A0A3Q0KTU5_SCHMA Loading...

BLUF domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KTU5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M41.2Very low42.1Very low236 Ų236136.3 Ų136.3100%1.16383%0.826SS**  0123.20-81.3174.6120.100107.6
2S37.9Very low43.8Very low125 Ų125139.4 Ų139.487%0.87482%0.824SS**  trans48129.4154.9580000119.5
3G39.8Very low45.9Very low76 Ų76141.5 Ų141.578%0.78483%0.827SS**  cis-172.2152.515.600000112
4M38.1Very low47.9Very low181 Ų181136.5 Ų136.589%0.89280%0.799SS**  trans-67.3125.1176.2-69.3141.998.900110.3
5G41.5Very low50.1Low75 Ų75130.9 Ų130.977%0.77377%0.77SS**  trans-92.2105.1163.400000108.9N7G5-N7 PolarHBondContact O-N 3.22Å
6N40.9Very low51.9Low139 Ų139131.3 Ų131.374%0.74377%0.767SS**  trans-70.1107.8172.4-76.1-19.1000109.2V8N6-V8 PolarHBondContact O-N 3.34Å; N6-V8 VanDerWaalsContact O-N 3.1Å
7N39.7Very low53.3Low162 Ų162132.7 Ų132.787%0.86676%0.758SS**  trans-69.297.8162.4-83.6-12.6000108.3G5 E9G5-N7 PolarHBondContact O-N 3.22Å; N7-E9 PolarHBondContact O-N 3.13Å
8V44.6Very low54.7Low127 Ų127130.7 Ų130.777%0.7774%0.741SS**  trans-82.5103.3162.3179.90000105.7N6 S10N6-V8 PolarHBondContact O-N 3.34Å; N6-V8 VanDerWaalsContact O-N 3.1Å; V8-S10 PolarHBondContact O-N 3.04Å
9E45Very low56Low184 Ų184125.7 Ų125.786%0.8672%0.717SS**  trans-57.5101.4167-78.7177.6161.200108.3N7 S11N7-E9 PolarHBondContact O-N 3.13Å; E9-S11 PolarHBondContact O-N 2.97Å
10S42.1Very low57Low93 Ų93122.8 Ų122.865%0.6570%0.699SS**  trans-66.1102.9167.254.90000107.7V8 H12V8-S10 PolarHBondContact O-N 3.04Å; S10-H12 PolarHBondContact O-N 2.9Å
11S52.8Low57.8Low101 Ų101120.1 Ų120.171%0.70669%0.685SS**  trans-47.8113.5164.953.60000108.5E9 L13E9-S11 PolarHBondContact O-N 2.97Å; S11-L13 PolarHBondContact O-N 3.16Å
12H62.4Low59.3Low174 Ų174115.6 Ų115.681%0.80666%0.661SS**  trans-57.9110.3177.5-84.8-87.6000108.7S10 V14S10-H12 PolarHBondContact O-N 2.9Å; H12-V14 PolarHBondContact O-N 3.13Å
13L71Confident60.9Low166 Ų166116.3 Ų116.387%0.86965%0.648SS**  trans-66.7106.5171.7-68.7170.9000107.5S11S11-L13 PolarHBondContact O-N 3.16Å
14V73.1Confident62.2Low72 Ų72118.4 Ų118.444%0.43664%0.638SS.*  trans-75.6127171.8-178.30000107.6H12 Q18 A19H12-V14 PolarHBondContact O-N 3.13Å; V14-Q18 HydrophobicContact CG1-CB 3.52Å; V14-A19 HydrophobicContact CG1-CB 4.2Å
15S82.1Confident63.4Low52 Ų52112 Ų11236%0.36461%0.605SS.*  trans-65.8151.4174.963.40000110.7Y17 Q18 A19S15-Y17 PolarHBondContact O-N 3.09Å; S15-Y17 VanDerWaalsContact O-N 3.17Å; S15-Q18 PolarHBondContact O-N 3.37Å; S15-Q18 WeakPolarHBondContact OG-CB 3.41Å; S15-Q18 VanDerWaalsContact OG-CG 3.27Å; S15-Q18 WeakPolarHBondContact OG-CG 3.36Å; S15-Q18 PolarHBondContact OG-N 3.21Å; S15-Q18 VanDerWaalsContact OG-N 3.16Å; S15-Q18 PolarHBondContact OG-OE1 3.39Å; S15-Q18 VanDerWaalsContact OG-OE1 3.06Å; S15-A19 PolarHBondContact O-N 3.3Å
16L77.8Confident64.3Low138 Ų138113.1 Ų113.172%0.72359%0.592SS**Hα-helixtrans-52-40.9174.6177.763.8000111.3A19 L20L16-A19 PolarHBondContact O-N 3Å; L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CG-CD1 4.19Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 2.63Å
17Y76.6Confident65.2Low155 Ų155114.1 Ų114.161%0.60859%0.593SS**Hα-helixtrans-59.4-47.7175.7178.8-98.8000112.5S15 A19 L20 V21 I26S15-Y17 PolarHBondContact O-N 3.09Å; S15-Y17 VanDerWaalsContact O-N 3.17Å; Y17-A19 PolarHBondContact O-N 2.93Å; Y17-L20 WeakPolarHBondContact O-CB 3.29Å; Y17-L20 PolarHBondContact O-N 3.36Å; Y17-V21 HydrophobicContact CD1-CG2 4.18Å; Y17-V21 HydrophobicContact CE1-CG2 3.74Å; Y17-V21 HydrophobicContact CE2-CG2 4.32Å; Y17-V21 WeakPolarHBondContact O-CG2 3.23Å; Y17-V21 PolarHBondContact O-N 3.36Å; Y17-I26 HydrophobicContact CD2-CD1 4.13Å; Y17-I26 HydrophobicContact CE2-CD1 3.44Å; Y17-I26 VanDerWaalsContact CE2-CD1 3.44Å
18Q78.7Confident66.4Low97 Ų97110.1 Ų110.145%0.45357%0.565SS.*Hα-helixtrans-62.6-42176.4-78.1165.8-33.600111.8V14 S15 L20 V21 E22V14-Q18 HydrophobicContact CG1-CB 3.52Å; S15-Q18 PolarHBondContact O-N 3.37Å; S15-Q18 WeakPolarHBondContact OG-CB 3.41Å; S15-Q18 VanDerWaalsContact OG-CG 3.27Å; S15-Q18 WeakPolarHBondContact OG-CG 3.36Å; S15-Q18 PolarHBondContact OG-N 3.21Å; S15-Q18 VanDerWaalsContact OG-N 3.16Å; S15-Q18 PolarHBondContact OG-OE1 3.39Å; S15-Q18 VanDerWaalsContact OG-OE1 3.06Å; Q18-L20 VanDerWaalsContact C-N 3.25Å; Q18-L20 PolarHBondContact O-N 3.19Å; Q18-V21 PolarHBondContact O-N 3.44Å; Q18-E22 WeakPolarHBondContact O-CB 3.45Å; Q18-E22 WeakPolarHBondContact O-CG 3.39Å; Q18-E22 PolarHBondContact O-N 3.49Å
19A78.8Confident67.4Low35 Ų35113 Ų11329%0.28957%0.57SS.*Hα-helixtrans-63.1-33.3176.200000112.3V14 S15 L16 Y17 K23V14-A19 HydrophobicContact CG1-CB 4.2Å; S15-A19 PolarHBondContact O-N 3.3Å; L16-A19 PolarHBondContact O-N 3Å; Y17-A19 PolarHBondContact O-N 2.93Å; A19-K23 WeakPolarHBondContact O-CB 3.42Å; A19-K23 WeakPolarHBondContact O-CG 3.5Å; A19-K23 PolarHBondContact O-N 3.45Å
20L75.2Confident68.6Low67 Ų67107.7 Ų107.735%0.35155%0.548SS..Hα-helixtrans-69.4-44.1173.6-70.5171.6000111.4L16 Y17 Q18 K23 F25L16-L20 HydrophobicContact CD1-CG 4.45Å; L16-L20 HydrophobicContact CG-CD1 4.19Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 2.63Å; Y17-L20 WeakPolarHBondContact O-CB 3.29Å; Y17-L20 PolarHBondContact O-N 3.36Å; Q18-L20 VanDerWaalsContact C-N 3.25Å; Q18-L20 PolarHBondContact O-N 3.19Å; L20-K23 PolarHBondContact O-N 3.43Å; L20-F25 HydrophobicContact CB-CB 4.26Å; L20-F25 HydrophobicContact CB-CD2 4.45Å; L20-F25 HydrophobicContact CD2-CB 4.15Å; L20-F25 HydrophobicContact CD2-CD2 3.68Å; L20-F25 HydrophobicContact CD2-CE2 4.19Å; L20-F25 HydrophobicContact CD2-CG 3.93Å; L20-F25 VanDerWaalsContact O-CB 3.27Å; L20-F25 WeakPolarHBondContact O-CB 3.39Å; L20-F25 WeakPolarHBondContact O-CD2 3.47Å; L20-F25 PolarHBondContact O-N 3.48Å
21V74.9Confident70.6Confident68 Ų68105.6 Ų105.641%0.41253%0.531SS..Hα-helixtrans-62.6-48.1175.7175.80000111.4Y17 Q18 K23 E24 I26Y17-V21 HydrophobicContact CD1-CG2 4.18Å; Y17-V21 HydrophobicContact CE1-CG2 3.74Å; Y17-V21 HydrophobicContact CE2-CG2 4.32Å; Y17-V21 WeakPolarHBondContact O-CG2 3.23Å; Y17-V21 PolarHBondContact O-N 3.36Å; Q18-V21 PolarHBondContact O-N 3.44Å; V21-K23 PolarHBondContact O-N 3.32Å; V21-E24 WeakPolarHBondContact O-CA 3.22Å; V21-E24 PolarHBondContact O-N 2.59Å; V21-I26 HydrophobicContact CG2-CD1 3.44Å; V21-I26 VanDerWaalsContact CG2-CD1 3.44Å; V21-I26 HydrophobicContact CG2-CG1 4.2Å
22E73.2Confident72.4Confident141 Ų141101.8 Ų101.866%0.65950%0.503SS*.Hα-helixtrans-61.5-31-178.3-78.2176.5-177.500112.8Q18 E24Q18-E22 WeakPolarHBondContact O-CB 3.45Å; Q18-E22 WeakPolarHBondContact O-CG 3.39Å; Q18-E22 PolarHBondContact O-N 3.49Å; E22-E24 PolarHBondContact O-N 2.62Å
23K71.1Confident73.9Confident139 Ų13995.7 Ų95.760%0.60447%0.473SS*.THydrogen-bonded Turntrans-88.915.3175-72-178.4175.1-175.80113.1A19 L20 V21 F25A19-K23 WeakPolarHBondContact O-CB 3.42Å; A19-K23 WeakPolarHBondContact O-CG 3.5Å; A19-K23 PolarHBondContact O-N 3.45Å; L20-K23 PolarHBondContact O-N 3.43Å; V21-K23 PolarHBondContact O-N 3.32Å; K23-F25 HydrophobicContact CB-CD2 3.41Å; K23-F25 VanDerWaalsContact CB-CD2 3.41Å; K23-F25 HydrophobicContact CB-CE2 3.4Å; K23-F25 VanDerWaalsContact CB-CE2 3.4Å; K23-F25 HydrophobicContact CD-CD2 4.39Å; K23-F25 HydrophobicContact CD-CE2 3.64Å; K23-F25 HydrophobicContact CG-CE2 4.18Å; K23-F25 PolarHBondContact O-N 3.1Å; K23-F25 VanDerWaalsContact O-N 3.11Å
24E66.8Low75.1Confident120 Ų12088.3 Ų88.356%0.56144%0.435SS*.THydrogen-bonded Turntrans56.423.5179.8-59.6174168.200113.1V21 E22 I26 E27 R28V21-E24 WeakPolarHBondContact O-CA 3.22Å; V21-E24 PolarHBondContact O-N 2.59Å; E22-E24 PolarHBondContact O-N 2.62Å; E24-I26 VanDerWaalsContact C-N 3.3Å; E24-I26 PolarHBondContact O-N 3.2Å; E24-E27 PolarHBondContact O-N 3.18Å; E24-R28 WeakPolarHBondContact O-CG 3.27Å; E24-R28 PolarHBondContact O-N 3.41Å
25F62.5Low76.2Confident46 Ų4684.9 Ų84.920%0.20241%0.414CS..THydrogen-bonded Turntrans-64.6-36.8-177.3-81.5-76.4000112.4L20 K23 E27 R28 N158L20-F25 HydrophobicContact CB-CB 4.26Å; L20-F25 HydrophobicContact CB-CD2 4.45Å; L20-F25 HydrophobicContact CD2-CB 4.15Å; L20-F25 HydrophobicContact CD2-CD2 3.68Å; L20-F25 HydrophobicContact CD2-CE2 4.19Å; L20-F25 HydrophobicContact CD2-CG 3.93Å; L20-F25 VanDerWaalsContact O-CB 3.27Å; L20-F25 WeakPolarHBondContact O-CB 3.39Å; L20-F25 WeakPolarHBondContact O-CD2 3.47Å; L20-F25 PolarHBondContact O-N 3.48Å; K23-F25 HydrophobicContact CB-CD2 3.41Å; K23-F25 VanDerWaalsContact CB-CD2 3.41Å; K23-F25 HydrophobicContact CB-CE2 3.4Å; K23-F25 VanDerWaalsContact CB-CE2 3.4Å; K23-F25 HydrophobicContact CD-CD2 4.39Å; K23-F25 HydrophobicContact CD-CE2 3.64Å; K23-F25 HydrophobicContact CG-CE2 4.18Å; K23-F25 PolarHBondContact O-N 3.1Å; K23-F25 VanDerWaalsContact O-N 3.11Å; F25-E27 VanDerWaalsContact C-N 3.27Å; F25-E27 PolarHBondContact O-N 3.42Å; F25-R28 PolarHBondContact O-N 2.92Å; F25-N158 HydrophobicContact CE1-CB 3.76Å; F25-N158 HydrophobicContact CZ-CB 4.3Å
26I60.8Low77Confident99 Ų9983 Ų8351%0.50840%0.401SS..THydrogen-bonded Turntrans-71.3-26.2-176.5-57.4-166.5000111.4Y17 V21 E24Y17-I26 HydrophobicContact CD2-CD1 4.13Å; Y17-I26 HydrophobicContact CE2-CD1 3.44Å; Y17-I26 VanDerWaalsContact CE2-CD1 3.44Å; V21-I26 HydrophobicContact CG2-CD1 3.44Å; V21-I26 VanDerWaalsContact CG2-CD1 3.44Å; V21-I26 HydrophobicContact CG2-CG1 4.2Å; E24-I26 VanDerWaalsContact C-N 3.3Å; E24-I26 PolarHBondContact O-N 3.2Å
27E60.7Low77.9Confident161 Ų16176.7 Ų76.775%0.75237%0.368SS*.THydrogen-bonded Turntrans-88.5-11.6-178.7-62.1-171.4171.100113.1E24 F25 E29E24-E27 PolarHBondContact O-N 3.18Å; F25-E27 VanDerWaalsContact C-N 3.27Å; F25-E27 PolarHBondContact O-N 3.42Å; E27-E29 PolarHBondContact O-N 3.12Å
28R65.5Low78.9Confident77 Ų7769.3 Ų69.329%0.29134%0.339SS..  trans-75.5110.3177.6-71.6178.9-168.8-1737110.4E24 F25 N30E24-R28 WeakPolarHBondContact O-CG 3.27Å; E24-R28 PolarHBondContact O-N 3.41Å; F25-R28 PolarHBondContact O-N 2.92Å; R28-N30 PolarHBondContact O-N 3.22Å
29E65.2Low79.7Confident187 Ų18764.7 Ų64.787%0.87432%0.317SS*.SBendtrans-61.8-23.9175.3-64.8-172.5160.700113E27E27-E29 PolarHBondContact O-N 3.12Å
30N70.5Confident80.4Confident73 Ų7366.5 Ų66.539%0.3932%0.319SS..SBendtrans-138.3107.4-179.9-73-56.3000112R28 L32R28-N30 PolarHBondContact O-N 3.22Å; N30-L32 PolarHBondContact O-N 3.12Å
31V83.7Confident81.2Confident50 Ų5063.8 Ų63.830%0.30331%0.305SS..  trans-71.3121.8168.1179.80000108.8Y33 S85 N158V31-Y33 HydrophobicContact CB-CE2 4.23Å; V31-Y33 HydrophobicContact CG1-CD2 4.26Å; V31-Y33 HydrophobicContact CG1-CE2 3.62Å; V31-S85 WeakPolarHBondContact O-CA 3.27Å; V31-N158 WeakPolarHBondContact CG1-OD1 3.46Å
32L90.4Very high81.9Confident20 Ų2060.6 Ų60.611%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-95.1135.3-175.8-17566.7000110.7N30 N158 I159 R162N30-L32 PolarHBondContact O-N 3.12Å; L32-N158 PolarHBondContact O-N 3.45Å; L32-I159 HydrophobicContact CB-CD1 4.43Å; L32-I159 HydrophobicContact CB-CG1 3.76Å; L32-I159 HydrophobicContact CD2-CD1 3.56Å; L32-I159 HydrophobicContact CD2-CG1 3.37Å; L32-I159 HydrophobicContact CG-CD1 3.57Å; L32-I159 HydrophobicContact CG-CG1 3.41Å; L32-I159 VanDerWaalsContact CG-CG1 3.41Å; L32-I159 PolarHBondContact O-N 3.4Å; L32-R162 HydrophobicContact CD1-CG 4.18Å; L32-R162 VanDerWaalsContact CD1-CZ 3.43Å; L32-R162 HydrophobicContact CD2-CB 4.22Å; L32-R162 HydrophobicContact CD2-CG 3.26Å; L32-R162 HydrophobicContact CG-CG 4.34Å
33Y94.2Very high82.4Confident47 Ų4755.9 Ų55.918%0.18427%0.267CS..EExtended strand (participates in β ladder)trans-114.5148.4177-72.8-107.8000109.1V31 E83 S84 F86 N156 D157V31-Y33 HydrophobicContact CB-CE2 4.23Å; V31-Y33 HydrophobicContact CG1-CD2 4.26Å; V31-Y33 HydrophobicContact CG1-CE2 3.62Å; Y33-E83 CarbonylContact O-C 3.56Å; Y33-E83 WeakPolarHBondContact O-CA 3.32Å; Y33-S84 PolarHBondContact N-O 3.02Å; Y33-S84 PolarHBondContact O-N 2.93Å; Y33-F86 HydrophobicContact CD1-CD2 4.34Å; Y33-F86 HydrophobicContact CD2-CB 3.88Å; Y33-F86 AromaticContact CE1-CD2 3.94Å; Y33-F86 HydrophobicContact CE1-CD2 3.94Å; Y33-F86 HydrophobicContact CE2-CB 3.55Å; Y33-F86 HydrophobicContact CE2-CD2 4.31Å; Y33-F86 HydrophobicContact CE2-CG 4.34Å; Y33-F86 AromaticContact CZ-CD2 3.93Å; Y33-N156 CarbonylContact C-O 3.15Å; Y33-N156 VanDerWaalsContact CA-O 3.29Å; Y33-N156 WeakPolarHBondContact CA-O 3.23Å; Y33-D157 HydrophobicContact CD1-CB 3.82Å; Y33-D157 HydrophobicContact CE1-CB 3.37Å
34S95.7Very high83Confident10 Ų1049.3 Ų49.37%0.0724%0.238CC..EExtended strand (participates in β ladder)trans-125.9122.9168.3179.50000109.1I82 N156S34-I82 CarbonylContact C-O 3.59Å; S34-I82 WeakPolarHBondContact CA-O 3.43Å; S34-N156 PolarHBondContact N-O 3.05Å; S34-N156 PolarHBondContact O-N 2.75Å
35V97Very high83.8Confident0 Ų044.8 Ų44.80%022%0.218CC..EExtended strand (participates in β ladder)trans-122.6135.7178.8-177.20000110.5L37 I81 I82 L89 F93 I152 C154 A155V35-L37 HydrophobicContact CG1-CD2 4.23Å; V35-L37 HydrophobicContact CG1-CG 4.14Å; V35-I81 CarbonylContact O-C 3.53Å; V35-I81 VanDerWaalsContact O-CA 3.31Å; V35-I81 WeakPolarHBondContact O-CA 3.48Å; V35-I82 PolarHBondContact N-O 2.88Å; V35-I82 PolarHBondContact O-N 3.02Å; V35-L89 HydrophobicContact CB-CD1 4.28Å; V35-L89 HydrophobicContact CG2-CD1 4Å; V35-L89 HydrophobicContact CG2-CD2 3.53Å; V35-L89 HydrophobicContact CG2-CG 4.36Å; V35-F93 HydrophobicContact CB-CZ 4.16Å; V35-F93 HydrophobicContact CG1-CZ 3.92Å; V35-F93 HydrophobicContact CG2-CZ 4.11Å; V35-I152 HydrophobicContact CG1-CG1 4.21Å; V35-I152 HydrophobicContact CG1-CG2 3.88Å; V35-C154 WeakPolarHBondContact CA-O 2.89Å; V35-C154 WeakPolarHBondContact CG1-O 3.32Å; V35-A155 HydrophobicContact CG1-CB 4.47Å; V35-A155 HydrophobicContact CG2-CB 3.87Å
36V97.7Very high84.8Confident13 Ų1345.7 Ų45.78%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-104.8113.2170.3-173.70000108.5I79 I81 L153 C154 L196V36-I79 HydrophobicContact CG1-CG2 3.9Å; V36-I81 HydrophobicContact CG1-CG1 4.44Å; V36-I81 HydrophobicContact CG2-CG1 4.33Å; V36-L153 HydrophobicContact CB-CB 4.5Å; V36-L153 HydrophobicContact CG1-CB 4.43Å; V36-L153 HydrophobicContact CG1-CD1 4.43Å; V36-L153 PolarHBondContact O-N 3.17Å; V36-C154 HydrophobicContact CB-CB 4.42Å; V36-C154 HydrophobicContact CG2-CB 4.49Å; V36-C154 PolarHBondContact N-O 3.17Å; V36-C154 PolarHBondContact O-N 2.83Å; V36-L196 HydrophobicContact CB-CD2 4.2Å; V36-L196 HydrophobicContact CG1-CD2 4.2Å; V36-L196 HydrophobicContact CG2-CD2 4.23Å
37L97.5Very high85.9Confident5 Ų542.8 Ų42.83%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-103150.6173.9-64.8167.8000110.4V35 I79 H80 I82 F93 I96 R151 I152 L262V35-L37 HydrophobicContact CG1-CD2 4.23Å; V35-L37 HydrophobicContact CG1-CG 4.14Å; L37-I79 CarbonylContact O-C 3.58Å; L37-I79 WeakPolarHBondContact O-CA 3.18Å; L37-H80 HydrophobicContact CB-CB 4.18Å; L37-H80 PolarHBondContact N-O 2.91Å; L37-H80 PolarHBondContact O-N 2.96Å; L37-I82 HydrophobicContact CD1-CD1 3.81Å; L37-F93 HydrophobicContact CD1-CD1 4.38Å; L37-F93 HydrophobicContact CD1-CE1 3.81Å; L37-F93 HydrophobicContact CD2-CE1 4.43Å; L37-F93 HydrophobicContact CG-CE1 4.45Å; L37-I96 HydrophobicContact CD1-CD1 4.26Å; L37-R151 CarbonylContact C-O 3.55Å; L37-R151 VanDerWaalsContact CA-O 3.32Å; L37-R151 WeakPolarHBondContact CA-O 2.98Å; L37-I152 HydrophobicContact CD2-CB 4.21Å; L37-I152 HydrophobicContact CD2-CD1 4.45Å; L37-I152 HydrophobicContact CD2-CG1 3.31Å; L37-L262 HydrophobicContact CD2-CD1 4.06Å
38V97.2Very high87Confident1 Ų140.1 Ų40.11%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-120.8153.4159.1-68.10000109.8V78 I79 S150 R151 L153 V247 F250 A251V38-V78 VanDerWaalsContact CA-O 3.28Å; V38-V78 WeakPolarHBondContact CA-O 3.47Å; V38-I79 HydrophobicContact CG1-CG1 4.18Å; V38-S150 CarbonylContact O-C 3.56Å; V38-S150 WeakPolarHBondContact O-CA 3.32Å; V38-R151 HydrophobicContact CG2-CB 4.13Å; V38-R151 PolarHBondContact N-O 2.94Å; V38-R151 PolarHBondContact O-N 3.11Å; V38-L153 HydrophobicContact CB-CD1 4.49Å; V38-L153 HydrophobicContact CG1-CD1 3.47Å; V38-L153 VanDerWaalsContact CG1-CD1 3.47Å; V38-L153 HydrophobicContact CG1-CD2 4.48Å; V38-L153 HydrophobicContact CG1-CG 3.95Å; V38-L153 HydrophobicContact CG2-CD1 4.28Å; V38-L153 HydrophobicContact CG2-CD2 3.74Å; V38-L153 HydrophobicContact CG2-CG 3.96Å; V38-V247 HydrophobicContact CG1-CG1 4.06Å; V38-F250 HydrophobicContact CG2-CB 4.39Å; V38-A251 HydrophobicContact CB-CB 4.49Å; V38-A251 HydrophobicContact CG2-CB 4.31Å
39G95.1Very high88.1Confident0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-157.2155.2174.300000110.7H77 V78G39-H77 CarbonylContact O-C 3.59Å; G39-H77 VanDerWaalsContact O-CA 3.23Å; G39-H77 WeakPolarHBondContact O-CA 3.48Å; G39-V78 PolarHBondContact N-O 2.53Å; G39-V78 PolarHBondContact O-N 3.44Å
40K93.3Very high89.4Confident72 Ų7231 Ų3131%0.31316%0.164SC..EExtended strand (participates in β ladder)trans-85.4135.9171.9179.1174.3-175.2165.70109.2Y76 T147 I148 D252K40-Y76 CarbonylContact C-O 3.59Å; K40-Y76 WeakPolarHBondContact CA-O 3.34Å; K40-T147 CarbonylContact O-C 3.48Å; K40-T147 WeakPolarHBondContact O-CA 3.13Å; K40-T147 WeakPolarHBondContact O-CB 3.36Å; K40-I148 HydrophobicContact CB-CG1 3.96Å; K40-I148 HydrophobicContact CD-CD1 4.24Å; K40-I148 HydrophobicContact CD-CG1 4.31Å; K40-I148 HydrophobicContact CG-CD1 4.5Å; K40-I148 HydrophobicContact CG-CG1 4.16Å; K40-I148 PolarHBondContact N-O 2.78Å; K40-I148 PolarHBondContact O-N 3.27Å; K40-D252 WeakPolarHBondContact CD-OD1 3.36Å
41I92.4Very high90.4Very high11 Ų1127.6 Ų27.66%0.05615%0.146CC..EExtended strand (participates in β ladder)trans-69.1133.7174.9-65.5176.3000108.4I45 N47 V50 V73 Y74 Y76 V78I41-I45 HydrophobicContact CG2-CG2 3.55Å; I41-N47 WeakPolarHBondContact CD1-OD1 3.35Å; I41-V50 HydrophobicContact CD1-CG2 4.42Å; I41-V50 HydrophobicContact CG1-CG2 4.28Å; I41-V50 HydrophobicContact CG2-CG2 3.76Å; I41-V73 HydrophobicContact CD1-CG1 3.67Å; I41-Y74 WeakPolarHBondContact CD1-O 3.5Å; I41-Y76 PolarHBondContact N-O 2.9Å; I41-V78 HydrophobicContact CD1-CG1 4.1Å; I41-V78 HydrophobicContact CG1-CG1 3.82Å
42S90.2Very high90.8Very high1 Ų131.8 Ų31.81%0.00716%0.16CC..PPolyproline II helixtrans-62.2140.5177.5-62.10000111.1H44 I45 A145 P146S42-H44 WeakPolarHBondContact CB-CE1 3.36Å; S42-H44 WeakPolarHBondContact CB-NE2 3.44Å; S42-H44 PolarHBondContact O-N 3.21Å; S42-I45 WeakPolarHBondContact O-CG2 3.33Å; S42-I45 PolarHBondContact O-N 3.15Å; S42-I45 VanDerWaalsContact O-N 3.11Å; S42-A145 WeakPolarHBondContact CB-O 3.37Å; S42-A145 PolarHBondContact OG-O 3.46Å; S42-P146 PolarHBondContact N-O 3.08Å; S42-P146 VanDerWaalsContact N-O 3.08Å
43P83.6Confident90.9Very high41 Ų4133.1 Ų33.127%0.26617%0.165SC..THydrogen-bonded Turntrans-67.4-11.8-17626.3-34.2000114.4M107 F127 E129 I135P43-M107 VanDerWaalsContact CD-CE 3.45Å; P43-M107 HydrophobicContact CG-CE 3.72Å; P43-F127 HydrophobicContact CG-CD1 4.49Å; P43-F127 HydrophobicContact CG-CE1 3.45Å; P43-F127 VanDerWaalsContact CG-CE1 3.45Å; P43-F127 HydrophobicContact CG-CZ 3.97Å; P43-E129 HydrophobicContact CB-CB 3.99Å; P43-I135 HydrophobicContact CB-CD1 4.19Å
44H82.7Confident90.9Very high2 Ų231 Ų311%0.00916%0.157CC..THydrogen-bonded Turntrans-99.813.9177.165.3-96.3000112.8S42 I103 I135 M138 Y139 L144 A145S42-H44 WeakPolarHBondContact CB-CE1 3.36Å; S42-H44 WeakPolarHBondContact CB-NE2 3.44Å; S42-H44 PolarHBondContact O-N 3.21Å; H44-I103 WeakPolarHBondContact CE1-CD1 3.31Å; H44-I103 WeakPolarHBondContact ND1-CD1 3.41Å; H44-I135 HydrophobicContact CB-CB 4.42Å; H44-I135 HydrophobicContact CB-CG1 4.48Å; H44-I135 HydrophobicContact CB-CG2 3.8Å; H44-M138 HydrophobicContact CB-CB 4.13Å; H44-M138 HydrophobicContact CB-SD 4.31Å; H44-Y139 VanDerWaalsContact C-OH 3.23Å; H44-Y139 HydrophobicContact CB-CD2 4.23Å; H44-Y139 HydrophobicContact CB-CE2 4.15Å; H44-Y139 WeakPolarHBondContact O-CD1 3.28Å; H44-Y139 WeakPolarHBondContact O-CE1 3.42Å; H44-Y139 WeakPolarHBondContact O-CE2 3.45Å; H44-Y139 PolarHBondContact O-OH 3.32Å; H44-L144 HydrophobicContact CB-CD1 4.41Å; H44-L144 WeakPolarHBondContact CD2-CB 2.87Å; H44-L144 WeakPolarHBondContact CD2-CD1 3.43Å; H44-L144 VanDerWaalsContact CE1-CB 3.5Å; H44-L144 WeakPolarHBondContact CE1-CB 3.5Å; H44-L144 WeakPolarHBondContact NE2-CB 3.39Å; H44-A145 PolarHBondContact NE2-O 2.6Å
45I84.5Confident90.7Very high25 Ų2536 Ų3613%0.12818%0.179CC..SBendtrans-131.9146-179.6-161.5170.6000110.5I41 S42 E49 V50 Y139 P146I41-I45 HydrophobicContact CG2-CG2 3.55Å; S42-I45 WeakPolarHBondContact O-CG2 3.33Å; S42-I45 PolarHBondContact O-N 3.15Å; S42-I45 VanDerWaalsContact O-N 3.11Å; I45-E49 HydrophobicContact CD1-CB 3.73Å; I45-E49 HydrophobicContact CG1-CB 3.36Å; I45-E49 HydrophobicContact CG1-CG 4.41Å; I45-V50 HydrophobicContact CD1-CG2 4.14Å; I45-V50 HydrophobicContact CG1-CG2 4.24Å; I45-V50 HydrophobicContact CG2-CG2 3.53Å; I45-Y139 WeakPolarHBondContact CA-OH 3.36Å; I45-P146 HydrophobicContact CD1-CB 3.96Å; I45-P146 WeakPolarHBondContact CG2-O 3.45Å
46T83.2Confident90.5Very high64 Ų6443.8 Ų43.839%0.39321%0.213SC..  trans-87.4154.9173.664.90000111.5N48 E49 V50T46-N48 PolarHBondContact O-N 3.34Å; T46-N48 VanDerWaalsContact O-N 3.1Å; T46-E49 WeakPolarHBondContact CB-OE2 3.27Å; T46-E49 WeakPolarHBondContact CG2-OE2 3.27Å; T46-E49 PolarHBondContact N-OE2 3.48Å; T46-E49 WeakPolarHBondContact O-CB 3.32Å; T46-E49 PolarHBondContact O-N 3.08Å; T46-E49 VanDerWaalsContact OG1-CD 3.23Å; T46-E49 VanDerWaalsContact OG1-CG 3.28Å; T46-E49 WeakPolarHBondContact OG1-CG 3.48Å; T46-E49 PolarHBondContact OG1-N 2.94Å; T46-E49 PolarHBondContact OG1-OE2 2.86Å; T46-V50 PolarHBondContact O-N 2.91Å
47N83.3Confident90.4Very high39 Ų3944 Ų4421%0.20921%0.214CC..Hα-helixtrans-52.7-36178-64.4-0.6000113.2I41 G51 V73 V171I41-N47 WeakPolarHBondContact CD1-OD1 3.35Å; N47-G51 PolarHBondContact O-N 3.2Å; N47-G51 VanDerWaalsContact O-N 3.14Å; N47-V73 HydrophobicContact CB-CG1 3.71Å; N47-V171 HydrophobicContact CB-CG1 3.99Å
48N84.4Confident90.2Very high105 Ų10544.1 Ų44.156%0.56121%0.214SC*.Hα-helixtrans-70.6-34.8178-73.5-25.5000112.7T46 K52T46-N48 PolarHBondContact O-N 3.34Å; T46-N48 VanDerWaalsContact O-N 3.1Å; N48-K52 VanDerWaalsContact O-CG 3.3Å; N48-K52 WeakPolarHBondContact O-CG 3.49Å; N48-K52 PolarHBondContact O-N 3.2Å
49E88.5Confident90Very high73 Ų7348.1 Ų48.134%0.34124%0.242SC..Hα-helixtrans-72.9-36.6176.7-71.9165.814100111.4I45 T46 G51 K52 F53I45-E49 HydrophobicContact CD1-CB 3.73Å; I45-E49 HydrophobicContact CG1-CB 3.36Å; I45-E49 HydrophobicContact CG1-CG 4.41Å; T46-E49 WeakPolarHBondContact CB-OE2 3.27Å; T46-E49 WeakPolarHBondContact CG2-OE2 3.27Å; T46-E49 PolarHBondContact N-OE2 3.48Å; T46-E49 WeakPolarHBondContact O-CB 3.32Å; T46-E49 PolarHBondContact O-N 3.08Å; T46-E49 VanDerWaalsContact OG1-CD 3.23Å; T46-E49 VanDerWaalsContact OG1-CG 3.28Å; T46-E49 WeakPolarHBondContact OG1-CG 3.48Å; T46-E49 PolarHBondContact OG1-N 2.94Å; T46-E49 PolarHBondContact OG1-OE2 2.86Å; E49-G51 VanDerWaalsContact C-N 3.35Å; E49-G51 PolarHBondContact O-N 3.48Å; E49-K52 PolarHBondContact O-N 3.08Å; E49-F53 WeakPolarHBondContact O-CB 3.33Å; E49-F53 PolarHBondContact O-N 3.15Å
50V92.1Very high89.9Confident0 Ų051.8 Ų51.80%027%0.268CS..Hα-helixtrans-55.1-51.5169.2173.50000110.3I41 I45 T46 K52 F53 Y54 V73 V78 P146I41-V50 HydrophobicContact CD1-CG2 4.42Å; I41-V50 HydrophobicContact CG1-CG2 4.28Å; I41-V50 HydrophobicContact CG2-CG2 3.76Å; I45-V50 HydrophobicContact CD1-CG2 4.14Å; I45-V50 HydrophobicContact CG1-CG2 4.24Å; I45-V50 HydrophobicContact CG2-CG2 3.53Å; T46-V50 PolarHBondContact O-N 2.91Å; V50-K52 PolarHBondContact O-N 3.3Å; V50-F53 PolarHBondContact O-N 3.41Å; V50-Y54 HydrophobicContact CG1-CD2 3.91Å; V50-Y54 HydrophobicContact CG1-CE2 3.95Å; V50-Y54 WeakPolarHBondContact O-CD2 3.44Å; V50-Y54 PolarHBondContact O-N 3.19Å; V50-Y54 VanDerWaalsContact O-N 3.15Å; V50-V73 HydrophobicContact CG1-CG1 4.44Å; V50-V73 HydrophobicContact CG1-CG2 4.28Å; V50-V78 HydrophobicContact CG1-CG1 3.93Å; V50-P146 HydrophobicContact CB-CB 4.21Å; V50-P146 HydrophobicContact CG1-CB 4.11Å; V50-P146 HydrophobicContact CG2-CB 4Å
51G92.4Very high89.9Confident1 Ų149.6 Ų49.61%0.0126%0.258CS..Hα-helixtrans-58.7-46.5178.100000113N47 E49 F53 Y54 E55N47-G51 PolarHBondContact O-N 3.2Å; N47-G51 VanDerWaalsContact O-N 3.14Å; E49-G51 VanDerWaalsContact C-N 3.35Å; E49-G51 PolarHBondContact O-N 3.48Å; G51-F53 PolarHBondContact O-N 3.48Å; G51-Y54 PolarHBondContact O-N 2.93Å; G51-E55 VanDerWaalsContact O-CB 3.29Å; G51-E55 WeakPolarHBondContact O-CB 3.42Å; G51-E55 PolarHBondContact O-N 3.44Å
52K90.9Very high89.7Confident137 Ų13754.1 Ų54.160%0.59629%0.287SS*.Hα-helixtrans-62.1-39.4177.3-74.8172.5-178.4177.30113N48 E49 V50 K56N48-K52 VanDerWaalsContact O-CG 3.3Å; N48-K52 WeakPolarHBondContact O-CG 3.49Å; N48-K52 PolarHBondContact O-N 3.2Å; E49-K52 PolarHBondContact O-N 3.08Å; V50-K52 PolarHBondContact O-N 3.3Å; K52-K56 VanDerWaalsContact O-CB 3.26Å; K52-K56 WeakPolarHBondContact O-CB 3.37Å; K52-K56 PolarHBondContact O-N 3.22Å
53F92.6Very high89.4Confident48 Ų4858.5 Ų58.521%0.21132%0.317CS..Hα-helixtrans-60.2-52.2177.1175.3-82.8000110.4E49 V50 G51 K56 L57 V95 P146E49-F53 WeakPolarHBondContact O-CB 3.33Å; E49-F53 PolarHBondContact O-N 3.15Å; V50-F53 PolarHBondContact O-N 3.41Å; G51-F53 PolarHBondContact O-N 3.48Å; F53-K56 PolarHBondContact O-N 3.37Å; F53-L57 HydrophobicContact CE1-CD2 4.08Å; F53-L57 WeakPolarHBondContact O-CB 3.49Å; F53-L57 PolarHBondContact O-N 3.11Å; F53-V95 HydrophobicContact CZ-CG1 4.08Å; F53-P146 HydrophobicContact CB-CB 4.25Å; F53-P146 HydrophobicContact CB-CG 4.32Å; F53-P146 HydrophobicContact CD1-CB 4.23Å; F53-P146 HydrophobicContact CD1-CG 3.4Å; F53-P146 HydrophobicContact CD2-CG 4.38Å; F53-P146 HydrophobicContact CE1-CG 3.66Å; F53-P146 HydrophobicContact CG-CB 4.22Å; F53-P146 HydrophobicContact CG-CG 3.79Å; F53-P146 HydrophobicContact CZ-CG 4.26Å
54Y94.4Very high89.2Confident3 Ų360.5 Ų60.51%0.01233%0.33CS..Hα-helixtrans-70.3-39.3-176.7-78.3-66.1000112.3V50 G51 K56 L57 M58 L71 H80 I96 P146 T147V50-Y54 HydrophobicContact CG1-CD2 3.91Å; V50-Y54 HydrophobicContact CG1-CE2 3.95Å; V50-Y54 WeakPolarHBondContact O-CD2 3.44Å; V50-Y54 PolarHBondContact O-N 3.19Å; V50-Y54 VanDerWaalsContact O-N 3.15Å; G51-Y54 PolarHBondContact O-N 2.93Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 2.93Å; Y54-L57 HydrophobicContact CD1-CD2 4.47Å; Y54-L57 PolarHBondContact O-N 3.19Å; Y54-L57 VanDerWaalsContact O-N 3.16Å; Y54-M58 HydrophobicContact CD1-CE 3.87Å; Y54-M58 VanDerWaalsContact O-CG 3.31Å; Y54-M58 WeakPolarHBondContact O-CG 3.37Å; Y54-M58 PolarHBondContact O-N 3.28Å; Y54-L71 HydrophobicContact CD2-CD1 4.34Å; Y54-L71 HydrophobicContact CD2-CD2 3.39Å; Y54-L71 HydrophobicContact CE2-CD2 4.3Å; Y54-L71 HydrophobicContact CG-CD2 3.69Å; Y54-H80 AromaticContact CD1-CE1 3.42Å; Y54-H80 VanDerWaalsContact CD1-CE1 3.42Å; Y54-H80 WeakPolarHBondContact CD1-CE1 3.42Å; Y54-H80 AromaticContact CD1-ND1 3.89Å; Y54-H80 AromaticContact CE1-CE1 3.56Å; Y54-H80 AromaticContact CE1-ND1 3.62Å; Y54-I96 HydrophobicContact CE1-CD1 3.87Å; Y54-I96 HydrophobicContact CE1-CG1 3.98Å; Y54-P146 HydrophobicContact CD2-CG 4.29Å; Y54-P146 HydrophobicContact CE2-CB 4.08Å; Y54-P146 HydrophobicContact CE2-CG 3.65Å; Y54-T147 HydrophobicContact CE2-CG2 4Å; Y54-T147 PolarHBondContact OH-OG1 2.7Å
55E92.7Very high89.3Confident115 Ų11562.3 Ų62.354%0.53734%0.34SS..Hα-helixtrans-58.5-43.6173.3-174.9-179.4-120.900111.5G51 S59G51-E55 VanDerWaalsContact O-CB 3.29Å; G51-E55 WeakPolarHBondContact O-CB 3.42Å; G51-E55 PolarHBondContact O-N 3.44Å; E55-S59 VanDerWaalsContact O-CB 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.28Å; E55-S59 PolarHBondContact O-N 3.11Å; E55-S59 PolarHBondContact O-OG 2.8Å
56K92.9Very high89.6Confident163 Ų16364.1 Ų64.171%0.70935%0.348SS*.Hα-helixtrans-64.3-41174.5-175.3-179178.1-175.20112.2K52 F53 Y54 S59 S60K52-K56 VanDerWaalsContact O-CB 3.26Å; K52-K56 WeakPolarHBondContact O-CB 3.37Å; K52-K56 PolarHBondContact O-N 3.22Å; F53-K56 PolarHBondContact O-N 3.37Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 2.93Å; K56-S59 WeakPolarHBondContact CA-OG 3.05Å; K56-S59 PolarHBondContact O-OG 3.27Å; K56-S59 VanDerWaalsContact O-OG 3.05Å; K56-S60 PolarHBondContact O-N 2.92Å
57L93.8Very high90.2Very high19 Ų1961.6 Ų61.610%0.09933%0.332CS..Hα-helixtrans-64.2-50.3177.7178.956.2000110.8F53 Y54 S59 S60 F61 V92 V95F53-L57 HydrophobicContact CE1-CD2 4.08Å; F53-L57 WeakPolarHBondContact O-CB 3.49Å; F53-L57 PolarHBondContact O-N 3.11Å; Y54-L57 HydrophobicContact CD1-CD2 4.47Å; Y54-L57 PolarHBondContact O-N 3.19Å; Y54-L57 VanDerWaalsContact O-N 3.16Å; L57-S59 PolarHBondContact O-N 3.48Å; L57-S60 WeakPolarHBondContact O-CB 3.48Å; L57-S60 PolarHBondContact O-N 3.35Å; L57-S60 PolarHBondContact O-OG 3Å; L57-F61 HydrophobicContact CD1-CE2 4.05Å; L57-F61 HydrophobicContact CG-CE2 4.45Å; L57-F61 VanDerWaalsContact O-CD2 3.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.44Å; L57-F61 WeakPolarHBondContact O-CE2 3.26Å; L57-V92 HydrophobicContact CD2-CG1 4.15Å; L57-V95 HydrophobicContact CD1-CB 4.13Å; L57-V95 HydrophobicContact CD1-CG1 3.93Å; L57-V95 HydrophobicContact CD1-CG2 4.05Å; L57-V95 HydrophobicContact CD2-CB 4.16Å; L57-V95 HydrophobicContact CD2-CG1 3.88Å
58M94.7Very high90.7Very high7 Ų759.8 Ų59.83%0.03432%0.322CS..Hα-helixtrans-67.9-36.4-177.7-60.1-43141.500112.7Y54 S60 F61 I67 H80 V92 Y167Y54-M58 HydrophobicContact CD1-CE 3.87Å; Y54-M58 VanDerWaalsContact O-CG 3.31Å; Y54-M58 WeakPolarHBondContact O-CG 3.37Å; Y54-M58 PolarHBondContact O-N 3.28Å; M58-S60 PolarHBondContact O-N 3.38Å; M58-F61 PolarHBondContact O-N 3.35Å; M58-F61 VanDerWaalsContact O-N 3.1Å; M58-I67 HydrophobicContact CB-CB 4.37Å; M58-I67 HydrophobicContact CB-CG2 4.46Å; M58-I67 HydrophobicContact CG-CG2 4.17Å; M58-I67 HydrophobicContact SD-CB 4.16Å; M58-I67 HydrophobicContact SD-CD1 3.38Å; M58-I67 WeakPolarHBondContact SD-CD1 3.31Å; M58-I67 HydrophobicContact SD-CG1 4.36Å; M58-I67 HydrophobicContact SD-CG2 3.71Å; M58-H80 VanDerWaalsContact CE-CE1 3.41Å; M58-H80 WeakPolarHBondContact CE-CE1 3.4Å; M58-V92 HydrophobicContact CE-CG1 3.83Å; M58-V92 HydrophobicContact CE-CG2 4.37Å; M58-V92 HydrophobicContact SD-CG2 4.11Å; M58-Y167 HydrophobicContact CB-CD1 3.96Å; M58-Y167 HydrophobicContact CB-CD2 4.3Å; M58-Y167 HydrophobicContact CB-CE1 4.14Å; M58-Y167 HydrophobicContact CB-CE2 4.48Å; M58-Y167 HydrophobicContact CB-CG 4.02Å; M58-Y167 HydrophobicContact CG-CD1 3.88Å; M58-Y167 HydrophobicContact CG-CD2 3.79Å; M58-Y167 HydrophobicContact CG-CE1 3.62Å; M58-Y167 HydrophobicContact CG-CE2 3.53Å; M58-Y167 HydrophobicContact CG-CG 3.94Å; M58-Y167 VanDerWaalsContact CG-CZ 3.41Å; M58-Y167 HydrophobicContact SD-CE2 4.39Å
59S92.8Very high91.3Very high84 Ų8454.8 Ų54.859%0.58730%0.295SS*.Hα-helixtrans-67.2-13.7176.256.40000114E55 K56 L57 F61E55-S59 VanDerWaalsContact O-CB 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.28Å; E55-S59 PolarHBondContact O-N 3.11Å; E55-S59 PolarHBondContact O-OG 2.8Å; K56-S59 WeakPolarHBondContact CA-OG 3.05Å; K56-S59 PolarHBondContact O-OG 3.27Å; K56-S59 VanDerWaalsContact O-OG 3.05Å; L57-S59 PolarHBondContact O-N 3.48Å; S59-F61 VanDerWaalsContact C-N 3.25Å; S59-F61 PolarHBondContact O-N 3.31Å
60S93.3Very high91.7Very high78 Ų7851.3 Ų51.355%0.54528%0.279SS..THydrogen-bonded Turntrans-74.1-15.3172.476.30000113.7K56 L57 M58K56-S60 PolarHBondContact O-N 2.92Å; L57-S60 WeakPolarHBondContact O-CB 3.48Å; L57-S60 PolarHBondContact O-N 3.35Å; L57-S60 PolarHBondContact O-OG 3Å; M58-S60 PolarHBondContact O-N 3.38Å
61F93.3Very high91.9Very high26 Ų2651.3 Ų51.311%0.11428%0.279CS..  trans-97.3117.3178.1-63.8-93.2000110.7L57 M58 S59 I67 E91 V92L57-F61 HydrophobicContact CD1-CE2 4.05Å; L57-F61 HydrophobicContact CG-CE2 4.45Å; L57-F61 VanDerWaalsContact O-CD2 3.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.44Å; L57-F61 WeakPolarHBondContact O-CE2 3.26Å; M58-F61 PolarHBondContact O-N 3.35Å; M58-F61 VanDerWaalsContact O-N 3.1Å; S59-F61 VanDerWaalsContact C-N 3.25Å; S59-F61 PolarHBondContact O-N 3.31Å; F61-I67 HydrophobicContact CB-CD1 3.94Å; F61-I67 HydrophobicContact CB-CG1 3.88Å; F61-I67 HydrophobicContact CD1-CD1 4.16Å; F61-I67 HydrophobicContact CD2-CD1 3.31Å; F61-I67 HydrophobicContact CD2-CG1 4.21Å; F61-I67 HydrophobicContact CE2-CD1 3.79Å; F61-I67 HydrophobicContact CG-CD1 3.53Å; F61-I67 HydrophobicContact CG-CG1 4Å; F61-I67 HydrophobicContact CZ-CD1 4.39Å; F61-E91 HydrophobicContact CE1-CB 3.86Å; F61-E91 WeakPolarHBondContact CE1-OE2 3.45Å; F61-E91 HydrophobicContact CZ-CB 3.91Å; F61-V92 HydrophobicContact CD2-CG2 4.32Å; F61-V92 HydrophobicContact CE1-CG2 4.43Å; F61-V92 HydrophobicContact CE2-CG2 3.53Å; F61-V92 HydrophobicContact CZ-CG2 3.6Å
62T88.4Confident92Very high106 Ų10651.3 Ų51.365%0.6528%0.279SS*.  trans-106.5165.9179.958.80000111.9D65 H66T62-D65 CarbonylContact O-C 3.35Å; T62-D65 WeakPolarHBondContact O-CA 3.38Å; T62-D65 PolarHBondContact O-N 3.45Å; T62-H66 PolarHBondContact O-N 2.93Å; T62-H66 VanDerWaalsContact O-N 3.13Å
63S82.9Confident92.2Very high93 Ų9344.8 Ų44.865%0.6525%0.25SS*.THydrogen-bonded Turntrans-52.9143.2175.5-58.70000112.7D65S63-D65 VanDerWaalsContact C-N 3.33Å
64P79.6Confident92.2Very high82 Ų8242.5 Ų42.553%0.53224%0.24SC..THydrogen-bonded Turncis-76.9-15.64.332.6-35.9000114.2H66P64-H66 VanDerWaalsContact C-N 3.26Å; P64-H66 PolarHBondContact O-N 3.41Å; P64-H66 PolarHBondContact O-ND1 2.72Å; P64-H66 VanDerWaalsContact O-ND1 3.12Å
65D84Confident92Very high40 Ų4043.2 Ų43.221%0.21425%0.246CC..SBendtrans-84.916.3-171.6-86.2-32.6000115.2T62 S63 S84 S85 S88T62-D65 CarbonylContact O-C 3.35Å; T62-D65 WeakPolarHBondContact O-CA 3.38Å; T62-D65 PolarHBondContact O-N 3.45Å; S63-D65 VanDerWaalsContact C-N 3.33Å; D65-S84 PolarHBondContact O-OG 3.18Å; D65-S84 VanDerWaalsContact O-OG 3.12Å; D65-S85 VanDerWaalsContact OD1-CB 3.23Å; D65-S85 WeakPolarHBondContact OD1-CB 3.26Å; D65-S85 PolarHBondContact OD1-OG 3.35Å; D65-S88 VanDerWaalsContact CB-OG 3.22Å; D65-S88 WeakPolarHBondContact CB-OG 3.2Å; D65-S88 PolarHBondContact O-OG 3.46Å; D65-S88 PolarHBondContact OD1-OG 3.3Å
66H91.5Very high91.9Very high64 Ų6441.9 Ų41.930%0.29624%0.236SC..  trans-54.5144.7177.271.1-69.6000111.8T62 P64 S84 R162T62-H66 PolarHBondContact O-N 2.93Å; T62-H66 VanDerWaalsContact O-N 3.13Å; P64-H66 VanDerWaalsContact C-N 3.26Å; P64-H66 PolarHBondContact O-N 3.41Å; P64-H66 PolarHBondContact O-ND1 2.72Å; P64-H66 VanDerWaalsContact O-ND1 3.12Å; H66-S84 PolarHBondContact O-OG 3.46Å; H66-R162 PolarHBondContact O-NH2 3.46Å
67I94.9Very high92Very high11 Ų1134.2 Ų34.26%0.05620%0.203CC..  trans-97.7131.9-179.9-61.2177.4000109.1M58 F61 I82 V92 Y167M58-I67 HydrophobicContact CB-CB 4.37Å; M58-I67 HydrophobicContact CB-CG2 4.46Å; M58-I67 HydrophobicContact CG-CG2 4.17Å; M58-I67 HydrophobicContact SD-CB 4.16Å; M58-I67 HydrophobicContact SD-CD1 3.38Å; M58-I67 WeakPolarHBondContact SD-CD1 3.31Å; M58-I67 HydrophobicContact SD-CG1 4.36Å; M58-I67 HydrophobicContact SD-CG2 3.71Å; F61-I67 HydrophobicContact CB-CD1 3.94Å; F61-I67 HydrophobicContact CB-CG1 3.88Å; F61-I67 HydrophobicContact CD1-CD1 4.16Å; F61-I67 HydrophobicContact CD2-CD1 3.31Å; F61-I67 HydrophobicContact CD2-CG1 4.21Å; F61-I67 HydrophobicContact CE2-CD1 3.79Å; F61-I67 HydrophobicContact CG-CD1 3.53Å; F61-I67 HydrophobicContact CG-CG1 4Å; F61-I67 HydrophobicContact CZ-CD1 4.39Å; I67-I82 HydrophobicContact CG2-CG2 3.78Å; I67-V92 HydrophobicContact CD1-CG2 3.41Å; I67-V92 VanDerWaalsContact CD1-CG2 3.41Å; I67-Y167 HydrophobicContact CG2-CD2 4.15Å
68T95.2Very high92.1Very high1 Ų133.5 Ų33.51%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-118.2160.5168.459.60000108.9E83 R162 Y164T68-E83 PolarHBondContact N-O 2.83Å; T68-E83 VanDerWaalsContact N-O 3.09Å; T68-E83 PolarHBondContact O-N 2.8Å; T68-E83 WeakPolarHBondContact OG1-CB 3.44Å; T68-E83 PolarHBondContact OG1-OE2 3.12Å; T68-R162 WeakPolarHBondContact OG1-CD 3.35Å; T68-R162 PolarHBondContact OG1-NH1 2.92Å; T68-Y164 WeakPolarHBondContact CB-O 3.1Å; T68-Y164 PolarHBondContact OG1-O 3.21Å
69G96.2Very high92.2Very high0 Ų033.2 Ų33.20%020%0.198CC..EExtended strand (participates in β ladder)trans149.2-162.3-179.200000113.6I81 T166 Y167 E168G69-I81 VanDerWaalsContact CA-O 3.28Å; G69-I81 WeakPolarHBondContact CA-O 3.47Å; G69-T166 PolarHBondContact N-O 2.82Å; G69-T166 VanDerWaalsContact N-O 3.12Å; G69-Y167 WeakPolarHBondContact O-CA 3.37Å; G69-E168 PolarHBondContact O-N 3.36Å
70L96.5Very high92.4Very high0 Ų029.2 Ų29.20%017%0.17CC..EExtended strand (participates in β ladder)trans-145.8128.7-176.7176.268.1000109.8M72 I81 Y164 E168 L170 L202 L206 L230L70-M72 HydrophobicContact CD2-CE 4.2Å; L70-M72 HydrophobicContact CD2-CG 3.93Å; L70-M72 HydrophobicContact CD2-SD 4.18Å; L70-M72 HydrophobicContact CG-CG 4.03Å; L70-I81 HydrophobicContact CB-CD1 4.32Å; L70-I81 PolarHBondContact N-O 3.36Å; L70-I81 VanDerWaalsContact N-O 3.07Å; L70-I81 PolarHBondContact O-N 3.41Å; L70-Y164 HydrophobicContact CB-CD1 4.39Å; L70-Y164 HydrophobicContact CB-CE1 3.61Å; L70-Y164 HydrophobicContact CD2-CE1 4.35Å; L70-E168 WeakPolarHBondContact CA-O 3.41Å; L70-E168 HydrophobicContact CD1-CB 3.95Å; L70-L170 HydrophobicContact CD1-CB 4.14Å; L70-L202 HydrophobicContact CD2-CD2 4.1Å; L70-L206 HydrophobicContact CD2-CD1 3.91Å; L70-L230 HydrophobicContact CD1-CD2 4.36Å
71L96.9Very high92.6Very high0 Ų025.7 Ų25.70%015%0.145CC..EExtended strand (participates in β ladder)trans-105.1115.9167.3177.263.6000109.5Y54 V73 V78 H80 Y167 E168 L169 L170Y54-L71 HydrophobicContact CD2-CD1 4.34Å; Y54-L71 HydrophobicContact CD2-CD2 3.39Å; Y54-L71 HydrophobicContact CE2-CD2 4.3Å; Y54-L71 HydrophobicContact CG-CD2 3.69Å; L71-V73 HydrophobicContact CD1-CG2 4.44Å; L71-V73 HydrophobicContact CD2-CG2 4.09Å; L71-V73 HydrophobicContact CG-CG2 3.85Å; L71-V78 HydrophobicContact CD1-CB 3.92Å; L71-V78 HydrophobicContact CD1-CG1 4.29Å; L71-V78 HydrophobicContact CD1-CG2 4.39Å; L71-H80 HydrophobicContact CD1-CB 3.74Å; L71-Y167 WeakPolarHBondContact CB-OH 3.46Å; L71-E168 PolarHBondContact N-O 3.18Å; L71-L169 HydrophobicContact CB-CD1 4.06Å; L71-L169 HydrophobicContact CD2-CD1 3.64Å; L71-L169 HydrophobicContact CG-CD1 3.85Å; L71-L170 PolarHBondContact O-N 2.86Å
72M95.7Very high92.8Very high0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-99.3119.4171.6-69.6-175.7-84.400109.4L70 Y74 V78 I79 I81 L170 F172 V199 L202L70-M72 HydrophobicContact CD2-CE 4.2Å; L70-M72 HydrophobicContact CD2-CG 3.93Å; L70-M72 HydrophobicContact CD2-SD 4.18Å; L70-M72 HydrophobicContact CG-CG 4.03Å; M72-Y74 HydrophobicContact CB-CE2 3.99Å; M72-V78 CarbonylContact O-C 3.45Å; M72-V78 WeakPolarHBondContact O-CA 3.29Å; M72-I79 HydrophobicContact CB-CB 4.28Å; M72-I79 HydrophobicContact CE-CB 3.95Å; M72-I79 HydrophobicContact CE-CD1 3.84Å; M72-I79 HydrophobicContact CE-CG2 3.93Å; M72-I79 PolarHBondContact N-O 3.07Å; M72-I79 PolarHBondContact O-N 3.16Å; M72-I81 HydrophobicContact CE-CD1 4.33Å; M72-L170 CarbonylContact C-O 3.51Å; M72-L170 WeakPolarHBondContact CA-O 3.44Å; M72-L170 HydrophobicContact CG-CB 4.33Å; M72-L170 HydrophobicContact CG-CD2 4.24Å; M72-F172 HydrophobicContact CB-CE2 3.91Å; M72-F172 HydrophobicContact CG-CE2 4.13Å; M72-F172 HydrophobicContact CG-CZ 4.45Å; M72-F172 HydrophobicContact SD-CE2 4.18Å; M72-F172 HydrophobicContact SD-CZ 4.28Å; M72-V199 HydrophobicContact CE-CG2 4.31Å; M72-L202 HydrophobicContact CE-CD2 4.15Å; M72-L202 HydrophobicContact SD-CD2 3.63Å
73V94.8Very high93.1Very high0 Ų019.4 Ų19.40%011%0.108CC..EExtended strand (participates in β ladder)trans-108.5110.2-178.2-172.90000109.2I41 N47 V50 L71 V78 L169 L170 V171 F172I41-V73 HydrophobicContact CD1-CG1 3.67Å; N47-V73 HydrophobicContact CB-CG1 3.71Å; V50-V73 HydrophobicContact CG1-CG1 4.44Å; V50-V73 HydrophobicContact CG1-CG2 4.28Å; L71-V73 HydrophobicContact CD1-CG2 4.44Å; L71-V73 HydrophobicContact CD2-CG2 4.09Å; L71-V73 HydrophobicContact CG-CG2 3.85Å; V73-V78 HydrophobicContact CG1-CG1 4.28Å; V73-V78 HydrophobicContact CG2-CG1 4.27Å; V73-L169 HydrophobicContact CG2-CD1 3.74Å; V73-L170 PolarHBondContact N-O 3.5Å; V73-V171 HydrophobicContact CB-CG1 4.39Å; V73-V171 HydrophobicContact CB-CG2 4.22Å; V73-V171 HydrophobicContact CG2-CG2 4.36Å; V73-F172 PolarHBondContact O-N 3.09Å
74Y92.9Very high93.7Very high0 Ų015 Ų150%08%0.077CC..  trans-90.3171.8171.4-64-96000109.8I41 M72 Y76 H77 I79 F172 M174 P242 Q244 V247I41-Y74 WeakPolarHBondContact CD1-O 3.5Å; M72-Y74 HydrophobicContact CB-CE2 3.99Å; Y74-Y76 VanDerWaalsContact C-N 3.25Å; Y74-Y76 PolarHBondContact O-N 3.38Å; Y74-Y76 VanDerWaalsContact O-N 3.17Å; Y74-H77 WeakPolarHBondContact CA-O 3.47Å; Y74-H77 VanDerWaalsContact CB-O 3.28Å; Y74-H77 WeakPolarHBondContact CB-O 3.36Å; Y74-H77 PolarHBondContact N-O 3.28Å; Y74-I79 HydrophobicContact CE2-CD1 4.02Å; Y74-I79 HydrophobicContact CE2-CG1 4.04Å; Y74-F172 AromaticContact CD1-CD2 3.77Å; Y74-F172 HydrophobicContact CD1-CD2 3.77Å; Y74-F172 HydrophobicContact CD1-CE2 4.37Å; Y74-F172 HydrophobicContact CD2-CD2 4.16Å; Y74-F172 HydrophobicContact CD2-CE2 4.45Å; Y74-F172 AromaticContact CE1-CD2 3.64Å; Y74-F172 HydrophobicContact CE1-CD2 3.64Å; Y74-F172 AromaticContact CE1-CE2 3.8Å; Y74-F172 HydrophobicContact CE1-CE2 3.8Å; Y74-F172 HydrophobicContact CE2-CD2 4Å; Y74-F172 AromaticContact CE2-CE2 3.86Å; Y74-F172 HydrophobicContact CE2-CE2 3.86Å; Y74-F172 HydrophobicContact CG-CD2 4.04Å; Y74-F172 AromaticContact CZ-CD2 3.76Å; Y74-F172 AromaticContact CZ-CE2 3.51Å; Y74-M174 HydrophobicContact CD1-CE 3.71Å; Y74-M174 HydrophobicContact CD1-SD 4.21Å; Y74-M174 HydrophobicContact CE1-CE 4.15Å; Y74-M174 HydrophobicContact CE1-SD 4.39Å; Y74-P242 VanDerWaalsContact CE1-O 3.31Å; Y74-P242 WeakPolarHBondContact CE1-O 3.28Å; Y74-P242 PolarHBondContact OH-O 3.31Å; Y74-Q244 HydrophobicContact CD1-CB 3.78Å; Y74-Q244 HydrophobicContact CD1-CG 4.19Å; Y74-Q244 HydrophobicContact CE1-CB 4.29Å; Y74-Q244 HydrophobicContact CG-CB 4.48Å; Y74-Q244 HydrophobicContact CG-CG 4.45Å; Y74-V247 HydrophobicContact CE2-CG2 4.06Å
75P89.8Confident94.3Very high19 Ų1911.5 Ų11.512%0.1236%0.055CC..SBendtrans-51.4-36.7177.6-31.435.3000116M174 P176P75-M174 HydrophobicContact CG-CB 4.48Å; P75-M174 VanDerWaalsContact CG-O 3.22Å; P75-M174 WeakPolarHBondContact CG-O 3.24Å; P75-P176 HydrophobicContact CB-CG 4.26Å
76Y89.8Confident94.6Very high87 Ų8712.4 Ų12.434%0.3416%0.057SC..SBendtrans-128.9-5-176.6-58.9-47.7000114.7K40 I41 Y74 P176K40-Y76 CarbonylContact C-O 3.59Å; K40-Y76 WeakPolarHBondContact CA-O 3.34Å; I41-Y76 PolarHBondContact N-O 2.9Å; Y74-Y76 VanDerWaalsContact C-N 3.25Å; Y74-Y76 PolarHBondContact O-N 3.38Å; Y74-Y76 VanDerWaalsContact O-N 3.17Å; Y76-P176 HydrophobicContact CD2-CB 4.46Å; Y76-P176 HydrophobicContact CE2-CB 3.51Å; Y76-P176 HydrophobicContact CE2-CG 4.12Å; Y76-P176 WeakPolarHBondContact OH-CB 3.27Å
77H94.2Very high94.6Very high2 Ų217.2 Ų17.21%0.0097%0.073CC..EExtended strand (participates in β ladder)trans-142.2161.1-171.6-60.684.2000110.4G39 Y74 I179 V247 A251 D252G39-H77 CarbonylContact O-C 3.59Å; G39-H77 VanDerWaalsContact O-CA 3.23Å; G39-H77 WeakPolarHBondContact O-CA 3.48Å; Y74-H77 WeakPolarHBondContact CA-O 3.47Å; Y74-H77 VanDerWaalsContact CB-O 3.28Å; Y74-H77 WeakPolarHBondContact CB-O 3.36Å; Y74-H77 PolarHBondContact N-O 3.28Å; H77-I179 WeakPolarHBondContact CE1-CD1 3.3Å; H77-V247 HydrophobicContact CB-CG1 3.83Å; H77-A251 VanDerWaalsContact CD2-CB 3.45Å; H77-A251 WeakPolarHBondContact CD2-CB 3.43Å; H77-D252 IonicContact CD2-OD2 3.32Å; H77-D252 IonicContact CE1-OD2 3.96Å; H77-D252 IonicContact NE2-OD1 2.81Å; H77-D252 IonicContact NE2-OD2 3.54Å; H77-D252 PolarHBondContact NE2-OD2 3.18Å
78V95.9Very high94.5Very high3 Ų316.8 Ų16.82%0.0187%0.071CC..EExtended strand (participates in β ladder)trans-125.9150.2171.6-57.60000110.4V38 G39 I41 V50 L71 M72 V73 T147V38-V78 VanDerWaalsContact CA-O 3.28Å; V38-V78 WeakPolarHBondContact CA-O 3.47Å; G39-V78 PolarHBondContact N-O 2.53Å; G39-V78 PolarHBondContact O-N 3.44Å; I41-V78 HydrophobicContact CD1-CG1 4.1Å; I41-V78 HydrophobicContact CG1-CG1 3.82Å; V50-V78 HydrophobicContact CG1-CG1 3.93Å; L71-V78 HydrophobicContact CD1-CB 3.92Å; L71-V78 HydrophobicContact CD1-CG1 4.29Å; L71-V78 HydrophobicContact CD1-CG2 4.39Å; M72-V78 CarbonylContact O-C 3.45Å; M72-V78 WeakPolarHBondContact O-CA 3.29Å; V73-V78 HydrophobicContact CG1-CG1 4.28Å; V73-V78 HydrophobicContact CG2-CG1 4.27Å; V78-T147 HydrophobicContact CG1-CG2 4.24Å; V78-T147 HydrophobicContact CG2-CG2 3.71Å
79I97.3Very high94.4Very high1 Ų116.7 Ų16.71%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-111.9128.8156.5-54.4174.7000106.5V36 L37 V38 M72 Y74 I81 L195 V199 P242 V247V36-I79 HydrophobicContact CG1-CG2 3.9Å; L37-I79 CarbonylContact O-C 3.58Å; L37-I79 WeakPolarHBondContact O-CA 3.18Å; V38-I79 HydrophobicContact CG1-CG1 4.18Å; M72-I79 HydrophobicContact CB-CB 4.28Å; M72-I79 HydrophobicContact CE-CB 3.95Å; M72-I79 HydrophobicContact CE-CD1 3.84Å; M72-I79 HydrophobicContact CE-CG2 3.93Å; M72-I79 PolarHBondContact N-O 3.07Å; M72-I79 PolarHBondContact O-N 3.16Å; Y74-I79 HydrophobicContact CE2-CD1 4.02Å; Y74-I79 HydrophobicContact CE2-CG1 4.04Å; I79-I81 HydrophobicContact CG2-CG1 4.39Å; I79-L195 HydrophobicContact CD1-CD1 4.35Å; I79-V199 HydrophobicContact CD1-CG2 4.27Å; I79-P242 HydrophobicContact CD1-CB 3.91Å; I79-P242 HydrophobicContact CD1-CG 3.82Å; I79-V247 HydrophobicContact CD1-CG1 4.38Å; I79-V247 HydrophobicContact CD1-CG2 3.54Å; I79-V247 HydrophobicContact CG1-CB 4.4Å; I79-V247 HydrophobicContact CG1-CG1 3.66Å; I79-V247 HydrophobicContact CG1-CG2 3.78Å
80H97.5Very high94.3Very high1 Ų117.1 Ų17.11%0.0057%0.072CC..EExtended strand (participates in β ladder)trans-127.9111-176-172.7-171.3000110.2L37 Y54 M58 L71 I82 Y167L37-H80 HydrophobicContact CB-CB 4.18Å; L37-H80 PolarHBondContact N-O 2.91Å; L37-H80 PolarHBondContact O-N 2.96Å; Y54-H80 AromaticContact CD1-CE1 3.42Å; Y54-H80 VanDerWaalsContact CD1-CE1 3.42Å; Y54-H80 WeakPolarHBondContact CD1-CE1 3.42Å; Y54-H80 AromaticContact CD1-ND1 3.89Å; Y54-H80 AromaticContact CE1-CE1 3.56Å; Y54-H80 AromaticContact CE1-ND1 3.62Å; M58-H80 VanDerWaalsContact CE-CE1 3.41Å; M58-H80 WeakPolarHBondContact CE-CE1 3.4Å; L71-H80 HydrophobicContact CD1-CB 3.74Å; H80-I82 WeakPolarHBondContact NE2-CG1 3.45Å; H80-Y167 PolarHBondContact CD2-OH 3.38Å; H80-Y167 AromaticContact NE2-CE2 3.47Å; H80-Y167 WeakPolarHBondContact NE2-CE2 3.24Å; H80-Y167 AromaticContact NE2-CZ 3.51Å; H80-Y167 PolarHBondContact NE2-OH 2.72Å
81I97.5Very high94.2Very high3 Ų320.5 Ų20.52%0.0159%0.088CC..EExtended strand (participates in β ladder)trans-99.8122.8178.8-52.5166.1000107.3V35 V36 G69 L70 M72 I79 Y164 V199V35-I81 CarbonylContact O-C 3.53Å; V35-I81 VanDerWaalsContact O-CA 3.31Å; V35-I81 WeakPolarHBondContact O-CA 3.48Å; V36-I81 HydrophobicContact CG1-CG1 4.44Å; V36-I81 HydrophobicContact CG2-CG1 4.33Å; G69-I81 VanDerWaalsContact CA-O 3.28Å; G69-I81 WeakPolarHBondContact CA-O 3.47Å; L70-I81 HydrophobicContact CB-CD1 4.32Å; L70-I81 PolarHBondContact N-O 3.36Å; L70-I81 VanDerWaalsContact N-O 3.07Å; L70-I81 PolarHBondContact O-N 3.41Å; M72-I81 HydrophobicContact CE-CD1 4.33Å; I79-I81 HydrophobicContact CG2-CG1 4.39Å; I81-Y164 HydrophobicContact CB-CE2 4.5Å; I81-Y164 VanDerWaalsContact CD1-OH 3.29Å; I81-Y164 WeakPolarHBondContact CD1-OH 3.21Å; I81-Y164 HydrophobicContact CG2-CE2 3.83Å; I81-V199 HydrophobicContact CD1-CG1 3.34Å; I81-V199 HydrophobicContact CG1-CG1 4.15Å
82I97Very high94.1Very high0 Ų020.5 Ų20.50%09%0.088CC..EExtended strand (participates in β ladder)trans-125.7123.6-176.7-57169.1000108.4S34 V35 L37 I67 H80 L89 V92 F93S34-I82 CarbonylContact C-O 3.59Å; S34-I82 WeakPolarHBondContact CA-O 3.43Å; V35-I82 PolarHBondContact N-O 2.88Å; V35-I82 PolarHBondContact O-N 3.02Å; L37-I82 HydrophobicContact CD1-CD1 3.81Å; I67-I82 HydrophobicContact CG2-CG2 3.78Å; H80-I82 WeakPolarHBondContact NE2-CG1 3.45Å; I82-L89 HydrophobicContact CB-CD1 4.15Å; I82-L89 HydrophobicContact CG2-CD1 3.79Å; I82-V92 HydrophobicContact CD1-CG1 3.92Å; I82-F93 HydrophobicContact CD1-CE1 4.18Å
83E95.8Very high94.1Very high0 Ų020.5 Ų20.50%09%0.088CC..EExtended strand (participates in β ladder)trans-112.7118.1170.3-63.3-179.6145.400109.7Y33 T68 I159 R162 I163 Y164Y33-E83 CarbonylContact O-C 3.56Å; Y33-E83 WeakPolarHBondContact O-CA 3.32Å; T68-E83 PolarHBondContact N-O 2.83Å; T68-E83 VanDerWaalsContact N-O 3.09Å; T68-E83 PolarHBondContact O-N 2.8Å; T68-E83 WeakPolarHBondContact OG1-CB 3.44Å; T68-E83 PolarHBondContact OG1-OE2 3.12Å; E83-I159 HydrophobicContact CG-CD1 4.37Å; E83-R162 VanDerWaalsContact C-NH1 3.34Å; E83-R162 PolarHBondContact O-NH1 3.46Å; E83-R162 WeakPolarHBondContact OE2-CB 3.35Å; E83-I163 WeakPolarHBondContact OE1-CB 3.38Å; E83-I163 PolarHBondContact OE1-N 3.13Å; E83-I163 PolarHBondContact OE2-N 2.79Å; E83-Y164 HydrophobicContact CG-CD2 4.4Å; E83-Y164 WeakPolarHBondContact OE2-CB 3.18Å; E83-Y164 PolarHBondContact OE2-N 3.22Å
84S94.4Very high94Very high0 Ų025.2 Ų25.20%011%0.106CC..EExtended strand (participates in β ladder)trans-166.1-178.8173.9-158.60000112.1Y33 D65 H66 S88Y33-S84 PolarHBondContact N-O 3.02Å; Y33-S84 PolarHBondContact O-N 2.93Å; D65-S84 PolarHBondContact O-OG 3.18Å; D65-S84 VanDerWaalsContact O-OG 3.12Å; H66-S84 PolarHBondContact O-OG 3.46Å; S84-S88 VanDerWaalsContact OG-CB 3.28Å; S84-S88 WeakPolarHBondContact OG-CB 3.49Å
85S91.9Very high94Very high9 Ų927.9 Ų27.96%0.06312%0.122CC..EExtended strand (participates in β ladder)trans-62.9155.8168.772.80000110.6V31 D65 R87 S88 L89V31-S85 WeakPolarHBondContact O-CA 3.27Å; D65-S85 VanDerWaalsContact OD1-CB 3.23Å; D65-S85 WeakPolarHBondContact OD1-CB 3.26Å; D65-S85 PolarHBondContact OD1-OG 3.35Å; S85-R87 PolarHBondContact O-N 3.34Å; S85-S88 PolarHBondContact O-N 3Å; S85-S88 PolarHBondContact OG-N 2.92Å; S85-S88 PolarHBondContact OG-OG 3.37Å; S85-L89 WeakPolarHBondContact O-CB 3.37Å; S85-L89 PolarHBondContact O-N 3.4Å
86F91Very high94.2Very high59 Ų5927 Ų2726%0.25912%0.117SC..Hα-helixtrans-54-39.9175.7-175.8-105000112Y33 L89 M90 Y269Y33-F86 HydrophobicContact CD1-CD2 4.34Å; Y33-F86 HydrophobicContact CD2-CB 3.88Å; Y33-F86 AromaticContact CE1-CD2 3.94Å; Y33-F86 HydrophobicContact CE1-CD2 3.94Å; Y33-F86 HydrophobicContact CE2-CB 3.55Å; Y33-F86 HydrophobicContact CE2-CD2 4.31Å; Y33-F86 HydrophobicContact CE2-CG 4.34Å; Y33-F86 AromaticContact CZ-CD2 3.93Å; F86-L89 WeakPolarHBondContact O-CB 3.42Å; F86-L89 PolarHBondContact O-N 3.02Å; F86-M90 HydrophobicContact CD1-CG 4.09Å; F86-M90 HydrophobicContact CD2-CE 3.97Å; F86-M90 HydrophobicContact CE1-CG 3.59Å; F86-M90 HydrophobicContact CE1-SD 4.22Å; F86-M90 HydrophobicContact CE2-CE 3.53Å; F86-M90 HydrophobicContact CE2-CG 4.1Å; F86-M90 HydrophobicContact CE2-SD 3.82Å; F86-M90 HydrophobicContact CZ-CE 3.93Å; F86-M90 HydrophobicContact CZ-CG 3.58Å; F86-M90 HydrophobicContact CZ-SD 3.55Å; F86-M90 VanDerWaalsContact CZ-SD 3.55Å; F86-M90 WeakPolarHBondContact O-CG 3.47Å; F86-M90 PolarHBondContact O-N 3.32Å; F86-Y269 HydrophobicContact CE1-CD1 4.33Å; F86-Y269 HydrophobicContact CE1-CE1 4.43Å; F86-Y269 HydrophobicContact CE2-CD1 4.44Å; F86-Y269 AromaticContact CE2-CE1 3.94Å; F86-Y269 HydrophobicContact CE2-CE1 3.94Å; F86-Y269 HydrophobicContact CE2-CE2 4.47Å; F86-Y269 AromaticContact CE2-CZ 3.95Å; F86-Y269 AromaticContact CZ-CD1 3.56Å; F86-Y269 HydrophobicContact CZ-CD1 3.56Å; F86-Y269 HydrophobicContact CZ-CD2 4.41Å; F86-Y269 AromaticContact CZ-CE1 3.44Å; F86-Y269 HydrophobicContact CZ-CE1 3.44Å; F86-Y269 VanDerWaalsContact CZ-CE1 3.44Å; F86-Y269 HydrophobicContact CZ-CE2 4.36Å; F86-Y269 HydrophobicContact CZ-CG 4.04Å; F86-Y269 AromaticContact CZ-CZ 3.87Å
87R90.6Very high94.4Very high165 Ų16523.3 Ų23.362%0.62310%0.103SC*.Hα-helixtrans-59-55-179.9-177.8-173172.1100.710.5111.4S85 L89 M90 E91S85-R87 PolarHBondContact O-N 3.34Å; R87-L89 VanDerWaalsContact C-N 3.3Å; R87-L89 PolarHBondContact O-N 2.89Å; R87-M90 PolarHBondContact O-N 3.46Å; R87-E91 IonicContact CZ-OE1 3.75Å; R87-E91 IonicContact NE-OE1 3.37Å; R87-E91 PolarHBondContact NE-OE1 3.04Å; R87-E91 IonicContact NH2-OE1 3.36Å; R87-E91 PolarHBondContact NH2-OE1 2.88Å; R87-E91 PolarHBondContact O-N 3.34Å; R87-E91 VanDerWaalsContact O-N 3.11Å
88S93.3Very high94.2Very high2 Ų229.6 Ų29.61%0.01413%0.13CC..Hα-helixtrans-63.2-39.1179.7-60.70000112D65 S84 S85 M90 E91 V92D65-S88 VanDerWaalsContact CB-OG 3.22Å; D65-S88 WeakPolarHBondContact CB-OG 3.2Å; D65-S88 PolarHBondContact O-OG 3.46Å; D65-S88 PolarHBondContact OD1-OG 3.3Å; S84-S88 VanDerWaalsContact OG-CB 3.28Å; S84-S88 WeakPolarHBondContact OG-CB 3.49Å; S85-S88 PolarHBondContact O-N 3Å; S85-S88 PolarHBondContact OG-N 2.92Å; S85-S88 PolarHBondContact OG-OG 3.37Å; S88-M90 VanDerWaalsContact C-N 3.35Å; S88-M90 PolarHBondContact O-N 3.45Å; S88-E91 PolarHBondContact O-N 3.16Å; S88-V92 WeakPolarHBondContact O-CG2 3.27Å; S88-V92 PolarHBondContact O-N 3.04Å
89L94.3Very high93.9Very high0 Ų030.4 Ų30.40%014%0.136CC..Hα-helixtrans-58.3-46.4176.3-173.771.9000111.4V35 I82 S85 F86 R87 E91 V92 F93V35-L89 HydrophobicContact CB-CD1 4.28Å; V35-L89 HydrophobicContact CG2-CD1 4Å; V35-L89 HydrophobicContact CG2-CD2 3.53Å; V35-L89 HydrophobicContact CG2-CG 4.36Å; I82-L89 HydrophobicContact CB-CD1 4.15Å; I82-L89 HydrophobicContact CG2-CD1 3.79Å; S85-L89 WeakPolarHBondContact O-CB 3.37Å; S85-L89 PolarHBondContact O-N 3.4Å; F86-L89 WeakPolarHBondContact O-CB 3.42Å; F86-L89 PolarHBondContact O-N 3.02Å; R87-L89 VanDerWaalsContact C-N 3.3Å; R87-L89 PolarHBondContact O-N 2.89Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-E91 PolarHBondContact O-N 2.87Å; L89-V92 PolarHBondContact O-N 3.12Å; L89-F93 HydrophobicContact CD1-CD1 4.27Å; L89-F93 HydrophobicContact CD1-CE1 3.42Å; L89-F93 VanDerWaalsContact CD1-CE1 3.42Å; L89-F93 HydrophobicContact CD1-CE2 4.15Å; L89-F93 HydrophobicContact CD1-CZ 3.36Å; L89-F93 HydrophobicContact CD2-CE2 3.93Å; L89-F93 HydrophobicContact CD2-CZ 3.85Å; L89-F93 HydrophobicContact CG-CD1 4.42Å; L89-F93 HydrophobicContact CG-CD2 4.27Å; L89-F93 HydrophobicContact CG-CE1 3.84Å; L89-F93 HydrophobicContact CG-CE2 3.69Å; L89-F93 HydrophobicContact CG-CZ 3.44Å; L89-F93 VanDerWaalsContact CG-CZ 3.44Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 WeakPolarHBondContact O-CD1 3.37Å; L89-F93 WeakPolarHBondContact O-CG 3.25Å; L89-F93 PolarHBondContact O-N 2.99Å
90M93.6Very high93.6Very high8 Ų830.6 Ų30.64%0.03914%0.137CC..Hα-helixtrans-65.1-36176.5-66.6-46.892.600112.4F86 R87 S88 F93 R94 Y265 M266 Y269F86-M90 HydrophobicContact CD1-CG 4.09Å; F86-M90 HydrophobicContact CD2-CE 3.97Å; F86-M90 HydrophobicContact CE1-CG 3.59Å; F86-M90 HydrophobicContact CE1-SD 4.22Å; F86-M90 HydrophobicContact CE2-CE 3.53Å; F86-M90 HydrophobicContact CE2-CG 4.1Å; F86-M90 HydrophobicContact CE2-SD 3.82Å; F86-M90 HydrophobicContact CZ-CE 3.93Å; F86-M90 HydrophobicContact CZ-CG 3.58Å; F86-M90 HydrophobicContact CZ-SD 3.55Å; F86-M90 VanDerWaalsContact CZ-SD 3.55Å; F86-M90 WeakPolarHBondContact O-CG 3.47Å; F86-M90 PolarHBondContact O-N 3.32Å; R87-M90 PolarHBondContact O-N 3.46Å; S88-M90 VanDerWaalsContact C-N 3.35Å; S88-M90 PolarHBondContact O-N 3.45Å; M90-F93 HydrophobicContact CE-CD2 3.58Å; M90-F93 HydrophobicContact CE-CE2 3.71Å; M90-F93 PolarHBondContact O-N 2.82Å; M90-F93 HydrophobicContact SD-CD2 4.29Å; M90-R94 WeakPolarHBondContact O-CB 3.34Å; M90-R94 VanDerWaalsContact O-CG 3.25Å; M90-R94 WeakPolarHBondContact O-CG 3.41Å; M90-R94 PolarHBondContact O-N 3.44Å; M90-Y265 HydrophobicContact CE-CE1 3.77Å; M90-Y265 HydrophobicContact SD-CE1 4.03Å; M90-M266 HydrophobicContact SD-SD 4.38Å; M90-Y269 HydrophobicContact SD-CD2 4.3Å; M90-Y269 HydrophobicContact SD-CG 4.5Å
91E93.8Very high93.2Very high72 Ų7235.3 Ų35.334%0.33616%0.159SC..Hα-helixtrans-64.1-43.8175-71.2-179.1-169.100111.5F61 R87 S88 L89 R94 V95F61-E91 HydrophobicContact CE1-CB 3.86Å; F61-E91 WeakPolarHBondContact CE1-OE2 3.45Å; F61-E91 HydrophobicContact CZ-CB 3.91Å; R87-E91 IonicContact CZ-OE1 3.75Å; R87-E91 IonicContact NE-OE1 3.37Å; R87-E91 PolarHBondContact NE-OE1 3.04Å; R87-E91 IonicContact NH2-OE1 3.36Å; R87-E91 PolarHBondContact NH2-OE1 2.88Å; R87-E91 PolarHBondContact O-N 3.34Å; R87-E91 VanDerWaalsContact O-N 3.11Å; S88-E91 PolarHBondContact O-N 3.16Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-E91 PolarHBondContact O-N 2.87Å; E91-R94 PolarHBondContact O-N 2.82Å; E91-V95 WeakPolarHBondContact O-CG2 3.49Å; E91-V95 PolarHBondContact O-N 2.99Å; E91-V95 VanDerWaalsContact O-N 3.16Å
92V94.7Very high92.7Very high0 Ų038.5 Ų38.50%018%0.178CC..Hα-helixtrans-60.6-48.4173.2171.50000111.3L57 M58 F61 I67 I82 S88 L89 R94 V95 I96L57-V92 HydrophobicContact CD2-CG1 4.15Å; M58-V92 HydrophobicContact CE-CG1 3.83Å; M58-V92 HydrophobicContact CE-CG2 4.37Å; M58-V92 HydrophobicContact SD-CG2 4.11Å; F61-V92 HydrophobicContact CD2-CG2 4.32Å; F61-V92 HydrophobicContact CE1-CG2 4.43Å; F61-V92 HydrophobicContact CE2-CG2 3.53Å; F61-V92 HydrophobicContact CZ-CG2 3.6Å; I67-V92 HydrophobicContact CD1-CG2 3.41Å; I67-V92 VanDerWaalsContact CD1-CG2 3.41Å; I82-V92 HydrophobicContact CD1-CG1 3.92Å; S88-V92 WeakPolarHBondContact O-CG2 3.27Å; S88-V92 PolarHBondContact O-N 3.04Å; L89-V92 PolarHBondContact O-N 3.12Å; V92-R94 VanDerWaalsContact C-N 3.3Å; V92-R94 PolarHBondContact O-N 3.44Å; V92-V95 PolarHBondContact O-N 2.93Å; V92-V95 VanDerWaalsContact O-N 3.07Å; V92-I96 HydrophobicContact CG1-CD1 3.72Å; V92-I96 HydrophobicContact CG1-CG1 4.33Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 3.14Å
93F95.5Very high92.2Very high0 Ų038.5 Ų38.50%018%0.178CC..Hα-helixtrans-60.6-41.5-179.4-68.6-4.3000111.4V35 L37 I82 L89 M90 V95 I96 T97 I152 L262 Y265 M266V35-F93 HydrophobicContact CB-CZ 4.16Å; V35-F93 HydrophobicContact CG1-CZ 3.92Å; V35-F93 HydrophobicContact CG2-CZ 4.11Å; L37-F93 HydrophobicContact CD1-CD1 4.38Å; L37-F93 HydrophobicContact CD1-CE1 3.81Å; L37-F93 HydrophobicContact CD2-CE1 4.43Å; L37-F93 HydrophobicContact CG-CE1 4.45Å; I82-F93 HydrophobicContact CD1-CE1 4.18Å; L89-F93 HydrophobicContact CD1-CD1 4.27Å; L89-F93 HydrophobicContact CD1-CE1 3.42Å; L89-F93 VanDerWaalsContact CD1-CE1 3.42Å; L89-F93 HydrophobicContact CD1-CE2 4.15Å; L89-F93 HydrophobicContact CD1-CZ 3.36Å; L89-F93 HydrophobicContact CD2-CE2 3.93Å; L89-F93 HydrophobicContact CD2-CZ 3.85Å; L89-F93 HydrophobicContact CG-CD1 4.42Å; L89-F93 HydrophobicContact CG-CD2 4.27Å; L89-F93 HydrophobicContact CG-CE1 3.84Å; L89-F93 HydrophobicContact CG-CE2 3.69Å; L89-F93 HydrophobicContact CG-CZ 3.44Å; L89-F93 VanDerWaalsContact CG-CZ 3.44Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 WeakPolarHBondContact O-CD1 3.37Å; L89-F93 WeakPolarHBondContact O-CG 3.25Å; L89-F93 PolarHBondContact O-N 2.99Å; M90-F93 HydrophobicContact CE-CD2 3.58Å; M90-F93 HydrophobicContact CE-CE2 3.71Å; M90-F93 PolarHBondContact O-N 2.82Å; M90-F93 HydrophobicContact SD-CD2 4.29Å; F93-V95 VanDerWaalsContact C-N 3.31Å; F93-V95 PolarHBondContact O-N 3.31Å; F93-I96 PolarHBondContact O-N 3.03Å; F93-T97 WeakPolarHBondContact O-CB 3.49Å; F93-T97 PolarHBondContact O-N 3.17Å; F93-T97 PolarHBondContact O-OG1 3.27Å; F93-I152 HydrophobicContact CE2-CD1 4.18Å; F93-L262 HydrophobicContact CB-CD1 3.98Å; F93-L262 HydrophobicContact CB-CD2 4.41Å; F93-L262 HydrophobicContact CB-CG 4.41Å; F93-L262 HydrophobicContact CD1-CD1 3.89Å; F93-L262 HydrophobicContact CD2-CD1 3.63Å; F93-L262 HydrophobicContact CE1-CD1 4.24Å; F93-L262 HydrophobicContact CE2-CD1 3.99Å; F93-L262 HydrophobicContact CG-CD1 3.58Å; F93-L262 HydrophobicContact CG-CG 4.47Å; F93-L262 HydrophobicContact CZ-CD1 4.27Å; F93-Y265 AromaticContact CD2-CD1 3.93Å; F93-Y265 HydrophobicContact CD2-CD1 3.93Å; F93-Y265 AromaticContact CD2-CE1 3.88Å; F93-Y265 HydrophobicContact CD2-CE1 3.88Å; F93-Y265 AromaticContact CE2-CD1 3.95Å; F93-Y265 HydrophobicContact CE2-CD1 3.95Å; F93-Y265 AromaticContact CE2-CE1 3.65Å; F93-Y265 HydrophobicContact CE2-CE1 3.65Å; F93-M266 HydrophobicContact CB-CG 4.28Å; F93-M266 HydrophobicContact CB-SD 3.41Å; F93-M266 WeakPolarHBondContact CB-SD 3.47Å; F93-M266 HydrophobicContact CD2-SD 4.23Å; F93-M266 HydrophobicContact CG-SD 4.36Å
94R93.7Very high91.8Very high98 Ų9840.8 Ų40.837%0.3719%0.189SC..Hα-helixtrans-58.4-41.1173.5-76.4174.9-180132.72.6112.7M90 E91 V92 K98 M266 D270M90-R94 WeakPolarHBondContact O-CB 3.34Å; M90-R94 VanDerWaalsContact O-CG 3.25Å; M90-R94 WeakPolarHBondContact O-CG 3.41Å; M90-R94 PolarHBondContact O-N 3.44Å; E91-R94 PolarHBondContact O-N 2.82Å; V92-R94 VanDerWaalsContact C-N 3.3Å; V92-R94 PolarHBondContact O-N 3.44Å; R94-K98 VanDerWaalsContact O-CB 3.23Å; R94-K98 WeakPolarHBondContact O-CB 3.23Å; R94-K98 WeakPolarHBondContact O-CG 3.45Å; R94-K98 PolarHBondContact O-N 3.2Å; R94-M266 HydrophobicContact CG-CE 3.43Å; R94-M266 VanDerWaalsContact CG-CE 3.43Å; R94-M266 HydrophobicContact CG-SD 4.41Å; R94-D270 IonicContact CZ-OD1 2.68Å; R94-D270 IonicContact NE-OD1 3.95Å; R94-D270 IonicContact NH2-OD1 3.44Å; R94-D270 PolarHBondContact NH2-OD1 3.26Å
95V93.1Very high91.4Very high57 Ų5744 Ų4435%0.34521%0.211SC..Hα-helixtrans-65.4-46.4177.3174.40000110.5F53 L57 E91 V92 F93 S99F53-V95 HydrophobicContact CZ-CG1 4.08Å; L57-V95 HydrophobicContact CD1-CB 4.13Å; L57-V95 HydrophobicContact CD1-CG1 3.93Å; L57-V95 HydrophobicContact CD1-CG2 4.05Å; L57-V95 HydrophobicContact CD2-CB 4.16Å; L57-V95 HydrophobicContact CD2-CG1 3.88Å; E91-V95 WeakPolarHBondContact O-CG2 3.49Å; E91-V95 PolarHBondContact O-N 2.99Å; E91-V95 VanDerWaalsContact O-N 3.16Å; V92-V95 PolarHBondContact O-N 2.93Å; V92-V95 VanDerWaalsContact O-N 3.07Å; F93-V95 VanDerWaalsContact C-N 3.31Å; F93-V95 PolarHBondContact O-N 3.31Å; V95-S99 WeakPolarHBondContact O-CB 3.21Å; V95-S99 PolarHBondContact O-N 3.16Å; V95-S99 PolarHBondContact O-OG 2.99Å
96I93.9Very high91Very high1 Ų148.6 Ų48.61%0.00523%0.228CC..Hα-helixtrans-61.3-53.6178.6-62.3169.9000110.1L37 Y54 V92 F93 K98 S99 E100 L262L37-I96 HydrophobicContact CD1-CD1 4.26Å; Y54-I96 HydrophobicContact CE1-CD1 3.87Å; Y54-I96 HydrophobicContact CE1-CG1 3.98Å; V92-I96 HydrophobicContact CG1-CD1 3.72Å; V92-I96 HydrophobicContact CG1-CG1 4.33Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 3.14Å; F93-I96 PolarHBondContact O-N 3.03Å; I96-K98 PolarHBondContact O-N 3.02Å; I96-S99 PolarHBondContact O-N 3.36Å; I96-S99 PolarHBondContact O-OG 2.96Å; I96-E100 WeakPolarHBondContact O-CB 3.35Å; I96-E100 PolarHBondContact O-N 3.38Å; I96-L262 HydrophobicContact CB-CD2 3.83Å; I96-L262 HydrophobicContact CD1-CD2 4.47Å; I96-L262 HydrophobicContact CG2-CD2 3.59Å
97T93.1Very high90.7Very high9 Ų946.7 Ų46.76%0.05522%0.22CC..Hα-helixtrans-59.6-47-179.1-610000112.5F93 S99 E100 E101 K263F93-T97 WeakPolarHBondContact O-CB 3.49Å; F93-T97 PolarHBondContact O-N 3.17Å; F93-T97 PolarHBondContact O-OG1 3.27Å; T97-S99 VanDerWaalsContact C-N 3.29Å; T97-S99 PolarHBondContact O-N 3.07Å; T97-E100 WeakPolarHBondContact O-CB 3.34Å; T97-E100 PolarHBondContact O-N 3.06Å; T97-E101 HydrophobicContact CG2-CG 4.48Å; T97-E101 WeakPolarHBondContact O-CG 3.29Å; T97-E101 PolarHBondContact O-N 2.95Å; T97-K263 HydrophobicContact CG2-CG 3.64Å
98K90.7Very high90.4Very high134 Ų13443.7 Ų43.758%0.58322%0.216SC*.Hα-helixtrans-61.7-40.2177.1-75.4176.5-179-177.10111.7R94 I96 V102R94-K98 VanDerWaalsContact O-CB 3.23Å; R94-K98 WeakPolarHBondContact O-CB 3.23Å; R94-K98 WeakPolarHBondContact O-CG 3.45Å; R94-K98 PolarHBondContact O-N 3.2Å; I96-K98 PolarHBondContact O-N 3.02Å; K98-V102 WeakPolarHBondContact O-CG2 3.42Å; K98-V102 PolarHBondContact O-N 3.31Å
99S89.7Confident90Very high19 Ų1947.2 Ų47.213%0.13324%0.24CC..Hα-helixtrans-63.1-47176.775.60000110.4V95 I96 T97 E101 V102 I103 A145V95-S99 WeakPolarHBondContact O-CB 3.21Å; V95-S99 PolarHBondContact O-N 3.16Å; V95-S99 PolarHBondContact O-OG 2.99Å; I96-S99 PolarHBondContact O-N 3.36Å; I96-S99 PolarHBondContact O-OG 2.96Å; T97-S99 VanDerWaalsContact C-N 3.29Å; T97-S99 PolarHBondContact O-N 3.07Å; S99-E101 PolarHBondContact O-N 3.42Å; S99-V102 WeakPolarHBondContact O-CB 3.48Å; S99-V102 PolarHBondContact O-N 2.94Å; S99-I103 PolarHBondContact O-N 3.16Å; S99-I103 VanDerWaalsContact O-N 3.15Å; S99-A145 VanDerWaalsContact CB-CB 3.46Å; S99-A145 VanDerWaalsContact O-CB 3.28Å; S99-A145 WeakPolarHBondContact O-CB 3.07Å; S99-A145 WeakPolarHBondContact OG-CB 3.49Å
100E91.1Very high89.4Confident5 Ų549.5 Ų49.52%0.02325%0.249CC..Hα-helixtrans-59.2-41.8178.3-176.5-180-172.300112.4I96 T97 V102 I103 E104 H149 S150 K263I96-E100 WeakPolarHBondContact O-CB 3.35Å; I96-E100 PolarHBondContact O-N 3.38Å; T97-E100 WeakPolarHBondContact O-CB 3.34Å; T97-E100 PolarHBondContact O-N 3.06Å; E100-V102 PolarHBondContact O-N 3.45Å; E100-I103 WeakPolarHBondContact O-CG2 3.37Å; E100-I103 PolarHBondContact O-N 2.9Å; E100-E104 WeakPolarHBondContact O-CB 3.45Å; E100-E104 WeakPolarHBondContact O-CG 3.19Å; E100-E104 PolarHBondContact O-N 3.31Å; E100-H149 WeakPolarHBondContact OE1-CA 3.21Å; E100-H149 PolarHBondContact OE1-N 2.83Å; E100-S150 PolarHBondContact OE1-N 2.82Å; E100-K263 IonicContact OE1-NZ 3.88Å
101E89.4Confident89Confident101 Ų10149.2 Ų49.247%0.47225%0.248SC..Hα-helixtrans-61.4-41.9175.3-73.4172.4174.300112.6T97 S99 S105T97-E101 HydrophobicContact CG2-CG 4.48Å; T97-E101 WeakPolarHBondContact O-CG 3.29Å; T97-E101 PolarHBondContact O-N 2.95Å; S99-E101 PolarHBondContact O-N 3.42Å; E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 3.07Å
102V86.2Confident88.6Confident69 Ų6947.2 Ų47.242%0.41825%0.247SC..Hα-helixtrans-61.4-49.8177.7171.30000109.9K98 S99 E100 S105 Y106K98-V102 WeakPolarHBondContact O-CG2 3.42Å; K98-V102 PolarHBondContact O-N 3.31Å; S99-V102 WeakPolarHBondContact O-CB 3.48Å; S99-V102 PolarHBondContact O-N 2.94Å; E100-V102 PolarHBondContact O-N 3.45Å; V102-S105 WeakPolarHBondContact O-CB 3.39Å; V102-S105 PolarHBondContact O-N 2.9Å; V102-Y106 HydrophobicContact CG1-CD2 3.91Å; V102-Y106 HydrophobicContact CG1-CE2 3.75Å; V102-Y106 WeakPolarHBondContact O-CD2 3.33Å; V102-Y106 PolarHBondContact O-N 3.02Å; V102-Y106 VanDerWaalsContact O-N 3.12Å
103I86.7Confident88.1Confident1 Ų153.3 Ų53.31%0.00528%0.275CS..Hα-helixtrans-66.7-42.7-178.2-177.965.1000112.2H44 S99 E100 S105 Y106 M107 M138 L144 A145 I148H44-I103 WeakPolarHBondContact CE1-CD1 3.31Å; H44-I103 WeakPolarHBondContact ND1-CD1 3.41Å; S99-I103 PolarHBondContact O-N 3.16Å; S99-I103 VanDerWaalsContact O-N 3.15Å; E100-I103 WeakPolarHBondContact O-CG2 3.37Å; E100-I103 PolarHBondContact O-N 2.9Å; I103-S105 VanDerWaalsContact C-N 3.27Å; I103-S105 PolarHBondContact O-N 2.89Å; I103-Y106 WeakPolarHBondContact O-CB 3.28Å; I103-Y106 PolarHBondContact O-N 3.03Å; I103-Y106 VanDerWaalsContact O-N 3.1Å; I103-M107 HydrophobicContact CD1-CE 3.89Å; I103-M107 HydrophobicContact CD1-CG 4.29Å; I103-M107 HydrophobicContact CG1-CE 3.43Å; I103-M107 VanDerWaalsContact CG1-CE 3.43Å; I103-M107 HydrophobicContact CG1-CG 4.19Å; I103-M107 HydrophobicContact CG1-SD 4.11Å; I103-M107 WeakPolarHBondContact O-CG 3.45Å; I103-M107 PolarHBondContact O-N 2.98Å; I103-M138 HydrophobicContact CD1-CE 4.19Å; I103-M138 HydrophobicContact CD1-SD 3.62Å; I103-L144 HydrophobicContact CD1-CD2 3.53Å; I103-A145 HydrophobicContact CB-CB 4.24Å; I103-A145 HydrophobicContact CG2-CB 3.72Å; I103-I148 HydrophobicContact CG1-CG2 4.29Å; I103-I148 HydrophobicContact CG2-CG2 3.38Å
104E86.8Confident87.6Confident48 Ų4855.3 Ų55.322%0.22429%0.285CS..Hα-helixtrans-60.9-39.1176.4-81-179.7-160.400111.5E100 Y106 M107 N108 H149 K263E100-E104 WeakPolarHBondContact O-CB 3.45Å; E100-E104 WeakPolarHBondContact O-CG 3.19Å; E100-E104 PolarHBondContact O-N 3.31Å; E104-Y106 VanDerWaalsContact C-N 3.34Å; E104-Y106 PolarHBondContact O-N 3.15Å; E104-M107 PolarHBondContact O-N 3.45Å; E104-N108 VanDerWaalsContact O-CB 3.25Å; E104-N108 WeakPolarHBondContact O-CB 3.29Å; E104-N108 PolarHBondContact O-N 2.98Å; E104-N108 PolarHBondContact O-ND2 2.84Å; E104-N108 VanDerWaalsContact O-ND2 3.13Å; E104-H149 IonicContact OE1-CD2 3.95Å; E104-K263 IonicContact OE1-NZ 2.64Å; E104-K263 PolarHBondContact OE1-NZ 3.26Å; E104-K263 IonicContact OE2-NZ 3.86Å; E104-K263 PolarHBondContact OE2-NZ 3.35Å
105S85.8Confident87.2Confident66 Ų6651.1 Ų51.146%0.46227%0.27SS..Hα-helixtrans-58.9-45.3173.5-173.10000111.4E101 V102 I103 N108 C109E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 3.07Å; V102-S105 WeakPolarHBondContact O-CB 3.39Å; V102-S105 PolarHBondContact O-N 2.9Å; I103-S105 VanDerWaalsContact C-N 3.27Å; I103-S105 PolarHBondContact O-N 2.89Å; S105-N108 PolarHBondContact O-N 2.89Å; S105-C109 WeakPolarHBondContact O-CB 3.28Å; S105-C109 PolarHBondContact O-N 2.83Å; S105-C109 PolarHBondContact O-SG 2.94Å
106Y84.1Confident86.6Confident107 Ų10755.8 Ų55.842%0.4229%0.29SS..Hα-helixtrans-63.1-45.7176.5-84.6-76.6000112.2V102 I103 E104 N108 C109 Y110V102-Y106 HydrophobicContact CG1-CD2 3.91Å; V102-Y106 HydrophobicContact CG1-CE2 3.75Å; V102-Y106 WeakPolarHBondContact O-CD2 3.33Å; V102-Y106 PolarHBondContact O-N 3.02Å; V102-Y106 VanDerWaalsContact O-N 3.12Å; I103-Y106 WeakPolarHBondContact O-CB 3.28Å; I103-Y106 PolarHBondContact O-N 3.03Å; I103-Y106 VanDerWaalsContact O-N 3.1Å; E104-Y106 VanDerWaalsContact C-N 3.34Å; E104-Y106 PolarHBondContact O-N 3.15Å; Y106-N108 VanDerWaalsContact C-N 3.34Å; Y106-N108 PolarHBondContact O-N 3.36Å; Y106-C109 PolarHBondContact O-N 2.7Å; Y106-Y110 WeakPolarHBondContact O-CB 3.34Å; Y106-Y110 PolarHBondContact O-N 3.48Å
107M84.6Confident85.9Confident18 Ų1859.2 Ų59.29%0.08933%0.326CS..Hα-helixtrans-61.9-41.7178.5-67.7-179.8175.300111.7P43 I103 E104 Y110 A111 F127 M138 I148P43-M107 VanDerWaalsContact CD-CE 3.45Å; P43-M107 HydrophobicContact CG-CE 3.72Å; I103-M107 HydrophobicContact CD1-CE 3.89Å; I103-M107 HydrophobicContact CD1-CG 4.29Å; I103-M107 HydrophobicContact CG1-CE 3.43Å; I103-M107 VanDerWaalsContact CG1-CE 3.43Å; I103-M107 HydrophobicContact CG1-CG 4.19Å; I103-M107 HydrophobicContact CG1-SD 4.11Å; I103-M107 WeakPolarHBondContact O-CG 3.45Å; I103-M107 PolarHBondContact O-N 2.98Å; E104-M107 PolarHBondContact O-N 3.45Å; M107-Y110 PolarHBondContact O-N 3.14Å; M107-A111 WeakPolarHBondContact O-CB 3.48Å; M107-A111 PolarHBondContact O-N 2.72Å; M107-F127 HydrophobicContact CB-CB 4.34Å; M107-F127 HydrophobicContact CB-CD1 3.95Å; M107-F127 HydrophobicContact CB-CG 4.29Å; M107-F127 HydrophobicContact CE-CD1 4.03Å; M107-F127 HydrophobicContact CE-CE1 3.56Å; M107-F127 HydrophobicContact CG-CD1 3.45Å; M107-F127 VanDerWaalsContact CG-CD1 3.45Å; M107-F127 HydrophobicContact CG-CE1 3.65Å; M107-F127 HydrophobicContact CG-CG 4.19Å; M107-F127 HydrophobicContact SD-CD1 3.77Å; M107-F127 HydrophobicContact SD-CE1 3.93Å; M107-M138 HydrophobicContact CG-CE 3.97Å; M107-I148 HydrophobicContact CE-CD1 4.01Å; M107-I148 HydrophobicContact CE-CG2 4.42Å; M107-I148 HydrophobicContact SD-CD1 4.31Å
108N85.4Confident85.1Confident102 Ų10262.6 Ų62.655%0.54534%0.341SS..Hα-helixtrans-70.3-41.1179-72.4-28.5000112.2E104 S105 Y106 Y110 A111 G112E104-N108 VanDerWaalsContact O-CB 3.25Å; E104-N108 WeakPolarHBondContact O-CB 3.29Å; E104-N108 PolarHBondContact O-N 2.98Å; E104-N108 PolarHBondContact O-ND2 2.84Å; E104-N108 VanDerWaalsContact O-ND2 3.13Å; S105-N108 PolarHBondContact O-N 2.89Å; Y106-N108 VanDerWaalsContact C-N 3.34Å; Y106-N108 PolarHBondContact O-N 3.36Å; N108-Y110 VanDerWaalsContact C-N 3.33Å; N108-Y110 PolarHBondContact O-N 3.38Å; N108-A111 PolarHBondContact O-N 2.91Å; N108-G112 PolarHBondContact O-N 3.07Å
109C84.4Confident84.3Confident77 Ų7763.6 Ų63.652%0.5235%0.352SS..Hα-helixtrans-58.3-47.5173.2-73.80000111S105 Y106 G112 E113S105-C109 WeakPolarHBondContact O-CB 3.28Å; S105-C109 PolarHBondContact O-N 2.83Å; S105-C109 PolarHBondContact O-SG 2.94Å; Y106-C109 PolarHBondContact O-N 2.7Å; C109-G112 WeakPolarHBondContact O-CA 3.48Å; C109-G112 PolarHBondContact O-N 3.03Å; C109-G112 VanDerWaalsContact O-N 3.13Å; C109-E113 PolarHBondContact O-N 3.5Å
110Y82.2Confident83.6Confident48 Ų4867.9 Ų67.919%0.18837%0.374CS..Hα-helixtrans-70.5-36.8-179.5-179.3-103.9000113.1Y106 M107 N108 G112 E113 I114 F127 D131 T134Y106-Y110 WeakPolarHBondContact O-CB 3.34Å; Y106-Y110 PolarHBondContact O-N 3.48Å; M107-Y110 PolarHBondContact O-N 3.14Å; N108-Y110 VanDerWaalsContact C-N 3.33Å; N108-Y110 PolarHBondContact O-N 3.38Å; Y110-G112 PolarHBondContact O-N 2.82Å; Y110-E113 WeakPolarHBondContact O-CB 3.44Å; Y110-E113 PolarHBondContact O-N 3.22Å; Y110-E113 VanDerWaalsContact O-N 3.13Å; Y110-I114 HydrophobicContact CD1-CD1 3.57Å; Y110-I114 HydrophobicContact CD1-CG1 4.16Å; Y110-I114 HydrophobicContact CE1-CD1 3.01Å; Y110-I114 HydrophobicContact CE1-CG1 3.65Å; Y110-I114 HydrophobicContact CE2-CD1 4.41Å; Y110-I114 HydrophobicContact CE2-CG1 4.17Å; Y110-I114 HydrophobicContact CG-CD1 4.49Å; Y110-I114 VanDerWaalsContact CZ-CD1 3.47Å; Y110-I114 WeakPolarHBondContact O-CG1 3.32Å; Y110-I114 PolarHBondContact O-N 2.92Å; Y110-F127 HydrophobicContact CD1-CB 4.46Å; Y110-F127 AromaticContact CD1-CD2 3.57Å; Y110-F127 HydrophobicContact CD1-CD2 3.57Å; Y110-F127 HydrophobicContact CD1-CE2 4.29Å; Y110-F127 HydrophobicContact CD1-CG 4.43Å; Y110-F127 AromaticContact CE1-CD2 3.9Å; Y110-F127 HydrophobicContact CE1-CD2 3.9Å; Y110-F127 HydrophobicContact CE1-CE2 4.49Å; Y110-D131 HydrophobicContact CE1-CB 3.89Å; Y110-D131 PolarHBondContact OH-OD1 2.82Å; Y110-T134 HydrophobicContact CD1-CG2 3.73Å; Y110-T134 HydrophobicContact CD2-CG2 3.69Å; Y110-T134 WeakPolarHBondContact CD2-OG1 3.3Å; Y110-T134 HydrophobicContact CE1-CG2 4.06Å; Y110-T134 WeakPolarHBondContact CE1-OG1 3.41Å; Y110-T134 HydrophobicContact CE2-CG2 4.1Å; Y110-T134 WeakPolarHBondContact CE2-OG1 3.34Å; Y110-T134 HydrophobicContact CG-CG2 3.5Å; Y110-T134 PolarHBondContact OH-OG1 3.02Å
111A84.9Confident83Confident2 Ų272.2 Ų72.22%0.01741%0.41CS..Hα-helixtrans-57.9-42.9168.500000110.1M107 N108 E113 I114 N115M107-A111 WeakPolarHBondContact O-CB 3.48Å; M107-A111 PolarHBondContact O-N 2.72Å; N108-A111 PolarHBondContact O-N 2.91Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E113 PolarHBondContact O-N 3.42Å; A111-I114 PolarHBondContact O-N 3.18Å; A111-N115 WeakPolarHBondContact O-CB 3.36Å; A111-N115 VanDerWaalsContact O-CG 3.32Å; A111-N115 PolarHBondContact O-N 2.69Å; A111-N115 PolarHBondContact O-ND2 2.91Å
112G84.9Confident82.5Confident30 Ų3076.3 Ų76.331%0.30943%0.43SS..Hα-helixtrans-55.8-45.7172.200000112.9N108 C109 Y110 N115 M116N108-G112 PolarHBondContact O-N 3.07Å; C109-G112 WeakPolarHBondContact O-CA 3.48Å; C109-G112 PolarHBondContact O-N 3.03Å; C109-G112 VanDerWaalsContact O-N 3.13Å; Y110-G112 PolarHBondContact O-N 2.82Å; G112-N115 CarbonylContact O-C 3.54Å; G112-N115 PolarHBondContact O-N 2.81Å; G112-M116 WeakPolarHBondContact O-CG 3.47Å; G112-M116 PolarHBondContact O-N 2.91Å
113E84.6Confident82.1Confident128 Ų12877.6 Ų77.660%0.59843%0.434SS*.Hα-helixtrans-63.3-44.9178.2-70.4176.5178.100113.3C109 Y110 A111 N115 M116C109-E113 PolarHBondContact O-N 3.5Å; Y110-E113 WeakPolarHBondContact O-CB 3.44Å; Y110-E113 PolarHBondContact O-N 3.22Å; Y110-E113 VanDerWaalsContact O-N 3.13Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E113 PolarHBondContact O-N 3.42Å; E113-N115 VanDerWaalsContact C-N 3.27Å; E113-N115 PolarHBondContact O-N 3.41Å; E113-M116 WeakPolarHBondContact O-CB 3.44Å; E113-M116 VanDerWaalsContact O-CG 3.32Å; E113-M116 WeakPolarHBondContact O-CG 3.5Å; E113-M116 PolarHBondContact O-N 3.03Å
114I83.6Confident81.8Confident41 Ų4182.4 Ų82.421%0.2145%0.453CS..Hα-helixtrans-60.7-41.4176.3-69.3167.3000110.7Y110 A111 M116 R125Y110-I114 HydrophobicContact CD1-CD1 3.57Å; Y110-I114 HydrophobicContact CD1-CG1 4.16Å; Y110-I114 HydrophobicContact CE1-CD1 3.01Å; Y110-I114 HydrophobicContact CE1-CG1 3.65Å; Y110-I114 HydrophobicContact CE2-CD1 4.41Å; Y110-I114 HydrophobicContact CE2-CG1 4.17Å; Y110-I114 HydrophobicContact CG-CD1 4.49Å; Y110-I114 VanDerWaalsContact CZ-CD1 3.47Å; Y110-I114 WeakPolarHBondContact O-CG1 3.32Å; Y110-I114 PolarHBondContact O-N 2.92Å; A111-I114 PolarHBondContact O-N 3.18Å; I114-M116 PolarHBondContact O-N 2.91Å; I114-R125 HydrophobicContact CG2-CB 4.17Å; I114-R125 HydrophobicContact CG2-CG 4.36Å
115N85.2Confident81.7Confident10 Ų1085 Ų855%0.05346%0.461CS..THydrogen-bonded Turntrans-857.4-175.4-61.5-60.5000113A111 G112 E113 G117 Q118 Y124 R125A111-N115 WeakPolarHBondContact O-CB 3.36Å; A111-N115 VanDerWaalsContact O-CG 3.32Å; A111-N115 PolarHBondContact O-N 2.69Å; A111-N115 PolarHBondContact O-ND2 2.91Å; G112-N115 CarbonylContact O-C 3.54Å; G112-N115 PolarHBondContact O-N 2.81Å; E113-N115 VanDerWaalsContact C-N 3.27Å; E113-N115 PolarHBondContact O-N 3.41Å; N115-G117 PolarHBondContact O-N 3.37Å; N115-G117 VanDerWaalsContact O-N 3.08Å; N115-Q118 PolarHBondContact O-N 2.9Å; N115-Q118 PolarHBondContact OD1-OE1 2.86Å; N115-Y124 HydrophobicContact CB-CD2 3.79Å; N115-Y124 HydrophobicContact CB-CE2 3.71Å; N115-Y124 VanDerWaalsContact CG-CD2 3.49Å; N115-Y124 VanDerWaalsContact ND2-CE2 3.26Å; N115-Y124 WeakPolarHBondContact ND2-CE2 3.5Å; N115-Y124 VanDerWaalsContact ND2-CZ 3.27Å; N115-Y124 WeakPolarHBondContact OD1-CA 3.26Å; N115-R125 PolarHBondContact ND2-O 3.35Å; N115-R125 PolarHBondContact OD1-N 3.26Å
116M81.8Confident81.5Confident156 Ų15688 Ų8877%0.76847%0.467SS*.THydrogen-bonded Turntrans-60.3114.3177.1-75.1-63.8-68.500110.9G112 E113 I114G112-M116 WeakPolarHBondContact O-CG 3.47Å; G112-M116 PolarHBondContact O-N 2.91Å; E113-M116 WeakPolarHBondContact O-CB 3.44Å; E113-M116 VanDerWaalsContact O-CG 3.32Å; E113-M116 WeakPolarHBondContact O-CG 3.5Å; E113-M116 PolarHBondContact O-N 3.03Å; I114-M116 PolarHBondContact O-N 2.91Å
117G79.1Confident81.3Confident72 Ų7284.2 Ų84.274%0.74245%0.453SS*.THydrogen-bonded Turntrans91.6-1.7-179.300000114.7N115N115-G117 PolarHBondContact O-N 3.37Å; N115-G117 VanDerWaalsContact O-N 3.08Å
118Q77Confident81.1Confident81 Ų8186.1 Ų86.138%0.37946%0.463SS..  trans-87.2113.1167.2-65.9-179.2-55.200108.9N115 D123N115-Q118 PolarHBondContact O-N 2.9Å; N115-Q118 PolarHBondContact OD1-OE1 2.86Å; Q118-D123 PolarHBondContact NE2-O 3.12Å; Q118-D123 VanDerWaalsContact NE2-O 3.12Å; Q118-D123 PolarHBondContact OE1-O 2.97Å
119N72.1Confident80.6Confident154 Ų15485.9 Ų85.982%0.82446%0.459SS*.  trans-93.1-18.8178.6-66.3-32.8000112.4
120D75.9Confident80.3Confident110 Ų11089.2 Ų89.259%0.58847%0.465SS*.  trans-88.8119.5-176.4-67.6-33.6000109.8Q122 D123D120-Q122 PolarHBondContact O-N 3.05Å; D120-D123 PolarHBondContact O-N 3.02Å
121A78.4Confident80.3Confident95 Ų9587.2 Ų87.279%0.78546%0.458SS*.G310 helixtrans-59.1-21.3178.300000113.1D123A121-D123 VanDerWaalsContact C-N 3.32Å
122Q79.3Confident80.1Confident188 Ų18894.9 Ų94.988%0.87949%0.491SS*.G310 helixtrans-70.6-28.7175.8-68.5-178.2-2.800112.8D120D120-Q122 PolarHBondContact O-N 3.05Å
123D77.8Confident79.9Confident95 Ų9597.2 Ų97.251%0.50851%0.507SS..G310 helixtrans-93.51.5-178.6-71.6-15.4000112.5Q118 D120 A121 R125Q118-D123 PolarHBondContact NE2-O 3.12Å; Q118-D123 VanDerWaalsContact NE2-O 3.12Å; Q118-D123 PolarHBondContact OE1-O 2.97Å; D120-D123 PolarHBondContact O-N 3.02Å; A121-D123 VanDerWaalsContact C-N 3.32Å; D123-R125 PolarHBondContact O-N 3.06Å; D123-R125 VanDerWaalsContact O-N 3.08Å
124Y80.7Confident79.6Confident103 Ų10391.5 Ų91.540%0.40448%0.481SS..  trans-65.2110.4179.7-166.3-88.2000110.5N115 H126N115-Y124 HydrophobicContact CB-CD2 3.79Å; N115-Y124 HydrophobicContact CB-CE2 3.71Å; N115-Y124 VanDerWaalsContact CG-CD2 3.49Å; N115-Y124 VanDerWaalsContact ND2-CE2 3.26Å; N115-Y124 WeakPolarHBondContact ND2-CE2 3.5Å; N115-Y124 VanDerWaalsContact ND2-CZ 3.27Å; N115-Y124 WeakPolarHBondContact OD1-CA 3.26Å; Y124-H126 AromaticContact CD1-CE1 3.92Å; Y124-H126 AromaticContact CD1-NE2 3.77Å; Y124-H126 AromaticContact CE1-CE1 3.67Å; Y124-H126 AromaticContact CE1-ND1 3.87Å
125R83.8Confident79.4Confident103 Ų10390.4 Ų90.439%0.38948%0.475SS..PPolyproline II helixtrans-92.7117.2178.4178.9175.1168.9-141-6.5110.4I114 N115 D123 D131I114-R125 HydrophobicContact CG2-CB 4.17Å; I114-R125 HydrophobicContact CG2-CG 4.36Å; N115-R125 PolarHBondContact ND2-O 3.35Å; N115-R125 PolarHBondContact OD1-N 3.26Å; D123-R125 PolarHBondContact O-N 3.06Å; D123-R125 VanDerWaalsContact O-N 3.08Å; R125-D131 IonicContact CZ-OD1 2.63Å; R125-D131 IonicContact NH1-OD1 2.69Å; R125-D131 IonicContact NH2-OD1 3.78Å; R125-D131 PolarHBondContact NH2-OD1 3.06Å; R125-D131 IonicContact NH2-OD2 3.46Å; R125-D131 PolarHBondContact NH2-OD2 3.43Å
126H81.6Confident79.1Confident129 Ų12995.7 Ų95.760%0.59750%0.499SS*.PPolyproline II helixtrans-74151168.7-69.1-84.3000111.7Y124 N128Y124-H126 AromaticContact CD1-CE1 3.92Å; Y124-H126 AromaticContact CD1-NE2 3.77Å; Y124-H126 AromaticContact CE1-CE1 3.67Å; Y124-H126 AromaticContact CE1-ND1 3.87Å; H126-N128 PolarHBondContact O-N 2.97Å
127F79.8Confident78.9Confident27 Ų2792.7 Ų92.712%0.11848%0.483CS..PPolyproline II helixtrans-56.7134.2167.5172.9-101.9000110P43 M107 Y110 D131 T134 I135 M138P43-F127 HydrophobicContact CG-CD1 4.49Å; P43-F127 HydrophobicContact CG-CE1 3.45Å; P43-F127 VanDerWaalsContact CG-CE1 3.45Å; P43-F127 HydrophobicContact CG-CZ 3.97Å; M107-F127 HydrophobicContact CB-CB 4.34Å; M107-F127 HydrophobicContact CB-CD1 3.95Å; M107-F127 HydrophobicContact CB-CG 4.29Å; M107-F127 HydrophobicContact CE-CD1 4.03Å; M107-F127 HydrophobicContact CE-CE1 3.56Å; M107-F127 HydrophobicContact CG-CD1 3.45Å; M107-F127 VanDerWaalsContact CG-CD1 3.45Å; M107-F127 HydrophobicContact CG-CE1 3.65Å; M107-F127 HydrophobicContact CG-CG 4.19Å; M107-F127 HydrophobicContact SD-CD1 3.77Å; M107-F127 HydrophobicContact SD-CE1 3.93Å; Y110-F127 HydrophobicContact CD1-CB 4.46Å; Y110-F127 AromaticContact CD1-CD2 3.57Å; Y110-F127 HydrophobicContact CD1-CD2 3.57Å; Y110-F127 HydrophobicContact CD1-CE2 4.29Å; Y110-F127 HydrophobicContact CD1-CG 4.43Å; Y110-F127 AromaticContact CE1-CD2 3.9Å; Y110-F127 HydrophobicContact CE1-CD2 3.9Å; Y110-F127 HydrophobicContact CE1-CE2 4.49Å; F127-D131 HydrophobicContact CD2-CB 3.64Å; F127-D131 HydrophobicContact CE2-CB 3.5Å; F127-D131 VanDerWaalsContact CE2-CB 3.5Å; F127-T134 HydrophobicContact CE2-CG2 4.02Å; F127-I135 HydrophobicContact CE2-CG1 4.24Å; F127-I135 HydrophobicContact CZ-CD1 4.42Å; F127-I135 HydrophobicContact CZ-CG1 3.8Å; F127-M138 HydrophobicContact CE1-CE 4.15Å; F127-M138 HydrophobicContact CE2-CE 3.91Å; F127-M138 HydrophobicContact CZ-CE 3.66Å; F127-M138 HydrophobicContact CZ-SD 4.03Å
128N81Confident78.8Confident58 Ų5889.6 Ų89.631%0.3145%0.45SS..  trans-139.3174177.864.449.5000111.6H126 F130 D131H126-N128 PolarHBondContact O-N 2.97Å; N128-F130 PolarHBondContact O-N 3.35Å; N128-F130 WeakPolarHBondContact OD1-CA 3.48Å; N128-F130 VanDerWaalsContact OD1-CB 3.29Å; N128-F130 WeakPolarHBondContact OD1-CB 3.43Å; N128-F130 PolarHBondContact OD1-N 3.49Å; N128-D131 PolarHBondContact N-OD2 3.17Å; N128-D131 WeakPolarHBondContact O-CB 3.4Å; N128-D131 PolarHBondContact O-N 3.03Å; N128-D131 VanDerWaalsContact O-N 3.1Å
129E74Confident78.7Confident97 Ų9790 Ų9045%0.45345%0.449SS..THydrogen-bonded Turntrans-61.3-13.6-178.263.5-173.9-173.300114.7P43 I135P43-E129 HydrophobicContact CB-CB 3.99Å; E129-I135 WeakPolarHBondContact O-CD1 3.46Å
130F78.3Confident78.8Confident146 Ų14687.5 Ų87.564%0.6444%0.439SS*.THydrogen-bonded Turntrans-87.8-4.4177.8-57.4-77.7000113.6N128 K132N128-F130 PolarHBondContact O-N 3.35Å; N128-F130 WeakPolarHBondContact OD1-CA 3.48Å; N128-F130 VanDerWaalsContact OD1-CB 3.29Å; N128-F130 WeakPolarHBondContact OD1-CB 3.43Å; N128-F130 PolarHBondContact OD1-N 3.49Å; F130-K132 PolarHBondContact O-N 3.39Å
131D81.8Confident78.3Confident7 Ų788.9 Ų88.94%0.03744%0.44CS..  trans-75.458.8175.1-73.2-60.6000112.6Y110 R125 F127 N128 A133 T134 I135Y110-D131 HydrophobicContact CE1-CB 3.89Å; Y110-D131 PolarHBondContact OH-OD1 2.82Å; R125-D131 IonicContact CZ-OD1 2.63Å; R125-D131 IonicContact NH1-OD1 2.69Å; R125-D131 IonicContact NH2-OD1 3.78Å; R125-D131 PolarHBondContact NH2-OD1 3.06Å; R125-D131 IonicContact NH2-OD2 3.46Å; R125-D131 PolarHBondContact NH2-OD2 3.43Å; F127-D131 HydrophobicContact CD2-CB 3.64Å; F127-D131 HydrophobicContact CE2-CB 3.5Å; F127-D131 VanDerWaalsContact CE2-CB 3.5Å; N128-D131 PolarHBondContact N-OD2 3.17Å; N128-D131 WeakPolarHBondContact O-CB 3.4Å; N128-D131 PolarHBondContact O-N 3.03Å; N128-D131 VanDerWaalsContact O-N 3.1Å; D131-A133 VanDerWaalsContact C-N 3.3Å; D131-A133 PolarHBondContact O-N 3.45Å; D131-A133 VanDerWaalsContact O-N 3.16Å; D131-T134 PolarHBondContact O-N 3.22Å; D131-T134 VanDerWaalsContact O-N 3.11Å; D131-I135 PolarHBondContact O-N 3.22Å
132K81.3Confident77.4Confident163 Ų16385.4 Ų85.471%0.70941%0.41SS*.Hα-helixtrans-53.3-39.8-170.7-69.1-177.2178.3-178.40114.3F130 Q136F130-K132 PolarHBondContact O-N 3.39Å; K132-Q136 WeakPolarHBondContact O-CB 3.33Å; K132-Q136 PolarHBondContact O-N 3.22Å
133A80.7Confident76.6Confident79 Ų7982.2 Ų82.265%0.65341%0.408SS*.Hα-helixtrans-64.4-44.5-178.900000111.5D131 Q136 E137D131-A133 VanDerWaalsContact C-N 3.3Å; D131-A133 PolarHBondContact O-N 3.45Å; D131-A133 VanDerWaalsContact O-N 3.16Å; A133-Q136 WeakPolarHBondContact O-CB 3.17Å; A133-Q136 PolarHBondContact O-N 2.89Å; A133-E137 PolarHBondContact O-N 2.68Å
134T78.1Confident76Confident8 Ų878.4 Ų78.45%0.04939%0.388CS..Hα-helixtrans-70.2-41.8178.4-45.10000111.3Y110 F127 D131 Q136 E137 M138Y110-T134 HydrophobicContact CD1-CG2 3.73Å; Y110-T134 HydrophobicContact CD2-CG2 3.69Å; Y110-T134 WeakPolarHBondContact CD2-OG1 3.3Å; Y110-T134 HydrophobicContact CE1-CG2 4.06Å; Y110-T134 WeakPolarHBondContact CE1-OG1 3.41Å; Y110-T134 HydrophobicContact CE2-CG2 4.1Å; Y110-T134 WeakPolarHBondContact CE2-OG1 3.34Å; Y110-T134 HydrophobicContact CG-CG2 3.5Å; Y110-T134 PolarHBondContact OH-OG1 3.02Å; F127-T134 HydrophobicContact CE2-CG2 4.02Å; D131-T134 PolarHBondContact O-N 3.22Å; D131-T134 VanDerWaalsContact O-N 3.11Å; T134-Q136 VanDerWaalsContact C-N 3.26Å; T134-Q136 PolarHBondContact O-N 2.79Å; T134-E137 WeakPolarHBondContact O-CB 3.33Å; T134-E137 PolarHBondContact O-N 3.15Å; T134-E137 VanDerWaalsContact O-N 3.13Å; T134-M138 HydrophobicContact CG2-CE 3.75Å; T134-M138 WeakPolarHBondContact O-CB 3.34Å; T134-M138 VanDerWaalsContact O-CG 3.27Å; T134-M138 WeakPolarHBondContact O-CG 3.32Å; T134-M138 PolarHBondContact O-N 3.03Å
135I78.9Confident75.7Confident18 Ų1873.7 Ų73.79%0.09237%0.37CS..Hα-helixtrans-56.3-45.6173.4-73.2166.5000110P43 H44 F127 E129 D131 E137 M138 Y139P43-I135 HydrophobicContact CB-CD1 4.19Å; H44-I135 HydrophobicContact CB-CB 4.42Å; H44-I135 HydrophobicContact CB-CG1 4.48Å; H44-I135 HydrophobicContact CB-CG2 3.8Å; F127-I135 HydrophobicContact CE2-CG1 4.24Å; F127-I135 HydrophobicContact CZ-CD1 4.42Å; F127-I135 HydrophobicContact CZ-CG1 3.8Å; E129-I135 WeakPolarHBondContact O-CD1 3.46Å; D131-I135 PolarHBondContact O-N 3.22Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 2.64Å; I135-M138 WeakPolarHBondContact O-CB 3.37Å; I135-M138 PolarHBondContact O-N 3.07Å; I135-Y139 HydrophobicContact CG2-CD2 3.86Å; I135-Y139 HydrophobicContact CG2-CE2 3.68Å; I135-Y139 WeakPolarHBondContact O-CD2 3.49Å; I135-Y139 PolarHBondContact O-N 3.44Å
136Q80.4Confident75.9Confident120 Ų12068.8 Ų68.856%0.56135%0.351SS*.Hα-helixtrans-61.8-41.7176.4-17363.439.100112.2K132 A133 T134 Y139 T140K132-Q136 WeakPolarHBondContact O-CB 3.33Å; K132-Q136 PolarHBondContact O-N 3.22Å; A133-Q136 WeakPolarHBondContact O-CB 3.17Å; A133-Q136 PolarHBondContact O-N 2.89Å; T134-Q136 VanDerWaalsContact C-N 3.26Å; T134-Q136 PolarHBondContact O-N 2.79Å; Q136-Y139 PolarHBondContact O-N 3.04Å; Q136-T140 WeakPolarHBondContact O-CG2 3.21Å; Q136-T140 PolarHBondContact O-N 2.89Å
137E77.4Confident76.4Confident93 Ų9362.6 Ų62.644%0.43532%0.323SS..Hα-helixtrans-63.7-44.8176-178.2174.3-174.100111.8A133 T134 I135 Y139 T140 K141A133-E137 PolarHBondContact O-N 2.68Å; T134-E137 WeakPolarHBondContact O-CB 3.33Å; T134-E137 PolarHBondContact O-N 3.15Å; T134-E137 VanDerWaalsContact O-N 3.13Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 2.64Å; E137-Y139 PolarHBondContact O-N 2.88Å; E137-T140 PolarHBondContact O-N 2.8Å; E137-T140 VanDerWaalsContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 3.16Å; E137-K141 HydrophobicContact CG-CD 3.85Å; E137-K141 HydrophobicContact CG-CG 4.39Å; E137-K141 PolarHBondContact O-N 2.75Å; E137-K141 WeakPolarHBondContact OE1-CE 3.37Å; E137-K141 IonicContact OE1-NZ 3.76Å; E137-K141 PolarHBondContact OE1-NZ 3.05Å
138M77.6Confident76.9Confident8 Ų861.8 Ų61.84%0.03932%0.32CS..Hα-helixtrans-51.2-56.4175.2-77.8-177.7-171.800109.7H44 I103 M107 F127 T134 I135 T140 K141 S142 L144H44-M138 HydrophobicContact CB-CB 4.13Å; H44-M138 HydrophobicContact CB-SD 4.31Å; I103-M138 HydrophobicContact CD1-CE 4.19Å; I103-M138 HydrophobicContact CD1-SD 3.62Å; M107-M138 HydrophobicContact CG-CE 3.97Å; F127-M138 HydrophobicContact CE1-CE 4.15Å; F127-M138 HydrophobicContact CE2-CE 3.91Å; F127-M138 HydrophobicContact CZ-CE 3.66Å; F127-M138 HydrophobicContact CZ-SD 4.03Å; T134-M138 HydrophobicContact CG2-CE 3.75Å; T134-M138 WeakPolarHBondContact O-CB 3.34Å; T134-M138 VanDerWaalsContact O-CG 3.27Å; T134-M138 WeakPolarHBondContact O-CG 3.32Å; T134-M138 PolarHBondContact O-N 3.03Å; I135-M138 WeakPolarHBondContact O-CB 3.37Å; I135-M138 PolarHBondContact O-N 3.07Å; M138-T140 PolarHBondContact O-N 3.5Å; M138-T140 VanDerWaalsContact O-N 3.11Å; M138-K141 PolarHBondContact O-N 3.11Å; M138-K141 VanDerWaalsContact O-N 3.16Å; M138-S142 PolarHBondContact O-N 3.31Å; M138-L144 HydrophobicContact CB-CD1 3.88Å; M138-L144 HydrophobicContact CB-CD2 3.59Å; M138-L144 HydrophobicContact CB-CG 4.36Å; M138-L144 HydrophobicContact CG-CD2 3.94Å; M138-L144 WeakPolarHBondContact O-CD1 3.35Å; M138-L144 HydrophobicContact SD-CD2 4.32Å
139Y74.3Confident77.4Confident89 Ų8963.2 Ų63.235%0.34932%0.324SS..Hα-helixtrans-50-38177.5-88.9-74.2000113.4H44 I45 I135 Q136 E137H44-Y139 VanDerWaalsContact C-OH 3.23Å; H44-Y139 HydrophobicContact CB-CD2 4.23Å; H44-Y139 HydrophobicContact CB-CE2 4.15Å; H44-Y139 WeakPolarHBondContact O-CD1 3.28Å; H44-Y139 WeakPolarHBondContact O-CE1 3.42Å; H44-Y139 WeakPolarHBondContact O-CE2 3.45Å; H44-Y139 PolarHBondContact O-OH 3.32Å; I45-Y139 WeakPolarHBondContact CA-OH 3.36Å; I135-Y139 HydrophobicContact CG2-CD2 3.86Å; I135-Y139 HydrophobicContact CG2-CE2 3.68Å; I135-Y139 WeakPolarHBondContact O-CD2 3.49Å; I135-Y139 PolarHBondContact O-N 3.44Å; Q136-Y139 PolarHBondContact O-N 3.04Å; E137-Y139 PolarHBondContact O-N 2.88Å
140T74.1Confident78.4Confident102 Ų10258.9 Ų58.963%0.62630%0.304SS*.Hα-helixtrans-81.8-32.7-176.359.30000114.1Q136 E137 M138Q136-T140 WeakPolarHBondContact O-CG2 3.21Å; Q136-T140 PolarHBondContact O-N 2.89Å; E137-T140 PolarHBondContact O-N 2.8Å; E137-T140 VanDerWaalsContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 3.16Å; M138-T140 PolarHBondContact O-N 3.5Å; M138-T140 VanDerWaalsContact O-N 3.11Å
141K65.8Low79.3Confident138 Ų13853.5 Ų53.560%0.628%0.28SS*.Hα-helixtrans-102-24-168.7-72-173.2179.2177.20114.3E137 M138E137-K141 HydrophobicContact CG-CD 3.85Å; E137-K141 HydrophobicContact CG-CG 4.39Å; E137-K141 PolarHBondContact O-N 2.75Å; E137-K141 WeakPolarHBondContact OE1-CE 3.37Å; E137-K141 IonicContact OE1-NZ 3.76Å; E137-K141 PolarHBondContact OE1-NZ 3.05Å; M138-K141 PolarHBondContact O-N 3.11Å; M138-K141 VanDerWaalsContact O-N 3.16Å
142S59.9Low80Confident23 Ų2353.4 Ų53.416%0.16128%0.279CS..  trans-133.4134.9-171.5-175.50000110.2M138 L144M138-S142 PolarHBondContact O-N 3.31Å; S142-L144 WeakPolarHBondContact O-CD1 3.12Å; S142-L144 WeakPolarHBondContact O-CG 3.21Å; S142-L144 PolarHBondContact O-N 2.8Å
143S61.4Low80.8Confident120 Ų12046 Ų4684%0.83925%0.248SC*.  trans-77.668.4171.4172.80000108.2
144L64.3Low81.5Confident16 Ų1643.8 Ų43.88%0.08423%0.227CC..  trans-66.8158.2-155.5-53.6119000113.9H44 I103 M138 S142H44-L144 HydrophobicContact CB-CD1 4.41Å; H44-L144 WeakPolarHBondContact CD2-CB 2.87Å; H44-L144 WeakPolarHBondContact CD2-CD1 3.43Å; H44-L144 VanDerWaalsContact CE1-CB 3.5Å; H44-L144 WeakPolarHBondContact CE1-CB 3.5Å; H44-L144 WeakPolarHBondContact NE2-CB 3.39Å; I103-L144 HydrophobicContact CD1-CD2 3.53Å; M138-L144 HydrophobicContact CB-CD1 3.88Å; M138-L144 HydrophobicContact CB-CD2 3.59Å; M138-L144 HydrophobicContact CB-CG 4.36Å; M138-L144 HydrophobicContact CG-CD2 3.94Å; M138-L144 WeakPolarHBondContact O-CD1 3.35Å; M138-L144 HydrophobicContact SD-CD2 4.32Å; S142-L144 WeakPolarHBondContact O-CD1 3.12Å; S142-L144 WeakPolarHBondContact O-CG 3.21Å; S142-L144 PolarHBondContact O-N 2.8Å
145A75.1Confident82.3Confident3 Ų345.7 Ų45.73%0.02524%0.243CC..  trans-58.5130.5175.200000111.9S42 H44 S99 I103 T147S42-A145 WeakPolarHBondContact CB-O 3.37Å; S42-A145 PolarHBondContact OG-O 3.46Å; H44-A145 PolarHBondContact NE2-O 2.6Å; S99-A145 VanDerWaalsContact CB-CB 3.46Å; S99-A145 VanDerWaalsContact O-CB 3.28Å; S99-A145 WeakPolarHBondContact O-CB 3.07Å; S99-A145 WeakPolarHBondContact OG-CB 3.49Å; I103-A145 HydrophobicContact CB-CB 4.24Å; I103-A145 HydrophobicContact CG2-CB 3.72Å; A145-T147 PolarHBondContact O-N 3.35Å
146P87.5Confident83Confident0 Ų048.8 Ų48.80%026%0.26CS..SBendtrans-68.1-24.3179.833.8-41.4000112.7S42 I45 V50 F53 Y54S42-P146 PolarHBondContact N-O 3.08Å; S42-P146 VanDerWaalsContact N-O 3.08Å; I45-P146 HydrophobicContact CD1-CB 3.96Å; I45-P146 WeakPolarHBondContact CG2-O 3.45Å; V50-P146 HydrophobicContact CB-CB 4.21Å; V50-P146 HydrophobicContact CG1-CB 4.11Å; V50-P146 HydrophobicContact CG2-CB 4Å; F53-P146 HydrophobicContact CB-CB 4.25Å; F53-P146 HydrophobicContact CB-CG 4.32Å; F53-P146 HydrophobicContact CD1-CB 4.23Å; F53-P146 HydrophobicContact CD1-CG 3.4Å; F53-P146 HydrophobicContact CD2-CG 4.38Å; F53-P146 HydrophobicContact CE1-CG 3.66Å; F53-P146 HydrophobicContact CG-CB 4.22Å; F53-P146 HydrophobicContact CG-CG 3.79Å; F53-P146 HydrophobicContact CZ-CG 4.26Å; Y54-P146 HydrophobicContact CD2-CG 4.29Å; Y54-P146 HydrophobicContact CE2-CB 4.08Å; Y54-P146 HydrophobicContact CE2-CG 3.65Å
147T92Very high83.4Confident0 Ų047.5 Ų47.50%026%0.257CS..EExtended strand (participates in β ladder)trans-140.1151.4-172.154.20000111.8K40 Y54 V78 A145K40-T147 CarbonylContact O-C 3.48Å; K40-T147 WeakPolarHBondContact O-CA 3.13Å; K40-T147 WeakPolarHBondContact O-CB 3.36Å; Y54-T147 HydrophobicContact CE2-CG2 4Å; Y54-T147 PolarHBondContact OH-OG1 2.7Å; V78-T147 HydrophobicContact CG1-CG2 4.24Å; V78-T147 HydrophobicContact CG2-CG2 3.71Å; A145-T147 PolarHBondContact O-N 3.35Å
148I91.6Very high83.7Confident10 Ų1045.7 Ų45.75%0.05125%0.251CS..EExtended strand (participates in β ladder)trans-127.3162.8171.860.1-179.9000109.8K40 I103 M107 S150K40-I148 HydrophobicContact CB-CG1 3.96Å; K40-I148 HydrophobicContact CD-CD1 4.24Å; K40-I148 HydrophobicContact CD-CG1 4.31Å; K40-I148 HydrophobicContact CG-CD1 4.5Å; K40-I148 HydrophobicContact CG-CG1 4.16Å; K40-I148 PolarHBondContact N-O 2.78Å; K40-I148 PolarHBondContact O-N 3.27Å; I103-I148 HydrophobicContact CG1-CG2 4.29Å; I103-I148 HydrophobicContact CG2-CG2 3.38Å; M107-I148 HydrophobicContact CE-CD1 4.01Å; M107-I148 HydrophobicContact CE-CG2 4.42Å; M107-I148 HydrophobicContact SD-CD1 4.31Å; I148-S150 VanDerWaalsContact C-N 3.29Å; I148-S150 PolarHBondContact O-N 2.94Å
149H91.5Very high84.2Confident88 Ų8846.8 Ų46.841%0.40726%0.256SS..EExtended strand (participates in β ladder)trans51.349.4-176.9-56.3168.6000111.6E100 E104 R151 D252E100-H149 WeakPolarHBondContact OE1-CA 3.21Å; E100-H149 PolarHBondContact OE1-N 2.83Å; E104-H149 IonicContact OE1-CD2 3.95Å; H149-R151 PolarHBondContact O-N 3.1Å; H149-D252 IonicContact ND1-OD1 3.99Å
150S95.2Very high84.7Confident5 Ų546.7 Ų46.74%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-70.9126.8177.9-69.50000109.8V38 E100 I148 L262V38-S150 CarbonylContact O-C 3.56Å; V38-S150 WeakPolarHBondContact O-CA 3.32Å; E100-S150 PolarHBondContact OE1-N 2.82Å; I148-S150 VanDerWaalsContact C-N 3.29Å; I148-S150 PolarHBondContact O-N 2.94Å; S150-L262 WeakPolarHBondContact O-CB 3.48Å; S150-L262 PolarHBondContact O-N 3.41Å
151R96.8Very high85.2Confident33 Ų3349 Ų4913%0.12527%0.268CS..EExtended strand (participates in β ladder)trans-133.4138.3-175.8-59.1177.574.8-177.42.2111L37 V38 H149 F250 A251 S254 I259L37-R151 CarbonylContact C-O 3.55Å; L37-R151 VanDerWaalsContact CA-O 3.32Å; L37-R151 WeakPolarHBondContact CA-O 2.98Å; V38-R151 HydrophobicContact CG2-CB 4.13Å; V38-R151 PolarHBondContact N-O 2.94Å; V38-R151 PolarHBondContact O-N 3.11Å; H149-R151 PolarHBondContact O-N 3.1Å; R151-F250 WeakPolarHBondContact CD-O 2.99Å; R151-F250 PolarHBondContact NH1-O 3.26Å; R151-A251 WeakPolarHBondContact CD-O 3.44Å; R151-S254 VanDerWaalsContact CZ-O 3.24Å; R151-S254 PolarHBondContact NH1-O 2.88Å; R151-S254 PolarHBondContact NH2-O 3.39Å; R151-I259 HydrophobicContact CB-CG2 3.73Å; R151-I259 HydrophobicContact CG-CG2 4.41Å; R151-I259 VanDerWaalsContact NE-CG2 3.28Å
152I97Very high86.3Confident5 Ų545.7 Ų45.73%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-85122.6175.1-63.7164.9000108.7V35 L37 F93 A155 I259 I260 L262 Y265V35-I152 HydrophobicContact CG1-CG1 4.21Å; V35-I152 HydrophobicContact CG1-CG2 3.88Å; L37-I152 HydrophobicContact CD2-CB 4.21Å; L37-I152 HydrophobicContact CD2-CD1 4.45Å; L37-I152 HydrophobicContact CD2-CG1 3.31Å; F93-I152 HydrophobicContact CE2-CD1 4.18Å; I152-A155 HydrophobicContact CG2-CB 4.27Å; I152-I259 WeakPolarHBondContact O-CA 3.47Å; I152-I260 PolarHBondContact N-O 3.41Å; I152-I260 PolarHBondContact O-N 3.44Å; I152-I260 VanDerWaalsContact O-N 3.16Å; I152-L262 HydrophobicContact CD1-CD1 3.92Å; I152-L262 HydrophobicContact CG1-CD1 4.11Å; I152-Y265 HydrophobicContact CD1-CD1 3.73Å; I152-Y265 HydrophobicContact CD1-CD2 3.35Å; I152-Y265 HydrophobicContact CD1-CE1 4.22Å; I152-Y265 HydrophobicContact CD1-CE2 3.87Å; I152-Y265 HydrophobicContact CD1-CG 3.25Å
153L97.1Very high87.9Confident9 Ų947.3 Ų47.35%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-90.2-35.8173.9-62.7-167.1000112.5V36 V38 L192 L195 L196 F250 I259V36-L153 HydrophobicContact CB-CB 4.5Å; V36-L153 HydrophobicContact CG1-CB 4.43Å; V36-L153 HydrophobicContact CG1-CD1 4.43Å; V36-L153 PolarHBondContact O-N 3.17Å; V38-L153 HydrophobicContact CB-CD1 4.49Å; V38-L153 HydrophobicContact CG1-CD1 3.47Å; V38-L153 VanDerWaalsContact CG1-CD1 3.47Å; V38-L153 HydrophobicContact CG1-CD2 4.48Å; V38-L153 HydrophobicContact CG1-CG 3.95Å; V38-L153 HydrophobicContact CG2-CD1 4.28Å; V38-L153 HydrophobicContact CG2-CD2 3.74Å; V38-L153 HydrophobicContact CG2-CG 3.96Å; L153-L192 HydrophobicContact CB-CD1 4.02Å; L153-L192 HydrophobicContact CD1-CD1 4.18Å; L153-L192 HydrophobicContact CD2-CD1 4.04Å; L153-L192 HydrophobicContact CG-CD1 4.32Å; L153-L195 HydrophobicContact CD1-CD2 3.59Å; L153-L196 HydrophobicContact CB-CD2 4.18Å; L153-F250 HydrophobicContact CD2-CB 3.89Å; L153-F250 HydrophobicContact CD2-CG 4.34Å; L153-I259 HydrophobicContact CD2-CD1 4.07Å; L153-I259 HydrophobicContact CD2-CG1 4.01Å; L153-I259 HydrophobicContact CD2-CG2 4Å
154C95.7Very high89.4Confident31 Ų3142.2 Ų42.221%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-157.5136.8-177.6179.60000109.3V35 V36 L196V35-C154 WeakPolarHBondContact CA-O 2.89Å; V35-C154 WeakPolarHBondContact CG1-O 3.32Å; V36-C154 HydrophobicContact CB-CB 4.42Å; V36-C154 HydrophobicContact CG2-CB 4.49Å; V36-C154 PolarHBondContact N-O 3.17Å; V36-C154 PolarHBondContact O-N 2.83Å; C154-L196 HydrophobicContact CB-CD1 3.88Å; C154-L196 HydrophobicContact CB-CD2 3.74Å; C154-L196 HydrophobicContact CB-CG 4.49Å
155A94.5Very high90.6Very high48 Ų4847 Ų4740%0.39724%0.237SC..EExtended strand (participates in β ladder)trans-130.8113.3171.500000108.9V35 I152V35-A155 HydrophobicContact CG1-CB 4.47Å; V35-A155 HydrophobicContact CG2-CB 3.87Å; I152-A155 HydrophobicContact CG2-CB 4.27Å
156N93.1Very high91.5Very high83 Ų8347.8 Ų47.844%0.44424%0.242SC..EExtended strand (participates in β ladder)trans-99.6124.4175-65.7-35.1000108.7Y33 S34 I159Y33-N156 CarbonylContact C-O 3.15Å; Y33-N156 VanDerWaalsContact CA-O 3.29Å; Y33-N156 WeakPolarHBondContact CA-O 3.23Å; S34-N156 PolarHBondContact N-O 3.05Å; S34-N156 PolarHBondContact O-N 2.75Å; N156-I159 HydrophobicContact CB-CG2 3.91Å
157D89Confident91.8Very high94 Ų9449.6 Ų49.650%0.50325%0.249SC..  trans-89.8167.7169.268.126.7000110.8Y33 I159Y33-D157 HydrophobicContact CD1-CB 3.82Å; Y33-D157 HydrophobicContact CE1-CB 3.37Å; D157-I159 PolarHBondContact O-N 2.95Å
158N84.9Confident91.9Very high55 Ų5551.3 Ų51.329%0.29426%0.257SS..SBendtrans57.729164.8-68.1-50.1000115.7F25 V31 L32 V160F25-N158 HydrophobicContact CE1-CB 3.76Å; F25-N158 HydrophobicContact CZ-CB 4.3Å; V31-N158 WeakPolarHBondContact CG1-OD1 3.46Å; L32-N158 PolarHBondContact O-N 3.45Å; N158-V160 PolarHBondContact O-N 3.28Å
159I87.7Confident92Very high31 Ų3153.6 Ų53.616%0.15927%0.269CS..  trans-67.2133.9-178.776.1-175000109.6L32 E83 N156 D157L32-I159 HydrophobicContact CB-CD1 4.43Å; L32-I159 HydrophobicContact CB-CG1 3.76Å; L32-I159 HydrophobicContact CD2-CD1 3.56Å; L32-I159 HydrophobicContact CD2-CG1 3.37Å; L32-I159 HydrophobicContact CG-CD1 3.57Å; L32-I159 HydrophobicContact CG-CG1 3.41Å; L32-I159 VanDerWaalsContact CG-CG1 3.41Å; L32-I159 PolarHBondContact O-N 3.4Å; E83-I159 HydrophobicContact CG-CD1 4.37Å; N156-I159 HydrophobicContact CB-CG2 3.91Å; D157-I159 PolarHBondContact O-N 2.95Å
160V83.8Confident92.1Very high86 Ų8650 Ų5052%0.52125%0.253SS..SBendtrans-73.3-36.5-172.3-175.70000111.6N158N158-V160 PolarHBondContact O-N 3.28Å
161H84.9Confident92Very high151 Ų15152.3 Ų52.370%0.69927%0.266SS*.SBendtrans-138.2144.4-179-55.7-54.6000109.6
162R89.8Confident91.6Very high68 Ų6850.8 Ų50.826%0.25726%0.261SS..  trans-64.6135.7167.6-67176.2178.5-89.75.5109L32 H66 T68 E83 Y164L32-R162 HydrophobicContact CD1-CG 4.18Å; L32-R162 VanDerWaalsContact CD1-CZ 3.43Å; L32-R162 HydrophobicContact CD2-CB 4.22Å; L32-R162 HydrophobicContact CD2-CG 3.26Å; L32-R162 HydrophobicContact CG-CG 4.34Å; H66-R162 PolarHBondContact O-NH2 3.46Å; T68-R162 WeakPolarHBondContact OG1-CD 3.35Å; T68-R162 PolarHBondContact OG1-NH1 2.92Å; E83-R162 VanDerWaalsContact C-NH1 3.34Å; E83-R162 PolarHBondContact O-NH1 3.46Å; E83-R162 WeakPolarHBondContact OE2-CB 3.35Å; R162-Y164 VanDerWaalsContact CB-O 3.27Å; R162-Y164 WeakPolarHBondContact CB-O 3.47Å
163I91.9Very high91Very high58 Ų5857.5 Ų57.530%0.29730%0.297SS..SBendtrans-75.1-38.6168-59.9169.9000108.9E83 A207E83-I163 WeakPolarHBondContact OE1-CB 3.38Å; E83-I163 PolarHBondContact OE1-N 3.13Å; E83-I163 PolarHBondContact OE2-N 2.79Å; I163-A207 HydrophobicContact CG2-CB 4.23Å
164Y93.2Very high90.3Very high12 Ų1259.2 Ų59.25%0.04731%0.305CS..  trans-97.5140.6-178.2-61.3-89.4000111.7T68 L70 I81 E83 R162 S203 L206T68-Y164 WeakPolarHBondContact CB-O 3.1Å; T68-Y164 PolarHBondContact OG1-O 3.21Å; L70-Y164 HydrophobicContact CB-CD1 4.39Å; L70-Y164 HydrophobicContact CB-CE1 3.61Å; L70-Y164 HydrophobicContact CD2-CE1 4.35Å; I81-Y164 HydrophobicContact CB-CE2 4.5Å; I81-Y164 VanDerWaalsContact CD1-OH 3.29Å; I81-Y164 WeakPolarHBondContact CD1-OH 3.21Å; I81-Y164 HydrophobicContact CG2-CE2 3.83Å; E83-Y164 HydrophobicContact CG-CD2 4.4Å; E83-Y164 WeakPolarHBondContact OE2-CB 3.18Å; E83-Y164 PolarHBondContact OE2-N 3.22Å; R162-Y164 VanDerWaalsContact CB-O 3.27Å; R162-Y164 WeakPolarHBondContact CB-O 3.47Å; Y164-S203 VanDerWaalsContact OH-CB 3.28Å; Y164-S203 WeakPolarHBondContact OH-CB 3.35Å; Y164-S203 PolarHBondContact OH-OG 3.11Å; Y164-L206 HydrophobicContact CE1-CD1 4.33Å
165R90.8Very high89.6Confident117 Ų11766 Ų6644%0.44233%0.333SS..SBendtrans-96-21.3174.2-62.4-172178.9-123.31.1113.4Y217 F222R165-Y217 HydrophobicContact CB-CE2 4.26Å; R165-Y217 HydrophobicContact CG-CE2 4.43Å; R165-F222 HydrophobicContact CB-CE1 3.97Å; R165-F222 HydrophobicContact CB-CE2 4.42Å; R165-F222 HydrophobicContact CB-CZ 3.8Å; R165-F222 HydrophobicContact CG-CE2 4.33Å; R165-F222 HydrophobicContact CG-CZ 4.1Å
166T92.5Very high88.8Confident20 Ų2067 Ų6712%0.12334%0.336CS..SBendtrans-136.6167.8-179.747.60000108.8G69 E168 F222G69-T166 PolarHBondContact N-O 2.82Å; G69-T166 VanDerWaalsContact N-O 3.12Å; T166-E168 VanDerWaalsContact CB-OE1 3.23Å; T166-E168 WeakPolarHBondContact CB-OE1 3.34Å; T166-E168 PolarHBondContact OG1-OE1 3.17Å; T166-F222 HydrophobicContact CG2-CE1 4.34Å
167Y94.7Very high88.1Confident38 Ų3866.2 Ų66.215%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-95.2123.9168.6-176.1-95.8000108.8M58 I67 G69 L71 H80M58-Y167 HydrophobicContact CB-CD1 3.96Å; M58-Y167 HydrophobicContact CB-CD2 4.3Å; M58-Y167 HydrophobicContact CB-CE1 4.14Å; M58-Y167 HydrophobicContact CB-CE2 4.48Å; M58-Y167 HydrophobicContact CB-CG 4.02Å; M58-Y167 HydrophobicContact CG-CD1 3.88Å; M58-Y167 HydrophobicContact CG-CD2 3.79Å; M58-Y167 HydrophobicContact CG-CE1 3.62Å; M58-Y167 HydrophobicContact CG-CE2 3.53Å; M58-Y167 HydrophobicContact CG-CG 3.94Å; M58-Y167 VanDerWaalsContact CG-CZ 3.41Å; M58-Y167 HydrophobicContact SD-CE2 4.39Å; I67-Y167 HydrophobicContact CG2-CD2 4.15Å; G69-Y167 WeakPolarHBondContact O-CA 3.37Å; L71-Y167 WeakPolarHBondContact CB-OH 3.46Å; H80-Y167 PolarHBondContact CD2-OH 3.38Å; H80-Y167 AromaticContact NE2-CE2 3.47Å; H80-Y167 WeakPolarHBondContact NE2-CE2 3.24Å; H80-Y167 AromaticContact NE2-CZ 3.51Å; H80-Y167 PolarHBondContact NE2-OH 2.72Å
168E94.3Very high87.4Confident36 Ų3667.4 Ų67.417%0.16834%0.34CS..EExtended strand (participates in β ladder)trans-120.2151.6-174.7-60.5-60.1147.700112.4G69 L70 L71 T166 L226 L230G69-E168 PolarHBondContact O-N 3.36Å; L70-E168 WeakPolarHBondContact CA-O 3.41Å; L70-E168 HydrophobicContact CD1-CB 3.95Å; L71-E168 PolarHBondContact N-O 3.18Å; T166-E168 VanDerWaalsContact CB-OE1 3.23Å; T166-E168 WeakPolarHBondContact CB-OE1 3.34Å; T166-E168 PolarHBondContact OG1-OE1 3.17Å; E168-L226 HydrophobicContact CG-CD2 3.54Å; E168-L226 HydrophobicContact CG-CG 4.19Å; E168-L230 HydrophobicContact CB-CD1 3.96Å; E168-L230 HydrophobicContact CG-CD1 4.18Å
169L94Very high87.1Confident57 Ų5766 Ų6630%0.29833%0.332SS..EExtended strand (participates in β ladder)trans-115.9127.4176.4177.871.4000109.7L71 V73 V171L71-L169 HydrophobicContact CB-CD1 4.06Å; L71-L169 HydrophobicContact CD2-CD1 3.64Å; L71-L169 HydrophobicContact CG-CD1 3.85Å; V73-L169 HydrophobicContact CG2-CD1 3.74Å; L169-V171 HydrophobicContact CD1-CG2 4.21Å; L169-V171 HydrophobicContact CD2-CG2 3.99Å; L169-V171 HydrophobicContact CG-CG2 3.93Å
170L93.3Very high86.2Confident13 Ų1368.7 Ų68.77%0.06835%0.354CS..EExtended strand (participates in β ladder)trans-122.7106.7174.3-179.159.4000109.3L70 L71 M72 V73 F172 L230 I233L70-L170 HydrophobicContact CD1-CB 4.14Å; L71-L170 PolarHBondContact O-N 2.86Å; M72-L170 CarbonylContact C-O 3.51Å; M72-L170 WeakPolarHBondContact CA-O 3.44Å; M72-L170 HydrophobicContact CG-CB 4.33Å; M72-L170 HydrophobicContact CG-CD2 4.24Å; V73-L170 PolarHBondContact N-O 3.5Å; L170-F172 HydrophobicContact CD1-CE1 4.18Å; L170-F172 HydrophobicContact CD2-CE1 3.57Å; L170-F172 HydrophobicContact CD2-CE2 4.24Å; L170-F172 HydrophobicContact CD2-CZ 3.33Å; L170-F172 HydrophobicContact CG-CD1 4.32Å; L170-F172 HydrophobicContact CG-CE1 3.69Å; L170-F172 HydrophobicContact CG-CE2 4.34Å; L170-F172 HydrophobicContact CG-CZ 3.71Å; L170-L230 HydrophobicContact CB-CD2 4.4Å; L170-L230 HydrophobicContact CD1-CB 4.26Å; L170-L230 HydrophobicContact CD1-CD2 4.35Å; L170-L230 WeakPolarHBondContact CD1-O 3.46Å; L170-L230 HydrophobicContact CD2-CD2 4.13Å; L170-I233 HydrophobicContact CD1-CG2 4.39Å; L170-I233 HydrophobicContact CD2-CG2 4.09Å
171V92.1Very high85.3Confident53 Ų5370.7 Ų70.732%0.32136%0.361SS..EExtended strand (participates in β ladder)trans-98.1126177.5-175.30000109.5N47 V73 L169N47-V171 HydrophobicContact CB-CG1 3.99Å; V73-V171 HydrophobicContact CB-CG1 4.39Å; V73-V171 HydrophobicContact CB-CG2 4.22Å; V73-V171 HydrophobicContact CG2-CG2 4.36Å; L169-V171 HydrophobicContact CD1-CG2 4.21Å; L169-V171 HydrophobicContact CD2-CG2 3.99Å; L169-V171 HydrophobicContact CG-CG2 3.93Å
172F89.7Confident84.8Confident2 Ų265.9 Ų65.91%0.00934%0.337CS..  trans-97.5121.7179-62.5-59.7000111.4M72 V73 Y74 L170 M174 R234 I241M72-F172 HydrophobicContact CB-CE2 3.91Å; M72-F172 HydrophobicContact CG-CE2 4.13Å; M72-F172 HydrophobicContact CG-CZ 4.45Å; M72-F172 HydrophobicContact SD-CE2 4.18Å; M72-F172 HydrophobicContact SD-CZ 4.28Å; V73-F172 PolarHBondContact O-N 3.09Å; Y74-F172 AromaticContact CD1-CD2 3.77Å; Y74-F172 HydrophobicContact CD1-CD2 3.77Å; Y74-F172 HydrophobicContact CD1-CE2 4.37Å; Y74-F172 HydrophobicContact CD2-CD2 4.16Å; Y74-F172 HydrophobicContact CD2-CE2 4.45Å; Y74-F172 AromaticContact CE1-CD2 3.64Å; Y74-F172 HydrophobicContact CE1-CD2 3.64Å; Y74-F172 AromaticContact CE1-CE2 3.8Å; Y74-F172 HydrophobicContact CE1-CE2 3.8Å; Y74-F172 HydrophobicContact CE2-CD2 4Å; Y74-F172 AromaticContact CE2-CE2 3.86Å; Y74-F172 HydrophobicContact CE2-CE2 3.86Å; Y74-F172 HydrophobicContact CG-CD2 4.04Å; Y74-F172 AromaticContact CZ-CD2 3.76Å; Y74-F172 AromaticContact CZ-CE2 3.51Å; L170-F172 HydrophobicContact CD1-CE1 4.18Å; L170-F172 HydrophobicContact CD2-CE1 3.57Å; L170-F172 HydrophobicContact CD2-CE2 4.24Å; L170-F172 HydrophobicContact CD2-CZ 3.33Å; L170-F172 HydrophobicContact CG-CD1 4.32Å; L170-F172 HydrophobicContact CG-CE1 3.69Å; L170-F172 HydrophobicContact CG-CE2 4.34Å; L170-F172 HydrophobicContact CG-CZ 3.71Å; F172-M174 HydrophobicContact CB-CG 3.53Å; F172-M174 HydrophobicContact CB-SD 3.79Å; F172-M174 HydrophobicContact CG-SD 4.2Å; F172-M174 PolarHBondContact O-N 2.87Å; F172-R234 HydrophobicContact CD1-CG 4.22Å; F172-R234 HydrophobicContact CE1-CG 4.1Å; F172-I241 HydrophobicContact CE1-CD1 3.92Å; F172-I241 HydrophobicContact CE1-CG1 4.47Å; F172-I241 HydrophobicContact CE1-CG2 3.95Å; F172-I241 HydrophobicContact CE2-CG2 3.98Å; F172-I241 HydrophobicContact CZ-CD1 4.3Å; F172-I241 HydrophobicContact CZ-CG1 4.37Å; F172-I241 HydrophobicContact CZ-CG2 3.48Å; F172-I241 VanDerWaalsContact CZ-CG2 3.48Å
173D83.4Confident83.6Confident146 Ų14669.4 Ų69.478%0.78136%0.361SS*.  trans-90.892.5167.7-169.712.1000109.1R234D173-R234 PolarHBondContact O-NH1 2.94Å; D173-R234 PolarHBondContact O-NH2 3.23Å
174M82.6Confident82.6Confident44 Ų4468 Ų6822%0.21736%0.357CS..  trans-134.6156.9-177.4-19.4-168.9-48.200110.5Y74 P75 F172 P176 Q244Y74-M174 HydrophobicContact CD1-CE 3.71Å; Y74-M174 HydrophobicContact CD1-SD 4.21Å; Y74-M174 HydrophobicContact CE1-CE 4.15Å; Y74-M174 HydrophobicContact CE1-SD 4.39Å; P75-M174 HydrophobicContact CG-CB 4.48Å; P75-M174 VanDerWaalsContact CG-O 3.22Å; P75-M174 WeakPolarHBondContact CG-O 3.24Å; F172-M174 HydrophobicContact CB-CG 3.53Å; F172-M174 HydrophobicContact CB-SD 3.79Å; F172-M174 HydrophobicContact CG-SD 4.2Å; F172-M174 PolarHBondContact O-N 2.87Å; M174-P176 WeakPolarHBondContact O-CD 3.33Å; M174-Q244 HydrophobicContact CE-CB 3.67Å
175E80.9Confident82Confident173 Ų17375.5 Ų75.581%0.80840%0.398SS*.  trans-66129.3171.8-69.2-175.4168.100110.5T177E175-T177 PolarHBondContact O-N 3.48Å
176P78.9Confident81.9Confident71 Ų7173.6 Ų73.646%0.46139%0.394SS..  trans-46.7124.4168.4-35.140.8000112.8P75 Y76 M174P75-P176 HydrophobicContact CB-CG 4.26Å; Y76-P176 HydrophobicContact CD2-CB 4.46Å; Y76-P176 HydrophobicContact CE2-CB 3.51Å; Y76-P176 HydrophobicContact CE2-CG 4.12Å; Y76-P176 WeakPolarHBondContact OH-CB 3.27Å; M174-P176 WeakPolarHBondContact O-CD 3.33Å
177T78.2Confident81.8Confident66 Ų6675.8 Ų75.841%0.40541%0.41SS..  trans-105.3137.3173.4-46.50000110.5E175 V245E175-T177 PolarHBondContact O-N 3.48Å; T177-V245 HydrophobicContact CG2-CG2 3.28Å
178I74.2Confident81.7Confident119 Ų11975.6 Ų75.661%0.6141%0.412SS*.  trans-73.7127.7178.3-60.3170.6000109.1S180I178-S180 WeakPolarHBondContact CG2-OG 3.34Å
179I77.6Confident81.7Confident24 Ų2478.8 Ų78.812%0.12343%0.426CS..G310 helixtrans-82.1-25.2-173.9-54.5163.5000112.1H77 D181 Y182 I253H77-I179 WeakPolarHBondContact CE1-CD1 3.3Å; I179-D181 PolarHBondContact O-N 3.12Å; I179-Y182 VanDerWaalsContact O-CB 3.3Å; I179-Y182 WeakPolarHBondContact O-CB 3.44Å; I179-Y182 PolarHBondContact O-N 3.23Å; I179-I253 HydrophobicContact CB-CD1 4.35Å; I179-I253 HydrophobicContact CG2-CD1 3.52Å; I179-I253 HydrophobicContact CG2-CG1 4.3Å
180S68.6Low81.7Confident89 Ų8980.7 Ų80.762%0.62243%0.432SS*.G310 helixtrans-58.3-22.4-175.958.90000114.1I178 Y182I178-S180 WeakPolarHBondContact CG2-OG 3.34Å; S180-Y182 VanDerWaalsContact C-N 3.31Å
181D65.3Low81.7Confident127 Ų12780.6 Ų80.668%0.67943%0.431SS*.G310 helixtrans-94.310.2-176.6-58.9-5.8000112I179 D183I179-D181 PolarHBondContact O-N 3.12Å; D181-D183 PolarHBondContact O-N 2.95Å
182Y75.3Confident81.8Confident51 Ų5178.8 Ų78.820%0.242%0.42CS..  trans-7659.4174.9-159.1-117.9000111.9I179 S180 S184 K191 V245 A246 Y249I179-Y182 VanDerWaalsContact O-CB 3.3Å; I179-Y182 WeakPolarHBondContact O-CB 3.44Å; I179-Y182 PolarHBondContact O-N 3.23Å; S180-Y182 VanDerWaalsContact C-N 3.31Å; Y182-S184 PolarHBondContact O-N 3.23Å; Y182-K191 HydrophobicContact CE1-CD 3.76Å; Y182-V245 VanDerWaalsContact CB-CG1 3.44Å; Y182-V245 HydrophobicContact CD2-CB 3.85Å; Y182-V245 HydrophobicContact CD2-CG1 3.21Å; Y182-V245 HydrophobicContact CE2-CB 4.29Å; Y182-V245 HydrophobicContact CE2-CG1 4.1Å; Y182-V245 HydrophobicContact CG-CB 4.49Å; Y182-V245 HydrophobicContact CG-CG1 3.5Å; Y182-A246 HydrophobicContact CE1-CB 4.48Å; Y182-A246 HydrophobicContact CE2-CB 4.38Å; Y182-A246 WeakPolarHBondContact OH-CB 3.37Å; Y182-Y249 HydrophobicContact CD1-CD1 4.12Å; Y182-Y249 AromaticContact CD1-CD2 3.68Å; Y182-Y249 HydrophobicContact CD1-CD2 3.68Å; Y182-Y249 HydrophobicContact CD1-CE2 4.41Å; Y182-Y249 AromaticContact CD1-CG 3.51Å; Y182-Y249 HydrophobicContact CD1-CG 3.51Å; Y182-Y249 HydrophobicContact CE1-CD1 4.04Å; Y182-Y249 HydrophobicContact CE1-CD2 4.42Å; Y182-Y249 AromaticContact CE1-CG 3.86Å; Y182-Y249 HydrophobicContact CE1-CG 3.86Å
183D65Low82.1Confident141 Ų14183.6 Ų83.675%0.75445%0.445SS*.  trans-93.388.4174.8-165.35.3000108.8D181D181-D183 PolarHBondContact O-N 2.95Å
184S70.1Confident82.6Confident30 Ų3080 Ų8021%0.2143%0.426CS..  trans-104.8130.4161.764.40000109Y182 E186 K191Y182-S184 PolarHBondContact O-N 3.23Å; S184-E186 PolarHBondContact O-N 3.27Å; S184-K191 PolarHBondContact O-NZ 3.24Å; S184-K191 WeakPolarHBondContact OG-CD 3.39Å; S184-K191 WeakPolarHBondContact OG-CE 3.2Å; S184-K191 PolarHBondContact OG-NZ 3.16Å
185N80.9Confident83.2Confident169 Ų16978.1 Ų78.190%0.90442%0.416SS*.SBendtrans-60.87173.6-69.4-40.4000113.9
186E87.5Confident84Confident76 Ų7671.5 Ų71.536%0.35539%0.387SS..SBendtrans-87150.8-178.8-60.3-176.6138.200110.1S184 K190 K191S184-E186 PolarHBondContact O-N 3.27Å; E186-K190 HydrophobicContact CB-CD 4.25Å; E186-K190 HydrophobicContact CG-CD 4.24Å; E186-K190 WeakPolarHBondContact OE1-CE 3.46Å; E186-K190 IonicContact OE1-NZ 3.84Å; E186-K190 PolarHBondContact OE1-NZ 3.34Å; E186-K191 HydrophobicContact CB-CG 4.14Å; E186-K191 WeakPolarHBondContact O-CE 3.39Å
187S92.1Very high84.8Confident67 Ų6771.1 Ų71.147%0.46939%0.386SS..  trans-67.9150.3173.560.40000111.2E189 K190 K191S187-E189 PolarHBondContact O-N 3.11Å; S187-K190 PolarHBondContact O-N 3.16Å; S187-K190 PolarHBondContact OG-N 2.88Å; S187-K191 PolarHBondContact O-N 2.93Å
188D92.5Very high85.6Confident34 Ų3470.8 Ų70.818%0.18238%0.38CS..Hα-helixtrans-53.4-39.5174.1-7029000111.9K190 K191 L192 Y249 S254 Y256D188-K190 PolarHBondContact O-N 3.1Å; D188-K191 PolarHBondContact O-N 3.25Å; D188-L192 VanDerWaalsContact O-CB 3.24Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 PolarHBondContact O-N 3.12Å; D188-Y249 PolarHBondContact OD1-OH 3.19Å; D188-Y249 PolarHBondContact OD2-OH 3.45Å; D188-Y249 VanDerWaalsContact OD2-OH 3.14Å; D188-S254 PolarHBondContact OD2-OG 3.49Å; D188-Y256 HydrophobicContact CB-CD2 4.05Å; D188-Y256 HydrophobicContact CB-CG 3.95Å
189E93.9Very high86.7Confident102 Ų10265.4 Ų65.448%0.47735%0.352SS..Hα-helixtrans-57-47.3175.1-177.3-178179.400111.7S187 L192 L193 Y256S187-E189 PolarHBondContact O-N 3.11Å; E189-L192 PolarHBondContact O-N 3.45Å; E189-L193 HydrophobicContact CG-CD1 4.22Å; E189-L193 VanDerWaalsContact O-CG 3.31Å; E189-L193 WeakPolarHBondContact O-CG 3.22Å; E189-L193 PolarHBondContact O-N 3.37Å; E189-Y256 HydrophobicContact CB-CE2 4.13Å
190K93.6Very high87.5Confident97 Ų9768.3 Ų68.342%0.42237%0.368SS..Hα-helixtrans-64.8-46.7179.3-174.4-177.4176.9-163.80111E186 S187 D188 L192 L193 D194E186-K190 HydrophobicContact CB-CD 4.25Å; E186-K190 HydrophobicContact CG-CD 4.24Å; E186-K190 WeakPolarHBondContact OE1-CE 3.46Å; E186-K190 IonicContact OE1-NZ 3.84Å; E186-K190 PolarHBondContact OE1-NZ 3.34Å; S187-K190 PolarHBondContact O-N 3.16Å; S187-K190 PolarHBondContact OG-N 2.88Å; D188-K190 PolarHBondContact O-N 3.1Å; K190-L192 PolarHBondContact O-N 3.1Å; K190-L193 PolarHBondContact O-N 2.97Å; K190-D194 WeakPolarHBondContact O-CB 3.41Å; K190-D194 PolarHBondContact O-N 3.49Å
191K93.4Very high88.8Confident12 Ų1270 Ų705%0.05236%0.36CS..Hα-helixtrans-58.2-37.9176.9-62.7-179.5-146.1-164.50111.3Y182 S184 E186 S187 D188 L195 Y249 F250Y182-K191 HydrophobicContact CE1-CD 3.76Å; S184-K191 PolarHBondContact O-NZ 3.24Å; S184-K191 WeakPolarHBondContact OG-CD 3.39Å; S184-K191 WeakPolarHBondContact OG-CE 3.2Å; S184-K191 PolarHBondContact OG-NZ 3.16Å; E186-K191 HydrophobicContact CB-CG 4.14Å; E186-K191 WeakPolarHBondContact O-CE 3.39Å; S187-K191 PolarHBondContact O-N 2.93Å; D188-K191 PolarHBondContact O-N 3.25Å; K191-L195 WeakPolarHBondContact O-CB 3.33Å; K191-L195 PolarHBondContact O-N 3.18Å; K191-Y249 HydrophobicContact CD-CE1 4.18Å; K191-F250 HydrophobicContact CB-CE2 4.21Å; K191-F250 HydrophobicContact CB-CZ 3.66Å
192L95.2Very high90.2Very high14 Ų1463.9 Ų63.97%0.07333%0.328CS..Hα-helixtrans-70.3-46-179.5179.363000110.5L153 D188 E189 K190 D194 L195 L196 F250 Y256 I259L153-L192 HydrophobicContact CB-CD1 4.02Å; L153-L192 HydrophobicContact CD1-CD1 4.18Å; L153-L192 HydrophobicContact CD2-CD1 4.04Å; L153-L192 HydrophobicContact CG-CD1 4.32Å; D188-L192 VanDerWaalsContact O-CB 3.24Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 PolarHBondContact O-N 3.12Å; E189-L192 PolarHBondContact O-N 3.45Å; K190-L192 PolarHBondContact O-N 3.1Å; L192-D194 VanDerWaalsContact C-N 3.33Å; L192-D194 PolarHBondContact O-N 3.33Å; L192-L195 PolarHBondContact O-N 3.42Å; L192-L196 HydrophobicContact CD1-CD1 4.12Å; L192-L196 HydrophobicContact CD1-CG 4.23Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.09Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.93Å; L192-F250 VanDerWaalsContact CA-CZ 3.45Å; L192-F250 HydrophobicContact CB-CE1 4.02Å; L192-F250 HydrophobicContact CB-CE2 4.37Å; L192-F250 HydrophobicContact CB-CZ 3.67Å; L192-F250 HydrophobicContact CD1-CE1 4.38Å; L192-F250 HydrophobicContact CD1-CE2 4.4Å; L192-F250 HydrophobicContact CD1-CZ 4.27Å; L192-F250 VanDerWaalsContact N-CZ 3.28Å; L192-Y256 HydrophobicContact CD2-CD1 3.95Å; L192-Y256 HydrophobicContact CD2-CE1 3.8Å; L192-I259 HydrophobicContact CD2-CG1 4.35Å
193L95.4Very high91.1Very high104 Ų10461.7 Ų61.755%0.54532%0.32SS..Hα-helixtrans-61.3-41.5175.4-71.2174.1000111.7E189 K190 L196 S197E189-L193 HydrophobicContact CG-CD1 4.22Å; E189-L193 VanDerWaalsContact O-CG 3.31Å; E189-L193 WeakPolarHBondContact O-CG 3.22Å; E189-L193 PolarHBondContact O-N 3.37Å; K190-L193 PolarHBondContact O-N 2.97Å; L193-L196 PolarHBondContact O-N 3.18Å; L193-S197 WeakPolarHBondContact O-CB 3.38Å; L193-S197 PolarHBondContact O-N 2.83Å
194D94.3Very high92.5Very high70 Ų7057.6 Ų57.637%0.37430%0.3SS..Hα-helixtrans-64.4-42.9176.8-74.3-24.5000111.3K190 L192 S197 Q198K190-D194 WeakPolarHBondContact O-CB 3.41Å; K190-D194 PolarHBondContact O-N 3.49Å; L192-D194 VanDerWaalsContact C-N 3.33Å; L192-D194 PolarHBondContact O-N 3.33Å; D194-S197 PolarHBondContact O-N 3.46Å; D194-Q198 WeakPolarHBondContact O-CG 3.16Å; D194-Q198 PolarHBondContact O-N 2.94Å
195L95.4Very high93.7Very high4 Ų456.8 Ų56.82%0.02129%0.293CS..Hα-helixtrans-60.8-52.1174.3174.961.9000111.6I79 L153 K191 L192 S197 Q198 V199 P242 F250I79-L195 HydrophobicContact CD1-CD1 4.35Å; L153-L195 HydrophobicContact CD1-CD2 3.59Å; K191-L195 WeakPolarHBondContact O-CB 3.33Å; K191-L195 PolarHBondContact O-N 3.18Å; L192-L195 PolarHBondContact O-N 3.42Å; L195-S197 VanDerWaalsContact C-N 3.3Å; L195-S197 PolarHBondContact O-N 2.61Å; L195-Q198 PolarHBondContact O-N 2.68Å; L195-V199 HydrophobicContact CD1-CG2 4.35Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.46Å; L195-P242 HydrophobicContact CD1-CB 3.41Å; L195-P242 VanDerWaalsContact CD1-CB 3.41Å; L195-P242 HydrophobicContact CD1-CG 3.77Å; L195-F250 HydrophobicContact CB-CE2 4.27Å; L195-F250 HydrophobicContact CD2-CD2 3.43Å; L195-F250 VanDerWaalsContact CD2-CD2 3.43Å; L195-F250 HydrophobicContact CD2-CE2 3.77Å
196L96.3Very high94.3Very high35 Ų3549 Ų4918%0.18325%0.251CS..Hα-helixtrans-63.6-36.9-179.8-69.3173.6000111.6V36 L153 C154 L192 L193 V199 N200V36-L196 HydrophobicContact CB-CD2 4.2Å; V36-L196 HydrophobicContact CG1-CD2 4.2Å; V36-L196 HydrophobicContact CG2-CD2 4.23Å; L153-L196 HydrophobicContact CB-CD2 4.18Å; C154-L196 HydrophobicContact CB-CD1 3.88Å; C154-L196 HydrophobicContact CB-CD2 3.74Å; C154-L196 HydrophobicContact CB-CG 4.49Å; L192-L196 HydrophobicContact CD1-CD1 4.12Å; L192-L196 HydrophobicContact CD1-CG 4.23Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.09Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.93Å; L193-L196 PolarHBondContact O-N 3.18Å; L196-V199 PolarHBondContact O-N 3.33Å; L196-N200 WeakPolarHBondContact O-CB 3.35Å; L196-N200 PolarHBondContact O-N 2.95Å
197S96Very high94.5Very high63 Ų6346.9 Ų46.944%0.44125%0.247SC..Hα-helixtrans-63.6-45174.4-1790000111.8L193 D194 L195 N200 R201L193-S197 WeakPolarHBondContact O-CB 3.38Å; L193-S197 PolarHBondContact O-N 2.83Å; D194-S197 PolarHBondContact O-N 3.46Å; L195-S197 VanDerWaalsContact C-N 3.3Å; L195-S197 PolarHBondContact O-N 2.61Å; S197-N200 PolarHBondContact O-N 3.23Å; S197-R201 WeakPolarHBondContact O-CB 3.48Å; S197-R201 VanDerWaalsContact O-CG 3.24Å; S197-R201 WeakPolarHBondContact O-CG 3.45Å; S197-R201 PolarHBondContact O-N 2.72Å
198Q95.7Very high94.5Very high59 Ų5949.8 Ų49.828%0.27625%0.253SS..Hα-helixtrans-61.5-46.7174.5-74.2174.920.600111.7D194 L195 N200 R201 L202 P242D194-Q198 WeakPolarHBondContact O-CG 3.16Å; D194-Q198 PolarHBondContact O-N 2.94Å; L195-Q198 PolarHBondContact O-N 2.68Å; Q198-N200 PolarHBondContact O-N 3.37Å; Q198-R201 PolarHBondContact O-N 3.42Å; Q198-L202 PolarHBondContact O-N 2.8Å; Q198-P242 HydrophobicContact CB-CG 4.43Å
199V95.7Very high94.5Very high6 Ų651.1 Ų51.14%0.03626%0.258CS..Hα-helixtrans-56.8-49.1176168.90000110.7M72 I79 I81 L195 L196 R201 L202 S203 P242M72-V199 HydrophobicContact CE-CG2 4.31Å; I79-V199 HydrophobicContact CD1-CG2 4.27Å; I81-V199 HydrophobicContact CD1-CG1 3.34Å; I81-V199 HydrophobicContact CG1-CG1 4.15Å; L195-V199 HydrophobicContact CD1-CG2 4.35Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.46Å; L196-V199 PolarHBondContact O-N 3.33Å; V199-R201 PolarHBondContact O-N 2.88Å; V199-L202 WeakPolarHBondContact O-CB 3.27Å; V199-L202 PolarHBondContact O-N 3.41Å; V199-S203 PolarHBondContact O-N 3Å; V199-S203 PolarHBondContact O-OG 3.35Å; V199-P242 HydrophobicContact CG2-CG 3.73Å
200N94.8Very high94.3Very high84 Ų8446.2 Ų46.245%0.44924%0.235SC..Hα-helixtrans-63.7-41.3179.8-173.540.5000112.3L196 S197 Q198 L202 S203 V204L196-N200 WeakPolarHBondContact O-CB 3.35Å; L196-N200 PolarHBondContact O-N 2.95Å; S197-N200 PolarHBondContact O-N 3.23Å; Q198-N200 PolarHBondContact O-N 3.37Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.79Å; N200-S203 WeakPolarHBondContact O-CB 3.4Å; N200-S203 PolarHBondContact O-N 3.13Å; N200-V204 WeakPolarHBondContact O-CG2 3.29Å; N200-V204 PolarHBondContact O-N 2.96Å
201R96.1Very high94.1Very high124 Ų12443.1 Ų43.147%0.46822%0.223SC..Hα-helixtrans-60.5-39.2174.6-72.417163.8-153.8-4.7111.7S197 Q198 V199 H205 L240S197-R201 WeakPolarHBondContact O-CB 3.48Å; S197-R201 VanDerWaalsContact O-CG 3.24Å; S197-R201 WeakPolarHBondContact O-CG 3.45Å; S197-R201 PolarHBondContact O-N 2.72Å; Q198-R201 PolarHBondContact O-N 3.42Å; V199-R201 PolarHBondContact O-N 2.88Å; R201-H205 VanDerWaalsContact O-CB 3.3Å; R201-H205 WeakPolarHBondContact O-CB 3.48Å; R201-H205 PolarHBondContact O-N 2.85Å; R201-L240 HydrophobicContact CB-CD2 3.72Å
202L95.6Very high93.9Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-63.6-48.1172.7177.663.2000111.1L70 M72 Q198 V199 N200 V204 H205 L206 I233 L240L70-L202 HydrophobicContact CD2-CD2 4.1Å; M72-L202 HydrophobicContact CE-CD2 4.15Å; M72-L202 HydrophobicContact SD-CD2 3.63Å; Q198-L202 PolarHBondContact O-N 2.8Å; V199-L202 WeakPolarHBondContact O-CB 3.27Å; V199-L202 PolarHBondContact O-N 3.41Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.79Å; L202-V204 PolarHBondContact O-N 2.86Å; L202-H205 PolarHBondContact O-N 3.16Å; L202-L206 HydrophobicContact CD1-CD1 4.2Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CG-CD1 4.11Å; L202-L206 HydrophobicContact CG-CG 4.4Å; L202-L206 VanDerWaalsContact O-CG 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.21Å; L202-L206 PolarHBondContact O-N 3.49Å; L202-I233 HydrophobicContact CD1-CD1 4.03Å; L202-I233 HydrophobicContact CD1-CG1 3.88Å; L202-L240 HydrophobicContact CB-CB 4.2Å; L202-L240 HydrophobicContact CD1-CB 4.07Å; L202-L240 HydrophobicContact CD1-CD1 4.48Å
203S94.5Very high93.5Very high4 Ų453.4 Ų53.43%0.02828%0.278CS..Hα-helixtrans-56.8-47.2179.1-49.20000112Y164 V199 N200 L206 A207Y164-S203 VanDerWaalsContact OH-CB 3.28Å; Y164-S203 WeakPolarHBondContact OH-CB 3.35Å; Y164-S203 PolarHBondContact OH-OG 3.11Å; V199-S203 PolarHBondContact O-N 3Å; V199-S203 PolarHBondContact O-OG 3.35Å; N200-S203 WeakPolarHBondContact O-CB 3.4Å; N200-S203 PolarHBondContact O-N 3.13Å; S203-L206 PolarHBondContact O-N 3.19Å; S203-A207 WeakPolarHBondContact O-CB 3.23Å; S203-A207 PolarHBondContact O-N 2.95Å
204V93.9Very high92.9Very high56 Ų5650 Ų5034%0.33926%0.259SS..Hα-helixtrans-63-45.6176.8173.30000110.9N200 L202 L206 A207 E208N200-V204 WeakPolarHBondContact O-CG2 3.29Å; N200-V204 PolarHBondContact O-N 2.96Å; L202-V204 PolarHBondContact O-N 2.86Å; V204-L206 VanDerWaalsContact C-N 3.35Å; V204-L206 PolarHBondContact O-N 3.38Å; V204-A207 PolarHBondContact O-N 3.03Å; V204-A207 VanDerWaalsContact O-N 3.16Å; V204-E208 HydrophobicContact CG1-CG 4.22Å; V204-E208 WeakPolarHBondContact O-CG 3.28Å; V204-E208 PolarHBondContact O-N 2.81Å
205H94.3Very high92.4Very high12 Ų1256.9 Ų56.96%0.05629%0.286CS..Hα-helixtrans-59-44.9177.9176.659.7000112.5R201 L202 A207 E208 E209 R237 L240R201-H205 VanDerWaalsContact O-CB 3.3Å; R201-H205 WeakPolarHBondContact O-CB 3.48Å; R201-H205 PolarHBondContact O-N 2.85Å; L202-H205 PolarHBondContact O-N 3.16Å; H205-A207 VanDerWaalsContact C-N 3.32Å; H205-A207 PolarHBondContact O-N 2.78Å; H205-E208 PolarHBondContact O-N 2.82Å; H205-E209 WeakPolarHBondContact CE1-CG 3.42Å; H205-E209 IonicContact CE1-OE1 2.99Å; H205-E209 VanDerWaalsContact ND1-CG 3.27Å; H205-E209 WeakPolarHBondContact ND1-CG 3.41Å; H205-E209 IonicContact ND1-OE1 3.62Å; H205-E209 WeakPolarHBondContact O-CB 3.45Å; H205-E209 WeakPolarHBondContact O-CG 3.28Å; H205-E209 PolarHBondContact O-N 2.87Å; H205-R237 PolarHBondContact CE1-NE 2.78Å; H205-R237 PolarHBondContact CE1-NH1 3.44Å; H205-R237 VanDerWaalsContact CE1-NH1 3.26Å; H205-R237 PolarHBondContact ND1-NH1 3.45Å; H205-L240 HydrophobicContact CB-CD1 3.75Å; H205-L240 VanDerWaalsContact CD2-CD1 3.47Å; H205-L240 WeakPolarHBondContact CD2-CD1 3.38Å
206L93.9Very high92.1Very high5 Ų564.7 Ų64.73%0.02632%0.322CS..Hα-helixtrans-62.7-39.6176.9-67.6176.1000111.5L70 Y164 L202 S203 V204 S210 L226 I229 L230L70-L206 HydrophobicContact CD2-CD1 3.91Å; Y164-L206 HydrophobicContact CE1-CD1 4.33Å; L202-L206 HydrophobicContact CD1-CD1 4.2Å; L202-L206 HydrophobicContact CD1-CD2 4.46Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CG-CD1 4.11Å; L202-L206 HydrophobicContact CG-CG 4.4Å; L202-L206 VanDerWaalsContact O-CG 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.21Å; L202-L206 PolarHBondContact O-N 3.49Å; S203-L206 PolarHBondContact O-N 3.19Å; V204-L206 VanDerWaalsContact C-N 3.35Å; V204-L206 PolarHBondContact O-N 3.38Å; L206-S210 WeakPolarHBondContact O-CB 3.31Å; L206-S210 PolarHBondContact O-N 2.85Å; L206-S210 PolarHBondContact O-OG 3.25Å; L206-L226 HydrophobicContact CB-CD1 4.12Å; L206-L226 HydrophobicContact CD2-CD1 3.95Å; L206-L226 HydrophobicContact CG-CD1 4.49Å; L206-I229 HydrophobicContact CD2-CG2 3.67Å; L206-L230 HydrophobicContact CD1-CD2 3.95Å; L206-L230 HydrophobicContact CD2-CD2 3.75Å; L206-L230 HydrophobicContact CD2-CG 4.29Å
207A91.7Very high91.7Very high33 Ų3367.1 Ų67.127%0.27333%0.33SS..Hα-helixtrans-68.6-40.6178.900000112.9I163 S203 V204 H205 S210 M211I163-A207 HydrophobicContact CG2-CB 4.23Å; S203-A207 WeakPolarHBondContact O-CB 3.23Å; S203-A207 PolarHBondContact O-N 2.95Å; V204-A207 PolarHBondContact O-N 3.03Å; V204-A207 VanDerWaalsContact O-N 3.16Å; H205-A207 VanDerWaalsContact C-N 3.32Å; H205-A207 PolarHBondContact O-N 2.78Å; A207-S210 PolarHBondContact O-OG 3.41Å; A207-M211 WeakPolarHBondContact O-CG 3.41Å
208E92Very high91.4Very high128 Ų12866 Ų6660%0.59832%0.324SS*.Hα-helixtrans-76.4-51-177.9-70.5179.4164.100112.4V204 H205 S210 M211 L212V204-E208 HydrophobicContact CG1-CG 4.22Å; V204-E208 WeakPolarHBondContact O-CG 3.28Å; V204-E208 PolarHBondContact O-N 2.81Å; H205-E208 PolarHBondContact O-N 2.82Å; E208-S210 VanDerWaalsContact C-N 3.34Å; E208-S210 PolarHBondContact O-N 2.93Å; E208-M211 CarbonylContact O-C 3.55Å; E208-M211 PolarHBondContact O-N 2.82Å; E208-M211 VanDerWaalsContact O-N 3.15Å; E208-L212 PolarHBondContact O-N 3.44Å; E208-L212 VanDerWaalsContact O-N 3.08Å
209E92.2Very high91.1Very high61 Ų6166.5 Ų66.529%0.28533%0.332SS..Hα-helixtrans-67.8-34.1-175.5-67.9-69.8162.100112.7H205 M211 L212 I229 R237H205-E209 WeakPolarHBondContact CE1-CG 3.42Å; H205-E209 IonicContact CE1-OE1 2.99Å; H205-E209 VanDerWaalsContact ND1-CG 3.27Å; H205-E209 WeakPolarHBondContact ND1-CG 3.41Å; H205-E209 IonicContact ND1-OE1 3.62Å; H205-E209 WeakPolarHBondContact O-CB 3.45Å; H205-E209 WeakPolarHBondContact O-CG 3.28Å; H205-E209 PolarHBondContact O-N 2.87Å; E209-M211 PolarHBondContact O-N 3.46Å; E209-L212 WeakPolarHBondContact O-CB 3.33Å; E209-L212 PolarHBondContact O-N 2.73Å; E209-I229 HydrophobicContact CB-CD1 3.54Å; E209-I229 HydrophobicContact CB-CG1 4.37Å; E209-R237 IonicContact OE1-NH2 2.61Å; E209-R237 PolarHBondContact OE1-NH2 3.47Å
210S90.5Very high90.8Very high0 Ų073.7 Ų73.70%037%0.366CS..Hα-helixtrans-66.1-24.3176.958.50000112.6L206 A207 E208 F222 K225L206-S210 WeakPolarHBondContact O-CB 3.31Å; L206-S210 PolarHBondContact O-N 2.85Å; L206-S210 PolarHBondContact O-OG 3.25Å; A207-S210 PolarHBondContact O-OG 3.41Å; E208-S210 VanDerWaalsContact C-N 3.34Å; E208-S210 PolarHBondContact O-N 2.93Å; S210-F222 WeakPolarHBondContact OG-CE2 3.33Å; S210-K225 WeakPolarHBondContact O-CD 3.43Å
211M90.4Very high90.6Very high32 Ų3272 Ų7216%0.15836%0.358CS..THydrogen-bonded Turntrans-99.7-0.7177-68.4-65-56.800113.3A207 E208 E209 D213 Q214 Y217 F222A207-M211 WeakPolarHBondContact O-CG 3.41Å; E208-M211 CarbonylContact O-C 3.55Å; E208-M211 PolarHBondContact O-N 2.82Å; E208-M211 VanDerWaalsContact O-N 3.15Å; E209-M211 PolarHBondContact O-N 3.46Å; M211-D213 PolarHBondContact O-N 3.09Å; M211-Q214 HydrophobicContact CE-CB 4.24Å; M211-Q214 WeakPolarHBondContact O-CB 3.46Å; M211-Q214 PolarHBondContact O-N 3.19Å; M211-Y217 HydrophobicContact SD-CD2 4.05Å; M211-F222 HydrophobicContact CG-CD2 4.27Å; M211-F222 HydrophobicContact CG-CE2 4.19Å; M211-F222 HydrophobicContact SD-CD2 3.73Å; M211-F222 HydrophobicContact SD-CE2 4.12Å
212L89.2Confident90.4Very high91 Ų9166.3 Ų66.348%0.47634%0.337SS..THydrogen-bonded Turntrans-54.2136.3178.3-163.272.8000109.8E208 E209 Q214 K225E208-L212 PolarHBondContact O-N 3.44Å; E208-L212 VanDerWaalsContact O-N 3.08Å; E209-L212 WeakPolarHBondContact O-CB 3.33Å; E209-L212 PolarHBondContact O-N 2.73Å; L212-Q214 PolarHBondContact O-N 2.96Å; L212-Q214 VanDerWaalsContact O-N 3.09Å; L212-K225 PolarHBondContact O-NZ 3.44Å
213D86.2Confident90.1Very high150 Ų15071.8 Ų71.880%0.80236%0.361SS*.THydrogen-bonded Turntrans61.37.8-175.1-46.5-50000116.2M211M211-D213 PolarHBondContact O-N 3.09Å
214Q83Confident89.9Confident34 Ų3479.7 Ų79.716%0.15939%0.39CS..  trans-114.3114176.6-66.9-178.514.100110.9M211 L212M211-Q214 HydrophobicContact CE-CB 4.24Å; M211-Q214 WeakPolarHBondContact O-CB 3.46Å; M211-Q214 PolarHBondContact O-N 3.19Å; L212-Q214 PolarHBondContact O-N 2.96Å; L212-Q214 VanDerWaalsContact O-N 3.09Å
215K82.6Confident89.8Confident214 Ų21480.1 Ų80.193%0.9339%0.387SS*.SBendtrans-78.3-33.5170.5-66.7-173.9179-1780112.2
216E88.6Confident89.8Confident167 Ų16779.9 Ų79.978%0.7839%0.386SS*.SBendtrans-113.5146.1-179.4-68.5-179.2-175.800110.4A218E216-A218 PolarHBondContact O-N 2.91Å
217Y88.2Confident89.6Confident87 Ų8781.6 Ų81.634%0.34140%0.401SS..  trans-77.2114.9-179.9178-114.6000111.2R165 M211 P219 F222R165-Y217 HydrophobicContact CB-CE2 4.26Å; R165-Y217 HydrophobicContact CG-CE2 4.43Å; M211-Y217 HydrophobicContact SD-CD2 4.05Å; Y217-P219 HydrophobicContact CD1-CG 4.24Å; Y217-P219 HydrophobicContact CE1-CB 4.27Å; Y217-P219 HydrophobicContact CE1-CG 3.7Å; Y217-F222 HydrophobicContact CD2-CB 4.29Å; Y217-F222 HydrophobicContact CD2-CD2 4.26Å; Y217-F222 HydrophobicContact CD2-CG 4.31Å; Y217-F222 HydrophobicContact CE2-CB 3.75Å; Y217-F222 AromaticContact CE2-CD1 3.95Å; Y217-F222 HydrophobicContact CE2-CD1 3.95Å; Y217-F222 AromaticContact CE2-CD2 3.86Å; Y217-F222 HydrophobicContact CE2-CD2 3.86Å; Y217-F222 HydrophobicContact CE2-CE2 4.43Å; Y217-F222 AromaticContact CE2-CG 3.58Å; Y217-F222 HydrophobicContact CE2-CG 3.58Å
218A90.1Very high89.7Confident39 Ų3981.5 Ų81.532%0.32240%0.404SS..  trans-112.3107.1171.700000109.6E216 E220 T221 F222E216-A218 PolarHBondContact O-N 2.91Å; A218-E220 VanDerWaalsContact C-N 3.35Å; A218-E220 PolarHBondContact O-N 2.85Å; A218-T221 PolarHBondContact O-N 3.34Å; A218-T221 VanDerWaalsContact O-N 3.16Å; A218-F222 WeakPolarHBondContact O-CB 3.45Å; A218-F222 PolarHBondContact O-N 3.22Å
219P88.8Confident89.7Confident69 Ų6977 Ų7745%0.44838%0.383SS..Hα-helixtrans-54.1-43.9-170.4-26.831.2000114.6Y217 K223Y217-P219 HydrophobicContact CD1-CG 4.24Å; Y217-P219 HydrophobicContact CE1-CB 4.27Å; Y217-P219 HydrophobicContact CE1-CG 3.7Å; P219-K223 WeakPolarHBondContact O-CB 3.47Å; P219-K223 VanDerWaalsContact O-CG 3.29Å; P219-K223 WeakPolarHBondContact O-CG 3.48Å; P219-K223 PolarHBondContact O-N 3.13Å
220E89.8Confident89.7Confident158 Ų15874.6 Ų74.674%0.73837%0.372SS*.Hα-helixtrans-68.9-39.9-178.1-63-175.7168.300112.5A218 R224A218-E220 VanDerWaalsContact C-N 3.35Å; A218-E220 PolarHBondContact O-N 2.85Å; E220-R224 WeakPolarHBondContact O-CB 3.4Å; E220-R224 PolarHBondContact O-N 3.13Å; E220-R224 VanDerWaalsContact O-N 3.13Å
221T90.2Very high89.7Confident48 Ų4880.7 Ų80.729%0.29441%0.405SS..Hα-helixtrans-72.2-41179.2-45.10000110.6A218 R224 K225A218-T221 PolarHBondContact O-N 3.34Å; A218-T221 VanDerWaalsContact O-N 3.16Å; T221-R224 PolarHBondContact O-N 2.96Å; T221-K225 WeakPolarHBondContact O-CG 3.22Å; T221-K225 PolarHBondContact O-N 2.82Å
222F91.8Very high89.9Confident5 Ų582.7 Ų82.72%0.02242%0.416CS..Hα-helixtrans-56.8-53.7173.5176.9-91.2000111.1R165 T166 S210 M211 Y217 A218 R224 K225 L226R165-F222 HydrophobicContact CB-CE1 3.97Å; R165-F222 HydrophobicContact CB-CE2 4.42Å; R165-F222 HydrophobicContact CB-CZ 3.8Å; R165-F222 HydrophobicContact CG-CE2 4.33Å; R165-F222 HydrophobicContact CG-CZ 4.1Å; T166-F222 HydrophobicContact CG2-CE1 4.34Å; S210-F222 WeakPolarHBondContact OG-CE2 3.33Å; M211-F222 HydrophobicContact CG-CD2 4.27Å; M211-F222 HydrophobicContact CG-CE2 4.19Å; M211-F222 HydrophobicContact SD-CD2 3.73Å; M211-F222 HydrophobicContact SD-CE2 4.12Å; Y217-F222 HydrophobicContact CD2-CB 4.29Å; Y217-F222 HydrophobicContact CD2-CD2 4.26Å; Y217-F222 HydrophobicContact CD2-CG 4.31Å; Y217-F222 HydrophobicContact CE2-CB 3.75Å; Y217-F222 AromaticContact CE2-CD1 3.95Å; Y217-F222 HydrophobicContact CE2-CD1 3.95Å; Y217-F222 AromaticContact CE2-CD2 3.86Å; Y217-F222 HydrophobicContact CE2-CD2 3.86Å; Y217-F222 HydrophobicContact CE2-CE2 4.43Å; Y217-F222 AromaticContact CE2-CG 3.58Å; Y217-F222 HydrophobicContact CE2-CG 3.58Å; A218-F222 WeakPolarHBondContact O-CB 3.45Å; A218-F222 PolarHBondContact O-N 3.22Å; F222-R224 VanDerWaalsContact C-N 3.3Å; F222-R224 PolarHBondContact O-N 3.44Å; F222-K225 PolarHBondContact O-N 2.93Å; F222-L226 HydrophobicContact CD1-CD2 4.36Å; F222-L226 HydrophobicContact CE1-CD2 3.52Å; F222-L226 HydrophobicContact CZ-CD2 3.87Å; F222-L226 VanDerWaalsContact O-CB 3.32Å; F222-L226 WeakPolarHBondContact O-CB 3.49Å; F222-L226 PolarHBondContact O-N 3.47Å
223K90.5Very high90Very high115 Ų11578.4 Ų78.450%0.539%0.394SS..Hα-helixtrans-56.8-42.8178.9-77-178.2177.4-170.60112.3P219 L226 A227P219-K223 WeakPolarHBondContact O-CB 3.47Å; P219-K223 VanDerWaalsContact O-CG 3.29Å; P219-K223 WeakPolarHBondContact O-CG 3.48Å; P219-K223 PolarHBondContact O-N 3.13Å; K223-L226 PolarHBondContact O-N 3.2Å; K223-A227 WeakPolarHBondContact O-CB 3.42Å; K223-A227 PolarHBondContact O-N 3.33Å
224R90.7Very high90.1Very high169 Ų16976.6 Ų76.664%0.63838%0.376SS*.Hα-helixtrans-63.9-44.8178.6-166.2-167.2-40160.910.3112.5E220 T221 F222 G228E220-R224 WeakPolarHBondContact O-CB 3.4Å; E220-R224 PolarHBondContact O-N 3.13Å; E220-R224 VanDerWaalsContact O-N 3.13Å; T221-R224 PolarHBondContact O-N 2.96Å; F222-R224 VanDerWaalsContact C-N 3.3Å; F222-R224 PolarHBondContact O-N 3.44Å; R224-G228 PolarHBondContact O-N 3.47Å; R224-G228 VanDerWaalsContact O-N 3.15Å
225K92.1Very high90.5Very high66 Ų6682.3 Ų82.329%0.28740%0.403SS..Hα-helixtrans-64.5-47176.8-76-169.9173.2-159.40111S210 L212 T221 F222 A227 G228 I229S210-K225 WeakPolarHBondContact O-CD 3.43Å; L212-K225 PolarHBondContact O-NZ 3.44Å; T221-K225 WeakPolarHBondContact O-CG 3.22Å; T221-K225 PolarHBondContact O-N 2.82Å; F222-K225 PolarHBondContact O-N 2.93Å; K225-A227 PolarHBondContact O-N 3.02Å; K225-G228 CarbonylContact O-C 3.6Å; K225-G228 WeakPolarHBondContact O-CA 3.39Å; K225-G228 PolarHBondContact O-N 2.85Å; K225-G228 VanDerWaalsContact O-N 3.08Å; K225-I229 WeakPolarHBondContact O-CG1 3.25Å; K225-I229 PolarHBondContact O-N 3.13Å
226L92.5Very high90.9Very high6 Ų676.9 Ų76.93%0.03139%0.387CS..Hα-helixtrans-60.3-46.3-179.7-174.453.8000111.9E168 L206 F222 K223 G228 I229 L230E168-L226 HydrophobicContact CG-CD2 3.54Å; E168-L226 HydrophobicContact CG-CG 4.19Å; L206-L226 HydrophobicContact CB-CD1 4.12Å; L206-L226 HydrophobicContact CD2-CD1 3.95Å; L206-L226 HydrophobicContact CG-CD1 4.49Å; F222-L226 HydrophobicContact CD1-CD2 4.36Å; F222-L226 HydrophobicContact CE1-CD2 3.52Å; F222-L226 HydrophobicContact CZ-CD2 3.87Å; F222-L226 VanDerWaalsContact O-CB 3.32Å; F222-L226 WeakPolarHBondContact O-CB 3.49Å; F222-L226 PolarHBondContact O-N 3.47Å; K223-L226 PolarHBondContact O-N 3.2Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-G228 PolarHBondContact O-N 3.01Å; L226-I229 PolarHBondContact O-N 2.84Å; L226-I229 VanDerWaalsContact O-N 3.14Å; L226-L230 HydrophobicContact CD1-CD1 4.25Å; L226-L230 HydrophobicContact CD1-CG 4.22Å; L226-L230 HydrophobicContact CG-CD1 4.03Å; L226-L230 HydrophobicContact CG-CG 4.46Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 VanDerWaalsContact O-CG 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.43Å; L226-L230 PolarHBondContact O-N 3.4Å
227A91.4Very high91Very high42 Ų4273.1 Ų73.135%0.34737%0.366SS..Hα-helixtrans-58.4-40.1173.300000112.2K223 K225 N231K223-A227 WeakPolarHBondContact O-CB 3.42Å; K223-A227 PolarHBondContact O-N 3.33Å; K225-A227 PolarHBondContact O-N 3.02Å; A227-N231 WeakPolarHBondContact O-CB 3.46Å; A227-N231 PolarHBondContact O-N 3.31Å; A227-N231 PolarHBondContact O-ND2 3.48Å; A227-N231 VanDerWaalsContact O-ND2 3.12Å
228G92.5Very high91.2Very high31 Ų3172.5 Ų72.532%0.3237%0.372SS..Hα-helixtrans-63.4-40.6174.700000113.5R224 K225 L226 N232R224-G228 PolarHBondContact O-N 3.47Å; R224-G228 VanDerWaalsContact O-N 3.15Å; K225-G228 CarbonylContact O-C 3.6Å; K225-G228 WeakPolarHBondContact O-CA 3.39Å; K225-G228 PolarHBondContact O-N 2.85Å; K225-G228 VanDerWaalsContact O-N 3.08Å; L226-G228 VanDerWaalsContact C-N 3.28Å; L226-G228 PolarHBondContact O-N 3.01Å; G228-N232 PolarHBondContact O-N 2.88Å; G228-N232 PolarHBondContact O-ND2 3.04Å
229I92.6Very high91.3Very high33 Ų3375.3 Ų75.317%0.16938%0.379CS..Hα-helixtrans-66.9-50.7176.4-64.3156.6000109.8L206 E209 K225 L226 N231 N232 I233L206-I229 HydrophobicContact CD2-CG2 3.67Å; E209-I229 HydrophobicContact CB-CD1 3.54Å; E209-I229 HydrophobicContact CB-CG1 4.37Å; K225-I229 WeakPolarHBondContact O-CG1 3.25Å; K225-I229 PolarHBondContact O-N 3.13Å; L226-I229 PolarHBondContact O-N 2.84Å; L226-I229 VanDerWaalsContact O-N 3.14Å; I229-N231 VanDerWaalsContact C-N 3.3Å; I229-N231 PolarHBondContact O-N 3.01Å; I229-N232 CarbonylContact O-C 3.52Å; I229-N232 PolarHBondContact O-N 3.16Å; I229-I233 HydrophobicContact CG2-CD1 4.4Å; I229-I233 WeakPolarHBondContact O-CA 3.35Å; I229-I233 WeakPolarHBondContact O-CB 3.45Å; I229-I233 PolarHBondContact O-N 3.16Å
230L92.5Very high91.6Very high10 Ų1072.2 Ų72.25%0.05236%0.358CS..Hα-helixtrans-58.1-40.4-179.3-72.2172.4000112.3L70 E168 L170 L206 L226 N232 I233L70-L230 HydrophobicContact CD1-CD2 4.36Å; E168-L230 HydrophobicContact CB-CD1 3.96Å; E168-L230 HydrophobicContact CG-CD1 4.18Å; L170-L230 HydrophobicContact CB-CD2 4.4Å; L170-L230 HydrophobicContact CD1-CB 4.26Å; L170-L230 HydrophobicContact CD1-CD2 4.35Å; L170-L230 WeakPolarHBondContact CD1-O 3.46Å; L170-L230 HydrophobicContact CD2-CD2 4.13Å; L206-L230 HydrophobicContact CD1-CD2 3.95Å; L206-L230 HydrophobicContact CD2-CD2 3.75Å; L206-L230 HydrophobicContact CD2-CG 4.29Å; L226-L230 HydrophobicContact CD1-CD1 4.25Å; L226-L230 HydrophobicContact CD1-CG 4.22Å; L226-L230 HydrophobicContact CG-CD1 4.03Å; L226-L230 HydrophobicContact CG-CG 4.46Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 VanDerWaalsContact O-CG 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.43Å; L226-L230 PolarHBondContact O-N 3.4Å; L230-N232 VanDerWaalsContact C-N 3.27Å; L230-N232 PolarHBondContact O-N 2.85Å; L230-I233 VanDerWaalsContact O-CG2 3.26Å; L230-I233 WeakPolarHBondContact O-CG2 3.24Å
231N91Very high91.7Very high129 Ų12965.7 Ų65.769%0.6933%0.328SS*.Hα-helixtrans-66.4-27.3177.4-74.5-26.3000113.6A227 I229A227-N231 WeakPolarHBondContact O-CB 3.46Å; A227-N231 PolarHBondContact O-N 3.31Å; A227-N231 PolarHBondContact O-ND2 3.48Å; A227-N231 VanDerWaalsContact O-ND2 3.12Å; I229-N231 VanDerWaalsContact C-N 3.3Å; I229-N231 PolarHBondContact O-N 3.01Å
232N92.7Very high91.9Very high73 Ų7363.4 Ų63.439%0.3932%0.315SS..Hα-helixtrans-109.4-3.8-174.6-64.2-55.5000113.5G228 I229 L230 R234 Q235 V236G228-N232 PolarHBondContact O-N 2.88Å; G228-N232 PolarHBondContact O-ND2 3.04Å; I229-N232 CarbonylContact O-C 3.52Å; I229-N232 PolarHBondContact O-N 3.16Å; L230-N232 VanDerWaalsContact C-N 3.27Å; L230-N232 PolarHBondContact O-N 2.85Å; N232-R234 PolarHBondContact O-N 2.81Å; N232-R234 VanDerWaalsContact O-N 3.12Å; N232-Q235 WeakPolarHBondContact O-CA 2.93Å; N232-Q235 WeakPolarHBondContact O-CB 3.09Å; N232-Q235 PolarHBondContact O-N 2.84Å; N232-V236 HydrophobicContact CB-CG2 4.05Å; N232-V236 WeakPolarHBondContact O-CG2 3.45Å; N232-V236 PolarHBondContact O-N 3.1Å
233I92.2Very high91.8Very high2 Ų269.3 Ų69.31%0.0134%0.342CS..Hα-helixtrans-56.9-36.6-170.3-169.664.2000112.6L170 L202 I229 L230 Q235 V236 R237 L240 I241L170-I233 HydrophobicContact CD1-CG2 4.39Å; L170-I233 HydrophobicContact CD2-CG2 4.09Å; L202-I233 HydrophobicContact CD1-CD1 4.03Å; L202-I233 HydrophobicContact CD1-CG1 3.88Å; I229-I233 HydrophobicContact CG2-CD1 4.4Å; I229-I233 WeakPolarHBondContact O-CA 3.35Å; I229-I233 WeakPolarHBondContact O-CB 3.45Å; I229-I233 PolarHBondContact O-N 3.16Å; L230-I233 VanDerWaalsContact O-CG2 3.26Å; L230-I233 WeakPolarHBondContact O-CG2 3.24Å; I233-Q235 VanDerWaalsContact C-N 3.29Å; I233-Q235 PolarHBondContact O-N 3.44Å; I233-V236 PolarHBondContact O-N 2.97Å; I233-R237 HydrophobicContact CD1-CB 4.13Å; I233-R237 CarbonylContact O-C 3.55Å; I233-R237 WeakPolarHBondContact O-CA 3.42Å; I233-R237 PolarHBondContact O-N 2.86Å; I233-L240 HydrophobicContact CD1-CD1 4.35Å; I233-I241 HydrophobicContact CG1-CD1 4.43Å; I233-I241 HydrophobicContact CG1-CG1 4.43Å; I233-I241 HydrophobicContact CG2-CD1 3.97Å
234R88.8Confident91.8Very high111 Ų11164 Ų6442%0.41932%0.319SS..Hα-helixtrans-63.5-32.2175.7-67.6179.677-172.63.2113.7F172 D173 N232 P238 I241F172-R234 HydrophobicContact CD1-CG 4.22Å; F172-R234 HydrophobicContact CE1-CG 4.1Å; D173-R234 PolarHBondContact O-NH1 2.94Å; D173-R234 PolarHBondContact O-NH2 3.23Å; N232-R234 PolarHBondContact O-N 2.81Å; N232-R234 VanDerWaalsContact O-N 3.12Å; R234-P238 WeakPolarHBondContact O-CB 3.31Å; R234-I241 HydrophobicContact CB-CD1 4.04Å; R234-I241 HydrophobicContact CG-CD1 3.35Å
235Q90.2Very high91.8Very high155 Ų15556.9 Ų56.972%0.72429%0.294SS*.Hα-helixtrans-87-37.6-178.1-61.4176.910.800111.1N232 I233N232-Q235 WeakPolarHBondContact O-CA 2.93Å; N232-Q235 WeakPolarHBondContact O-CB 3.09Å; N232-Q235 PolarHBondContact O-N 2.84Å; I233-Q235 VanDerWaalsContact C-N 3.29Å; I233-Q235 PolarHBondContact O-N 3.44Å
236V90.9Very high91.8Very high99 Ų9954.2 Ų54.260%0.628%0.284SS*.Hα-helixtrans-87.2-42.4-173.2-176.20000111.9N232 I233N232-V236 HydrophobicContact CB-CG2 4.05Å; N232-V236 WeakPolarHBondContact O-CG2 3.45Å; N232-V236 PolarHBondContact O-N 3.1Å; I233-V236 PolarHBondContact O-N 2.97Å
237R92Very high91.9Very high88 Ų8853.9 Ų53.933%0.33228%0.283SS..  trans-14265.5-178.5-64.2-161.7-176.5174.88.4112.2H205 E209 I233 E239 L240H205-R237 PolarHBondContact CE1-NE 2.78Å; H205-R237 PolarHBondContact CE1-NH1 3.44Å; H205-R237 VanDerWaalsContact CE1-NH1 3.26Å; H205-R237 PolarHBondContact ND1-NH1 3.45Å; E209-R237 IonicContact OE1-NH2 2.61Å; E209-R237 PolarHBondContact OE1-NH2 3.47Å; I233-R237 HydrophobicContact CD1-CB 4.13Å; I233-R237 CarbonylContact O-C 3.55Å; I233-R237 WeakPolarHBondContact O-CA 3.42Å; I233-R237 PolarHBondContact O-N 2.86Å; R237-E239 VanDerWaalsContact CA-OE2 3.24Å; R237-E239 WeakPolarHBondContact CA-OE2 3.34Å; R237-E239 WeakPolarHBondContact CB-OE1 3.42Å; R237-E239 PolarHBondContact O-N 3.44Å; R237-L240 HydrophobicContact CB-CB 4.49Å; R237-L240 HydrophobicContact CB-CD1 3.71Å; R237-L240 HydrophobicContact CB-CG 3.92Å; R237-L240 HydrophobicContact CG-CD1 4.25Å; R237-L240 PolarHBondContact O-N 2.85Å
238P91.7Very high91.9Very high74 Ų7451.9 Ų51.948%0.48127%0.266SS..G310 helixtrans-57.4-27.8177.423.5-33.3000113.2R234 L240 I241R234-P238 WeakPolarHBondContact O-CB 3.31Å; P238-L240 PolarHBondContact O-N 3.3Å; P238-I241 PolarHBondContact O-N 3.29Å; P238-I241 VanDerWaalsContact O-N 3.13Å
239E93.1Very high92Very high98 Ų9851.6 Ų51.646%0.45826%0.256SS..G310 helixtrans-67-13.6179.873.5-75.917800114.6R237R237-E239 VanDerWaalsContact CA-OE2 3.24Å; R237-E239 WeakPolarHBondContact CA-OE2 3.34Å; R237-E239 WeakPolarHBondContact CB-OE1 3.42Å; R237-E239 PolarHBondContact O-N 3.44Å
240L93.7Very high92.1Very high4 Ų450 Ų502%0.02125%0.248CC..G310 helixtrans-87.6-13175.6-64-177.7000112.7R201 L202 H205 I233 R237 P238 P242R201-L240 HydrophobicContact CB-CD2 3.72Å; L202-L240 HydrophobicContact CB-CB 4.2Å; L202-L240 HydrophobicContact CD1-CB 4.07Å; L202-L240 HydrophobicContact CD1-CD1 4.48Å; H205-L240 HydrophobicContact CB-CD1 3.75Å; H205-L240 VanDerWaalsContact CD2-CD1 3.47Å; H205-L240 WeakPolarHBondContact CD2-CD1 3.38Å; I233-L240 HydrophobicContact CD1-CD1 4.35Å; R237-L240 HydrophobicContact CB-CB 4.49Å; R237-L240 HydrophobicContact CB-CD1 3.71Å; R237-L240 HydrophobicContact CB-CG 3.92Å; R237-L240 HydrophobicContact CG-CD1 4.25Å; R237-L240 PolarHBondContact O-N 2.85Å; P238-L240 PolarHBondContact O-N 3.3Å; L240-P242 WeakPolarHBondContact O-CD 3.19Å
241I93.2Very high92.1Very high21 Ų2149.7 Ų49.711%0.10825%0.246CC..SBendtrans-94.2119.6-174.7-58.5172.9000108.4F172 I233 R234 P238 Q243F172-I241 HydrophobicContact CE1-CD1 3.92Å; F172-I241 HydrophobicContact CE1-CG1 4.47Å; F172-I241 HydrophobicContact CE1-CG2 3.95Å; F172-I241 HydrophobicContact CE2-CG2 3.98Å; F172-I241 HydrophobicContact CZ-CD1 4.3Å; F172-I241 HydrophobicContact CZ-CG1 4.37Å; F172-I241 HydrophobicContact CZ-CG2 3.48Å; F172-I241 VanDerWaalsContact CZ-CG2 3.48Å; I233-I241 HydrophobicContact CG1-CD1 4.43Å; I233-I241 HydrophobicContact CG1-CG1 4.43Å; I233-I241 HydrophobicContact CG2-CD1 3.97Å; R234-I241 HydrophobicContact CB-CD1 4.04Å; R234-I241 HydrophobicContact CG-CD1 3.35Å; P238-I241 PolarHBondContact O-N 3.29Å; P238-I241 VanDerWaalsContact O-N 3.13Å; I241-Q243 PolarHBondContact O-N 2.97Å
242P93Very high92Very high1 Ų146.3 Ų46.31%0.00623%0.228CC..PPolyproline II helixtrans-56.3138.9173.9-27.936.9000112.6Y74 I79 L195 Q198 V199 L240 V247Y74-P242 VanDerWaalsContact CE1-O 3.31Å; Y74-P242 WeakPolarHBondContact CE1-O 3.28Å; Y74-P242 PolarHBondContact OH-O 3.31Å; I79-P242 HydrophobicContact CD1-CB 3.91Å; I79-P242 HydrophobicContact CD1-CG 3.82Å; L195-P242 HydrophobicContact CD1-CB 3.41Å; L195-P242 VanDerWaalsContact CD1-CB 3.41Å; L195-P242 HydrophobicContact CD1-CG 3.77Å; Q198-P242 HydrophobicContact CB-CG 4.43Å; V199-P242 HydrophobicContact CG2-CG 3.73Å; L240-P242 WeakPolarHBondContact O-CD 3.19Å; P242-V247 HydrophobicContact CB-CG2 4.15Å
243Q90.4Very high91.9Very high129 Ų12947 Ų4760%0.60323%0.231SC*.PPolyproline II helixtrans-67.8134.4175.4-64.9-178.1-5.800110.1I241 V245 A246 V247I241-Q243 PolarHBondContact O-N 2.97Å; Q243-V245 PolarHBondContact O-N 3.28Å; Q243-V245 VanDerWaalsContact O-N 3.11Å; Q243-A246 WeakPolarHBondContact O-CB 3.1Å; Q243-A246 PolarHBondContact O-N 3.29Å; Q243-V247 PolarHBondContact O-N 2.88Å
244Q90.6Very high91.8Very high4 Ų447.1 Ų47.12%0.01923%0.232CC..Hα-helixtrans-53.2-37.1179.7178.6176.7-5.900112.6Y74 M174 A246 V247 G248Y74-Q244 HydrophobicContact CD1-CB 3.78Å; Y74-Q244 HydrophobicContact CD1-CG 4.19Å; Y74-Q244 HydrophobicContact CE1-CB 4.29Å; Y74-Q244 HydrophobicContact CG-CB 4.48Å; Y74-Q244 HydrophobicContact CG-CG 4.45Å; M174-Q244 HydrophobicContact CE-CB 3.67Å; Q244-A246 VanDerWaalsContact C-N 3.34Å; Q244-A246 PolarHBondContact O-N 3.47Å; Q244-V247 PolarHBondContact O-N 2.85Å; Q244-G248 PolarHBondContact O-N 2.91Å
245V91.2Very high91.9Very high19 Ų1947.2 Ų47.212%0.11525%0.25CC..Hα-helixtrans-62.8-40.8-179.4-167.70000111.7T177 Y182 Q243 G248 Y249T177-V245 HydrophobicContact CG2-CG2 3.28Å; Y182-V245 VanDerWaalsContact CB-CG1 3.44Å; Y182-V245 HydrophobicContact CD2-CB 3.85Å; Y182-V245 HydrophobicContact CD2-CG1 3.21Å; Y182-V245 HydrophobicContact CE2-CB 4.29Å; Y182-V245 HydrophobicContact CE2-CG1 4.1Å; Y182-V245 HydrophobicContact CG-CB 4.49Å; Y182-V245 HydrophobicContact CG-CG1 3.5Å; Q243-V245 PolarHBondContact O-N 3.28Å; Q243-V245 VanDerWaalsContact O-N 3.11Å; V245-G248 PolarHBondContact O-N 3.11Å; V245-Y249 WeakPolarHBondContact O-CB 3.46Å; V245-Y249 PolarHBondContact O-N 3.45Å
246A92.1Very high92Very high9 Ų943.5 Ų43.57%0.07423%0.23CC..Hα-helixtrans-66.2-40176.100000111.7Y182 Q243 Q244 Y249 F250Y182-A246 HydrophobicContact CE1-CB 4.48Å; Y182-A246 HydrophobicContact CE2-CB 4.38Å; Y182-A246 WeakPolarHBondContact OH-CB 3.37Å; Q243-A246 WeakPolarHBondContact O-CB 3.1Å; Q243-A246 PolarHBondContact O-N 3.29Å; Q244-A246 VanDerWaalsContact C-N 3.34Å; Q244-A246 PolarHBondContact O-N 3.47Å; A246-Y249 PolarHBondContact O-N 3.25Å; A246-F250 WeakPolarHBondContact O-CD2 3.46Å; A246-F250 PolarHBondContact O-N 3.26Å
247V93.3Very high92Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-63.1-48.9175.8-175.80000110.8V38 Y74 H77 I79 P242 Q243 Q244 Y249 F250 A251V38-V247 HydrophobicContact CG1-CG1 4.06Å; Y74-V247 HydrophobicContact CE2-CG2 4.06Å; H77-V247 HydrophobicContact CB-CG1 3.83Å; I79-V247 HydrophobicContact CD1-CG1 4.38Å; I79-V247 HydrophobicContact CD1-CG2 3.54Å; I79-V247 HydrophobicContact CG1-CB 4.4Å; I79-V247 HydrophobicContact CG1-CG1 3.66Å; I79-V247 HydrophobicContact CG1-CG2 3.78Å; P242-V247 HydrophobicContact CB-CG2 4.15Å; Q243-V247 PolarHBondContact O-N 2.88Å; Q244-V247 PolarHBondContact O-N 2.85Å; V247-Y249 VanDerWaalsContact C-N 3.31Å; V247-Y249 PolarHBondContact O-N 3.02Å; V247-F250 PolarHBondContact O-N 3.26Å; V247-A251 PolarHBondContact O-N 3.11Å
248G92.8Very high91.9Very high0 Ų045.5 Ų45.50%025%0.247CC..Hα-helixtrans-62.9-37.2178.500000112.7Q244 V245 F250 A251 D252Q244-G248 PolarHBondContact O-N 2.91Å; V245-G248 PolarHBondContact O-N 3.11Å; G248-F250 PolarHBondContact O-N 3.24Å; G248-A251 PolarHBondContact O-N 3.39Å; G248-D252 WeakPolarHBondContact O-CB 3.46Å; G248-D252 PolarHBondContact O-N 3.35Å
249Y93.8Very high92Very high25 Ų2542.3 Ų42.310%0.09823%0.226CC..Iπ-helixtrans-57.7-47175176.8-103.5000112.1Y182 D188 K191 V245 A246 V247 I253 S254Y182-Y249 HydrophobicContact CD1-CD1 4.12Å; Y182-Y249 AromaticContact CD1-CD2 3.68Å; Y182-Y249 HydrophobicContact CD1-CD2 3.68Å; Y182-Y249 HydrophobicContact CD1-CE2 4.41Å; Y182-Y249 AromaticContact CD1-CG 3.51Å; Y182-Y249 HydrophobicContact CD1-CG 3.51Å; Y182-Y249 HydrophobicContact CE1-CD1 4.04Å; Y182-Y249 HydrophobicContact CE1-CD2 4.42Å; Y182-Y249 AromaticContact CE1-CG 3.86Å; Y182-Y249 HydrophobicContact CE1-CG 3.86Å; D188-Y249 PolarHBondContact OD1-OH 3.19Å; D188-Y249 PolarHBondContact OD2-OH 3.45Å; D188-Y249 VanDerWaalsContact OD2-OH 3.14Å; K191-Y249 HydrophobicContact CD-CE1 4.18Å; V245-Y249 WeakPolarHBondContact O-CB 3.46Å; V245-Y249 PolarHBondContact O-N 3.45Å; A246-Y249 PolarHBondContact O-N 3.25Å; V247-Y249 VanDerWaalsContact C-N 3.31Å; V247-Y249 PolarHBondContact O-N 3.02Å; Y249-I253 HydrophobicContact CD2-CB 3.8Å; Y249-I253 HydrophobicContact CD2-CD1 4.33Å; Y249-I253 HydrophobicContact CD2-CG2 3.93Å; Y249-I253 HydrophobicContact CE2-CB 4.05Å; Y249-I253 HydrophobicContact CE2-CG2 3.71Å; Y249-I253 CarbonylContact O-C 3.59Å; Y249-I253 WeakPolarHBondContact O-CA 3.32Å; Y249-I253 PolarHBondContact O-N 3.34Å; Y249-S254 PolarHBondContact O-N 3.44Å
250F94.5Very high92.1Very high0 Ų040.1 Ų40.10%022%0.217CC..Iπ-helixtrans-76.5-27178.8-68.6-58.7000114.1V38 R151 L153 K191 L192 L195 A246 V247 G248 I259V38-F250 HydrophobicContact CG2-CB 4.39Å; R151-F250 WeakPolarHBondContact CD-O 2.99Å; R151-F250 PolarHBondContact NH1-O 3.26Å; L153-F250 HydrophobicContact CD2-CB 3.89Å; L153-F250 HydrophobicContact CD2-CG 4.34Å; K191-F250 HydrophobicContact CB-CE2 4.21Å; K191-F250 HydrophobicContact CB-CZ 3.66Å; L192-F250 VanDerWaalsContact CA-CZ 3.45Å; L192-F250 HydrophobicContact CB-CE1 4.02Å; L192-F250 HydrophobicContact CB-CE2 4.37Å; L192-F250 HydrophobicContact CB-CZ 3.67Å; L192-F250 HydrophobicContact CD1-CE1 4.38Å; L192-F250 HydrophobicContact CD1-CE2 4.4Å; L192-F250 HydrophobicContact CD1-CZ 4.27Å; L192-F250 VanDerWaalsContact N-CZ 3.28Å; L195-F250 HydrophobicContact CB-CE2 4.27Å; L195-F250 HydrophobicContact CD2-CD2 3.43Å; L195-F250 VanDerWaalsContact CD2-CD2 3.43Å; L195-F250 HydrophobicContact CD2-CE2 3.77Å; A246-F250 WeakPolarHBondContact O-CD2 3.46Å; A246-F250 PolarHBondContact O-N 3.26Å; V247-F250 PolarHBondContact O-N 3.26Å; G248-F250 PolarHBondContact O-N 3.24Å; F250-I259 HydrophobicContact CB-CD1 4.25Å; F250-I259 HydrophobicContact CD1-CD1 3.22Å; F250-I259 HydrophobicContact CE1-CD1 3.83Å; F250-I259 HydrophobicContact CG-CD1 4.06Å
251A93.1Very high92.2Very high3 Ų342.2 Ų42.23%0.02523%0.23CC..Iπ-helixtrans-70.4-47.2172.700000111.7V38 H77 R151 V247 G248V38-A251 HydrophobicContact CB-CB 4.49Å; V38-A251 HydrophobicContact CG2-CB 4.31Å; H77-A251 VanDerWaalsContact CD2-CB 3.45Å; H77-A251 WeakPolarHBondContact CD2-CB 3.43Å; R151-A251 WeakPolarHBondContact CD-O 3.44Å; V247-A251 PolarHBondContact O-N 3.11Å; G248-A251 PolarHBondContact O-N 3.39Å
252D89.6Confident92.3Very high57 Ų5741.2 Ų41.231%0.30523%0.225SC..Iπ-helixtrans-109.9-29.8-164.6-69-30000115.5K40 H77 H149 G248K40-D252 WeakPolarHBondContact CD-OD1 3.36Å; H77-D252 IonicContact CD2-OD2 3.32Å; H77-D252 IonicContact CE1-OD2 3.96Å; H77-D252 IonicContact NE2-OD1 2.81Å; H77-D252 IonicContact NE2-OD2 3.54Å; H77-D252 PolarHBondContact NE2-OD2 3.18Å; H149-D252 IonicContact ND1-OD1 3.99Å; G248-D252 WeakPolarHBondContact O-CB 3.46Å; G248-D252 PolarHBondContact O-N 3.35Å
253I89.8Confident92.2Very high88 Ų8843.1 Ų43.145%0.45123%0.234SC..Iπ-helixtrans-115.1-46.8-165.1-57-176.4000113.2I179 Y249 S255I179-I253 HydrophobicContact CB-CD1 4.35Å; I179-I253 HydrophobicContact CG2-CD1 3.52Å; I179-I253 HydrophobicContact CG2-CG1 4.3Å; Y249-I253 HydrophobicContact CD2-CB 3.8Å; Y249-I253 HydrophobicContact CD2-CD1 4.33Å; Y249-I253 HydrophobicContact CD2-CG2 3.93Å; Y249-I253 HydrophobicContact CE2-CB 4.05Å; Y249-I253 HydrophobicContact CE2-CG2 3.71Å; Y249-I253 CarbonylContact O-C 3.59Å; Y249-I253 WeakPolarHBondContact O-CA 3.32Å; Y249-I253 PolarHBondContact O-N 3.34Å; I253-S255 PolarHBondContact O-N 2.91Å
254S90Very high92.4Very high4 Ų442 Ų423%0.02823%0.228CC..  trans-62131.8-170.3178.70000111.8R151 D188 Y249 Y256R151-S254 VanDerWaalsContact CZ-O 3.24Å; R151-S254 PolarHBondContact NH1-O 2.88Å; R151-S254 PolarHBondContact NH2-O 3.39Å; D188-S254 PolarHBondContact OD2-OG 3.49Å; Y249-S254 PolarHBondContact O-N 3.44Å; S254-Y256 WeakPolarHBondContact OG-CB 3.49Å; S254-Y256 PolarHBondContact OG-N 3.39Å
255S90.1Very high92.5Very high114 Ų11442.6 Ų42.680%0.79723%0.231SC*.  trans-103.616.8173.255.40000112.4I253 E257I253-S255 PolarHBondContact O-N 2.91Å; S255-E257 PolarHBondContact O-N 3.22Å
256Y92.6Very high92.5Very high77 Ų7742 Ų4230%0.30223%0.227SC..  trans-60.4127.2-179.5-176.2-118.1000111.6D188 E189 L192 S254 G258 I259D188-Y256 HydrophobicContact CB-CD2 4.05Å; D188-Y256 HydrophobicContact CB-CG 3.95Å; E189-Y256 HydrophobicContact CB-CE2 4.13Å; L192-Y256 HydrophobicContact CD2-CD1 3.95Å; L192-Y256 HydrophobicContact CD2-CE1 3.8Å; S254-Y256 WeakPolarHBondContact OG-CB 3.49Å; S254-Y256 PolarHBondContact OG-N 3.39Å; Y256-G258 PolarHBondContact O-N 2.9Å; Y256-G258 VanDerWaalsContact O-N 3.15Å; Y256-I259 HydrophobicContact CD1-CD1 4.46Å; Y256-I259 HydrophobicContact CD1-CG1 4.21Å; Y256-I259 PolarHBondContact O-N 3.42Å
257E91.5Very high92.5Very high188 Ų18848.1 Ų48.188%0.87925%0.251SS*.THydrogen-bonded Turntrans-59.5-28.2-173.8-172178.1178.400113.2S255 I259S255-E257 PolarHBondContact O-N 3.22Å; E257-I259 PolarHBondContact O-N 3.28Å
258G90.2Very high92.2Very high41 Ų4152.9 Ų52.942%0.42328%0.276SS..THydrogen-bonded Turntrans-69.1-11.3177.100000114.7Y256Y256-G258 PolarHBondContact O-N 2.9Å; Y256-G258 VanDerWaalsContact O-N 3.15Å
259I94.3Very high91.8Very high6 Ų658.4 Ų58.43%0.03130%0.298CS..  trans-100.1112.5-179.8-60.7169.1000109.5R151 I152 L153 L192 F250 Y256 E257R151-I259 HydrophobicContact CB-CG2 3.73Å; R151-I259 HydrophobicContact CG-CG2 4.41Å; R151-I259 VanDerWaalsContact NE-CG2 3.28Å; I152-I259 WeakPolarHBondContact O-CA 3.47Å; L153-I259 HydrophobicContact CD2-CD1 4.07Å; L153-I259 HydrophobicContact CD2-CG1 4.01Å; L153-I259 HydrophobicContact CD2-CG2 4Å; L192-I259 HydrophobicContact CD2-CG1 4.35Å; F250-I259 HydrophobicContact CB-CD1 4.25Å; F250-I259 HydrophobicContact CD1-CD1 3.22Å; F250-I259 HydrophobicContact CE1-CD1 3.83Å; F250-I259 HydrophobicContact CG-CD1 4.06Å; Y256-I259 HydrophobicContact CD1-CD1 4.46Å; Y256-I259 HydrophobicContact CD1-CG1 4.21Å; Y256-I259 PolarHBondContact O-N 3.42Å; E257-I259 PolarHBondContact O-N 3.28Å
260I94.8Very high91.3Very high53 Ų5361.6 Ų61.627%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-100.6119.4-172.2-53.4171.5000109.4I152 L262 E264 Y265I152-I260 PolarHBondContact N-O 3.41Å; I152-I260 PolarHBondContact O-N 3.44Å; I152-I260 VanDerWaalsContact O-N 3.16Å; I260-L262 PolarHBondContact O-N 2.67Å; I260-E264 HydrophobicContact CG2-CB 4.28Å; I260-E264 HydrophobicContact CG2-CG 4.4Å; I260-Y265 HydrophobicContact CG2-CD2 4.4Å
261P95.3Very high90.4Very high47 Ų4766.8 Ų66.831%0.30534%0.344SS..EExtended strand (participates in β ladder)trans-55.7137.4169.6-23.734.2000111.2K263 E264 Y265P261-K263 PolarHBondContact O-N 3.15Å; P261-E264 HydrophobicContact CB-CB 4.24Å; P261-E264 WeakPolarHBondContact CD-OE2 3.38Å; P261-E264 WeakPolarHBondContact O-CA 3.44Å; P261-E264 WeakPolarHBondContact O-CB 3.41Å; P261-E264 PolarHBondContact O-N 2.82Å; P261-Y265 PolarHBondContact O-N 3.13Å
262L94.7Very high89.2Confident0 Ų072.1 Ų72.10%038%0.378CS..Hα-helixtrans-59.5-36.7-174.9-170.662.5000112.1L37 F93 I96 S150 I152 I260 E264 Y265 M266L37-L262 HydrophobicContact CD2-CD1 4.06Å; F93-L262 HydrophobicContact CB-CD1 3.98Å; F93-L262 HydrophobicContact CB-CD2 4.41Å; F93-L262 HydrophobicContact CB-CG 4.41Å; F93-L262 HydrophobicContact CD1-CD1 3.89Å; F93-L262 HydrophobicContact CD2-CD1 3.63Å; F93-L262 HydrophobicContact CE1-CD1 4.24Å; F93-L262 HydrophobicContact CE2-CD1 3.99Å; F93-L262 HydrophobicContact CG-CD1 3.58Å; F93-L262 HydrophobicContact CG-CG 4.47Å; F93-L262 HydrophobicContact CZ-CD1 4.27Å; I96-L262 HydrophobicContact CB-CD2 3.83Å; I96-L262 HydrophobicContact CD1-CD2 4.47Å; I96-L262 HydrophobicContact CG2-CD2 3.59Å; S150-L262 WeakPolarHBondContact O-CB 3.48Å; S150-L262 PolarHBondContact O-N 3.41Å; I152-L262 HydrophobicContact CD1-CD1 3.92Å; I152-L262 HydrophobicContact CG1-CD1 4.11Å; I260-L262 PolarHBondContact O-N 2.67Å; L262-E264 VanDerWaalsContact C-N 3.34Å; L262-E264 PolarHBondContact O-N 3.32Å; L262-Y265 PolarHBondContact O-N 3.04Å; L262-M266 WeakPolarHBondContact O-CG 3.29Å; L262-M266 PolarHBondContact O-N 2.92Å
263K92.5Very high88Confident41 Ų4178.5 Ų78.518%0.17840%0.399CS..Hα-helixtrans-58.4-41.9172.5-77168.7179.6173.30113.3T97 E100 E104 P261 K267T97-K263 HydrophobicContact CG2-CG 3.64Å; E100-K263 IonicContact OE1-NZ 3.88Å; E104-K263 IonicContact OE1-NZ 2.64Å; E104-K263 PolarHBondContact OE1-NZ 3.26Å; E104-K263 IonicContact OE2-NZ 3.86Å; E104-K263 PolarHBondContact OE2-NZ 3.35Å; P261-K263 PolarHBondContact O-N 3.15Å; K263-K267 WeakPolarHBondContact O-CG 3.35Å; K263-K267 PolarHBondContact O-N 2.9Å
264E93Very high86.6Confident106 Ų10683.2 Ų83.250%0.49542%0.419SS..Hα-helixtrans-69.8-44.9177.5-176.2175.3170.700110.4I260 P261 L262 M266 K267 L268I260-E264 HydrophobicContact CG2-CB 4.28Å; I260-E264 HydrophobicContact CG2-CG 4.4Å; P261-E264 HydrophobicContact CB-CB 4.24Å; P261-E264 WeakPolarHBondContact CD-OE2 3.38Å; P261-E264 WeakPolarHBondContact O-CA 3.44Å; P261-E264 WeakPolarHBondContact O-CB 3.41Å; P261-E264 PolarHBondContact O-N 2.82Å; L262-E264 VanDerWaalsContact C-N 3.34Å; L262-E264 PolarHBondContact O-N 3.32Å; E264-M266 VanDerWaalsContact C-N 3.3Å; E264-M266 PolarHBondContact O-N 3.45Å; E264-K267 WeakPolarHBondContact O-CB 3.32Å; E264-K267 PolarHBondContact O-N 2.75Å; E264-K267 VanDerWaalsContact O-N 3.11Å; E264-L268 PolarHBondContact O-N 2.84Å; E264-L268 VanDerWaalsContact O-N 3.16Å
265Y93Very high85.3Confident17 Ų1788.3 Ų88.37%0.06745%0.45CS..Hα-helixtrans-56.2-44.4174.6-171.9-89000112M90 F93 I152 I260 P261 L262 K267 L268 Y269M90-Y265 HydrophobicContact CE-CE1 3.77Å; M90-Y265 HydrophobicContact SD-CE1 4.03Å; F93-Y265 AromaticContact CD2-CD1 3.93Å; F93-Y265 HydrophobicContact CD2-CD1 3.93Å; F93-Y265 AromaticContact CD2-CE1 3.88Å; F93-Y265 HydrophobicContact CD2-CE1 3.88Å; F93-Y265 AromaticContact CE2-CD1 3.95Å; F93-Y265 HydrophobicContact CE2-CD1 3.95Å; F93-Y265 AromaticContact CE2-CE1 3.65Å; F93-Y265 HydrophobicContact CE2-CE1 3.65Å; I152-Y265 HydrophobicContact CD1-CD1 3.73Å; I152-Y265 HydrophobicContact CD1-CD2 3.35Å; I152-Y265 HydrophobicContact CD1-CE1 4.22Å; I152-Y265 HydrophobicContact CD1-CE2 3.87Å; I152-Y265 HydrophobicContact CD1-CG 3.25Å; I260-Y265 HydrophobicContact CG2-CD2 4.4Å; P261-Y265 PolarHBondContact O-N 3.13Å; L262-Y265 PolarHBondContact O-N 3.04Å; Y265-K267 PolarHBondContact O-N 2.68Å; Y265-L268 WeakPolarHBondContact O-CB 3.13Å; Y265-L268 PolarHBondContact O-N 3.14Å; Y265-Y269 HydrophobicContact CD1-CD2 4.15Å; Y265-Y269 HydrophobicContact CD1-CE2 4.06Å; Y265-Y269 HydrophobicContact CD2-CE2 4.38Å; Y265-Y269 AromaticContact CE1-CD2 3.83Å; Y265-Y269 HydrophobicContact CE1-CD2 3.83Å; Y265-Y269 AromaticContact CE1-CE2 3.46Å; Y265-Y269 HydrophobicContact CE1-CE2 3.46Å; Y265-Y269 VanDerWaalsContact CE1-CE2 3.46Å; Y265-Y269 AromaticContact CE2-CE2 3.86Å; Y265-Y269 HydrophobicContact CE2-CE2 3.86Å; Y265-Y269 HydrophobicContact CG-CE2 4.48Å; Y265-Y269 AromaticContact CZ-CE2 3.38Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.3Å; Y265-Y269 PolarHBondContact OH-OH 3.34Å
266M92.3Very high84.1Confident7 Ų786.1 Ų86.13%0.03444%0.435CS..Hα-helixtrans-62.1-40.2176.5-74.3-54.5-48.500112.8M90 F93 R94 L262 E264 L268 Y269 D270M90-M266 HydrophobicContact SD-SD 4.38Å; F93-M266 HydrophobicContact CB-CG 4.28Å; F93-M266 HydrophobicContact CB-SD 3.41Å; F93-M266 WeakPolarHBondContact CB-SD 3.47Å; F93-M266 HydrophobicContact CD2-SD 4.23Å; F93-M266 HydrophobicContact CG-SD 4.36Å; R94-M266 HydrophobicContact CG-CE 3.43Å; R94-M266 VanDerWaalsContact CG-CE 3.43Å; R94-M266 HydrophobicContact CG-SD 4.41Å; L262-M266 WeakPolarHBondContact O-CG 3.29Å; L262-M266 PolarHBondContact O-N 2.92Å; E264-M266 VanDerWaalsContact C-N 3.3Å; E264-M266 PolarHBondContact O-N 3.45Å; M266-L268 VanDerWaalsContact C-N 3.27Å; M266-L268 PolarHBondContact O-N 3.37Å; M266-Y269 PolarHBondContact O-N 3.24Å; M266-Y269 VanDerWaalsContact O-N 3.16Å; M266-D270 PolarHBondContact O-N 3.46Å
267K90.5Very high83Confident136 Ų13685.2 Ų85.259%0.59144%0.44SS*.Hα-helixtrans-61.2-35.3176.6-73.1172.1-175.5178.80112.4K263 E264 Y265 Y269 I271K263-K267 WeakPolarHBondContact O-CG 3.35Å; K263-K267 PolarHBondContact O-N 2.9Å; E264-K267 WeakPolarHBondContact O-CB 3.32Å; E264-K267 PolarHBondContact O-N 2.75Å; E264-K267 VanDerWaalsContact O-N 3.11Å; Y265-K267 PolarHBondContact O-N 2.68Å; K267-Y269 PolarHBondContact O-N 2.63Å; K267-I271 HydrophobicContact CB-CD1 4.35Å; K267-I271 WeakPolarHBondContact O-CG1 3.4Å; K267-I271 PolarHBondContact O-N 3.07Å
268L86.9Confident81.8Confident100 Ų10084 Ų8452%0.52443%0.434SS..Hα-helixtrans-60.6-30177.9-65.9172.2000112.7E264 Y265 M266E264-L268 PolarHBondContact O-N 2.84Å; E264-L268 VanDerWaalsContact O-N 3.16Å; Y265-L268 WeakPolarHBondContact O-CB 3.13Å; Y265-L268 PolarHBondContact O-N 3.14Å; M266-L268 VanDerWaalsContact C-N 3.27Å; M266-L268 PolarHBondContact O-N 3.37Å
269Y85.3Confident80.9Confident117 Ų11784.5 Ų84.546%0.45943%0.431SS..Hα-helixtrans-102.1-20.5-178-69-79.3000114.4F86 M90 Y265 M266 K267F86-Y269 HydrophobicContact CE1-CD1 4.33Å; F86-Y269 HydrophobicContact CE1-CE1 4.43Å; F86-Y269 HydrophobicContact CE2-CD1 4.44Å; F86-Y269 AromaticContact CE2-CE1 3.94Å; F86-Y269 HydrophobicContact CE2-CE1 3.94Å; F86-Y269 HydrophobicContact CE2-CE2 4.47Å; F86-Y269 AromaticContact CE2-CZ 3.95Å; F86-Y269 AromaticContact CZ-CD1 3.56Å; F86-Y269 HydrophobicContact CZ-CD1 3.56Å; F86-Y269 HydrophobicContact CZ-CD2 4.41Å; F86-Y269 AromaticContact CZ-CE1 3.44Å; F86-Y269 HydrophobicContact CZ-CE1 3.44Å; F86-Y269 VanDerWaalsContact CZ-CE1 3.44Å; F86-Y269 HydrophobicContact CZ-CE2 4.36Å; F86-Y269 HydrophobicContact CZ-CG 4.04Å; F86-Y269 AromaticContact CZ-CZ 3.87Å; M90-Y269 HydrophobicContact SD-CD2 4.3Å; M90-Y269 HydrophobicContact SD-CG 4.5Å; Y265-Y269 HydrophobicContact CD1-CD2 4.15Å; Y265-Y269 HydrophobicContact CD1-CE2 4.06Å; Y265-Y269 HydrophobicContact CD2-CE2 4.38Å; Y265-Y269 AromaticContact CE1-CD2 3.83Å; Y265-Y269 HydrophobicContact CE1-CD2 3.83Å; Y265-Y269 AromaticContact CE1-CE2 3.46Å; Y265-Y269 HydrophobicContact CE1-CE2 3.46Å; Y265-Y269 VanDerWaalsContact CE1-CE2 3.46Å; Y265-Y269 AromaticContact CE2-CE2 3.86Å; Y265-Y269 HydrophobicContact CE2-CE2 3.86Å; Y265-Y269 HydrophobicContact CG-CE2 4.48Å; Y265-Y269 AromaticContact CZ-CE2 3.38Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.3Å; Y265-Y269 PolarHBondContact OH-OH 3.34Å; M266-Y269 PolarHBondContact O-N 3.24Å; M266-Y269 VanDerWaalsContact O-N 3.16Å; K267-Y269 PolarHBondContact O-N 2.63Å
270D83Confident79.8Confident92 Ų9291 Ų9149%0.49246%0.461SS..Hα-helixtrans-85.4-18.3176.9-72.3-25000112.4R94 M266R94-D270 IonicContact CZ-OD1 2.68Å; R94-D270 IonicContact NE-OD1 3.95Å; R94-D270 IonicContact NH2-OD1 3.44Å; R94-D270 PolarHBondContact NH2-OD1 3.26Å; M266-D270 PolarHBondContact O-N 3.46Å
271I76Confident78.7Confident109 Ų10994.4 Ų94.456%0.55948%0.479SS*.SBendtrans-98.3133.6176.7-57.7170.5000109.2K267 Y273K267-I271 HydrophobicContact CB-CD1 4.35Å; K267-I271 WeakPolarHBondContact O-CG1 3.4Å; K267-I271 PolarHBondContact O-N 3.07Å; I271-Y273 PolarHBondContact O-N 3.34Å; I271-Y273 VanDerWaalsContact O-N 3.12Å
272P67.2Low77.7Confident114 Ų11495.6 Ų95.674%0.7449%0.486SS*.  trans-58.3121.117323.5-31.9000109.7E274P272-E274 PolarHBondContact O-N 3.01Å
273Y64.7Low76.8Confident191 Ų191106.4 Ų106.475%0.74953%0.527SS*.  trans-69.7114.6174.4-169.5-81.3000108.6I271 T275I271-Y273 PolarHBondContact O-N 3.34Å; I271-Y273 VanDerWaalsContact O-N 3.12Å; Y273-T275 VanDerWaalsContact C-N 3.31Å; Y273-T275 HydrophobicContact CD1-CG2 3.34Å; Y273-T275 HydrophobicContact CE1-CG2 3.53Å; Y273-T275 PolarHBondContact O-N 3.01Å
274E60.8Low76Confident187 Ų187109.1 Ų109.187%0.87455%0.549SS*.  trans-7287.7169.9-76.3-174.7177.100109P272 S276P272-E274 PolarHBondContact O-N 3.01Å; E274-S276 PolarHBondContact O-N 3.01Å
275T63.4Low74.8Confident112 Ų112109.8 Ų109.869%0.68756%0.555SS**  trans-75.8100.9165.752.50000108.1Y273Y273-T275 VanDerWaalsContact C-N 3.31Å; Y273-T275 HydrophobicContact CD1-CG2 3.34Å; Y273-T275 HydrophobicContact CE1-CG2 3.53Å; Y273-T275 PolarHBondContact O-N 3.01Å
276S64.1Low73.4Confident68 Ų68115.4 Ų115.448%0.47658%0.581SS.*  trans-76.8125.3159.358.10000108.6E274 E280E274-S276 PolarHBondContact O-N 3.01Å; S276-E280 WeakPolarHBondContact CA-OE2 3.41Å
277S69.3Low72.1Confident58 Ų58126.1 Ų126.141%0.40662%0.621SS.*  trans-64.6143.3172.3178.80000109.5S279 E280 L281S277-S279 PolarHBondContact O-N 3.08Å; S277-S279 VanDerWaalsContact O-N 3.13Å; S277-S279 PolarHBondContact OG-N 2.69Å; S277-S279 PolarHBondContact OG-OG 3.37Å; S277-E280 PolarHBondContact N-OE2 3.31Å; S277-E280 WeakPolarHBondContact O-CA 3.34Å; S277-E280 WeakPolarHBondContact O-CB 3.26Å; S277-E280 PolarHBondContact O-N 3.01Å; S277-L281 PolarHBondContact O-N 2.72Å
278Q66.9Low70.6Confident163 Ų163125 Ų12576%0.76262%0.622SS**Hα-helixtrans-55.9-32.3174.3-85.2-174.8-5.300112E280 L281 T282Q278-E280 PolarHBondContact O-N 2.72Å; Q278-L281 PolarHBondContact O-N 2.81Å; Q278-L281 VanDerWaalsContact O-N 3.11Å; Q278-T282 PolarHBondContact O-N 3.08Å; Q278-T282 PolarHBondContact O-OG1 2.81Å
279S70.5Confident69.1Low50 Ų50125.6 Ų125.635%0.3564%0.635SS.*Hα-helixtrans-65.5-21.7174.563.80000114.1S277S277-S279 PolarHBondContact O-N 3.08Å; S277-S279 VanDerWaalsContact O-N 3.13Å; S277-S279 PolarHBondContact OG-N 2.69Å; S277-S279 PolarHBondContact OG-OG 3.37Å
280E70.6Confident67.8Low143 Ų143127 Ų12767%0.66864%0.643SS**Hα-helixtrans-84.2-19.4174.4-65.7168.6168.400111.9S276 S277 Q278S276-E280 WeakPolarHBondContact CA-OE2 3.41Å; S277-E280 PolarHBondContact N-OE2 3.31Å; S277-E280 WeakPolarHBondContact O-CA 3.34Å; S277-E280 WeakPolarHBondContact O-CB 3.26Å; S277-E280 PolarHBondContact O-N 3.01Å; Q278-E280 PolarHBondContact O-N 2.72Å
281L73.6Confident66.4Low124 Ų124129.9 Ų129.965%0.64966%0.657SS**Hα-helixtrans-92.9-10.7178.9-66.7170.1000113S277 Q278S277-L281 PolarHBondContact O-N 2.72Å; Q278-L281 PolarHBondContact O-N 2.81Å; Q278-L281 VanDerWaalsContact O-N 3.11Å
282T73.6Confident65.4Low73 Ų73134.8 Ų134.845%0.44867%0.67SS.*SBendtrans-103.3137.5179.953.40000111.7Q278Q278-T282 PolarHBondContact O-N 3.08Å; Q278-T282 PolarHBondContact O-OG1 2.81Å
283W74.8Confident64.2Low226 Ų226142.4 Ų142.486%0.85669%0.691SS**SBendtrans-105.8140.7168.1-118.989.8000108.8
284P76.1Confident64.1Low98 Ų98140 Ų14064%0.63669%0.688SS**SBendcis-77.2150.7-231.1-32.8000113.6E286P284-E286 PolarHBondContact O-N 2.91Å
285I67.7Low64.3Low121 Ų121137.5 Ų137.562%0.62168%0.679SS**  trans-51122.8173.9-60.5167.3000108.8R287I285-R287 PolarHBondContact O-N 2.95Å; I285-R287 VanDerWaalsContact O-N 3.09Å
286E63.5Low64.4Low134 Ų134138.9 Ų138.963%0.62668%0.678SS**  trans-60.2115.6174.7-70.8-171176.200109.3P284 N288P284-E286 PolarHBondContact O-N 2.91Å; E286-N288 PolarHBondContact O-N 3.39Å
287R64.8Low64.4Low232 Ų232143.1 Ų143.188%0.87569%0.69SS**  trans-78.8105.1170.5-66.7-176.6-170.5168.93.2107I285 S289I285-R287 PolarHBondContact O-N 2.95Å; I285-R287 VanDerWaalsContact O-N 3.09Å; R287-S289 PolarHBondContact O-N 2.84Å
288N60.7Low64.1Low114 Ų114148.4 Ų148.461%0.6171%0.708SS**  trans-54.8104.7169.7-75.5-25.2000109.5E286 F290E286-N288 PolarHBondContact O-N 3.39Å; N288-F290 HydrophobicContact CB-CD2 3.56Å; N288-F290 HydrophobicContact CB-CE1 4.31Å; N288-F290 HydrophobicContact CB-CE2 3.19Å; N288-F290 HydrophobicContact CB-CG 4.28Å; N288-F290 HydrophobicContact CB-CZ 3.61Å; N288-F290 WeakPolarHBondContact ND2-CE2 2.92Å; N288-F290 WeakPolarHBondContact ND2-CZ 2.89Å; N288-F290 PolarHBondContact O-N 2.82Å
289S53.8Low63.9Low112 Ų112147.4 Ų147.478%0.78370%0.704SS**  trans-78.566.2171.133.10000109.1R287 I291R287-S289 PolarHBondContact O-N 2.84Å; S289-I291 PolarHBondContact O-N 2.96Å
290F59.5Low63.4Low147 Ų147154.4 Ų154.465%0.64573%0.73SS**  trans-70.5101.4164.8-57-61.8000107.9N288 Y292N288-F290 HydrophobicContact CB-CD2 3.56Å; N288-F290 HydrophobicContact CB-CE1 4.31Å; N288-F290 HydrophobicContact CB-CE2 3.19Å; N288-F290 HydrophobicContact CB-CG 4.28Å; N288-F290 HydrophobicContact CB-CZ 3.61Å; N288-F290 WeakPolarHBondContact ND2-CE2 2.92Å; N288-F290 WeakPolarHBondContact ND2-CZ 2.89Å; N288-F290 PolarHBondContact O-N 2.82Å; F290-Y292 HydrophobicContact CB-CE2 4.4Å; F290-Y292 PolarHBondContact O-N 3.12Å
291I52.2Low62.9Low151 Ų151155.2 Ų155.277%0.77473%0.734SS**  trans-74.599.7160.4-57.7176000105.6S289 K293S289-I291 PolarHBondContact O-N 2.96Å; I291-K293 PolarHBondContact O-N 3.06Å
292Y54.7Low62Low213 Ų213157.8 Ų157.884%0.83574%0.741SS**  trans-62.8119.1160.1-75.6-86.8000107.3F290F290-Y292 HydrophobicContact CB-CE2 4.4Å; F290-Y292 PolarHBondContact O-N 3.12Å
293K42.4Very low60.9Low273 Ų273165.5 Ų165.5100%1.18777%0.768SS**  trans-84.20159.3-92.4-172.5176.5179.40109.4I291I291-K293 PolarHBondContact O-N 3.06Å

Retrieved 293 of 293 residues in 144.6 ms (Link to these results)

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