37-L178 HydrophobicContact CD1-CD1 4.02Å; F37-L178 HydrophobicContact CD1-CD2 3.94Å; F37-L178 HydrophobicContact CD1-CG 4.44Å; F37-L178 HydrophobicContact CE1-CD2 4.18Å; F37-L178 HydrophobicContact CG-CD1 4.07Å; F37-L178 HydrophobicContact CG-CD2 4.3Å; I176-L178 HydrophobicContact CG2-CD2 4.08Å; L178-L236 HydrophobicContact CD2-CB 4.03Å; L178-L236 HydrophobicContact CD2-CD1 3.98Å; L178-L236 HydrophobicContact CD2-CG 4.5Å; L178-V238 HydrophobicContact CB-CG2 3.99Å; L178-V238 HydrophobicContact CD2-CG1 4.14Å; L178-M252 HydrophobicContact CD2-CE 4.34Å
179R98.5Very high96.6Very high84 Ų8430.6 Ų30.632%0.31715%0.145SC..EExtended strand (participates in β ladder)trans-86.9118.7-175.3-167.8175-174.2-118.2-4.6110.5Y177 E213 T235 L236 V238Y177-R179 HydrophobicContact CD1-CB 4.1Å; Y177-R179 HydrophobicContact CD1-CG 4.46Å; Y177-R179 HydrophobicContact CE1-CB 3.73Å; Y177-R179 HydrophobicContact CE1-CG 3.67Å; Y177-R179 HydrophobicContact CE2-CB 4.47Å; Y177-R179 PolarHBondContact O-N 2.62Å; R179-E213 IonicContact CZ-OE1 2.8Å; R179-E213 IonicContact CZ-OE2 3.99Å; R179-E213 IonicContact NE-OE1 3.76Å; R179-E213 PolarHBondContact NE-OE1 3.45Å; R179-E213 IonicContact NE-OE2 3.72Å; R179-E213 PolarHBondContact NE-OE2 3.38Å; R179-E213 IonicContact NH2-OE1 2.81Å; R179-E213 IonicContact NH2-OE2 3.4Å; R179-E213 PolarHBondContact NH2-OE2 2.94Å; R179-T235 HydrophobicContact CB-CG2 3.93Å; R179-L236 PolarHBondContact N-O 3.12Å; R179-V238 WeakPolarHBondContact O-CG2 3.02Å; R179-V238 PolarHBondContact O-N 2.93Å
180A98.1Very high97Very high2 Ų230.7 Ų30.72%0.01715%0.145CC..  trans-137.8150.1171.900000109.8A32 H209 V238A32-A180 HydrophobicContact CB-CB 4.42Å; A180-H209 PolarHBondContact O-ND1 3.29Å; A180-V238 HydrophobicContact CB-CG2 4.09Å
181S98.4Very high97.1Very high35 Ų3536.8 Ų36.825%0.24518%0.175CC..  trans-64.1148.1173.755.20000111.7E183 K184 C185 N239S181-E183 WeakPolarHBondContact CB-OE2 3.31Å; S181-E183 PolarHBondContact O-N 2.67Å; S181-K184 PolarHBondContact O-N 2.78Å; S181-K184 VanDerWaalsContact O-N 3.13Å; S181-K184 VanDerWaalsContact OG-CB 3.24Å; S181-K184 WeakPolarHBondContact OG-CB 3.27Å; S181-K184 PolarHBondContact OG-N 3.14Å; S181-C185 PolarHBondContact O-N 3.49Å; S181-N239 WeakPolarHBondContact CB-OD1 3.26Å; S181-N239 PolarHBondContact N-OD1 3.49Å; S181-N239 PolarHBondContact OG-OD1 3.37Å
182P98.5Very high97Very high12 Ų1237.4 Ų37.48%0.07817%0.174CC..Hα-helixtrans-52.5-38.8174.7-27.636.3000113.3C185 L186 L202 L205 E206 H209P182-C185 WeakPolarHBondContact O-CB 3.33Å; P182-C185 PolarHBondContact O-N 3.28Å; P182-L186 WeakPolarHBondContact O-CB 3.39Å; P182-L186 PolarHBondContact O-N 3.43Å; P182-L202 HydrophobicContact CB-CD1 3.72Å; P182-L205 HydrophobicContact CB-CB 4.18Å; P182-E206 HydrophobicContact CB-CG 3.81Å; P182-E206 HydrophobicContact CG-CB 4.47Å; P182-E206 HydrophobicContact CG-CG 3.9Å; P182-H209 HydrophobicContact CG-CB 3.75Å
183E98.2Very high96.6Very high101 Ų10139.3 Ų39.347%0.47220%0.196SC..Hα-helixtrans-64.9-44.2178.5-59.878.2-174.400111.1S181 C185 L186 E187 L202S181-E183 WeakPolarHBondContact CB-OE2 3.31Å; S181-E183 PolarHBondContact O-N 2.67Å; E183-C185 VanDerWaalsContact C-N 3.32Å; E183-C185 PolarHBondContact O-N 2.77Å; E183-L186 PolarHBondContact O-N 2.89Å; E183-E187 PolarHBondContact O-N 2.78Å; E183-L202 HydrophobicContact CG-CD1 4.41Å
184K97.7Very high96.2Very high46 Ų4641.2 Ų41.220%0.220%0.201CC..Hα-helixtrans-66.1-38.3176.2-16674.5-163.5163.80111.5S181 E187 R188 N239S181-K184 PolarHBondContact O-N 2.78Å; S181-K184 VanDerWaalsContact O-N 3.13Å; S181-K184 VanDerWaalsContact OG-CB 3.24Å; S181-K184 WeakPolarHBondContact OG-CB 3.27Å; S181-K184 PolarHBondContact OG-N 3.14Å; K184-E187 WeakPolarHBondContact CD-OE2 3.44Å; K184-E187 IonicContact NZ-OE1 3.38Å; K184-E187 PolarHBondContact NZ-OE1 2.94Å; K184-E187 IonicContact NZ-OE2 2.92Å; K184-E187 PolarHBondContact NZ-OE2 3.33Å; K184-R188 WeakPolarHBondContact O-CB 3.46Å; K184-R188 VanDerWaalsContact O-CG 3.31Å; K184-R188 WeakPolarHBondContact O-CG 3.28Å; K184-R188 PolarHBondContact O-N 3.16Å; K184-N239 WeakPolarHBondContact CD-O 3.2Å; K184-N239 WeakPolarHBondContact CE-O 3.47Å
185C97.8Very high95.8Very high0 Ų047.8 Ų47.80%023%0.231CC..Hα-helixtrans-60.4-45.5172.5-80.60000111.6I30 A31 S181 P182 E183 R188 L189 L205I30-C185 VanDerWaalsContact O-CB 3.29Å; I30-C185 WeakPolarHBondContact O-CB 3.38Å; I30-C185 PolarHBondContact O-SG 3.36Å; A31-C185 WeakPolarHBondContact CB-O 3.35Å; S181-C185 PolarHBondContact O-N 3.49Å; P182-C185 WeakPolarHBondContact O-CB 3.33Å; P182-C185 PolarHBondContact O-N 3.28Å; E183-C185 VanDerWaalsContact C-N 3.32Å; E183-C185 PolarHBondContact O-N 2.77Å; C185-R188 PolarHBondContact O-N 3.42Å; C185-L189 VanDerWaalsContact O-CB 3.25Å; C185-L189 WeakPolarHBondContact O-CB 3.36Å; C185-L189 PolarHBondContact O-N 2.79Å; C185-L205 HydrophobicContact CB-CD1 4.25Å
186L97.3Very high95.3Very high33 Ų3349.3 Ų49.317%0.17324%0.239CC..Hα-helixtrans-63.2-44.5178.1-172.162.5000112P182 E183 R188 L189 H190 L202 L205P182-L186 WeakPolarHBondContact O-CB 3.39Å; P182-L186 PolarHBondContact O-N 3.43Å; E183-L186 PolarHBondContact O-N 2.89Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 2.97Å; L186-L189 WeakPolarHBondContact O-CB 3.28Å; L186-L189 PolarHBondContact O-N 3.25Å; L186-H190 PolarHBondContact O-N 2.98Å; L186-L202 HydrophobicContact CB-CD1 4.43Å; L186-L202 HydrophobicContact CD2-CB 4.06Å; L186-L202 HydrophobicContact CD2-CD1 4.16Å; L186-L205 HydrophobicContact CB-CD1 3.75Å; L186-L205 HydrophobicContact CD1-CD1 3.92Å; L186-L205 HydrophobicContact CG-CD1 4.42Å
187E95.7Very high94.9Very high87 Ų8749.8 Ų49.841%0.40724%0.241SC..Hα-helixtrans-55.2-48.6174.4-173.3-160.7137.700111E183 K184 L189 H190 M191E183-E187 PolarHBondContact O-N 2.78Å; K184-E187 WeakPolarHBondContact CD-OE2 3.44Å; K184-E187 IonicContact NZ-OE1 3.38Å; K184-E187 PolarHBondContact NZ-OE1 2.94Å; K184-E187 IonicContact NZ-OE2 2.92Å; K184-E187 PolarHBondContact NZ-OE2 3.33Å; E187-L189 VanDerWaalsContact C-N 3.35Å; E187-L189 PolarHBondContact O-N 3.48Å; E187-H190 PolarHBondContact O-N 3.43Å; E187-M191 HydrophobicContact CG-CE 4.09Å; E187-M191 WeakPolarHBondContact O-CG 3.36Å; E187-M191 PolarHBondContact O-N 3.39Å
188R95.7Very high94.3Very high32 Ų3253.2 Ų53.212%0.12126%0.257CS..Hα-helixtrans-67.4-34.2178.8-72.1173.5177.4162.16.8113.2A31 A32 K184 C185 L186 M191 R192 V238 N239A31-R188 HydrophobicContact CB-CB 3.91Å; A31-R188 WeakPolarHBondContact O-CB 3.47Å; A31-R188 WeakPolarHBondContact O-CD 3.27Å; A32-R188 PolarHBondContact O-NH1 2.88Å; K184-R188 WeakPolarHBondContact O-CB 3.46Å; K184-R188 VanDerWaalsContact O-CG 3.31Å; K184-R188 WeakPolarHBondContact O-CG 3.28Å; K184-R188 PolarHBondContact O-N 3.16Å; C185-R188 PolarHBondContact O-N 3.42Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 2.97Å; R188-M191 HydrophobicContact CB-CE 4.3Å; R188-M191 HydrophobicContact CG-CE 3.78Å; R188-M191 PolarHBondContact O-N 2.86Å; R188-R192 WeakPolarHBondContact O-CB 3.31Å; R188-R192 PolarHBondContact O-N 2.89Å; R188-V238 PolarHBondContact NH1-O 3.3Å; R188-V238 PolarHBondContact NH2-O 3.24Å; R188-N239 PolarHBondContact NH2-O 3.01Å
189L94.7Very high94Very high0 Ų062.1 Ų62.10%030%0.298CS..Hα-helixtrans-61.6-49.4176.3-172.3157.3000109.9I30 A31 C185 L186 E187 R192 G193 E197 I200I30-L189 HydrophobicContact CG2-CD1 3.84Å; A31-L189 HydrophobicContact CB-CB 3.85Å; C185-L189 VanDerWaalsContact O-CB 3.25Å; C185-L189 WeakPolarHBondContact O-CB 3.36Å; C185-L189 PolarHBondContact O-N 2.79Å; L186-L189 WeakPolarHBondContact O-CB 3.28Å; L186-L189 PolarHBondContact O-N 3.25Å; E187-L189 VanDerWaalsContact C-N 3.35Å; E187-L189 PolarHBondContact O-N 3.48Å; L189-R192 PolarHBondContact O-N 3.26Å; L189-G193 PolarHBondContact O-N 2.9Å; L189-E197 HydrophobicContact CD1-CB 4.36Å; L189-E197 HydrophobicContact CD2-CB 3.94Å; L189-E197 WeakPolarHBondContact CD2-O 3.27Å; L189-E197 HydrophobicContact CG-CB 4.16Å; L189-I200 HydrophobicContact CD1-CB 4.2Å; L189-I200 HydrophobicContact CD1-CD1 4.09Å; L189-I200 HydrophobicContact CD1-CG2 4.35Å
190H93.6Very high93.7Very high94 Ų9458.5 Ų58.544%0.43529%0.285SS..Hα-helixtrans-63.1-43.6176.2-64.6157.4000111.7L186 E187 R192 G193L186-H190 PolarHBondContact O-N 2.98Å; E187-H190 PolarHBondContact O-N 3.43Å; H190-R192 VanDerWaalsContact C-N 3.28Å; H190-R192 PolarHBondContact O-N 2.91Å; H190-G193 PolarHBondContact O-N 3.17Å; H190-G193 VanDerWaalsContact O-N 3.14Å
191M92.1Very high93.6Very high128 Ų12862 Ų6263%0.63131%0.308SS*.Hα-helixtrans-60.8-34.2176.5-73.5-170-68.300113.3E187 R188 G193E187-M191 HydrophobicContact CG-CE 4.09Å; E187-M191 WeakPolarHBondContact O-CG 3.36Å; E187-M191 PolarHBondContact O-N 3.39Å; R188-M191 HydrophobicContact CB-CE 4.3Å; R188-M191 HydrophobicContact CG-CE 3.78Å; R188-M191 PolarHBondContact O-N 2.86Å; M191-G193 VanDerWaalsContact C-N 3.33Å
192R91.6Very high93.6Very high91 Ų9163.1 Ų63.134%0.34331%0.311SS..Hα-helixtrans-72.5-26.5178-173170.982.5170.9-0.6112.6R188 L189 H190 R194 E197R188-R192 WeakPolarHBondContact O-CB 3.31Å; R188-R192 PolarHBondContact O-N 2.89Å; L189-R192 PolarHBondContact O-N 3.26Å; H190-R192 VanDerWaalsContact C-N 3.28Å; H190-R192 PolarHBondContact O-N 2.91Å; R192-R194 HydrophobicContact CG-CG 4.33Å; R192-R194 VanDerWaalsContact NH1-CZ 3.34Å; R192-R194 PolarHBondContact O-N 3.47Å; R192-E197 IonicContact CZ-OE2 2.67Å; R192-E197 IonicContact NE-OE2 3.93Å; R192-E197 IonicContact NH2-OE1 3.22Å; R192-E197 PolarHBondContact NH2-OE1 3.37Å; R192-E197 IonicContact NH2-OE2 3.55Å; R192-E197 PolarHBondContact NH2-OE2 3.4Å
193G88.8Confident93.6Very high49 Ų4967.9 Ų67.951%0.50533%0.332SS..THydrogen-bonded Turntrans64.830169.600000115.5L189 H190 M191 E195L189-G193 PolarHBondContact O-N 2.9Å; H190-G193 PolarHBondContact O-N 3.17Å; H190-G193 VanDerWaalsContact O-N 3.14Å; M191-G193 VanDerWaalsContact C-N 3.33Å; G193-E195 PolarHBondContact O-N 2.95Å
194R89.6Confident93.5Very high70 Ų7064.8 Ų64.826%0.26432%0.316SS..  trans-73126.7171.3-73.3-168.1-172.5172.5-2.1109.7R192 E196 E197 Q198R192-R194 HydrophobicContact CG-CG 4.33Å; R192-R194 VanDerWaalsContact NH1-CZ 3.34Å; R192-R194 PolarHBondContact O-N 3.47Å; R194-E196 VanDerWaalsContact C-N 3.27Å; R194-E196 PolarHBondContact O-N 3.45Å; R194-E197 HydrophobicContact CB-CB 4.36Å; R194-E197 HydrophobicContact CB-CG 4.33Å; R194-E197 IonicContact NH1-OE1 2.78Å; R194-E197 PolarHBondContact O-N 3.31Å; R194-E197 VanDerWaalsContact O-N 3.16Å; R194-Q198 WeakPolarHBondContact O-CG 3.4Å; R194-Q198 PolarHBondContact O-N 2.75Å; R194-Q198 PolarHBondContact O-NE2 3.15Å
195E89.9Confident93.6Very high138 Ų13862.6 Ų62.665%0.64531%0.307SS*.G310 helixtrans-57.6-41.2-175.3-169.3-169.5142.900111.6K83 G193 E197K83-E195 IonicContact NZ-OE1 2.75Å; K83-E195 PolarHBondContact NZ-OE1 2.98Å; G193-E195 PolarHBondContact O-N 2.95Å; E195-E197 PolarHBondContact O-N 3.42Å
196E88.9Confident93.6Very high33 Ų3366.7 Ų66.715%0.15433%0.326CS..G310 helixtrans-68.3-19.2-176.3-52.789.7159.700113.6C59 N80 L82 K83 Y86 R194C59-E196 PolarHBondContact SG-OE1 2.79Å; C59-E196 VanDerWaalsContact SG-OE1 3.35Å; N80-E196 PolarHBondContact ND2-OE1 3.04Å; L82-E196 HydrophobicContact CD2-CB 4.4Å; L82-E196 HydrophobicContact CG-CB 4.4Å; K83-E196 HydrophobicContact CB-CB 4.35Å; K83-E196 HydrophobicContact CB-CG 3.7Å; K83-E196 HydrophobicContact CD-CG 4.49Å; K83-E196 HydrophobicContact CG-CG 4.29Å; Y86-E196 HydrophobicContact CD2-CB 4.3Å; Y86-E196 WeakPolarHBondContact CD2-O 3.42Å; R194-E196 VanDerWaalsContact C-N 3.27Å; R194-E196 PolarHBondContact O-N 3.45Å
197E90.1Very high93.7Very high9 Ų969.1 Ų69.14%0.04234%0.335CS..G310 helixtrans-106.1-10.7-172-65.4174.6163.600112.8Y86 L189 R192 R194 E195 E199 I200Y86-E197 HydrophobicContact CE2-CG 4.07Å; L189-E197 HydrophobicContact CD1-CB 4.36Å; L189-E197 HydrophobicContact CD2-CB 3.94Å; L189-E197 WeakPolarHBondContact CD2-O 3.27Å; L189-E197 HydrophobicContact CG-CB 4.16Å; R192-E197 IonicContact CZ-OE2 2.67Å; R192-E197 IonicContact NE-OE2 3.93Å; R192-E197 IonicContact NH2-OE1 3.22Å; R192-E197 PolarHBondContact NH2-OE1 3.37Å; R192-E197 IonicContact NH2-OE2 3.55Å; R192-E197 PolarHBondContact NH2-OE2 3.4Å; R194-E197 HydrophobicContact CB-CB 4.36Å; R194-E197 HydrophobicContact CB-CG 4.33Å; R194-E197 IonicContact NH1-OE1 2.78Å; R194-E197 PolarHBondContact O-N 3.31Å; R194-E197 VanDerWaalsContact O-N 3.16Å; E195-E197 PolarHBondContact O-N 3.42Å; E197-E199 PolarHBondContact O-N 2.85Å; E197-E199 VanDerWaalsContact O-N 3.14Å; E197-I200 HydrophobicContact CB-CD1 3.73Å; E197-I200 HydrophobicContact CG-CD1 3.9Å; E197-I200 WeakPolarHBondContact O-CB 3.11Å; E197-I200 VanDerWaalsContact O-CG1 3.27Å; E197-I200 WeakPolarHBondContact O-CG1 3.25Å; E197-I200 PolarHBondContact O-N 3.16Å; E197-I200 VanDerWaalsContact O-N 3.07Å
198Q87Confident93.8Very high73 Ų7365 Ų6534%0.34132%0.316SS..THydrogen-bonded Turntrans-60.6-28.5-171.4-66.7-52.4-72.600114.2R194 I200R194-Q198 WeakPolarHBondContact O-CG 3.4Å; R194-Q198 PolarHBondContact O-N 2.75Å; R194-Q198 PolarHBondContact O-NE2 3.15Å; Q198-I200 VanDerWaalsContact C-N 3.34Å
199E91.1Very high94Very high187 Ų18765.1 Ų65.187%0.87432%0.318SS*.THydrogen-bonded Turntrans-91.85.7-177.1-62.9-84.9121.900112.4E197 P201E197-E199 PolarHBondContact O-N 2.85Å; E197-E199 VanDerWaalsContact O-N 3.14Å; E199-P201 VanDerWaalsContact O-CD 3.31Å; E199-P201 WeakPolarHBondContact O-CD 3.33Å
200I93.4Very high94.2Very high8 Ų873 Ų734%0.04135%0.348CS..  trans-70118.9-178.7-67.4173.6000109.9I30 Y86 L189 E197 Q198 Y204 L205I30-I200 HydrophobicContact CD1-CD1 4.33Å; Y86-I200 HydrophobicContact CD1-CD1 4.11Å; Y86-I200 HydrophobicContact CD1-CG1 4.05Å; Y86-I200 HydrophobicContact CE1-CD1 3.46Å; Y86-I200 VanDerWaalsContact CE1-CD1 3.46Å; Y86-I200 HydrophobicContact CE1-CG1 3.84Å; Y86-I200 HydrophobicContact CE2-CD1 3.99Å; Y86-I200 WeakPolarHBondContact OH-CD1 3.4Å; L189-I200 HydrophobicContact CD1-CB 4.2Å; L189-I200 HydrophobicContact CD1-CD1 4.09Å; L189-I200 HydrophobicContact CD1-CG2 4.35Å; E197-I200 HydrophobicContact CB-CD1 3.73Å; E197-I200 HydrophobicContact CG-CD1 3.9Å; E197-I200 WeakPolarHBondContact O-CB 3.11Å; E197-I200 VanDerWaalsContact O-CG1 3.27Å; E197-I200 WeakPolarHBondContact O-CG1 3.25Å; E197-I200 PolarHBondContact O-N 3.16Å; E197-I200 VanDerWaalsContact O-N 3.07Å; Q198-I200 VanDerWaalsContact C-N 3.34Å; I200-Y204 HydrophobicContact CG2-CD1 3.64Å; I200-Y204 HydrophobicContact CG2-CE1 4.48Å; I200-Y204 HydrophobicContact CG2-CG 4.35Å; I200-L205 HydrophobicContact CG2-CD2 4.1Å; I200-L205 HydrophobicContact CG2-CG 4.15Å
201P95.9Very high94.4Very high77 Ų7769.3 Ų69.350%0.533%0.331SS..  trans-76.8155-178.931.5-34.6000111.8E199 E203 Y204 L205E199-P201 VanDerWaalsContact O-CD 3.31Å; E199-P201 WeakPolarHBondContact O-CD 3.33Å; P201-E203 VanDerWaalsContact C-N 3.26Å; P201-E203 PolarHBondContact O-N 2.95Å; P201-Y204 WeakPolarHBondContact O-CB 3.43Å; P201-Y204 PolarHBondContact O-N 3.02Å; P201-Y204 VanDerWaalsContact O-N 3.1Å; P201-L205 PolarHBondContact O-N 3.45Å
202L97.8Very high94.7Very high57 Ų5763.2 Ų63.230%0.29830%0.301SS..Hα-helixtrans-54.4-42.3175.2-177.960.4000112.1P182 E183 L186 Y204 L205 E206P182-L202 HydrophobicContact CB-CD1 3.72Å; E183-L202 HydrophobicContact CG-CD1 4.41Å; L186-L202 HydrophobicContact CB-CD1 4.43Å; L186-L202 HydrophobicContact CD2-CB 4.06Å; L186-L202 HydrophobicContact CD2-CD1 4.16Å; L202-Y204 PolarHBondContact O-N 2.97Å; L202-L205 CarbonylContact O-C 3.55Å; L202-L205 WeakPolarHBondContact O-CA 3.37Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 3.4Å; L202-E206 HydrophobicContact CD1-CG 4.49Å; L202-E206 HydrophobicContact CG-CG 4.24Å; L202-E206 WeakPolarHBondContact O-CG 3.42Å; L202-E206 PolarHBondContact O-N 3.49Å
203E98Very high95Very high112 Ų11259.9 Ų59.952%0.52329%0.289SS..Hα-helixtrans-55.7-37.2179.7-169.7-164.8148.200112.3P201 E206 K207P201-E203 VanDerWaalsContact C-N 3.26Å; P201-E203 PolarHBondContact O-N 2.95Å; E203-E206 PolarHBondContact O-N 3.47Å; E203-K207 WeakPolarHBondContact O-CG 3.36Å; E203-K207 PolarHBondContact O-N 3.04Å; E203-K207 WeakPolarHBondContact OE1-CE 3.28Å; E203-K207 IonicContact OE1-NZ 3.29Å; E203-K207 PolarHBondContact OE1-NZ 3.3Å
204Y97.8Very high95.5Very high36 Ų3658.2 Ų58.214%0.14127%0.27CS..Hα-helixtrans-65.5-42.9176.2-177.7-103.7000111I30 Y86 N140 I200 P201 L202 E206 K207 L208I30-Y204 HydrophobicContact CD1-CD1 4.46Å; I30-Y204 HydrophobicContact CD1-CE1 3.85Å; Y86-Y204 HydrophobicContact CE1-CE1 4.41Å; N140-Y204 VanDerWaalsContact ND2-CE2 3.26Å; N140-Y204 WeakPolarHBondContact ND2-CE2 3.29Å; I200-Y204 HydrophobicContact CG2-CD1 3.64Å; I200-Y204 HydrophobicContact CG2-CE1 4.48Å; I200-Y204 HydrophobicContact CG2-CG 4.35Å; P201-Y204 WeakPolarHBondContact O-CB 3.43Å; P201-Y204 PolarHBondContact O-N 3.02Å; P201-Y204 VanDerWaalsContact O-N 3.1Å; L202-Y204 PolarHBondContact O-N 2.97Å; Y204-E206 VanDerWaalsContact C-N 3.34Å; Y204-E206 PolarHBondContact O-N 3.08Å; Y204-K207 PolarHBondContact O-N 3.45Å; Y204-L208 HydrophobicContact CD1-CD1 4.01Å; Y204-L208 HydrophobicContact CD1-CG 4.48Å; Y204-L208 HydrophobicContact CE1-CD1 3.53Å; Y204-L208 HydrophobicContact CE1-CG 4.21Å; Y204-L208 WeakPolarHBondContact O-CG 3.4Å; Y204-L208 PolarHBondContact O-N 3.08Å; Y204-L208 VanDerWaalsContact O-N 3.12Å
205L98.4Very high95.9Very high0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-66.4-34.8176.2-60.8178.2000112.3N29 I30 P182 C185 L186 I200 P201 L202 L208 H209N29-L205 PolarHBondContact ND2-O 3.34Å; I30-L205 HydrophobicContact CB-CD2 3.89Å; I30-L205 HydrophobicContact CD1-CD2 4.18Å; I30-L205 HydrophobicContact CG1-CD2 4.36Å; P182-L205 HydrophobicContact CB-CB 4.18Å; C185-L205 HydrophobicContact CB-CD1 4.25Å; L186-L205 HydrophobicContact CB-CD1 3.75Å; L186-L205 HydrophobicContact CD1-CD1 3.92Å; L186-L205 HydrophobicContact CG-CD1 4.42Å; I200-L205 HydrophobicContact CG2-CD2 4.1Å; I200-L205 HydrophobicContact CG2-CG 4.15Å; P201-L205 PolarHBondContact O-N 3.45Å; L202-L205 CarbonylContact O-C 3.55Å; L202-L205 WeakPolarHBondContact O-CA 3.37Å; L202-L205 WeakPolarHBondContact O-CB 3.48Å; L202-L205 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 3.36Å; L205-H209 VanDerWaalsContact O-CB 3.28Å; L205-H209 WeakPolarHBondContact O-CB 3.47Å; L205-H209 PolarHBondContact O-N 3.07Å
206E98.7Very high96.3Very high86 Ų8649 Ų4940%0.40223%0.23SC..Hα-helixtrans-64.1-45.2174.7-70.8173.8155.800111.7P182 L202 E203 Y204 L208 H209 Y210P182-E206 HydrophobicContact CB-CG 3.81Å; P182-E206 HydrophobicContact CG-CB 4.47Å; P182-E206 HydrophobicContact CG-CG 3.9Å; L202-E206 HydrophobicContact CD1-CG 4.49Å; L202-E206 HydrophobicContact CG-CG 4.24Å; L202-E206 WeakPolarHBondContact O-CG 3.42Å; L202-E206 PolarHBondContact O-N 3.49Å; E203-E206 PolarHBondContact O-N 3.47Å; Y204-E206 VanDerWaalsContact C-N 3.34Å; Y204-E206 PolarHBondContact O-N 3.08Å; E206-L208 PolarHBondContact O-N 2.97Å; E206-H209 WeakPolarHBondContact O-CB 3.33Å; E206-H209 PolarHBondContact O-N 3.47Å; E206-Y210 PolarHBondContact O-N 3.44Å
207K98.5Very high96.7Very high84 Ų8451.5 Ų51.537%0.36524%0.241SC..Hα-helixtrans-59.6-46.4175.3-71174.9-176.1167.90111.7N140 E203 Y204 H209 Y210 K211N140-K207 WeakPolarHBondContact OD1-CB 3.33Å; E203-K207 WeakPolarHBondContact O-CG 3.36Å; E203-K207 PolarHBondContact O-N 3.04Å; E203-K207 WeakPolarHBondContact OE1-CE 3.28Å; E203-K207 IonicContact OE1-NZ 3.29Å; E203-K207 PolarHBondContact OE1-NZ 3.3Å; Y204-K207 PolarHBondContact O-N 3.45Å; K207-H209 VanDerWaalsContact C-N 3.33Å; K207-H209 PolarHBondContact O-N 3.1Å; K207-Y210 PolarHBondContact O-N 3.22Å; K207-K211 PolarHBondContact O-N 3.15Å; K207-K211 VanDerWaalsContact O-N 3.13Å
208L98.6Very high97Very high0 Ų055.5 Ų55.50%026%0.263CS..Hα-helixtrans-62.6-41175.5-65-176.3000111.6N29 I30 I136 F137 N140 Y204 L205 E206 K211 H212N29-L208 WeakPolarHBondContact OD1-CB 3.43Å; I30-L208 HydrophobicContact CD1-CD1 3.77Å; I30-L208 HydrophobicContact CG1-CD1 4.04Å; I136-L208 HydrophobicContact CG2-CD2 4.03Å; F137-L208 HydrophobicContact CD1-CD1 4.31Å; F137-L208 HydrophobicContact CD1-CD2 4.12Å; F137-L208 HydrophobicContact CE1-CD1 3.75Å; F137-L208 HydrophobicContact CE1-CD2 4.2Å; N140-L208 HydrophobicContact CB-CD2 4.08Å; Y204-L208 HydrophobicContact CD1-CD1 4.01Å; Y204-L208 HydrophobicContact CD1-CG 4.48Å; Y204-L208 HydrophobicContact CE1-CD1 3.53Å; Y204-L208 HydrophobicContact CE1-CG 4.21Å; Y204-L208 WeakPolarHBondContact O-CG 3.4Å; Y204-L208 PolarHBondContact O-N 3.08Å; Y204-L208 VanDerWaalsContact O-N 3.12Å; L205-L208 PolarHBondContact O-N 3.36Å; E206-L208 PolarHBondContact O-N 2.97Å; L208-K211 PolarHBondContact O-N 3.31Å; L208-H212 PolarHBondContact O-N 2.98Å; L208-H212 PolarHBondContact O-ND1 3.23Å
209H98.7Very high97.3Very high36 Ų3657.4 Ų57.417%0.16727%0.27CS..Hα-helixtrans-60.4-49.7177.5179.582.9000111.1A180 P182 L205 E206 K207 K211 H212 E213A180-H209 PolarHBondContact O-ND1 3.29Å; P182-H209 HydrophobicContact CG-CB 3.75Å; L205-H209 VanDerWaalsContact O-CB 3.28Å; L205-H209 WeakPolarHBondContact O-CB 3.47Å; L205-H209 PolarHBondContact O-N 3.07Å; E206-H209 WeakPolarHBondContact O-CB 3.33Å; E206-H209 PolarHBondContact O-N 3.47Å; K207-H209 VanDerWaalsContact C-N 3.33Å; K207-H209 PolarHBondContact O-N 3.1Å; H209-K211 VanDerWaalsContact C-N 3.27Å; H209-K211 PolarHBondContact O-N 3.27Å; H209-H212 PolarHBondContact O-N 3.01Å; H209-H212 VanDerWaalsContact O-N 3.08Å; H209-E213 WeakPolarHBondContact O-CG 3.45Å; H209-E213 PolarHBondContact O-N 3.09Å
210Y98.6Very high97.5Very high164 Ų16452.7 Ų52.764%0.64325%0.254SS*.Hα-helixtrans-57.1-40.2177.5179.5-98000112.6E206 K207 E213 S214E206-Y210 PolarHBondContact O-N 3.44Å; K207-Y210 PolarHBondContact O-N 3.22Å; Y210-E213 PolarHBondContact O-N 3.16Å; Y210-S214 WeakPolarHBondContact O-CB 3.25Å; Y210-S214 PolarHBondContact O-N 2.98Å
211K98.6Very high97.6Very high18 Ų1853.8 Ų53.88%0.07826%0.26CS..Hα-helixtrans-64.1-42.6175.3-75.3-174175.7-71.20112.6I136 N140 E143 K207 L208 H209 S214 W215 M221I136-K211 HydrophobicContact CD1-CB 3.67Å; I136-K211 HydrophobicContact CG2-CB 4.25Å; I136-K211 WeakPolarHBondContact O-CD 3.28Å; N140-K211 HydrophobicContact CB-CD 3.93Å; E143-K211 IonicContact OE1-NZ 2.7Å; E143-K211 PolarHBondContact OE1-NZ 2.92Å; E143-K211 WeakPolarHBondContact OE2-CE 3.19Å; E143-K211 IonicContact OE2-NZ 3.51Å; E143-K211 PolarHBondContact OE2-NZ 3.4Å; K207-K211 PolarHBondContact O-N 3.15Å; K207-K211 VanDerWaalsContact O-N 3.13Å; L208-K211 PolarHBondContact O-N 3.31Å; H209-K211 VanDerWaalsContact C-N 3.27Å; H209-K211 PolarHBondContact O-N 3.27Å; K211-S214 PolarHBondContact O-N 3.36Å; K211-W215 WeakPolarHBondContact O-CB 3.06Å; K211-W215 PolarHBondContact O-N 3.05Å; K211-M221 HydrophobicContact CB-CE 3.98Å; K211-M221 HydrophobicContact CG-CE 4.26Å; K211-M221 WeakPolarHBondContact O-CE 3.49Å
212H98.7Very high97.4Very high0 Ų057.7 Ų57.70%028%0.276CS..Hα-helixtrans-63.6-42.3174.4-71.987.5000111.6G28 I136 Y177 L208 H209 W215 L216G28-H212 VanDerWaalsContact C-NE2 3.34Å; G28-H212 PolarHBondContact O-NE2 3.5Å; I136-H212 VanDerWaalsContact CG2-CE1 3.46Å; I136-H212 WeakPolarHBondContact CG2-CE1 3.39Å; Y177-H212 HydrophobicContact CE2-CB 3.87Å; L208-H212 PolarHBondContact O-N 2.98Å; L208-H212 PolarHBondContact O-ND1 3.23Å; H209-H212 PolarHBondContact O-N 3.01Å; H209-H212 VanDerWaalsContact O-N 3.08Å; H212-W215 PolarHBondContact O-N 3.35Å; H212-L216 WeakPolarHBondContact O-CB 3.34Å; H212-L216 PolarHBondContact O-N 3.38Å
213E98.6Very high97.2Very high20 Ų2056.7 Ų56.79%0.09327%0.271CS..Iπ-helixtrans-61.7-44.8177.3-68.5-72.8105.900111.4Y177 R179 H209 Y210 W215 Q217 N218Y177-E213 WeakPolarHBondContact CE1-OE1 3.46Å; Y177-E213 PolarHBondContact OH-OE1 3.09Å; Y177-E213 VanDerWaalsContact OH-OE1 3.11Å; R179-E213 IonicContact CZ-OE1 2.8Å; R179-E213 IonicContact CZ-OE2 3.99Å; R179-E213 IonicContact NE-OE1 3.76Å; R179-E213 PolarHBondContact NE-OE1 3.45Å; R179-E213 IonicContact NE-OE2 3.72Å; R179-E213 PolarHBondContact NE-OE2 3.38Å; R179-E213 IonicContact NH2-OE1 2.81Å; R179-E213 IonicContact NH2-OE2 3.4Å; R179-E213 PolarHBondContact NH2-OE2 2.94Å; H209-E213 WeakPolarHBondContact O-CG 3.45Å; H209-E213 PolarHBondContact O-N 3.09Å; Y210-E213 PolarHBondContact O-N 3.16Å; E213-W215 VanDerWaalsContact C-N 3.31Å; E213-W215 PolarHBondContact O-N 2.55Å; E213-Q217 WeakPolarHBondContact O-CB 3.4Å; E213-Q217 PolarHBondContact O-N 2.86Å; E213-Q217 VanDerWaalsContact O-N 3.13Å; E213-N218 PolarHBondContact O-N 3.42Å
214S98.2Very high96.9Very high14 Ų1457.1 Ų57.110%0.09827%0.273CS..Iπ-helixtrans-61.8-38.5176.8-1760000112.3Y210 K211 K219 T220 M221Y210-S214 WeakPolarHBondContact O-CB 3.25Å; Y210-S214 PolarHBondContact O-N 2.98Å; K211-S214 PolarHBondContact O-N 3.36Å; S214-K219 CarbonylContact O-C 3.57Å; S214-K219 WeakPolarHBondContact O-CA 3.13Å; S214-K219 PolarHBondContact O-N 3.43Å; S214-T220 PolarHBondContact O-N 3.44Å; S214-T220 PolarHBondContact O-OG1 3.37Å; S214-T220 PolarHBondContact OG-OG1 2.97Å; S214-M221 PolarHBondContact O-N 3.45Å; S214-M221 PolarHBondContact OG-N 2.87Å
215W98.1Very high96.6Very high9 Ų956.4 Ų56.43%0.03427%0.27CS..Iπ-helixtrans-76.1-57.2179.1177.624.7000112.9E27 I136 I175 K211 H212 E213 M221 M223E27-W215 HydrophobicContact CG-CH2 3.92Å; E27-W215 HydrophobicContact CG-CZ3 3.92Å; E27-W215 WeakPolarHBondContact OE1-CH2 3.43Å; I136-W215 HydrophobicContact CD1-CB 4.38Å; I136-W215 HydrophobicContact CD1-CE3 3.81Å; I136-W215 HydrophobicContact CG1-CE3 3.88Å; I136-W215 HydrophobicContact CG1-CZ3 4.14Å; I175-W215 HydrophobicContact CD1-CZ2 3.95Å; K211-W215 WeakPolarHBondContact O-CB 3.06Å; K211-W215 PolarHBondContact O-N 3.05Å; H212-W215 PolarHBondContact O-N 3.35Å; E213-W215 VanDerWaalsContact C-N 3.31Å; E213-W215 PolarHBondContact O-N 2.55Å; W215-M221 HydrophobicContact CB-CB 4.27Å; W215-M221 HydrophobicContact CB-CE 4.16Å; W215-M221 HydrophobicContact CB-SD 3.88Å; W215-M221 HydrophobicContact CG-SD 4.37Å; W215-M223 HydrophobicContact CG-SD 4.31Å; W215-M223 PolarHBondContact NE1-SD 3.48Å; W215-M223 VanDerWaalsContact NE1-SD 3.38Å
216L98.1Very high96.2Very high6 Ų664.2 Ų64.23%0.03131%0.307CS..Iπ-helixtrans-98.5-28.6-161.1-60.5174.4000113.4E27 I175 Y177 H212 V233E27-L216 HydrophobicContact CB-CD1 3.58Å; E27-L216 HydrophobicContact CG-CD1 4.24Å; I175-L216 HydrophobicContact CD1-CD2 3.93Å; I175-L216 HydrophobicContact CG2-CD1 4.49Å; I175-L216 HydrophobicContact CG2-CD2 3.84Å; Y177-L216 HydrophobicContact CD1-CB 3.97Å; Y177-L216 HydrophobicContact CD1-CD1 4.37Å; Y177-L216 HydrophobicContact CD2-CD1 3.58Å; Y177-L216 HydrophobicContact CE2-CD1 4.2Å; Y177-L216 HydrophobicContact CG-CB 4.05Å; Y177-L216 HydrophobicContact CG-CD1 3.69Å; H212-L216 WeakPolarHBondContact O-CB 3.34Å; H212-L216 PolarHBondContact O-N 3.38Å; L216-V233 HydrophobicContact CB-CG1 4.33Å
217Q96.8Very high96Very high85 Ų8563.2 Ų63.240%0.39730%0.3SS..Iπ-helixtrans-99-52-176.7-175.262.748.400111.6E213E213-Q217 WeakPolarHBondContact O-CB 3.4Å; E213-Q217 PolarHBondContact O-N 2.86Å; E213-Q217 VanDerWaalsContact O-N 3.13Å
218N96.4Very high95.8Very high93 Ų9359.5 Ų59.550%0.49728%0.284SS..SBendtrans-93-17.6-174-60.2-31.1000112.9E213 T220E213-N218 PolarHBondContact O-N 3.42Å; N218-T220 HydrophobicContact CB-CG2 4.08Å; N218-T220 PolarHBondContact O-N 2.87Å
219K94.2Very high95.4Very high113 Ų11362.5 Ų62.549%0.49131%0.305SS..  trans51.140.6-176.7-60.9-168.2168.9-159.80113.2S214 S229S214-K219 CarbonylContact O-C 3.57Å; S214-K219 WeakPolarHBondContact O-CA 3.13Å; S214-K219 PolarHBondContact O-N 3.43Å; K219-S229 PolarHBondContact NZ-O 3.03Å
220T95.6Very high95.2Very high88 Ų8867.3 Ų67.354%0.5433%0.332SS..  trans-102.7-7.2-179.7500000113.7S214 N218 N222S214-T220 PolarHBondContact O-N 3.44Å; S214-T220 PolarHBondContact O-OG1 3.37Å; S214-T220 PolarHBondContact OG-OG1 2.97Å; N218-T220 HydrophobicContact CB-CG2 4.08Å; N218-T220 PolarHBondContact O-N 2.87Å; T220-N222 PolarHBondContact O-N 3.41Å
221M94.9Very high95.1Very high31 Ų3159.9 Ų59.915%0.15330%0.304CS..  trans-74.8123.5-180-173.9171.3-75.400111Y135 I136 K211 S214 W215 M223Y135-M221 HydrophobicContact CG-SD 4.44Å; I136-M221 HydrophobicContact CD1-CE 4.05Å; I136-M221 HydrophobicContact CD1-SD 4.42Å; K211-M221 HydrophobicContact CB-CE 3.98Å; K211-M221 HydrophobicContact CG-CE 4.26Å; K211-M221 WeakPolarHBondContact O-CE 3.49Å; S214-M221 PolarHBondContact O-N 3.45Å; S214-M221 PolarHBondContact OG-N 2.87Å; W215-M221 HydrophobicContact CB-CB 4.27Å; W215-M221 HydrophobicContact CB-CE 4.16Å; W215-M221 HydrophobicContact CB-SD 3.88Å; W215-M221 HydrophobicContact CG-SD 4.37Å; M221-M223 HydrophobicContact CG-CG 4.11Å; M221-M223 PolarHBondContact O-N 3.45Å
222N91.7Very high95.1Very high159 Ų15961.6 Ų61.685%0.8532%0.317SS*.  trans-73.7118.6173.1-67.5-26.9000109.8T220T220-N222 PolarHBondContact O-N 3.41Å
223M93.4Very high95.1Very high37 Ų3763.5 Ų63.518%0.18233%0.328CS..  trans-124.8147.2179.6-63.4178.6-70.700110Y135 W215 M221 F225 L228Y135-M223 HydrophobicContact CD1-CG 3.97Å; Y135-M223 HydrophobicContact CD2-CG 4.1Å; Y135-M223 HydrophobicContact CD2-SD 4.13Å; Y135-M223 HydrophobicContact CE1-CB 3.99Å; Y135-M223 HydrophobicContact CE1-CG 3.93Å; Y135-M223 HydrophobicContact CE2-CB 4.16Å; Y135-M223 HydrophobicContact CE2-CG 4.07Å; Y135-M223 HydrophobicContact CE2-SD 4.34Å; Y135-M223 HydrophobicContact CG-CG 4.06Å; Y135-M223 HydrophobicContact CG-SD 4.45Å; W215-M223 HydrophobicContact CG-SD 4.31Å; W215-M223 PolarHBondContact NE1-SD 3.48Å; W215-M223 VanDerWaalsContact NE1-SD 3.38Å; M221-M223 HydrophobicContact CG-CG 4.11Å; M221-M223 PolarHBondContact O-N 3.45Å; M223-F225 VanDerWaalsContact C-N 3.3Å; M223-F225 PolarHBondContact O-N 2.93Å; M223-L228 HydrophobicContact CE-CB 3.73Å; M223-L228 HydrophobicContact CE-CD1 4.25Å; M223-L228 HydrophobicContact SD-CB 4.31Å; M223-L228 HydrophobicContact SD-CD1 3.72Å
224E92.2Very high95.1Very high120 Ų12063.9 Ų63.956%0.56133%0.331SS*.SBendtrans-69.1-29.5178.6-170.6-176.2162.600112.3R134 Y135 E226R134-E224 IonicContact CZ-OE2 2.77Å; R134-E224 IonicContact NH1-OE2 3.72Å; R134-E224 PolarHBondContact NH1-OE2 2.94Å; R134-E224 IonicContact NH2-OE2 2.79Å; R134-E224 PolarHBondContact NH2-OE2 3.38Å; Y135-E224 WeakPolarHBondContact OH-CB 3.43Å; Y135-E224 PolarHBondContact OH-N 2.89Å; E224-E226 PolarHBondContact O-N 2.91Å
225F91.7Very high95.1Very high22 Ų2265.7 Ų65.710%0.09634%0.341CS..  trans-91.190.8-178.3-47.2-76.9000109.9Y131 Y135 H159 H163 M223 Y227 L228Y131-F225 AromaticContact CD1-CD2 3.87Å; Y131-F225 HydrophobicContact CD1-CD2 3.87Å; Y131-F225 HydrophobicContact CD1-CE2 4.24Å; Y131-F225 AromaticContact CE1-CD2 3.88Å; Y131-F225 HydrophobicContact CE1-CD2 3.88Å; Y131-F225 HydrophobicContact CE1-CE2 4.28Å; Y131-F225 HydrophobicContact CE1-CG 4.17Å; Y135-F225 AromaticContact CE2-CD2 3.78Å; Y135-F225 HydrophobicContact CE2-CD2 3.78Å; Y135-F225 AromaticContact CE2-CE2 3.88Å; Y135-F225 HydrophobicContact CE2-CE2 3.88Å; Y135-F225 AromaticContact CZ-CD2 3.93Å; Y135-F225 AromaticContact CZ-CE2 3.95Å; Y135-F225 WeakPolarHBondContact OH-CD2 3.41Å; Y135-F225 WeakPolarHBondContact OH-CE2 3.41Å; H159-F225 AromaticContact CE1-CE2 3.44Å; H159-F225 VanDerWaalsContact CE1-CE2 3.44Å; H159-F225 WeakPolarHBondContact CE1-CE2 3.45Å; H159-F225 AromaticContact CE1-CZ 3.58Å; H159-F225 AromaticContact ND1-CE2 3.87Å; H159-F225 AromaticContact ND1-CZ 3.65Å; H163-F225 HydrophobicContact CB-CE1 3.83Å; H163-F225 HydrophobicContact CB-CZ 4.01Å; H163-F225 AromaticContact CD2-CD1 3.9Å; H163-F225 AromaticContact CD2-CE1 3.59Å; H163-F225 AromaticContact CD2-CZ 3.94Å; H163-F225 AromaticContact CE1-CD1 3.6Å; H163-F225 AromaticContact CE1-CE1 3.78Å; H163-F225 AromaticContact CG-CD1 3.94Å; H163-F225 AromaticContact CG-CE1 3.32Å; H163-F225 AromaticContact CG-CZ 3.84Å; H163-F225 AromaticContact ND1-CD1 3.75Å; H163-F225 AromaticContact ND1-CE1 3.44Å; H163-F225 WeakPolarHBondContact ND1-CE1 3.28Å; H163-F225 AromaticContact NE2-CD1 3.68Å; H163-F225 AromaticContact NE2-CE1 3.87Å; M223-F225 VanDerWaalsContact C-N 3.3Å; M223-F225 PolarHBondContact O-N 2.93Å; F225-Y227 HydrophobicContact CB-CD1 4Å; F225-Y227 HydrophobicContact CB-CE1 3.87Å; F225-Y227 PolarHBondContact O-N 2.87Å; F225-Y227 VanDerWaalsContact O-N 3.15Å; F225-L228 HydrophobicContact CB-CD1 3.81Å; F225-L228 HydrophobicContact CB-CG 4.03Å; F225-L228 HydrophobicContact CD2-CD1 4.13Å; F225-L228 HydrophobicContact CG-CD1 4.43Å; F225-L228 WeakPolarHBondContact O-CB 3.29Å; F225-L228 PolarHBondContact O-N 2.84Å; F225-L228 VanDerWaalsContact O-N 3.08Å
226E89.8Confident95.1Very high163 Ų16365.6 Ų65.676%0.76234%0.341SS*.G310 helixtrans-52.8-38.9-172.7-66.6-177.1171.400113.4E224 L228 S229E224-E226 PolarHBondContact O-N 2.91Å; E226-L228 PolarHBondContact O-N 3.03Å; E226-L228 VanDerWaalsContact O-N 3.08Å; E226-S229 WeakPolarHBondContact O-CB 3.46Å; E226-S229 PolarHBondContact O-N 3.05Å; E226-S229 PolarHBondContact O-OG 3.02Å
227Y93.7Very high95.1Very high65 Ų6569.1 Ų69.126%0.25536%0.36SS..G310 helixtrans-57.7-27-177.889.5-87.2000113.3Y131 E171 F225 S229 D230 V231Y131-Y227 WeakPolarHBondContact CE2-OH 3.27Å; Y131-Y227 PolarHBondContact OH-OH 3.36Å; E171-Y227 HydrophobicContact CG-CE1 4.1Å; E171-Y227 HydrophobicContact CG-CE2 4.44Å; F225-Y227 HydrophobicContact CB-CD1 4Å; F225-Y227 HydrophobicContact CB-CE1 3.87Å; F225-Y227 PolarHBondContact O-N 2.87Å; F225-Y227 VanDerWaalsContact O-N 3.15Å; Y227-S229 PolarHBondContact O-N 3.38Å; Y227-S229 VanDerWaalsContact O-N 3.17Å; Y227-D230 PolarHBondContact O-N 2.83Å; Y227-D230 VanDerWaalsContact O-N 3.08Å; Y227-V231 HydrophobicContact CD2-CG2 3.74Å; Y227-V231 HydrophobicContact CE2-CG2 3.65Å; Y227-V231 PolarHBondContact O-N 3.46Å
228L94.6Very high95.1Very high6 Ų665.1 Ų65.13%0.03134%0.341CS..G310 helixtrans-60.7-24.7178.1-69.8174.4000113Y131 Y135 M223 F225 E226 D230 V231Y131-L228 HydrophobicContact CD1-CD1 3.49Å; Y131-L228 VanDerWaalsContact CD1-CD1 3.49Å; Y131-L228 HydrophobicContact CD1-CD2 4.13Å; Y131-L228 HydrophobicContact CD1-CG 4.32Å; Y131-L228 HydrophobicContact CD2-CD2 3.95Å; Y131-L228 HydrophobicContact CE1-CD1 3.99Å; Y131-L228 HydrophobicContact CE1-CD2 4.2Å; Y131-L228 HydrophobicContact CE1-CG 4.45Å; Y131-L228 HydrophobicContact CE2-CD2 4.09Å; Y131-L228 HydrophobicContact CG-CD1 3.83Å; Y131-L228 HydrophobicContact CG-CD2 4.01Å; Y135-L228 HydrophobicContact CE2-CD1 4.48Å; M223-L228 HydrophobicContact CE-CB 3.73Å; M223-L228 HydrophobicContact CE-CD1 4.25Å; M223-L228 HydrophobicContact SD-CB 4.31Å; M223-L228 HydrophobicContact SD-CD1 3.72Å; F225-L228 HydrophobicContact CB-CD1 3.81Å; F225-L228 HydrophobicContact CB-CG 4.03Å; F225-L228 HydrophobicContact CD2-CD1 4.13Å; F225-L228 HydrophobicContact CG-CD1 4.43Å; F225-L228 WeakPolarHBondContact O-CB 3.29Å; F225-L228 PolarHBondContact O-N 2.84Å; F225-L228 VanDerWaalsContact O-N 3.08Å; E226-L228 PolarHBondContact O-N 3.03Å; E226-L228 VanDerWaalsContact O-N 3.08Å; L228-D230 PolarHBondContact O-N 2.78Å; L228-V231 HydrophobicContact CD2-CG2 4.42Å; L228-V231 PolarHBondContact O-N 3.26Å
229S91.5Very high95Very high64 Ų6462.6 Ų62.645%0.44833%0.328SS..G310 helixtrans-65-32.8178-50.20000111.7K219 E226 Y227K219-S229 PolarHBondContact NZ-O 3.03Å; E226-S229 WeakPolarHBondContact O-CB 3.46Å; E226-S229 PolarHBondContact O-N 3.05Å; E226-S229 PolarHBondContact O-OG 3.02Å; Y227-S229 PolarHBondContact O-N 3.38Å; Y227-S229 VanDerWaalsContact O-N 3.17Å
230D93.8Very high94.8Very high137 Ų13762.3 Ų62.373%0.73333%0.332SS*.THydrogen-bonded Turntrans-94.4-13.3-176.2-62-40.2000112.9Y227 L228 P232Y227-D230 PolarHBondContact O-N 2.83Å; Y227-D230 VanDerWaalsContact O-N 3.08Å; L228-D230 PolarHBondContact O-N 2.78Å; D230-P232 WeakPolarHBondContact O-CD 3.4Å
231V97.4Very high94.2Very high7 Ų761.2 Ų61.24%0.04232%0.323CS..SBendtrans-58.5126.3177.1176.80000109.8I175 Y227 L228I175-V231 HydrophobicContact CD1-CG1 4.01Å; I175-V231 HydrophobicContact CG1-CG1 3.9Å; Y227-V231 HydrophobicContact CD2-CG2 3.74Å; Y227-V231 HydrophobicContact CE2-CG2 3.65Å; Y227-V231 PolarHBondContact O-N 3.46Å; L228-V231 HydrophobicContact CD2-CG2 4.42Å; L228-V231 PolarHBondContact O-N 3.26Å
232P98.3Very high93.9Very high55 Ų5560 Ų6036%0.35732%0.316SS..  trans-61.5139.5176.1-2636.3000112.2D173 I175 D230 F259 L263D173-P232 WeakPolarHBondContact O-CD 3.3Å; I175-P232 PolarHBondContact N-O 2.79Å; D230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-F259 HydrophobicContact CB-CE2 3.64Å; P232-F259 HydrophobicContact CB-CZ 3.9Å; P232-L263 HydrophobicContact CB-CD2 3.9Å; P232-L263 HydrophobicContact CG-CD2 3.73Å
233V98.6Very high93.5Very high39 Ų3959.3 Ų59.324%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-124118.8179.6-173.50000110.2I175 L216I175-V233 HydrophobicContact CB-CG1 4.48Å; I175-V233 HydrophobicContact CB-CG2 4.28Å; I175-V233 HydrophobicContact CG2-CG1 4.46Å; I175-V233 CarbonylContact O-C 3.57Å; I175-V233 VanDerWaalsContact O-CA 3.29Å; I175-V233 WeakPolarHBondContact O-CA 3.48Å; L216-V233 HydrophobicContact CB-CG1 4.33Å
234L98.7Very high93Very high28 Ų2865.3 Ų65.315%0.14733%0.334CS..EExtended strand (participates in β ladder)trans-91.2115.9166.4174.664.9000109.3I175 I176 Y177 L236 K255 V256 F259I175-L234 PolarHBondContact O-N 2.88Å; I176-L234 CarbonylContact C-O 3.53Å; I176-L234 WeakPolarHBondContact CA-O 3.49Å; I176-L234 HydrophobicContact CG1-CB 4.36Å; I176-L234 HydrophobicContact CG1-CD2 4.33Å; Y177-L234 PolarHBondContact N-O 3.48Å; L234-L236 HydrophobicContact CD1-CD2 4.17Å; L234-L236 HydrophobicContact CD2-CD1 4.39Å; L234-L236 HydrophobicContact CD2-CD2 4.11Å; L234-L236 HydrophobicContact CD2-CG 4.28Å; L234-L236 HydrophobicContact CG-CD2 4.04Å; L234-L236 HydrophobicContact CG-CG 4.18Å; L234-K255 HydrophobicContact CD2-CB 4.41Å; L234-V256 HydrophobicContact CD2-CG2 3.95Å; L234-F259 HydrophobicContact CB-CB 4.29Å; L234-F259 HydrophobicContact CB-CD1 3.95Å; L234-F259 HydrophobicContact CB-CD2 3.81Å; L234-F259 HydrophobicContact CB-CE1 4.18Å; L234-F259 HydrophobicContact CB-CE2 4.04Å; L234-F259 HydrophobicContact CB-CG 3.75Å; L234-F259 HydrophobicContact CB-CZ 4.22Å; L234-F259 HydrophobicContact CD2-CB 3.84Å; L234-F259 HydrophobicContact CD2-CD1 4.3Å; L234-F259 HydrophobicContact CD2-CG 4.12Å; L234-F259 HydrophobicContact CG-CB 4.45Å; L234-F259 HydrophobicContact CG-CG 4.43Å
235T98.6Very high92.8Very high52 Ų5263 Ų6332%0.31933%0.325SS..EExtended strand (participates in β ladder)trans-96.6125.9175-61.80000110.8Y177 R179Y177-T235 HydrophobicContact CD1-CG2 3.9Å; R179-T235 HydrophobicContact CB-CG2 3.93Å
236L98.1Very high92.6Very high7 Ų768.4 Ų68.44%0.03736%0.355CS..EExtended strand (participates in β ladder)trans-116.7118.8176.6-59.7178.8000109.7F37 I176 Y177 L178 R179 L234 V238 M252 K255 V256F37-L236 HydrophobicContact CE1-CD1 4.22Å; F37-L236 HydrophobicContact CE2-CD1 4.42Å; F37-L236 HydrophobicContact CZ-CD1 3.79Å; I176-L236 HydrophobicContact CG2-CD1 3.86Å; I176-L236 HydrophobicContact CG2-CG 4.3Å; Y177-L236 PolarHBondContact O-N 3.17Å; L178-L236 HydrophobicContact CD2-CB 4.03Å; L178-L236 HydrophobicContact CD2-CD1 3.98Å; L178-L236 HydrophobicContact CD2-CG 4.5Å; R179-L236 PolarHBondContact N-O 3.12Å; L234-L236 HydrophobicContact CD1-CD2 4.17Å; L234-L236 HydrophobicContact CD2-CD1 4.39Å; L234-L236 HydrophobicContact CD2-CD2 4.11Å; L234-L236 HydrophobicContact CD2-CG 4.28Å; L234-L236 HydrophobicContact CG-CD2 4.04Å; L234-L236 HydrophobicContact CG-CG 4.18Å; L236-V238 HydrophobicContact CB-CG1 4.4Å; L236-V238 PolarHBondContact O-N 2.89Å; L236-M252 HydrophobicContact CB-CE 4.34Å; L236-M252 HydrophobicContact CD1-CB 4.4Å; L236-M252 HydrophobicContact CD1-CE 3.89Å; L236-K255 HydrophobicContact CD2-CB 4.21Å; L236-K255 HydrophobicContact CD2-CD 3.93Å; L236-V256 HydrophobicContact CD1-CG2 4.47Å
237D96.9Very high92.6Very high81 Ų8165 Ų6543%0.43335%0.349SS..EExtended strand (participates in β ladder)trans-74.3114.3171.5-169.2-46.9000110.1N239 K248D237-N239 WeakPolarHBondContact OD1-CB 3.41Å; D237-N239 PolarHBondContact OD1-N 2.88Å; D237-N239 PolarHBondContact OD1-ND2 3.16Å; D237-N239 PolarHBondContact OD2-ND2 3.13Å; D237-K248 PolarHBondContact O-NZ 3.29Å
238V96.8Very high92.5Very high0 Ų063.6 Ų63.60%034%0.344CS..  trans-115.931.1-178.8-61.60000111.8A32 L178 R179 A180 R188 L236 F242 M252A32-V238 WeakPolarHBondContact O-CG2 3.45Å; L178-V238 HydrophobicContact CB-CG2 3.99Å; L178-V238 HydrophobicContact CD2-CG1 4.14Å; R179-V238 WeakPolarHBondContact O-CG2 3.02Å; R179-V238 PolarHBondContact O-N 2.93Å; A180-V238 HydrophobicContact CB-CG2 4.09Å; R188-V238 PolarHBondContact NH1-O 3.3Å; R188-V238 PolarHBondContact NH2-O 3.24Å; L236-V238 HydrophobicContact CB-CG1 4.4Å; L236-V238 PolarHBondContact O-N 2.89Å; V238-F242 HydrophobicContact CB-CD1 3.93Å; V238-F242 HydrophobicContact CB-CE1 3.89Å; V238-F242 HydrophobicContact CG1-CD1 3.93Å; V238-F242 HydrophobicContact CG1-CE1 3.93Å; V238-M252 HydrophobicContact CG1-CE 3.44Å; V238-M252 VanDerWaalsContact CG1-CE 3.44Å; V238-M252 HydrophobicContact CG1-SD 4.28Å
239N95.1Very high92.4Very high40 Ų4063.9 Ų63.921%0.21435%0.347CS..SBendtrans-65.5-46.1173.3-75.4-72.7000111.8S181 K184 R188 D237S181-N239 WeakPolarHBondContact CB-OD1 3.26Å; S181-N239 PolarHBondContact N-OD1 3.49Å; S181-N239 PolarHBondContact OG-OD1 3.37Å; K184-N239 WeakPolarHBondContact CD-O 3.2Å; K184-N239 WeakPolarHBondContact CE-O 3.47Å; R188-N239 PolarHBondContact NH2-O 3.01Å; D237-N239 WeakPolarHBondContact OD1-CB 3.41Å; D237-N239 PolarHBondContact OD1-N 2.88Å; D237-N239 PolarHBondContact OD1-ND2 3.16Å; D237-N239 PolarHBondContact OD2-ND2 3.13Å
240D90.4Very high92.5Very high107 Ų10763.7 Ų63.757%0.57235%0.35SS*.SBendtrans-73.8147.7171.2-31.4-66000111.1F242 K248D240-F242 PolarHBondContact O-N 3.33Å; D240-F242 VanDerWaalsContact O-N 3.15Å; D240-K248 HydrophobicContact CB-CD 4.4Å; D240-K248 VanDerWaalsContact CB-NZ 3.26Å; D240-K248 PolarHBondContact O-NZ 3.46Å; D240-K248 IonicContact OD2-NZ 3.71Å; D240-K248 PolarHBondContact OD2-NZ 3.4Å
241D82.6Confident92.5Very high65 Ų6560.2 Ų60.235%0.34833%0.331SS..  trans-63.9113.4177.7-170.20.6000111K243 Q244D241-K243 WeakPolarHBondContact OD1-CB 3.34Å; D241-K243 PolarHBondContact OD1-N 2.72Å; D241-Q244 PolarHBondContact OD2-NE2 3Å
242F88.9Confident92.5Very high5 Ų560.1 Ų60.12%0.02233%0.33CS..  trans-88.9-19.9173.863.3-91.2000112.3T36 F37 L40 V238 D240 Q244 N245 K248 S249 M252T36-F242 HydrophobicContact CG2-CE2 3.83Å; T36-F242 HydrophobicContact CG2-CZ 4.22Å; F37-F242 HydrophobicContact CB-CE2 4.13Å; F37-F242 HydrophobicContact CB-CZ 4.1Å; F37-F242 HydrophobicContact CD2-CE2 4.26Å; L40-F242 HydrophobicContact CD1-CD2 3.91Å; L40-F242 HydrophobicContact CD1-CE2 3.95Å; V238-F242 HydrophobicContact CB-CD1 3.93Å; V238-F242 HydrophobicContact CB-CE1 3.89Å; V238-F242 HydrophobicContact CG1-CD1 3.93Å; V238-F242 HydrophobicContact CG1-CE1 3.93Å; D240-F242 PolarHBondContact O-N 3.33Å; D240-F242 VanDerWaalsContact O-N 3.15Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 2.63Å; F242-N245 PolarHBondContact O-N 3.28Å; F242-K248 HydrophobicContact CB-CB 4.48Å; F242-K248 HydrophobicContact CB-CD 4.11Å; F242-K248 HydrophobicContact CB-CG 4.1Å; F242-S249 PolarHBondContact O-OG 3.33Å; F242-M252 HydrophobicContact CB-SD 3.64Å; F242-M252 HydrophobicContact CD1-CE 4.36Å; F242-M252 HydrophobicContact CD1-SD 4.27Å; F242-M252 HydrophobicContact CD2-CE 4.43Å; F242-M252 HydrophobicContact CD2-SD 4.22Å; F242-M252 HydrophobicContact CG-CE 4.26Å; F242-M252 HydrophobicContact CG-SD 3.8Å
243K83.5Confident92.4Very high146 Ų14657.7 Ų57.764%0.63531%0.314SS*.SBendtrans-64.4-35.9-175.6-172.7-176.7175-172.60112.5T36 D241T36-K243 HydrophobicContact CG2-CB 4.05Å; T36-K243 HydrophobicContact CG2-CD 4.08Å; T36-K243 HydrophobicContact CG2-CG 3.88Å; D241-K243 WeakPolarHBondContact OD1-CB 3.34Å; D241-K243 PolarHBondContact OD1-N 2.72Å
244Q82.4Confident92.3Very high162 Ų16262.2 Ų62.276%0.75733%0.333SS*.SBendtrans-98.8-6.7-179.4-60.6-177.244.900113D241 F242D241-Q244 PolarHBondContact OD2-NE2 3Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 2.63Å
245N88.3Confident92.3Very high73 Ų7364.7 Ų64.739%0.3934%0.342SS..  trans-108.693.4-177-173.4-19.8000109.8F242 S247 K248 S249F242-N245 PolarHBondContact O-N 3.28Å; N245-S247 PolarHBondContact O-N 2.75Å; N245-S247 WeakPolarHBondContact OD1-CB 3.48Å; N245-S247 PolarHBondContact OD1-N 2.86Å; N245-S247 VanDerWaalsContact OD1-N 3.16Å; N245-K248 HydrophobicContact CB-CB 3.94Å; N245-K248 PolarHBondContact O-N 3.35Å; N245-K248 VanDerWaalsContact O-N 3.08Å; N245-K248 PolarHBondContact OD1-N 3.15Å; N245-K248 VanDerWaalsContact OD1-N 3.07Å; N245-S249 PolarHBondContact O-N 3.39Å
246N86.9Confident92.3Very high134 Ų13462.2 Ų62.272%0.71733%0.327SS*.Hα-helixtrans-56.9-35.1180-68-12.1000112.6A250N246-A250 WeakPolarHBondContact O-CB 3.28Å; N246-A250 PolarHBondContact O-N 2.75Å
247S90.4Very high92.3Very high92 Ų9266.5 Ų66.564%0.64335%0.345SS*.Hα-helixtrans-67.3-41.8177.7-171.40000111.5N245 D251N245-S247 PolarHBondContact O-N 2.75Å; N245-S247 WeakPolarHBondContact OD1-CB 3.48Å; N245-S247 PolarHBondContact OD1-N 2.86Å; N245-S247 VanDerWaalsContact OD1-N 3.16Å; S247-D251 WeakPolarHBondContact O-CB 3.4Å; S247-D251 PolarHBondContact O-N 3.24Å
248K91.6Very high92.3Very high35 Ų3568.9 Ų68.915%0.15235%0.354CS..Hα-helixtrans-69-41.6177.6-169.9171.2-175.7177.60111.2D237 D240 F242 N245 D251 M252D237-K248 PolarHBondContact O-NZ 3.29Å; D240-K248 HydrophobicContact CB-CD 4.4Å; D240-K248 VanDerWaalsContact CB-NZ 3.26Å; D240-K248 PolarHBondContact O-NZ 3.46Å; D240-K248 IonicContact OD2-NZ 3.71Å; D240-K248 PolarHBondContact OD2-NZ 3.4Å; F242-K248 HydrophobicContact CB-CB 4.48Å; F242-K248 HydrophobicContact CB-CD 4.11Å; F242-K248 HydrophobicContact CB-CG 4.1Å; N245-K248 HydrophobicContact CB-CB 3.94Å; N245-K248 PolarHBondContact O-N 3.35Å; N245-K248 VanDerWaalsContact O-N 3.08Å; N245-K248 PolarHBondContact OD1-N 3.15Å; N245-K248 VanDerWaalsContact OD1-N 3.07Å; K248-D251 PolarHBondContact O-N 2.9Å; K248-M252 HydrophobicContact CG-SD 4.32Å; K248-M252 VanDerWaalsContact O-CG 3.24Å; K248-M252 WeakPolarHBondContact O-CG 3.23Å; K248-M252 PolarHBondContact O-N 2.97Å
249S91.8Very high92.4Very high13 Ų1369.9 Ų69.99%0.09136%0.358CS..Hα-helixtrans-60.2-45.5174.3-75.50000111.7F242 N245 M252 I253F242-S249 PolarHBondContact O-OG 3.33Å; N245-S249 PolarHBondContact O-N 3.39Å; S249-M252 PolarHBondContact O-N 3.47Å; S249-I253 WeakPolarHBondContact O-CG1 3.34Å; S249-I253 PolarHBondContact O-N 3.03Å
250A92.9Very high92.5Very high60 Ų6069.2 Ų69.250%0.49636%0.355SS..Hα-helixtrans-62.2-45.3177.700000112.6N246 M252 I253 E254N246-A250 WeakPolarHBondContact O-CB 3.28Å; N246-A250 PolarHBondContact O-N 2.75Å; A250-M252 VanDerWaalsContact C-N 3.33Å; A250-M252 PolarHBondContact O-N 3.48Å; A250-I253 PolarHBondContact O-N 2.93Å; A250-E254 PolarHBondContact O-N 3.14Å
251D95.4Very high92.8Very high64 Ų6468.6 Ų68.634%0.34236%0.359SS..Hα-helixtrans-59.4-41.8175168.877.2000112.1S247 K248 I253 E254 K255S247-D251 WeakPolarHBondContact O-CB 3.4Å; S247-D251 PolarHBondContact O-N 3.24Å; K248-D251 PolarHBondContact O-N 2.9Å; D251-I253 PolarHBondContact O-N 2.9Å; D251-E254 PolarHBondContact O-N 3.19Å; D251-K255 WeakPolarHBondContact O-CG 3.46Å; D251-K255 PolarHBondContact O-N 2.76Å; D251-K255 WeakPolarHBondContact OD1-CE 3.08Å; D251-K255 IonicContact OD1-NZ 3.41Å; D251-K255 PolarHBondContact OD1-NZ 3.05Å; D251-K255 WeakPolarHBondContact OD2-CE 2.89Å; D251-K255 IonicContact OD2-NZ 2.7Å; D251-K255 PolarHBondContact OD2-NZ 3.09Å
252M96.7Very high93.4Very high4 Ų470.2 Ų70.22%0.0237%0.371CS..Hα-helixtrans-63.2-41.7176-71.517369.600112.1F37 L178 L236 V238 F242 K248 S249 A250 K255 V256F37-M252 HydrophobicContact CD2-CE 3.68Å; F37-M252 HydrophobicContact CE2-CB 4Å; F37-M252 HydrophobicContact CE2-CE 3.58Å; F37-M252 HydrophobicContact CG-CE 4.48Å; F37-M252 HydrophobicContact CZ-CE 4.28Å; L178-M252 HydrophobicContact CD2-CE 4.34Å; L236-M252 HydrophobicContact CB-CE 4.34Å; L236-M252 HydrophobicContact CD1-CB 4.4Å; L236-M252 HydrophobicContact CD1-CE 3.89Å; V238-M252 HydrophobicContact CG1-CE 3.44Å; V238-M252 VanDerWaalsContact CG1-CE 3.44Å; V238-M252 HydrophobicContact CG1-SD 4.28Å; F242-M252 HydrophobicContact CB-SD 3.64Å; F242-M252 HydrophobicContact CD1-CE 4.36Å; F242-M252 HydrophobicContact CD1-SD 4.27Å; F242-M252 HydrophobicContact CD2-CE 4.43Å; F242-M252 HydrophobicContact CD2-SD 4.22Å; F242-M252 HydrophobicContact CG-CE 4.26Å; F242-M252 HydrophobicContact CG-SD 3.8Å; K248-M252 HydrophobicContact CG-SD 4.32Å; K248-M252 VanDerWaalsContact O-CG 3.24Å; K248-M252 WeakPolarHBondContact O-CG 3.23Å; K248-M252 PolarHBondContact O-N 2.97Å; S249-M252 PolarHBondContact O-N 3.47Å; A250-M252 VanDerWaalsContact C-N 3.33Å; A250-M252 PolarHBondContact O-N 3.48Å; M252-K255 PolarHBondContact O-N 2.78Å; M252-V256 WeakPolarHBondContact O-CG2 3.28Å; M252-V256 PolarHBondContact O-N 3.31Å; M252-V256 VanDerWaalsContact O-N 3.07Å
253I96.4Very high93.6Very high5 Ų574.7 Ų74.73%0.02639%0.394CS..Hα-helixtrans-66-40.2176.5-67.1-54.7000111.4F37 L40 L41 E44 S249 A250 D251 K255 V256 K257F37-I253 HydrophobicContact CE2-CD1 4.24Å; L40-I253 HydrophobicContact CB-CD1 4.41Å; L41-I253 HydrophobicContact CD2-CD1 3.62Å; L41-I253 HydrophobicContact CG-CD1 4.31Å; E44-I253 HydrophobicContact CG-CD1 3.9Å; E44-I253 HydrophobicContact CG-CG1 4.02Å; E44-I253 HydrophobicContact CG-CG2 3.75Å; E44-I253 WeakPolarHBondContact OE2-CG2 3.29Å; S249-I253 WeakPolarHBondContact O-CG1 3.34Å; S249-I253 PolarHBondContact O-N 3.03Å; A250-I253 PolarHBondContact O-N 2.93Å; D251-I253 PolarHBondContact O-N 2.9Å; I253-K255 VanDerWaalsContact C-N 3.35Å; I253-K255 PolarHBondContact O-N 3.48Å; I253-V256 WeakPolarHBondContact O-CB 3.44Å; I253-V256 PolarHBondContact O-N 3.08Å; I253-V256 VanDerWaalsContact O-N 3.14Å; I253-K257 HydrophobicContact CG2-CD 4.16Å; I253-K257 WeakPolarHBondContact O-CG 3.13Å; I253-K257 PolarHBondContact O-N 2.97Å
254E97.2Very high94.1Very high134 Ų13471.1 Ų71.163%0.62638%0.382SS*.Hα-helixtrans-60.3-45.5176.4-173.7169.5-160.900111.2A250 D251 V256 K257 E258A250-E254 PolarHBondContact O-N 3.14Å; D251-E254 PolarHBondContact O-N 3.19Å; E254-V256 VanDerWaalsContact C-N 3.28Å; E254-V256 PolarHBondContact O-N 2.82Å; E254-K257 PolarHBondContact O-N 3.29Å; E254-K257 VanDerWaalsContact O-N 3.1Å; E254-E258 PolarHBondContact O-N 3.19Å
255K98.3Very high94.7Very high80 Ų8066.3 Ų66.335%0.34836%0.363SS..Hα-helixtrans-59.2-36.8172.9-72.9168.4179.31610113L234 L236 D251 M252 I253 F259L234-K255 HydrophobicContact CD2-CB 4.41Å; L236-K255 HydrophobicContact CD2-CB 4.21Å; L236-K255 HydrophobicContact CD2-CD 3.93Å; D251-K255 WeakPolarHBondContact O-CG 3.46Å; D251-K255 PolarHBondContact O-N 2.76Å; D251-K255 WeakPolarHBondContact OD1-CE 3.08Å; D251-K255 IonicContact OD1-NZ 3.41Å; D251-K255 PolarHBondContact OD1-NZ 3.05Å; D251-K255 WeakPolarHBondContact OD2-CE 2.89Å; D251-K255 IonicContact OD2-NZ 2.7Å; D251-K255 PolarHBondContact OD2-NZ 3.09Å; M252-K255 PolarHBondContact O-N 2.78Å; I253-K255 VanDerWaalsContact C-N 3.35Å; I253-K255 PolarHBondContact O-N 3.48Å; K255-F259 VanDerWaalsContact O-CB 3.24Å; K255-F259 WeakPolarHBondContact O-CB 2.84Å; K255-F259 PolarHBondContact O-N 3.05Å
256V98.1Very high95.1Very high0 Ų065.9 Ų65.90%036%0.361CS..Hα-helixtrans-66.5-44.3174170.80000111F37 L41 W48 F125 I176 L234 L236 M252 I253 E254 E258 F259 L260F37-V256 HydrophobicContact CE1-CG2 4.26Å; F37-V256 HydrophobicContact CZ-CG2 3.75Å; L41-V256 HydrophobicContact CD2-CB 4.47Å; L41-V256 HydrophobicContact CD2-CG1 3.97Å; L41-V256 HydrophobicContact CD2-CG2 4.4Å; W48-V256 HydrophobicContact CH2-CG1 4.19Å; F125-V256 HydrophobicContact CE1-CG1 4.35Å; F125-V256 HydrophobicContact CZ-CG1 4.24Å; I176-V256 HydrophobicContact CD1-CG1 4.14Å; I176-V256 HydrophobicContact CD1-CG2 3.79Å; L234-V256 HydrophobicContact CD2-CG2 3.95Å; L236-V256 HydrophobicContact CD1-CG2 4.47Å; M252-V256 WeakPolarHBondContact O-CG2 3.28Å; M252-V256 PolarHBondContact O-N 3.31Å; M252-V256 VanDerWaalsContact O-N 3.07Å; I253-V256 WeakPolarHBondContact O-CB 3.44Å; I253-V256 PolarHBondContact O-N 3.08Å; I253-V256 VanDerWaalsContact O-N 3.14Å; E254-V256 VanDerWaalsContact C-N 3.28Å; E254-V256 PolarHBondContact O-N 2.82Å; V256-E258 PolarHBondContact O-N 3.24Å; V256-F259 PolarHBondContact O-N 2.99Å; V256-L260 HydrophobicContact CG1-CD1 3.83Å; V256-L260 HydrophobicContact CG1-CG 4.18Å; V256-L260 WeakPolarHBondContact O-CB 3.19Å; V256-L260 VanDerWaalsContact O-CG 3.22Å; V256-L260 WeakPolarHBondContact O-CG 3.42Å; V256-L260 PolarHBondContact O-N 2.98Å
257K97.5Very high95.6Very high97 Ų9761.9 Ų61.942%0.42234%0.34SS..Hα-helixtrans-62.2-43.2177.7-70.8173.3-177.9165.60111.4E44 W48 I253 E254 L260 S261E44-K257 IonicContact OE2-NZ 2.84Å; E44-K257 PolarHBondContact OE2-NZ 3.19Å; W48-K257 HydrophobicContact CH2-CG 3.84Å; W48-K257 HydrophobicContact CZ2-CG 4.17Å; I253-K257 HydrophobicContact CG2-CD 4.16Å; I253-K257 WeakPolarHBondContact O-CG 3.13Å; I253-K257 PolarHBondContact O-N 2.97Å; E254-K257 PolarHBondContact O-N 3.29Å; E254-K257 VanDerWaalsContact O-N 3.1Å; K257-L260 PolarHBondContact O-N 3.16Å; K257-S261 PolarHBondContact O-N 3.45Å; K257-S261 VanDerWaalsContact O-N 3.1Å
258E98.1Very high95.9Very high131 Ų13160.1 Ų60.161%0.61232%0.321SS*.Hα-helixtrans-60.1-50.4173.5-174.7178.9-17300110.9E254 V256 L260 S261 T262E254-E258 PolarHBondContact O-N 3.19Å; V256-E258 PolarHBondContact O-N 3.24Å; E258-L260 PolarHBondContact O-N 3.5Å; E258-S261 WeakPolarHBondContact O-CB 3.21Å; E258-S261 PolarHBondContact O-N 3.04Å; E258-S261 VanDerWaalsContact O-N 3.1Å; E258-S261 PolarHBondContact O-OG 3.28Å; E258-T262 PolarHBondContact O-N 3.28Å
259F98.4Very high96.2Very high20 Ų2061.7 Ų61.79%0.08833%0.333CS..Hα-helixtrans-56.7-48.4177.8175.9-114.4000112.5I24 I176 P232 L234 K255 V256 S261 T262 L263I24-F259 HydrophobicContact CD1-CE1 4.41Å; I176-F259 HydrophobicContact CG1-CD1 4.4Å; I176-F259 HydrophobicContact CG1-CE1 4.31Å; P232-F259 HydrophobicContact CB-CE2 3.64Å; P232-F259 HydrophobicContact CB-CZ 3.9Å; L234-F259 HydrophobicContact CB-CB 4.29Å; L234-F259 HydrophobicContact CB-CD1 3.95Å; L234-F259 HydrophobicContact CB-CD2 3.81Å; L234-F259 HydrophobicContact CB-CE1 4.18Å; L234-F259 HydrophobicContact CB-CE2 4.04Å; L234-F259 HydrophobicContact CB-CG 3.75Å; L234-F259 HydrophobicContact CB-CZ 4.22Å; L234-F259 HydrophobicContact CD2-CB 3.84Å; L234-F259 HydrophobicContact CD2-CD1 4.3Å; L234-F259 HydrophobicContact CD2-CG 4.12Å; L234-F259 HydrophobicContact CG-CB 4.45Å; L234-F259 HydrophobicContact CG-CG 4.43Å; K255-F259 VanDerWaalsContact O-CB 3.24Å; K255-F259 WeakPolarHBondContact O-CB 2.84Å; K255-F259 PolarHBondContact O-N 3.05Å; V256-F259 PolarHBondContact O-N 2.99Å; F259-S261 PolarHBondContact O-N 3.44Å; F259-T262 PolarHBondContact O-N 3.03Å; F259-T262 PolarHBondContact O-OG1 3.43Å; F259-L263 HydrophobicContact CE1-CD1 4.12Å; F259-L263 HydrophobicContact CE2-CD2 4.3Å; F259-L263 HydrophobicContact CZ-CD1 4.44Å; F259-L263 HydrophobicContact CZ-CD2 4.15Å
260L97.1Very high96.5Very high27 Ų2765.2 Ų65.214%0.14135%0.35CS..Hα-helixtrans-60.6-32.2177.9-70.5171.8000112.8I24 W48 V123 F125 V256 K257 E258 T262 L263I24-L260 HydrophobicContact CD1-CD2 3.95Å; I24-L260 HydrophobicContact CG1-CD2 3.78Å; W48-L260 HydrophobicContact CH2-CD1 4.03Å; W48-L260 HydrophobicContact CZ2-CD1 3.43Å; W48-L260 VanDerWaalsContact CZ2-CD1 3.43Å; V123-L260 HydrophobicContact CG1-CD2 3.96Å; V123-L260 HydrophobicContact CG2-CD1 4.39Å; V123-L260 HydrophobicContact CG2-CD2 4.41Å; F125-L260 HydrophobicContact CZ-CD1 4.14Å; V256-L260 HydrophobicContact CG1-CD1 3.83Å; V256-L260 HydrophobicContact CG1-CG 4.18Å; V256-L260 WeakPolarHBondContact O-CB 3.19Å; V256-L260 VanDerWaalsContact O-CG 3.22Å; V256-L260 WeakPolarHBondContact O-CG 3.42Å; V256-L260 PolarHBondContact O-N 2.98Å; K257-L260 PolarHBondContact O-N 3.16Å; E258-L260 PolarHBondContact O-N 3.5Å; L260-T262 PolarHBondContact O-N 2.94Å; L260-L263 HydrophobicContact CD2-CD1 4.09Å; L260-L263 PolarHBondContact O-N 3.11Å
261S96.1Very high96.8Very high94 Ų9465.6 Ų65.666%0.65734%0.339SS*.Hα-helixtrans-71.4-13177.576.60000114K257 E258 F259K257-S261 PolarHBondContact O-N 3.45Å; K257-S261 VanDerWaalsContact O-N 3.1Å; E258-S261 WeakPolarHBondContact O-CB 3.21Å; E258-S261 PolarHBondContact O-N 3.04Å; E258-S261 VanDerWaalsContact O-N 3.1Å; E258-S261 PolarHBondContact O-OG 3.28Å; F259-S261 PolarHBondContact O-N 3.44Å
262T96.2Very high96.9Very high99 Ų9965.8 Ų65.861%0.60734%0.338SS*.THydrogen-bonded Turntrans-93.9-6.9176.768.60000114E258 F259 L260E258-T262 PolarHBondContact O-N 3.28Å; F259-T262 PolarHBondContact O-N 3.03Å; F259-T262 PolarHBondContact O-OG1 3.43Å; L260-T262 PolarHBondContact O-N 2.94Å
263L92.5Very high96.9Very high98 Ų9871.4 Ų71.451%0.51337%0.367SS..  trans-87.60-178-58.5-177.8000112.8T22 I24 P232 F259 L260T22-L263 HydrophobicContact CG2-CD1 4.02Å; I24-L263 HydrophobicContact CD1-CD1 3.39Å; P232-L263 HydrophobicContact CB-CD2 3.9Å; P232-L263 HydrophobicContact CG-CD2 3.73Å; F259-L263 HydrophobicContact CE1-CD1 4.12Å; F259-L263 HydrophobicContact CE2-CD2 4.3Å; F259-L263 HydrophobicContact CZ-CD1 4.44Å; F259-L263 HydrophobicContact CZ-CD2 4.15Å; L260-L263 HydrophobicContact CD2-CD1 4.09Å; L260-L263 PolarHBondContact O-N 3.11Å

Retrieved 263 of 263 residues in 167 ms (Link to these results)

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