A0A077ZIW7_TRITR Loading...

O-phosphoseryl-tRNA(Sec) selenium transferase

Converts O-phosphoseryl-tRNA(Sec) to selenocysteinyl-tRNA(Sec) required for selenoprotein biosynthesis.

AlphaFold DB , UniProt , Accession A0A077ZIW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low75.6Confident220 Ų22084.7 Ų84.7100%1.08446%0.459SS*.  0115.20-78.2172.8-174.700107.7F3M1-F3 PolarHBondContact O-N 2.87Å
2N45.9Very low77Confident149 Ų14985.6 Ų85.680%0.79745%0.451SS*.  trans-73.4108169.3-75.4-14.9000106.9C4N2-C4 PolarHBondContact O-N 3.33Å
3F60.9Low77.6Confident98 Ų9886.7 Ų86.743%0.4347%0.47SS..  trans-63.758.7177.1-82.3-90.7000112.2M1 S5 L6 M7 D234M1-F3 PolarHBondContact O-N 2.87Å; F3-S5 PolarHBondContact O-N 3.47Å; F3-L6 WeakPolarHBondContact O-CB 3.49Å; F3-L6 PolarHBondContact O-N 3.28Å; F3-M7 HydrophobicContact CB-CE 4.11Å; F3-D234 HydrophobicContact CE1-CB 4.28Å; F3-D234 WeakPolarHBondContact CE1-OD1 3.44Å
4C69.3Low78.1Confident101 Ų10184 Ų8468%0.68247%0.472SS*.THydrogen-bonded Turntrans4728.2-172.6-59.10000113.7N2 L6N2-C4 PolarHBondContact O-N 3.33Å; C4-L6 HydrophobicContact CB-CD1 4.11Å; C4-L6 HydrophobicContact CB-CG 4.25Å; C4-L6 PolarHBondContact O-N 3.29Å
5S78.3Confident78.9Confident96 Ų9680 Ų8067%0.67145%0.449SS*.THydrogen-bonded Turntrans58.424.9-173.1-55.30000115.6F3F3-S5 PolarHBondContact O-N 3.47Å
6L83Confident79.7Confident35 Ų3575.3 Ų75.318%0.18342%0.423CS..  trans-9397.2178.3-59.7168.6000111.1F3 C4 I29 I237F3-L6 WeakPolarHBondContact O-CB 3.49Å; F3-L6 PolarHBondContact O-N 3.28Å; C4-L6 HydrophobicContact CB-CD1 4.11Å; C4-L6 HydrophobicContact CB-CG 4.25Å; C4-L6 PolarHBondContact O-N 3.29Å; L6-I29 HydrophobicContact CD1-CD1 3.32Å; L6-I29 HydrophobicContact CD2-CD1 3.86Å; L6-I29 HydrophobicContact CG-CD1 4.25Å; L6-I237 HydrophobicContact CB-CD1 4.4Å; L6-I237 HydrophobicContact CD1-CD1 3.61Å; L6-I237 HydrophobicContact CD1-CG1 4.14Å
7M86.1Confident80.2Confident130 Ų13072.5 Ų72.564%0.6441%0.412SS*.  trans-112.9-10.5-169.8-58-62.2144.700115.2F3F3-M7 HydrophobicContact CB-CE 4.11Å
8H89.8Confident80.8Confident87 Ų8772.8 Ų72.840%0.40341%0.409SS..SBendtrans-90.2-2.2-169.2-81.6100.1000115.3A23 R230H8-A23 HydrophobicContact CB-CB 3.34Å; H8-R230 PolarHBondContact O-NH1 3.24Å
9G91.3Very high81.3Confident14 Ų1473.8 Ų73.814%0.14441%0.412CS..  trans67.2-159.9-172.300000113.3S26 A231G9-S26 WeakPolarHBondContact O-CB 3.34Å; G9-A231 CarbonylContact C-O 3.16Å; G9-A231 VanDerWaalsContact CA-O 3.23Å; G9-A231 WeakPolarHBondContact CA-O 3.47Å
10I92.7Very high81.8Confident1 Ų170.5 Ų70.51%0.00539%0.393CS..BIsolated β-bridgetrans-116.1151.3175.362.9177.3000111.3I16 N30 R230 A231 A233I10-I16 HydrophobicContact CD1-CD1 4.14Å; I10-I16 HydrophobicContact CD1-CG1 4.06Å; I10-I16 HydrophobicContact CG1-CD1 4.46Å; I10-I16 HydrophobicContact CG1-CG1 4.05Å; I10-N30 HydrophobicContact CB-CB 4.22Å; I10-N30 HydrophobicContact CG2-CB 3.72Å; I10-R230 WeakPolarHBondContact O-CA 3.34Å; I10-A231 HydrophobicContact CD1-CB 4.47Å; I10-A231 HydrophobicContact CG1-CB 4.04Å; I10-A231 PolarHBondContact N-O 2.92Å; I10-A231 PolarHBondContact O-N 3.17Å; I10-A233 HydrophobicContact CG2-CB 3.78Å
11G91.3Very high82.1Confident1 Ų171.1 Ų71.11%0.0140%0.4CS..SBendtrans81.5-174.2174.500000116.2I16 E18 Q20G11-I16 VanDerWaalsContact CA-O 3.23Å; G11-I16 WeakPolarHBondContact CA-O 3.23Å; G11-I16 PolarHBondContact N-O 3.22Å; G11-E18 WeakPolarHBondContact CA-O 3.35Å; G11-Q20 PolarHBondContact O-NE2 3.28Å; G11-Q20 VanDerWaalsContact O-NE2 3.17Å
12R91.4Very high84.4Confident95 Ų9568.1 Ų68.136%0.35838%0.381SS..  trans-120.4178.3171-71-17261.3-171.110.6109.9G14 D15 E18 M19 G229R12-G14 PolarHBondContact O-N 2.95Å; R12-D15 PolarHBondContact N-O 3.48Å; R12-E18 HydrophobicContact CB-CB 4.16Å; R12-E18 WeakPolarHBondContact CB-OE2 3.42Å; R12-E18 VanDerWaalsContact CD-CD 3.42Å; R12-E18 WeakPolarHBondContact CD-OE1 3.49Å; R12-E18 WeakPolarHBondContact CD-OE2 3.37Å; R12-E18 HydrophobicContact CG-CB 4.18Å; R12-E18 HydrophobicContact CG-CG 4.31Å; R12-E18 IonicContact CZ-OE1 2.7Å; R12-E18 IonicContact NE-OE1 3.79Å; R12-E18 IonicContact NE-OE2 3.88Å; R12-E18 IonicContact NH1-OE1 3.35Å; R12-E18 PolarHBondContact NH1-OE1 3.45Å; R12-M19 VanDerWaalsContact CD-O 3.23Å; R12-M19 WeakPolarHBondContact CD-O 3.39Å; R12-G229 CarbonylContact O-C 3.58Å
13S85.1Confident86.5Confident100 Ų10061.4 Ų61.470%0.69935%0.346SS*.SBendtrans-60.1-28.3-17748.50000114G229S13-G229 WeakPolarHBondContact O-CA 3.32Å; S13-G229 PolarHBondContact O-N 2.72Å; S13-G229 VanDerWaalsContact O-N 3.14Å
14G84.9Confident88Confident49 Ų4961.7 Ų61.751%0.50535%0.351SS..SBendtrans-104.4-16.4-176.500000115.8R12R12-G14 PolarHBondContact O-N 2.95Å
15D90Very high89.1Confident24 Ų2459 Ų5913%0.12834%0.34CS..  trans-156.2126.8-177.5-174.7-8.5000110.3R12 A17 E18 S224 R225R12-D15 PolarHBondContact N-O 3.48Å; D15-A17 PolarHBondContact O-N 3.47Å; D15-A17 WeakPolarHBondContact OD1-CB 3.48Å; D15-A17 PolarHBondContact OD1-N 3.22Å; D15-E18 HydrophobicContact CB-CB 4.04Å; D15-E18 PolarHBondContact O-N 3.04Å; D15-S224 VanDerWaalsContact OD1-CB 3.32Å; D15-S224 WeakPolarHBondContact OD1-CB 3.43Å; D15-S224 PolarHBondContact OD1-OG 3.41Å; D15-R225 HydrophobicContact CB-CG 4.11Å; D15-R225 WeakPolarHBondContact OD2-CG 3.42Å; D15-R225 IonicContact OD2-NE 2.79Å
16I91.6Very high89.8Confident4 Ų454.8 Ų54.82%0.02131%0.311CS..THydrogen-bonded Turntrans-68.4-21.4-179.9-159.1174.1000112.5I10 G11 N30 F55 S224 Y227 A231I10-I16 HydrophobicContact CD1-CD1 4.14Å; I10-I16 HydrophobicContact CD1-CG1 4.06Å; I10-I16 HydrophobicContact CG1-CD1 4.46Å; I10-I16 HydrophobicContact CG1-CG1 4.05Å; G11-I16 VanDerWaalsContact CA-O 3.23Å; G11-I16 WeakPolarHBondContact CA-O 3.23Å; G11-I16 PolarHBondContact N-O 3.22Å; I16-N30 PolarHBondContact O-ND2 2.88Å; I16-F55 HydrophobicContact CD1-CD1 3.85Å; I16-F55 HydrophobicContact CD1-CE1 4.19Å; I16-F55 HydrophobicContact CG2-CE1 3.95Å; I16-S224 WeakPolarHBondContact CG2-O 3.46Å; I16-S224 PolarHBondContact N-O 3.36Å; I16-Y227 HydrophobicContact CD1-CD1 4.08Å; I16-Y227 HydrophobicContact CD1-CD2 4.24Å; I16-Y227 HydrophobicContact CD1-CE1 4.47Å; I16-Y227 HydrophobicContact CD1-CG 3.96Å; I16-A231 HydrophobicContact CD1-CB 3.62Å; I16-A231 HydrophobicContact CG1-CB 4.14Å
17A88.8Confident90.3Very high29 Ų2953.4 Ų53.424%0.2430%0.304CS..THydrogen-bonded Turntrans-90.5-10.8179.300000113.5D15D15-A17 PolarHBondContact O-N 3.47Å; D15-A17 WeakPolarHBondContact OD1-CB 3.48Å; D15-A17 PolarHBondContact OD1-N 3.22Å
18E90.8Very high90.6Very high77 Ų7752.1 Ų52.136%0.3630%0.299SS..SBendtrans-72.5141.6-176-160.8-174.8167.300112G11 R12 D15 Q20G11-E18 WeakPolarHBondContact CA-O 3.35Å; R12-E18 HydrophobicContact CB-CB 4.16Å; R12-E18 WeakPolarHBondContact CB-OE2 3.42Å; R12-E18 VanDerWaalsContact CD-CD 3.42Å; R12-E18 WeakPolarHBondContact CD-OE1 3.49Å; R12-E18 WeakPolarHBondContact CD-OE2 3.37Å; R12-E18 HydrophobicContact CG-CB 4.18Å; R12-E18 HydrophobicContact CG-CG 4.31Å; R12-E18 IonicContact CZ-OE1 2.7Å; R12-E18 IonicContact NE-OE1 3.79Å; R12-E18 IonicContact NE-OE2 3.88Å; R12-E18 IonicContact NH1-OE1 3.35Å; R12-E18 PolarHBondContact NH1-OE1 3.45Å; D15-E18 HydrophobicContact CB-CB 4.04Å; D15-E18 PolarHBondContact O-N 3.04Å; E18-Q20 PolarHBondContact O-N 3.35Å
19M90.9Very high90.8Very high93 Ų9349.6 Ų49.646%0.45829%0.288SS..  trans-67.1130.2-179.7-169.5-176-65.600111R12 P21 L24R12-M19 VanDerWaalsContact CD-O 3.23Å; R12-M19 WeakPolarHBondContact CD-O 3.39Å; M19-P21 WeakPolarHBondContact O-CD 3.45Å; M19-L24 HydrophobicContact CG-CD2 3.98Å; M19-L24 HydrophobicContact SD-CD2 3.62Å
20Q90.2Very high91Very high7 Ų749.3 Ų49.33%0.03328%0.284CS..  trans-89.3110.5178.4178.949.6-125.700110.8G11 E18 K22 A23 L24 S27 R230G11-Q20 PolarHBondContact O-NE2 3.28Å; G11-Q20 VanDerWaalsContact O-NE2 3.17Å; E18-Q20 PolarHBondContact O-N 3.35Å; Q20-K22 HydrophobicContact CG-CB 4.41Å; Q20-K22 PolarHBondContact O-N 2.92Å; Q20-K22 VanDerWaalsContact O-N 3.17Å; Q20-A23 HydrophobicContact CB-CB 4.07Å; Q20-A23 HydrophobicContact CG-CB 3.59Å; Q20-A23 CarbonylContact O-C 3.59Å; Q20-A23 PolarHBondContact O-N 3.26Å; Q20-L24 PolarHBondContact O-N 3.44Å; Q20-S27 WeakPolarHBondContact CB-OG 3.5Å; Q20-S27 PolarHBondContact N-OG 2.96Å; Q20-R230 VanDerWaalsContact OE1-NH2 3.08Å
21P88.8Confident91.1Very high83 Ų8354.3 Ų54.354%0.53931%0.306SS..THydrogen-bonded Turntrans-61-29.8-178.523.2-34.2000113M19 A23M19-P21 WeakPolarHBondContact O-CD 3.45Å; P21-A23 VanDerWaalsContact C-N 3.28Å; P21-A23 PolarHBondContact O-N 2.82Å
22K90.8Very high91.4Very high158 Ų15858.2 Ų58.269%0.68733%0.326SS*.THydrogen-bonded Turntrans-80.6-5.7176.6-58.7-176.8179.4-176.10113.9Q20Q20-K22 HydrophobicContact CG-CB 4.41Å; Q20-K22 PolarHBondContact O-N 2.92Å; Q20-K22 VanDerWaalsContact O-N 3.17Å
23A90.8Very high91.6Very high8 Ų853.7 Ų53.77%0.06631%0.309CS..  trans-152.257.9-171.700000110.9H8 Q20 P21 G25 S26 S27H8-A23 HydrophobicContact CB-CB 3.34Å; Q20-A23 HydrophobicContact CB-CB 4.07Å; Q20-A23 HydrophobicContact CG-CB 3.59Å; Q20-A23 CarbonylContact O-C 3.59Å; Q20-A23 PolarHBondContact O-N 3.26Å; P21-A23 VanDerWaalsContact C-N 3.28Å; P21-A23 PolarHBondContact O-N 2.82Å; A23-G25 PolarHBondContact O-N 2.71Å; A23-S26 PolarHBondContact O-N 3.23Å; A23-S27 WeakPolarHBondContact O-CB 3.45Å; A23-S27 PolarHBondContact O-N 3.06Å; A23-S27 PolarHBondContact O-OG 2.85Å
24L91.7Very high92.2Very high104 Ų10449.8 Ų49.855%0.54528%0.28SS..Hα-helixtrans-58.2-38.3178.9-64.4176.7000111.6M19 Q20 S27 L28M19-L24 HydrophobicContact CG-CD2 3.98Å; M19-L24 HydrophobicContact SD-CD2 3.62Å; Q20-L24 PolarHBondContact O-N 3.44Å; L24-S27 WeakPolarHBondContact O-CB 3.23Å; L24-S27 PolarHBondContact O-N 2.7Å; L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 PolarHBondContact O-N 2.89Å
25G92.4Very high92.8Very high44 Ų4451 Ų5145%0.45428%0.281SS..Hα-helixtrans-60.6-50.9174.700000113.1A23 S27 L28 I29A23-G25 PolarHBondContact O-N 2.71Å; G25-S27 VanDerWaalsContact C-N 3.26Å; G25-S27 PolarHBondContact O-N 2.84Å; G25-L28 PolarHBondContact O-N 3.49Å; G25-I29 WeakPolarHBondContact O-CG1 3.44Å; G25-I29 PolarHBondContact O-N 2.87Å
26S92.8Very high93.2Very high7 Ų752 Ų525%0.04929%0.286CS..Hα-helixtrans-62-34.7175.5-53.20000112.2G9 A23 I29 N30G9-S26 WeakPolarHBondContact O-CB 3.34Å; A23-S26 PolarHBondContact O-N 3.23Å; S26-I29 PolarHBondContact O-N 3.17Å; S26-N30 PolarHBondContact O-N 3.44Å
27S93.1Very high93.5Very high7 Ų751.9 Ų51.95%0.04929%0.285CS..Hα-helixtrans-67.1-42.2176.3-54.60000111.9Q20 A23 L24 G25 N30 K31Q20-S27 WeakPolarHBondContact CB-OG 3.5Å; Q20-S27 PolarHBondContact N-OG 2.96Å; A23-S27 WeakPolarHBondContact O-CB 3.45Å; A23-S27 PolarHBondContact O-N 3.06Å; A23-S27 PolarHBondContact O-OG 2.85Å; L24-S27 WeakPolarHBondContact O-CB 3.23Å; L24-S27 PolarHBondContact O-N 2.7Å; G25-S27 VanDerWaalsContact C-N 3.26Å; G25-S27 PolarHBondContact O-N 2.84Å; S27-N30 PolarHBondContact O-N 3.32Å; S27-K31 WeakPolarHBondContact O-CG 3.39Å; S27-K31 PolarHBondContact O-N 2.9Å
28L93.7Very high94Very high102 Ų10252.1 Ų52.153%0.53428%0.282SS..Hα-helixtrans-64.6-44.1175.6-179.660.3000110.9L24 G25 N30 K31 L32L24-L28 WeakPolarHBondContact O-CB 3.26Å; L24-L28 PolarHBondContact O-N 2.89Å; G25-L28 PolarHBondContact O-N 3.49Å; L28-N30 PolarHBondContact O-N 3.46Å; L28-K31 PolarHBondContact O-N 2.8Å; L28-L32 HydrophobicContact CD1-CD1 4.21Å; L28-L32 HydrophobicContact CD1-CG 4.18Å; L28-L32 HydrophobicContact CG-CD1 3.99Å; L28-L32 HydrophobicContact CG-CG 4.39Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.38Å
29I93.8Very high94.3Very high34 Ų3452.3 Ų52.317%0.17428%0.283CS..Hα-helixtrans-55.5-52.1174.4-74.2170.4000110.3L6 G25 S26 K31 L32 S33 I237 L240L6-I29 HydrophobicContact CD1-CD1 3.32Å; L6-I29 HydrophobicContact CD2-CD1 3.86Å; L6-I29 HydrophobicContact CG-CD1 4.25Å; G25-I29 WeakPolarHBondContact O-CG1 3.44Å; G25-I29 PolarHBondContact O-N 2.87Å; S26-I29 PolarHBondContact O-N 3.17Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3.45Å; I29-L32 PolarHBondContact O-N 3.17Å; I29-S33 WeakPolarHBondContact O-CB 3.49Å; I29-S33 PolarHBondContact O-N 3.32Å; I29-S33 PolarHBondContact O-OG 2.98Å; I29-I237 HydrophobicContact CG2-CG1 3.99Å; I29-L240 HydrophobicContact CB-CD2 4.4Å; I29-L240 HydrophobicContact CG1-CD2 4.25Å; I29-L240 HydrophobicContact CG2-CD2 3.88Å
30N94.6Very high94.7Very high9 Ų948 Ų485%0.04826%0.262CS..Hα-helixtrans-57.6-43.3178.5-172.834.7000112.4I10 I16 S26 S27 L28 S33 N34I10-N30 HydrophobicContact CB-CB 4.22Å; I10-N30 HydrophobicContact CG2-CB 3.72Å; I16-N30 PolarHBondContact O-ND2 2.88Å; S26-N30 PolarHBondContact O-N 3.44Å; S27-N30 PolarHBondContact O-N 3.32Å; L28-N30 PolarHBondContact O-N 3.46Å; N30-S33 PolarHBondContact O-N 3.11Å; N30-N34 WeakPolarHBondContact O-CB 3.46Å; N30-N34 PolarHBondContact O-N 3.32Å; N30-N34 PolarHBondContact O-ND2 3.17Å; N30-N34 PolarHBondContact OD1-ND2 2.98Å; N30-N34 VanDerWaalsContact OD1-ND2 3.11Å
31K95.5Very high95.1Very high106 Ų10647.7 Ų47.746%0.46126%0.261SS..Hα-helixtrans-62.6-45.2177-75.7-174.2176.9-168.30112S27 L28 I29 N34 S35S27-K31 WeakPolarHBondContact O-CG 3.39Å; S27-K31 PolarHBondContact O-N 2.9Å; L28-K31 PolarHBondContact O-N 2.8Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3.45Å; K31-N34 PolarHBondContact O-N 2.68Å; K31-S35 WeakPolarHBondContact O-CB 3.39Å; K31-S35 PolarHBondContact O-N 2.91Å
32L96.6Very high95.6Very high83 Ų8346.9 Ų46.944%0.43525%0.25SC..Hα-helixtrans-64.7-44.5177.2-70173.6000111.5L28 I29 N34 S35 L36 L240L28-L32 HydrophobicContact CD1-CD1 4.21Å; L28-L32 HydrophobicContact CD1-CG 4.18Å; L28-L32 HydrophobicContact CG-CD1 3.99Å; L28-L32 HydrophobicContact CG-CG 4.39Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.38Å; I29-L32 PolarHBondContact O-N 3.17Å; L32-N34 PolarHBondContact O-N 3.4Å; L32-S35 PolarHBondContact O-N 2.73Å; L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 2.92Å; L32-L240 HydrophobicContact CB-CD1 4.28Å
33S97.2Very high95.9Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-58-46.8175.9-55.60000111.4I29 N30 S35 L36 A37 I54 S236 L240I29-S33 WeakPolarHBondContact O-CB 3.49Å; I29-S33 PolarHBondContact O-N 3.32Å; I29-S33 PolarHBondContact O-OG 2.98Å; N30-S33 PolarHBondContact O-N 3.11Å; S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 2.87Å; S33-L36 PolarHBondContact O-N 2.93Å; S33-A37 VanDerWaalsContact O-CB 3.23Å; S33-A37 WeakPolarHBondContact O-CB 3.48Å; S33-A37 PolarHBondContact O-N 3.17Å; S33-I54 VanDerWaalsContact CB-CD1 3.48Å; S33-S236 WeakPolarHBondContact CB-O 3.47Å; S33-S236 PolarHBondContact OG-O 3.46Å; S33-L240 WeakPolarHBondContact OG-CB 3.48Å
34N97.3Very high96.2Very high18 Ų1841.9 Ų41.910%0.09623%0.229CC..Hα-helixtrans-63.3-39.2176.6-73.1-50.3000112.1N30 K31 L32 A37 L38 C52 R53 I54N30-N34 WeakPolarHBondContact O-CB 3.46Å; N30-N34 PolarHBondContact O-N 3.32Å; N30-N34 PolarHBondContact O-ND2 3.17Å; N30-N34 PolarHBondContact OD1-ND2 2.98Å; N30-N34 VanDerWaalsContact OD1-ND2 3.11Å; K31-N34 PolarHBondContact O-N 2.68Å; L32-N34 PolarHBondContact O-N 3.4Å; N34-A37 PolarHBondContact O-N 3.18Å; N34-L38 WeakPolarHBondContact O-CB 3.43Å; N34-L38 PolarHBondContact O-N 2.93Å; N34-C52 PolarHBondContact O-SG 2.98Å; N34-C52 VanDerWaalsContact O-SG 3.34Å; N34-R53 WeakPolarHBondContact OD1-CA 3.42Å; N34-I54 WeakPolarHBondContact OD1-CG1 3.23Å; N34-I54 PolarHBondContact OD1-N 3.03Å
35S97.8Very high96.5Very high74 Ų7437.5 Ų37.552%0.51721%0.21SC..Hα-helixtrans-65.9-43.8177.1179.90000112.3K31 L32 S33 L38 H39K31-S35 WeakPolarHBondContact O-CB 3.39Å; K31-S35 PolarHBondContact O-N 2.91Å; L32-S35 PolarHBondContact O-N 2.73Å; S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 2.87Å; S35-L38 PolarHBondContact O-N 3Å; S35-H39 PolarHBondContact O-N 3.46Å
36L98.3Very high96.8Very high46 Ų4635.4 Ų35.424%0.24119%0.188CC..Hα-helixtrans-69.6-36.1176.4-68.1179.4000112.3L32 S33 H39 A40 L240 L243 L244L32-L36 WeakPolarHBondContact O-CG 3.23Å; L32-L36 PolarHBondContact O-N 2.92Å; S33-L36 PolarHBondContact O-N 2.93Å; L36-H39 PolarHBondContact O-N 3.05Å; L36-A40 WeakPolarHBondContact O-CB 3.49Å; L36-A40 PolarHBondContact O-N 3.49Å; L36-L240 HydrophobicContact CD1-CD1 3.5Å; L36-L240 VanDerWaalsContact CD1-CD1 3.5Å; L36-L243 HydrophobicContact CB-CB 4.48Å; L36-L243 HydrophobicContact CB-CD1 3.73Å; L36-L243 HydrophobicContact CD1-CB 4.35Å; L36-L244 HydrophobicContact CD1-CD2 3.87Å; L36-L244 HydrophobicContact CD1-CG 4.02Å
37A98.3Very high97Very high0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-62-43.3173.100000111.5S33 N34 A40 I41 I54 I211 L239S33-A37 VanDerWaalsContact O-CB 3.23Å; S33-A37 WeakPolarHBondContact O-CB 3.48Å; S33-A37 PolarHBondContact O-N 3.17Å; N34-A37 PolarHBondContact O-N 3.18Å; A37-A40 PolarHBondContact O-N 3.02Å; A37-I41 VanDerWaalsContact O-CG1 3.32Å; A37-I41 WeakPolarHBondContact O-CG1 3.23Å; A37-I41 PolarHBondContact O-N 3.35Å; A37-I54 HydrophobicContact CB-CD1 4.17Å; A37-I54 HydrophobicContact CB-CG1 4.25Å; A37-I211 HydrophobicContact CB-CD1 4.06Å; A37-I211 HydrophobicContact CB-CG2 4.47Å; A37-L239 HydrophobicContact CB-CD2 3.98Å
38L98.5Very high97.2Very high35 Ų3545.4 Ų45.418%0.18323%0.229CC..Hα-helixtrans-61-46.6174.7179.560.9000111N34 S35 A40 I41 Q42 C49 C52N34-L38 WeakPolarHBondContact O-CB 3.43Å; N34-L38 PolarHBondContact O-N 2.93Å; S35-L38 PolarHBondContact O-N 3Å; L38-A40 VanDerWaalsContact C-N 3.32Å; L38-A40 PolarHBondContact O-N 3.17Å; L38-I41 WeakPolarHBondContact O-CB 3.44Å; L38-I41 PolarHBondContact O-N 3.01Å; L38-Q42 WeakPolarHBondContact O-CG 3.22Å; L38-Q42 PolarHBondContact O-N 3.4Å; L38-C49 HydrophobicContact CD1-CB 4.23Å; L38-C52 PolarHBondContact N-SG 3.21Å
39H98.3Very high97.4Very high81 Ų8140.6 Ų40.638%0.37520%0.204SC..Hα-helixtrans-60.9-41.8176.8-175.9-146.7000111.5S35 L36 I41 Q42 L43S35-H39 PolarHBondContact O-N 3.46Å; L36-H39 PolarHBondContact O-N 3.05Å; H39-I41 PolarHBondContact O-N 2.85Å; H39-Q42 PolarHBondContact O-N 3.33Å; H39-L43 WeakPolarHBondContact O-CB 3.43Å; H39-L43 VanDerWaalsContact O-CG 3.23Å; H39-L43 WeakPolarHBondContact O-CG 3.39Å; H39-L43 PolarHBondContact O-N 2.89Å
40A98.4Very high97.6Very high3 Ų342.9 Ų42.93%0.02522%0.219CC..Hα-helixtrans-63.2-39.517600000112.8L36 A37 L38 L43 S44 F203 L243 Y251L36-A40 WeakPolarHBondContact O-CB 3.49Å; L36-A40 PolarHBondContact O-N 3.49Å; A37-A40 PolarHBondContact O-N 3.02Å; L38-A40 VanDerWaalsContact C-N 3.32Å; L38-A40 PolarHBondContact O-N 3.17Å; A40-L43 PolarHBondContact O-N 3.46Å; A40-S44 WeakPolarHBondContact O-CB 3.4Å; A40-S44 PolarHBondContact O-N 3.5Å; A40-S44 PolarHBondContact O-OG 2.93Å; A40-F203 HydrophobicContact CB-CE1 3.86Å; A40-F203 HydrophobicContact CB-CZ 4.12Å; A40-L243 HydrophobicContact CB-CD1 4.49Å; A40-L243 HydrophobicContact CB-CD2 4.17Å; A40-Y251 HydrophobicContact CB-CE1 4.25Å
41I98.6Very high97.7Very high0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-60.1-46.5173.5-73165.6000111.1A37 L38 H39 S44 G45 I46 C49 C52 L174 F195 Q197 I211A37-I41 VanDerWaalsContact O-CG1 3.32Å; A37-I41 WeakPolarHBondContact O-CG1 3.23Å; A37-I41 PolarHBondContact O-N 3.35Å; L38-I41 WeakPolarHBondContact O-CB 3.44Å; L38-I41 PolarHBondContact O-N 3.01Å; H39-I41 PolarHBondContact O-N 2.85Å; I41-S44 WeakPolarHBondContact O-CB 3.44Å; I41-S44 PolarHBondContact O-N 3.41Å; I41-G45 PolarHBondContact O-N 3.46Å; I41-I46 HydrophobicContact CG2-CB 3.82Å; I41-I46 HydrophobicContact CG2-CD1 4.22Å; I41-I46 HydrophobicContact CG2-CG1 4.44Å; I41-I46 HydrophobicContact CG2-CG2 4.46Å; I41-I46 PolarHBondContact O-N 2.97Å; I41-C49 HydrophobicContact CG2-CB 3.88Å; I41-C52 HydrophobicContact CD1-CB 3.79Å; I41-L174 HydrophobicContact CG1-CD1 3.97Å; I41-L174 HydrophobicContact CG1-CD2 4.14Å; I41-F195 HydrophobicContact CD1-CE2 4.39Å; I41-F195 HydrophobicContact CG2-CE2 4.07Å; I41-F195 HydrophobicContact CG2-CZ 3.89Å; I41-Q197 VanDerWaalsContact CD1-NE2 3.32Å; I41-I211 HydrophobicContact CD1-CG2 3.85Å
42Q98.4Very high97.9Very high65 Ų6537.8 Ų37.830%0.30420%0.198SC..Hα-helixtrans-66.8-40.8179.9-69.4170.6-16.600111.5L38 H39 S44 G45 C49L38-Q42 WeakPolarHBondContact O-CG 3.22Å; L38-Q42 PolarHBondContact O-N 3.4Å; H39-Q42 PolarHBondContact O-N 3.33Å; Q42-S44 VanDerWaalsContact C-N 3.31Å; Q42-S44 PolarHBondContact O-N 2.97Å; Q42-G45 PolarHBondContact O-N 2.92Å; Q42-C49 PolarHBondContact NE2-O 3.01Å
43L97.5Very high97.9Very high57 Ų5735.9 Ų35.930%0.29819%0.185SC..Hα-helixtrans-62-37.1173.4-74.1171.8000112.4H39 A40 G45 T248 L252H39-L43 WeakPolarHBondContact O-CB 3.43Å; H39-L43 VanDerWaalsContact O-CG 3.23Å; H39-L43 WeakPolarHBondContact O-CG 3.39Å; H39-L43 PolarHBondContact O-N 2.89Å; A40-L43 PolarHBondContact O-N 3.46Å; L43-G45 PolarHBondContact O-N 2.86Å; L43-T248 HydrophobicContact CD1-CG2 3.86Å; L43-T248 HydrophobicContact CD2-CG2 4.03Å; L43-L252 HydrophobicContact CB-CD2 4.41Å
44S97.5Very high97.9Very high4 Ų436 Ų363%0.02819%0.186CC..Hα-helixtrans-68.1-20.4176.1-800000113.6A40 I41 Q42 L174 C180 Y251A40-S44 WeakPolarHBondContact O-CB 3.4Å; A40-S44 PolarHBondContact O-N 3.5Å; A40-S44 PolarHBondContact O-OG 2.93Å; I41-S44 WeakPolarHBondContact O-CB 3.44Å; I41-S44 PolarHBondContact O-N 3.41Å; Q42-S44 VanDerWaalsContact C-N 3.31Å; Q42-S44 PolarHBondContact O-N 2.97Å; S44-L174 VanDerWaalsContact CB-O 3.28Å; S44-L174 WeakPolarHBondContact CB-O 3.24Å; S44-L174 PolarHBondContact OG-O 2.93Å; S44-C180 WeakPolarHBondContact O-CB 3.35Å; S44-Y251 PolarHBondContact OG-OH 3.01Å
45G97.6Very high97.9Very high13 Ų1335.1 Ų35.113%0.13418%0.181CC..THydrogen-bonded Turntrans132.8-8.7172.200000116I41 Q42 L43 R47I41-G45 PolarHBondContact O-N 3.46Å; Q42-G45 PolarHBondContact O-N 2.92Å; L43-G45 PolarHBondContact O-N 2.86Å; G45-R47 VanDerWaalsContact C-N 3.32Å; G45-R47 PolarHBondContact O-N 3.34Å; G45-R47 VanDerWaalsContact O-N 3.16Å
46I98.5Very high97.9Very high0 Ų032.6 Ų32.60%016%0.163CC..  trans-9170.6178.7-46.9172.2000108.9I41 S48 C49 L174 C180 I183 E184 F195 F215I41-I46 HydrophobicContact CG2-CB 3.82Å; I41-I46 HydrophobicContact CG2-CD1 4.22Å; I41-I46 HydrophobicContact CG2-CG1 4.44Å; I41-I46 HydrophobicContact CG2-CG2 4.46Å; I41-I46 PolarHBondContact O-N 2.97Å; I46-S48 VanDerWaalsContact C-N 3.33Å; I46-S48 PolarHBondContact O-N 2.71Å; I46-C49 HydrophobicContact CG2-CB 3.99Å; I46-C49 WeakPolarHBondContact O-CB 3.45Å; I46-C49 PolarHBondContact O-N 2.98Å; I46-L174 HydrophobicContact CD1-CD2 4.16Å; I46-C180 HydrophobicContact CD1-CB 4.49Å; I46-C180 HydrophobicContact CG1-CB 3.82Å; I46-C180 WeakPolarHBondContact CG1-O 3.47Å; I46-I183 HydrophobicContact CD1-CB 4.07Å; I46-I183 HydrophobicContact CD1-CD1 4.02Å; I46-I183 HydrophobicContact CD1-CG2 3.8Å; I46-I183 HydrophobicContact CG1-CB 4.26Å; I46-I183 HydrophobicContact CG1-CG2 4.19Å; I46-I183 HydrophobicContact CG2-CG2 4.1Å; I46-E184 VanDerWaalsContact C-OE2 3.23Å; I46-E184 WeakPolarHBondContact CA-OE2 3.34Å; I46-F195 HydrophobicContact CD1-CD2 4.11Å; I46-F195 HydrophobicContact CD1-CE2 3.58Å; I46-F195 HydrophobicContact CD1-CZ 3.91Å; I46-F195 HydrophobicContact CG2-CE1 4.32Å; I46-F195 HydrophobicContact CG2-CZ 4.05Å; I46-F215 HydrophobicContact CG2-CE1 3.6Å; I46-F215 HydrophobicContact CG2-CZ 3.74Å
47R97.8Very high97.9Very high190 Ų19031.8 Ų31.872%0.71716%0.16SC*.THydrogen-bonded Turntrans-68-31.4-171.3-62.4179.5-173.9168.73.9112.8G45 C49 E184G45-R47 VanDerWaalsContact C-N 3.32Å; G45-R47 PolarHBondContact O-N 3.34Å; G45-R47 VanDerWaalsContact O-N 3.16Å; R47-C49 PolarHBondContact O-N 2.71Å; R47-E184 PolarHBondContact N-OE2 2.92Å
48S97.8Very high97.8Very high34 Ų3434 Ų3424%0.23818%0.178CC..THydrogen-bonded Turntrans-76.9-5.4179.669.40000113.5I46 V50 E184 S187 F215I46-S48 VanDerWaalsContact C-N 3.33Å; I46-S48 PolarHBondContact O-N 2.71Å; S48-V50 WeakPolarHBondContact O-CG1 3.29Å; S48-V50 PolarHBondContact O-N 3.5Å; S48-V50 VanDerWaalsContact O-N 3.14Å; S48-E184 WeakPolarHBondContact CB-OE1 3.49Å; S48-E184 PolarHBondContact N-OE1 3.1Å; S48-E184 PolarHBondContact N-OE2 3.44Å; S48-E184 PolarHBondContact OG-OE2 2.89Å; S48-S187 PolarHBondContact OG-OG 3.42Å; S48-F215 WeakPolarHBondContact OG-CD1 3.33Å; S48-F215 WeakPolarHBondContact OG-CE1 3.41Å
49C98.3Very high97.8Very high1 Ų133 Ų331%0.00717%0.174CC..  trans-61.7119.1176.6-1750000110.2L38 I41 Q42 I46 R47 G51 F195 A214 F215L38-C49 HydrophobicContact CD1-CB 4.23Å; I41-C49 HydrophobicContact CG2-CB 3.88Å; Q42-C49 PolarHBondContact NE2-O 3.01Å; I46-C49 HydrophobicContact CG2-CB 3.99Å; I46-C49 WeakPolarHBondContact O-CB 3.45Å; I46-C49 PolarHBondContact O-N 2.98Å; R47-C49 PolarHBondContact O-N 2.71Å; C49-G51 PolarHBondContact SG-O 3.26Å; C49-G51 VanDerWaalsContact SG-O 3.37Å; C49-F195 HydrophobicContact CB-CE1 4.44Å; C49-F195 HydrophobicContact CB-CZ 4.1Å; C49-A214 PolarHBondContact SG-O 2.85Å; C49-F215 HydrophobicContact CB-CE1 4.46Å
50V97.4Very high97.7Very high81 Ų8129.4 Ų29.449%0.49116%0.159SC..  trans-89.9-21.1-175-55.60000112.6S48 A214S48-V50 WeakPolarHBondContact O-CG1 3.29Å; S48-V50 PolarHBondContact O-N 3.5Å; S48-V50 VanDerWaalsContact O-N 3.14Å; V50-A214 PolarHBondContact N-O 3.32Å; V50-A214 VanDerWaalsContact N-O 3.15Å
51G97.1Very high97.7Very high6 Ų633.3 Ų33.36%0.06218%0.177CC..EExtended strand (participates in β ladder)trans-170.3154.5-178.400000113.1C49 A214C49-G51 PolarHBondContact SG-O 3.26Å; C49-G51 VanDerWaalsContact SG-O 3.37Å; G51-A214 PolarHBondContact O-N 3.5Å
52C98.1Very high97.7Very high2 Ų233.3 Ų33.31%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-140.7163.117272.10000112.3N34 L38 I41 I211 V212N34-C52 PolarHBondContact O-SG 2.98Å; N34-C52 VanDerWaalsContact O-SG 3.34Å; L38-C52 PolarHBondContact N-SG 3.21Å; I41-C52 HydrophobicContact CD1-CB 3.79Å; C52-I211 HydrophobicContact CB-CG2 3.69Å; C52-V212 CarbonylContact C-O 3.44Å; C52-V212 WeakPolarHBondContact CA-O 3.43Å; C52-V212 VanDerWaalsContact CB-O 3.29Å; C52-V212 WeakPolarHBondContact CB-O 3.35Å
53R97.3Very high97.6Very high43 Ų4330.3 Ų30.316%0.16216%0.163CC..EExtended strand (participates in β ladder)trans-133.4131.2173-62.9-67.4177-95.40109.9N34 F55 I211 V212 I220 D221N34-R53 WeakPolarHBondContact OD1-CA 3.42Å; R53-F55 HydrophobicContact CB-CD2 4.26Å; R53-F55 HydrophobicContact CB-CE2 3.66Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; R53-I211 WeakPolarHBondContact O-CA 3.44Å; R53-V212 PolarHBondContact N-O 2.94Å; R53-V212 PolarHBondContact O-N 3Å; R53-I220 HydrophobicContact CB-CD1 4.35Å; R53-I220 HydrophobicContact CG-CD1 3.82Å; R53-I220 HydrophobicContact CG-CG1 3.86Å; R53-D221 IonicContact CZ-OD1 3.53Å; R53-D221 IonicContact NH2-OD1 3.07Å; R53-D221 PolarHBondContact NH2-OD1 3.4Å
54I97.8Very high97.7Very high2 Ų227.7 Ų27.71%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-83.1122.5169.1-58.6156.7000107.7S33 N34 A37 A210 I211 L239S33-I54 VanDerWaalsContact CB-CD1 3.48Å; N34-I54 WeakPolarHBondContact OD1-CG1 3.23Å; N34-I54 PolarHBondContact OD1-N 3.03Å; A37-I54 HydrophobicContact CB-CD1 4.17Å; A37-I54 HydrophobicContact CB-CG1 4.25Å; I54-A210 WeakPolarHBondContact CA-O 3.34Å; I54-I211 HydrophobicContact CG1-CG1 4.11Å; I54-L239 HydrophobicContact CD1-CD2 3.75Å; I54-L239 HydrophobicContact CG1-CD2 4.12Å
55F97.7Very high97.6Very high0 Ų028.4 Ų28.40%015%0.154CC..EExtended strand (participates in β ladder)trans-107.6135.6169.8-68.2-87000109.2I16 R53 V57 L65 A210 V212 I223 Y227I16-F55 HydrophobicContact CD1-CD1 3.85Å; I16-F55 HydrophobicContact CD1-CE1 4.19Å; I16-F55 HydrophobicContact CG2-CE1 3.95Å; R53-F55 HydrophobicContact CB-CD2 4.26Å; R53-F55 HydrophobicContact CB-CE2 3.66Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; F55-V57 HydrophobicContact CB-CG2 3.95Å; F55-V57 PolarHBondContact O-N 2.8Å; F55-L65 HydrophobicContact CD1-CD1 3.83Å; F55-L65 HydrophobicContact CE1-CD1 4.22Å; F55-L65 HydrophobicContact CG-CD1 4.16Å; F55-A210 PolarHBondContact N-O 3.06Å; F55-A210 PolarHBondContact O-N 3.32Å; F55-V212 HydrophobicContact CD2-CB 4.27Å; F55-V212 HydrophobicContact CD2-CG2 3.66Å; F55-V212 HydrophobicContact CE2-CB 4.01Å; F55-V212 HydrophobicContact CE2-CG2 3.73Å; F55-I223 HydrophobicContact CE2-CG1 4.21Å; F55-I223 HydrophobicContact CZ-CG1 4Å; F55-Y227 AromaticContact CD1-CD2 3.91Å; F55-Y227 HydrophobicContact CD1-CD2 3.91Å; F55-Y227 HydrophobicContact CD1-CG 4.48Å; F55-Y227 HydrophobicContact CE1-CD2 4.33Å
56P97Very high97.7Very high22 Ų2227.8 Ų27.814%0.14315%0.147CC..SBendtrans-8253.617735.7-36.2000110.8G208 A231 S232 P235P56-G208 CarbonylContact C-O 3.46Å; P56-A231 HydrophobicContact CG-CB 3.31Å; P56-S232 WeakPolarHBondContact CB-O 3.4Å; P56-S232 WeakPolarHBondContact CG-O 3.44Å; P56-P235 HydrophobicContact CB-CB 4.47Å; P56-P235 HydrophobicContact CB-CG 3.69Å
57V97.4Very high97.6Very high28 Ų2827.9 Ų27.917%0.1715%0.148CC..SBendtrans-137.9152.9171.3-58.90000108.8F55 M61 A62 L65 G208 G209 A210 Y227F55-V57 HydrophobicContact CB-CG2 3.95Å; F55-V57 PolarHBondContact O-N 2.8Å; V57-M61 HydrophobicContact CB-CB 3.68Å; V57-M61 HydrophobicContact CG1-CB 4.32Å; V57-M61 HydrophobicContact CG2-CB 3.7Å; V57-A62 HydrophobicContact CG2-CB 4.08Å; V57-L65 HydrophobicContact CG2-CD1 4.14Å; V57-G208 CarbonylContact C-O 3.2Å; V57-G208 VanDerWaalsContact CA-O 3.26Å; V57-G208 WeakPolarHBondContact CA-O 3.45Å; V57-G208 PolarHBondContact N-O 3.41Å; V57-G209 CarbonylContact O-C 3.59Å; V57-A210 VanDerWaalsContact O-CB 3.26Å; V57-A210 WeakPolarHBondContact O-CB 3.49Å; V57-A210 PolarHBondContact O-N 2.71Å; V57-A210 VanDerWaalsContact O-N 3.11Å; V57-Y227 HydrophobicContact CG1-CE2 4.31Å
58A97.4Very high97.6Very high46 Ų4621.6 Ų21.638%0.3813%0.131SC..  trans-64.4161.5173.700000111.8G60 M61 A62A58-G60 PolarHBondContact O-N 2.89Å; A58-M61 PolarHBondContact O-N 3.33Å; A58-A62 PolarHBondContact O-N 2.87Å; A58-A62 VanDerWaalsContact O-N 3.09Å
59T97.8Very high97.6Very high15 Ų1520.8 Ų20.89%0.09212%0.123CC..Hα-helixtrans-48.3-38.5-175.7-46.70000113.9A62 L63 A171 V196 S198T59-A62 PolarHBondContact O-N 3.42Å; T59-L63 HydrophobicContact CG2-CD1 4.38Å; T59-L63 WeakPolarHBondContact O-CG 3.33Å; T59-L63 PolarHBondContact O-N 3.16Å; T59-A171 HydrophobicContact CG2-CB 4.07Å; T59-V196 HydrophobicContact CG2-CB 4.42Å; T59-V196 HydrophobicContact CG2-CG1 3.81Å; T59-S198 WeakPolarHBondContact OG1-CA 3.18Å; T59-S198 WeakPolarHBondContact OG1-CB 3.49Å
60G97.5Very high97.5Very high6 Ų620.7 Ų20.76%0.06212%0.122CC..Hα-helixtrans-59.4-48.5177.400000114.2A58 A62 L63 A64 C93A58-G60 PolarHBondContact O-N 2.89Å; G60-A62 VanDerWaalsContact C-N 3.34Å; G60-L63 WeakPolarHBondContact O-CB 3.21Å; G60-L63 PolarHBondContact O-N 3.06Å; G60-A64 PolarHBondContact O-N 3.14Å; G60-C93 WeakPolarHBondContact O-CB 3.47Å
61M97.5Very high97.5Very high84 Ų8422.2 Ų22.241%0.41412%0.119SC..Hα-helixtrans-70.8-33.5177.6-76-54.8-58.300111.3V57 A58 L63 A64 L65 F96V57-M61 HydrophobicContact CB-CB 3.68Å; V57-M61 HydrophobicContact CG1-CB 4.32Å; V57-M61 HydrophobicContact CG2-CB 3.7Å; A58-M61 PolarHBondContact O-N 3.33Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3.33Å; M61-A64 WeakPolarHBondContact O-CB 3.27Å; M61-A64 PolarHBondContact O-N 3.43Å; M61-A64 VanDerWaalsContact O-N 3.15Å; M61-L65 WeakPolarHBondContact O-CG 3.47Å; M61-L65 PolarHBondContact O-N 3.44Å; M61-F96 HydrophobicContact CE-CE1 4.17Å; M61-F96 HydrophobicContact CE-CZ 4.27Å
62A97.8Very high97.4Very high0 Ų028.8 Ų28.80%015%0.146CC..Hα-helixtrans-62.7-40172.400000112.1V57 A58 T59 G60 L65 C66 V196 A210 V212V57-A62 HydrophobicContact CG2-CB 4.08Å; A58-A62 PolarHBondContact O-N 2.87Å; A58-A62 VanDerWaalsContact O-N 3.09Å; T59-A62 PolarHBondContact O-N 3.42Å; G60-A62 VanDerWaalsContact C-N 3.34Å; A62-L65 PolarHBondContact O-N 2.86Å; A62-C66 PolarHBondContact O-N 2.87Å; A62-C66 PolarHBondContact O-SG 3.24Å; A62-V196 HydrophobicContact CB-CG1 3.61Å; A62-A210 HydrophobicContact CB-CB 3.66Å; A62-V212 HydrophobicContact CB-CG2 4.19Å
63L98.2Very high97.3Very high2 Ų233.5 Ų33.51%0.0117%0.171CC..Hα-helixtrans-61.2-43.5170.1-72165.8000111.3T59 G60 M61 L65 C66 L67 C93 L167 N169 V196T59-L63 HydrophobicContact CG2-CD1 4.38Å; T59-L63 WeakPolarHBondContact O-CG 3.33Å; T59-L63 PolarHBondContact O-N 3.16Å; G60-L63 WeakPolarHBondContact O-CB 3.21Å; G60-L63 PolarHBondContact O-N 3.06Å; M61-L63 VanDerWaalsContact C-N 3.34Å; M61-L63 PolarHBondContact O-N 3.33Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 PolarHBondContact O-N 3.18Å; L63-C66 WeakPolarHBondContact O-CB 3.43Å; L63-C66 PolarHBondContact O-N 3.37Å; L63-C66 VanDerWaalsContact O-N 3.13Å; L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 2.72Å; L63-C93 HydrophobicContact CB-CB 4.17Å; L63-L167 HydrophobicContact CD2-CD1 4.1Å; L63-L167 HydrophobicContact CD2-CD2 3.78Å; L63-L167 HydrophobicContact CD2-CG 3.9Å; L63-N169 HydrophobicContact CD1-CB 4.34Å; L63-N169 HydrophobicContact CD2-CB 4.45Å; L63-V196 HydrophobicContact CD2-CB 3.98Å; L63-V196 HydrophobicContact CD2-CG2 3.71Å; L63-V196 HydrophobicContact CG-CB 4.3Å; L63-V196 HydrophobicContact CG-CG1 4.48Å; L63-V196 HydrophobicContact CG-CG2 4.28Å
64A97.6Very high97.3Very high2 Ų233.3 Ų33.32%0.01717%0.17CC..Hα-helixtrans-62-37.9176.300000112.6G60 M61 L67 T68 C93 F96G60-A64 PolarHBondContact O-N 3.14Å; M61-A64 WeakPolarHBondContact O-CB 3.27Å; M61-A64 PolarHBondContact O-N 3.43Å; M61-A64 VanDerWaalsContact O-N 3.15Å; A64-L67 PolarHBondContact O-N 3.48Å; A64-T68 WeakPolarHBondContact O-CB 3.32Å; A64-T68 PolarHBondContact O-N 3.2Å; A64-T68 PolarHBondContact O-OG1 2.89Å; A64-C93 HydrophobicContact CB-CB 4.26Å; A64-F96 HydrophobicContact CB-CD1 4Å
65L97.2Very high97.2Very high20 Ų2038.3 Ų38.311%0.10520%0.202CC..Hα-helixtrans-63-42.9172.4-67.5170.9000111.1F55 V57 M61 A62 L63 T68 F69 I223 I226 Y227F55-L65 HydrophobicContact CD1-CD1 3.83Å; F55-L65 HydrophobicContact CE1-CD1 4.22Å; F55-L65 HydrophobicContact CG-CD1 4.16Å; V57-L65 HydrophobicContact CG2-CD1 4.14Å; M61-L65 WeakPolarHBondContact O-CG 3.47Å; M61-L65 PolarHBondContact O-N 3.44Å; A62-L65 PolarHBondContact O-N 2.86Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 PolarHBondContact O-N 3.18Å; L65-T68 WeakPolarHBondContact O-CB 3.47Å; L65-T68 PolarHBondContact O-N 3.47Å; L65-F69 PolarHBondContact O-N 2.98Å; L65-I223 HydrophobicContact CB-CD1 4.38Å; L65-I223 WeakPolarHBondContact O-CD1 3.41Å; L65-I226 HydrophobicContact CB-CG2 3.95Å; L65-I226 HydrophobicContact CD2-CG2 3.91Å; L65-I226 HydrophobicContact CG-CG2 4.44Å; L65-Y227 HydrophobicContact CD1-CD2 3.92Å; L65-Y227 HydrophobicContact CD2-CD2 4.39Å
66C98.2Very high97Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-59.8-46.7175.3-63.50000111.5A62 L63 T68 F69 L70 L167 L194A62-C66 PolarHBondContact O-N 2.87Å; A62-C66 PolarHBondContact O-SG 3.24Å; L63-C66 WeakPolarHBondContact O-CB 3.43Å; L63-C66 PolarHBondContact O-N 3.37Å; L63-C66 VanDerWaalsContact O-N 3.13Å; C66-T68 VanDerWaalsContact C-N 3.33Å; C66-T68 PolarHBondContact O-N 3.14Å; C66-F69 WeakPolarHBondContact O-CB 3.47Å; C66-F69 PolarHBondContact O-N 3.15Å; C66-L70 WeakPolarHBondContact O-CG 3.44Å; C66-L70 PolarHBondContact O-N 3.07Å; C66-L167 HydrophobicContact CB-CD1 3.85Å; C66-L167 HydrophobicContact CB-CD2 3.93Å; C66-L194 HydrophobicContact CB-CD1 3.77Å
67L98.2Very high97.1Very high1 Ų141.1 Ų41.11%0.00522%0.223CC..Hα-helixtrans-62.4-40.7176.5-64.6170.8000112L63 A64 F69 L70 R71 I80 M94 T97 L135 C136 I138 L167L63-L67 WeakPolarHBondContact O-CG 3.26Å; L63-L67 PolarHBondContact O-N 2.72Å; A64-L67 PolarHBondContact O-N 3.48Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 3.4Å; L67-L70 PolarHBondContact O-N 3.01Å; L67-R71 WeakPolarHBondContact O-CB 3.46Å; L67-R71 PolarHBondContact O-N 2.96Å; L67-I80 HydrophobicContact CD1-CD1 3.94Å; L67-I80 HydrophobicContact CD2-CD1 4.01Å; L67-I80 HydrophobicContact CD2-CG1 4.47Å; L67-M94 HydrophobicContact CD1-CG 4.18Å; L67-T97 HydrophobicContact CB-CG2 3.71Å; L67-T97 HydrophobicContact CD1-CG2 3.85Å; L67-T97 HydrophobicContact CG-CG2 4.44Å; L67-L135 HydrophobicContact CB-CD2 4.23Å; L67-L135 HydrophobicContact CD2-CD2 3.94Å; L67-C136 WeakPolarHBondContact CD2-SG 3.39Å; L67-I138 HydrophobicContact CD1-CD1 4.28Å; L67-I138 HydrophobicContact CD2-CD1 3.93Å; L67-L167 HydrophobicContact CD2-CD2 3.94Å; L67-L167 HydrophobicContact CG-CD2 4.17Å
68T96.8Very high97.1Very high59 Ų5943.1 Ų43.136%0.36224%0.235SC..Hα-helixtrans-61.6-41.6175.8-53.60000111.6A64 L65 C66 R71 K72 I226A64-T68 WeakPolarHBondContact O-CB 3.32Å; A64-T68 PolarHBondContact O-N 3.2Å; A64-T68 PolarHBondContact O-OG1 2.89Å; L65-T68 WeakPolarHBondContact O-CB 3.47Å; L65-T68 PolarHBondContact O-N 3.47Å; C66-T68 VanDerWaalsContact C-N 3.33Å; C66-T68 PolarHBondContact O-N 3.14Å; T68-R71 PolarHBondContact O-N 3.25Å; T68-K72 PolarHBondContact O-N 3.29Å; T68-I226 HydrophobicContact CG2-CD1 4.02Å; T68-I226 HydrophobicContact CG2-CG1 3.89Å
69F97.3Very high97.1Very high16 Ų1642.2 Ų42.27%0.0722%0.222CC..Hα-helixtrans-64.2-49174.7167.7-106.5000111.9L65 C66 L67 R71 K72 L73 L194 I219 G222 I223 I226L65-F69 PolarHBondContact O-N 2.98Å; C66-F69 WeakPolarHBondContact O-CB 3.47Å; C66-F69 PolarHBondContact O-N 3.15Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 3.4Å; F69-R71 PolarHBondContact O-N 3.49Å; F69-K72 WeakPolarHBondContact O-CB 3.49Å; F69-K72 PolarHBondContact O-N 3.17Å; F69-L73 HydrophobicContact CD1-CD1 4.48Å; F69-L73 HydrophobicContact CE1-CD1 3.73Å; F69-L73 HydrophobicContact CE2-CD1 4.39Å; F69-L73 HydrophobicContact CE2-CG 4.46Å; F69-L73 HydrophobicContact CZ-CD1 3.69Å; F69-L73 HydrophobicContact CZ-CD2 4.47Å; F69-L73 HydrophobicContact CZ-CG 4.24Å; F69-L73 PolarHBondContact O-N 3.27Å; F69-L194 HydrophobicContact CD1-CD1 4.12Å; F69-I219 HydrophobicContact CE1-CG2 3.98Å; F69-G222 WeakPolarHBondContact CD2-O 3.16Å; F69-G222 VanDerWaalsContact CE2-CA 3.46Å; F69-I223 HydrophobicContact CB-CD1 3.48Å; F69-I223 VanDerWaalsContact CB-CD1 3.48Å; F69-I223 HydrophobicContact CD1-CB 4.49Å; F69-I223 HydrophobicContact CD1-CD1 4.41Å; F69-I223 HydrophobicContact CG-CB 4.37Å; F69-I223 HydrophobicContact CG-CD1 4.04Å; F69-I226 HydrophobicContact CB-CB 4.48Å; F69-I226 HydrophobicContact CB-CD1 4.39Å; F69-I226 HydrophobicContact CB-CG1 4.2Å
70L97.7Very high97.1Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-59.6-33.1177.6-67.9175.5000111.8C66 L67 K72 L73 R74 L135 C136 P165C66-L70 WeakPolarHBondContact O-CG 3.44Å; C66-L70 PolarHBondContact O-N 3.07Å; L67-L70 PolarHBondContact O-N 3.01Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 3.3Å; L70-L73 HydrophobicContact CD2-CD1 4.4Å; L70-L73 CarbonylContact O-C 3.49Å; L70-L73 WeakPolarHBondContact O-CA 3.34Å; L70-L73 WeakPolarHBondContact O-CB 3.5Å; L70-L73 PolarHBondContact O-N 3.47Å; L70-R74 PolarHBondContact O-N 3.23Å; L70-L135 VanDerWaalsContact C-CD1 3.47Å; L70-L135 HydrophobicContact CB-CD1 3.78Å; L70-L135 HydrophobicContact CB-CG 4.22Å; L70-C136 HydrophobicContact CD1-CB 3.85Å; L70-P165 HydrophobicContact CD1-CB 4.2Å; L70-P165 HydrophobicContact CD2-CB 3.93Å; L70-P165 HydrophobicContact CD2-CG 4.29Å
71R96.3Very high97.1Very high112 Ų11241.2 Ų41.242%0.42322%0.215SC..Hα-helixtrans-67.3-31.2177.5-173.3175.8-179.8171.12.2112.1L67 T68 F69 L73 R74 P75 T97 L135L67-R71 WeakPolarHBondContact O-CB 3.46Å; L67-R71 PolarHBondContact O-N 2.96Å; T68-R71 PolarHBondContact O-N 3.25Å; F69-R71 PolarHBondContact O-N 3.49Å; R71-L73 VanDerWaalsContact C-N 3.28Å; R71-R74 CarbonylContact O-C 3.46Å; R71-R74 PolarHBondContact O-N 3.37Å; R71-P75 VanDerWaalsContact O-CA 3.31Å; R71-P75 WeakPolarHBondContact O-CA 3.3Å; R71-P75 VanDerWaalsContact O-N 3.15Å; R71-T97 PolarHBondContact NH1-O 3.42Å; R71-L135 HydrophobicContact CB-CD1 4.14Å
72K95.4Very high97.2Very high145 Ų14537.2 Ų37.263%0.6320%0.195SC*.Hα-helixtrans-65.1-34.5170.4-70.2-172.4173.6179.60111.9T68 F69 L70 I226T68-K72 PolarHBondContact O-N 3.29Å; F69-K72 WeakPolarHBondContact O-CB 3.49Å; F69-K72 PolarHBondContact O-N 3.17Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 3.3Å; K72-I226 HydrophobicContact CD-CD1 3.61Å; K72-I226 HydrophobicContact CG-CD1 4.33Å
73L95.4Very high97.2Very high101 Ų10137.2 Ų37.253%0.52920%0.195SC..Hα-helixtrans-78.4-27.6176.9-57.1-177.9000112.7F69 L70 R71F69-L73 HydrophobicContact CD1-CD1 4.48Å; F69-L73 HydrophobicContact CE1-CD1 3.73Å; F69-L73 HydrophobicContact CE2-CD1 4.39Å; F69-L73 HydrophobicContact CE2-CG 4.46Å; F69-L73 HydrophobicContact CZ-CD1 3.69Å; F69-L73 HydrophobicContact CZ-CD2 4.47Å; F69-L73 HydrophobicContact CZ-CG 4.24Å; F69-L73 PolarHBondContact O-N 3.27Å; L70-L73 HydrophobicContact CD2-CD1 4.4Å; L70-L73 CarbonylContact O-C 3.49Å; L70-L73 WeakPolarHBondContact O-CA 3.34Å; L70-L73 WeakPolarHBondContact O-CB 3.5Å; L70-L73 PolarHBondContact O-N 3.47Å; R71-L73 VanDerWaalsContact C-N 3.28Å
74R96.9Very high97.2Very high39 Ų3937.1 Ų37.115%0.14720%0.195CC..  trans-13169.8-178.3-59.9-177.669.169.9-3.7110.9L70 R71 S76 A77 P131 Q132 V134 L135L70-R74 PolarHBondContact O-N 3.23Å; R71-R74 CarbonylContact O-C 3.46Å; R71-R74 PolarHBondContact O-N 3.37Å; R74-S76 PolarHBondContact O-N 3.29Å; R74-A77 HydrophobicContact CB-CB 4.05Å; R74-A77 WeakPolarHBondContact O-CB 3.23Å; R74-A77 PolarHBondContact O-N 3.41Å; R74-A77 VanDerWaalsContact O-N 3.09Å; R74-P131 PolarHBondContact NH2-O 2.99Å; R74-Q132 VanDerWaalsContact NH2-OE1 3.14Å; R74-V134 PolarHBondContact NE-O 3.02Å; R74-L135 HydrophobicContact CB-CD1 4.25Å
75P95.5Very high97.1Very high106 Ų10637.4 Ų37.469%0.68820%0.195SC*.THydrogen-bonded Turntrans-65.6-22.2-174.525.5-35000114R71 A77R71-P75 VanDerWaalsContact O-CA 3.31Å; R71-P75 WeakPolarHBondContact O-CA 3.3Å; R71-P75 VanDerWaalsContact O-N 3.15Å; P75-A77 VanDerWaalsContact C-N 3.32Å
76S94.7Very high97.1Very high79 Ų7936.5 Ų36.555%0.55219%0.191SC*.THydrogen-bonded Turntrans-79.8-9.9176.2580000114R74R74-S76 PolarHBondContact O-N 3.29Å
77A97.7Very high96.9Very high3 Ų339.2 Ų39.23%0.02520%0.203CC..  trans-73.9134.5-176.600000111.7R74 P75 E133 L135R74-A77 HydrophobicContact CB-CB 4.05Å; R74-A77 WeakPolarHBondContact O-CB 3.23Å; R74-A77 PolarHBondContact O-N 3.41Å; R74-A77 VanDerWaalsContact O-N 3.09Å; P75-A77 VanDerWaalsContact C-N 3.32Å; A77-E133 CarbonylContact C-O 3.15Å; A77-E133 VanDerWaalsContact CA-O 3.32Å; A77-E133 WeakPolarHBondContact CA-O 3.38Å; A77-L135 VanDerWaalsContact CB-CA 3.48Å; A77-L135 HydrophobicContact CB-CB 3.74Å; A77-L135 HydrophobicContact CB-CD1 4.08Å
78T97.4Very high96.7Very high70 Ų7046.9 Ų46.943%0.42923%0.232SC..  trans-119.5-13.8-177.153.40000113E100 E133T78-E100 PolarHBondContact O-N 3.19Å; T78-E133 PolarHBondContact N-O 3.49Å
79R97.6Very high96.5Very high26 Ų2647 Ų4710%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-127.6146.9-170.7-58.7-169.9-81.6136.7-4113.1E100 V102 S130 E133 V134 L135R79-E100 CarbonylContact C-O 3.47Å; R79-E100 WeakPolarHBondContact CA-O 3.45Å; R79-E100 WeakPolarHBondContact CD-OE2 3.47Å; R79-E100 HydrophobicContact CG-CB 4.14Å; R79-E100 WeakPolarHBondContact CG-OE2 3.39Å; R79-V102 HydrophobicContact CB-CG2 4.22Å; R79-S130 PolarHBondContact NH2-OG 3.47Å; R79-E133 IonicContact CZ-OE2 3.8Å; R79-E133 PolarHBondContact N-O 2.9Å; R79-E133 IonicContact NE-OE2 3.82Å; R79-E133 PolarHBondContact NE-OE2 3.12Å; R79-E133 IonicContact NH2-OE2 3.66Å; R79-E133 PolarHBondContact NH2-OE2 3.25Å; R79-V134 WeakPolarHBondContact O-CA 3.36Å; R79-L135 WeakPolarHBondContact O-CB 3.45Å; R79-L135 PolarHBondContact O-N 2.87Å
80I98.3Very high96.3Very high0 Ų046.9 Ų46.90%023%0.234CC..EExtended strand (participates in β ladder)trans-118.3122.7170.6-62.1167.7000107.9L67 M94 L99 E100 V102 L135 I138L67-I80 HydrophobicContact CD1-CD1 3.94Å; L67-I80 HydrophobicContact CD2-CD1 4.01Å; L67-I80 HydrophobicContact CD2-CG1 4.47Å; I80-M94 HydrophobicContact CB-SD 4.43Å; I80-M94 HydrophobicContact CD1-CB 3.9Å; I80-M94 HydrophobicContact CD1-CG 4.15Å; I80-M94 HydrophobicContact CG2-CG 4.21Å; I80-M94 HydrophobicContact CG2-SD 3.63Å; I80-L99 HydrophobicContact CD1-CB 4.08Å; I80-L99 HydrophobicContact CD1-CD1 4.06Å; I80-L99 HydrophobicContact CG1-CB 4.26Å; I80-L99 HydrophobicContact CG1-CD1 4.07Å; I80-E100 PolarHBondContact N-O 3.43Å; I80-V102 PolarHBondContact O-N 3.36Å; I80-L135 HydrophobicContact CD1-CD2 4.37Å; I80-L135 HydrophobicContact CG1-CB 4.25Å; I80-L135 HydrophobicContact CG1-CD2 4.16Å; I80-I138 HydrophobicContact CG2-CD1 3.64Å; I80-I138 HydrophobicContact CG2-CG1 3.78Å
81V98.4Very high96.2Very high0 Ų046.9 Ų46.90%023%0.234CC..EExtended strand (participates in β ladder)trans-89.1124.3174.9177.40000108.6V102 V104 I123 A126 I127 V134 C136 V137 I138V81-V102 HydrophobicContact CG2-CB 4.35Å; V81-V104 HydrophobicContact CG1-CG2 3.87Å; V81-I123 HydrophobicContact CG1-CG2 4.5Å; V81-A126 HydrophobicContact CG1-CB 3.77Å; V81-A126 HydrophobicContact CG2-CB 3.89Å; V81-I127 HydrophobicContact CG2-CG1 4.27Å; V81-V134 HydrophobicContact CB-CG1 4.49Å; V81-V134 HydrophobicContact CG2-CG1 3.86Å; V81-V134 HydrophobicContact CG2-CG2 4.15Å; V81-C136 PolarHBondContact N-O 3.17Å; V81-C136 VanDerWaalsContact N-O 3.1Å; V81-V137 HydrophobicContact CB-CG2 4.3Å; V81-V137 CarbonylContact O-C 3.24Å; V81-V137 VanDerWaalsContact O-CA 3.32Å; V81-V137 WeakPolarHBondContact O-CA 3.37Å; V81-I138 PolarHBondContact O-N 2.66Å
82W98.4Very high96.2Very high1 Ų147 Ų470%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-131123.4-172.4173.459.8000112.7R84 I85 C90 V91 M94 V101 V102 V103 V104 F340W82-R84 HydrophobicContact CH2-CG 4.25Å; W82-R84 HydrophobicContact CZ3-CB 4.36Å; W82-R84 HydrophobicContact CZ3-CG 4.17Å; W82-R84 PolarHBondContact O-N 3.5Å; W82-I85 WeakPolarHBondContact CH2-O 3.22Å; W82-I85 HydrophobicContact CZ2-CB 4.32Å; W82-I85 HydrophobicContact CZ2-CG2 3.56Å; W82-I85 WeakPolarHBondContact CZ2-O 3.47Å; W82-C90 HydrophobicContact CZ2-CB 4.2Å; W82-V91 HydrophobicContact CH2-CG2 3.66Å; W82-V91 HydrophobicContact CZ2-CG2 4.3Å; W82-V91 HydrophobicContact CZ3-CG2 4.12Å; W82-M94 HydrophobicContact CB-CE 3.92Å; W82-M94 HydrophobicContact CB-SD 3.69Å; W82-M94 HydrophobicContact CD2-CE 3.43Å; W82-M94 VanDerWaalsContact CD2-CE 3.43Å; W82-M94 HydrophobicContact CD2-SD 4.36Å; W82-M94 HydrophobicContact CE3-CE 3.81Å; W82-M94 HydrophobicContact CG-CE 3.49Å; W82-M94 VanDerWaalsContact CG-CE 3.49Å; W82-M94 HydrophobicContact CG-SD 3.77Å; W82-M94 HydrophobicContact CZ2-CE 4.4Å; W82-M94 HydrophobicContact CZ3-CE 4.46Å; W82-V101 HydrophobicContact CB-CG1 4.28Å; W82-V101 HydrophobicContact CE3-CG1 4.35Å; W82-V102 PolarHBondContact N-O 3.32Å; W82-V103 HydrophobicContact CE3-CB 4.43Å; W82-V103 HydrophobicContact CE3-CG1 4.05Å; W82-V103 HydrophobicContact CE3-CG2 4.06Å; W82-V103 HydrophobicContact CZ3-CG1 4.06Å; W82-V103 HydrophobicContact CZ3-CG2 4.23Å; W82-V104 PolarHBondContact O-N 2.98Å; W82-F340 AromaticContact CZ3-CE1 3.97Å; W82-F340 HydrophobicContact CZ3-CE1 3.97Å; W82-F340 HydrophobicContact CZ3-CZ 4.09Å
83S98.1Very high96.2Very high0 Ų040.5 Ų40.50%021%0.21CC..EExtended strand (participates in β ladder)trans-72.5107.2171.4-176.70000109.4I85 Q106 I138 R147 D150S83-I85 PolarHBondContact O-N 3.5Å; S83-Q106 PolarHBondContact OG-NE2 2.76Å; S83-I138 PolarHBondContact N-O 3.17Å; S83-I138 VanDerWaalsContact N-O 3.08Å; S83-R147 PolarHBondContact O-NH2 2.81Å; S83-R147 PolarHBondContact OG-NH2 3.18Å; S83-R147 VanDerWaalsContact OG-NH2 3.13Å; S83-D150 WeakPolarHBondContact CB-OD2 3.49Å; S83-D150 PolarHBondContact OG-OD1 3.18Å; S83-D150 PolarHBondContact OG-OD2 2.94Å
84R97.6Very high96.3Very high0 Ų035.7 Ų35.70%019%0.185CC..  trans-48.3131.3-168.7-176.9-178.6169.3-178.4-7.4112.7W82 D86 V103 V104 E105 Q106 R147 Q341 T347 S348W82-R84 HydrophobicContact CH2-CG 4.25Å; W82-R84 HydrophobicContact CZ3-CB 4.36Å; W82-R84 HydrophobicContact CZ3-CG 4.17Å; W82-R84 PolarHBondContact O-N 3.5Å; R84-D86 IonicContact CZ-OD1 3.73Å; R84-D86 IonicContact CZ-OD2 2.67Å; R84-D86 IonicContact NE-OD1 3.82Å; R84-D86 PolarHBondContact NE-OD1 2.99Å; R84-D86 IonicContact NE-OD2 3.6Å; R84-D86 IonicContact NH2-OD1 2.79Å; R84-D86 PolarHBondContact NH2-OD1 3.31Å; R84-D86 IonicContact NH2-OD2 3.9Å; R84-D86 PolarHBondContact NH2-OD2 2.88Å; R84-V103 HydrophobicContact CB-CG1 3.91Å; R84-V103 HydrophobicContact CG-CG1 4.13Å; R84-V104 VanDerWaalsContact CB-O 3.29Å; R84-V104 WeakPolarHBondContact CB-O 3.38Å; R84-V104 PolarHBondContact N-O 2.88Å; R84-E105 WeakPolarHBondContact CD-OE1 3.44Å; R84-E105 WeakPolarHBondContact CD-OE2 3.45Å; R84-E105 IonicContact CZ-OE1 3.13Å; R84-E105 IonicContact CZ-OE2 2.84Å; R84-E105 IonicContact NE-OE2 3.33Å; R84-E105 IonicContact NH1-OE1 2.72Å; R84-E105 PolarHBondContact NH1-OE1 3.47Å; R84-E105 IonicContact NH1-OE2 3.51Å; R84-E105 PolarHBondContact NH1-OE2 3.35Å; R84-Q106 PolarHBondContact O-NE2 3.29Å; R84-R147 PolarHBondContact O-NE 2.76Å; R84-Q341 PolarHBondContact NH2-O 2.92Å; R84-T347 PolarHBondContact NH1-O 3.14Å; R84-T347 PolarHBondContact NH2-O 3.09Å; R84-S348 PolarHBondContact NH1-OG 3.22Å
85I97.1Very high96.3Very high7 Ų735.3 Ų35.34%0.03619%0.187CC..  trans-144.6128.9165.1-178.3174.4000109.8W82 S83 Q87 C90 T140 C143W82-I85 WeakPolarHBondContact CH2-O 3.22Å; W82-I85 HydrophobicContact CZ2-CB 4.32Å; W82-I85 HydrophobicContact CZ2-CG2 3.56Å; W82-I85 WeakPolarHBondContact CZ2-O 3.47Å; S83-I85 PolarHBondContact O-N 3.5Å; I85-Q87 VanDerWaalsContact C-N 3.26Å; I85-Q87 PolarHBondContact O-N 3.06Å; I85-C90 HydrophobicContact CG2-CB 4.33Å; I85-T140 HydrophobicContact CD1-CG2 3.67Å; I85-T140 HydrophobicContact CG2-CG2 4.38Å; I85-C143 HydrophobicContact CD1-CB 3.54Å
86D96.2Very high96.2Very high1 Ų136.7 Ų36.71%0.00518%0.183CC..  trans-85.571.6-169.7-63.8-1.5000111.4R84 W343 G344 S345 H346R84-D86 IonicContact CZ-OD1 3.73Å; R84-D86 IonicContact CZ-OD2 2.67Å; R84-D86 IonicContact NE-OD1 3.82Å; R84-D86 PolarHBondContact NE-OD1 2.99Å; R84-D86 IonicContact NE-OD2 3.6Å; R84-D86 IonicContact NH2-OD1 2.79Å; R84-D86 PolarHBondContact NH2-OD1 3.31Å; R84-D86 IonicContact NH2-OD2 3.9Å; R84-D86 PolarHBondContact NH2-OD2 2.88Å; D86-W343 VanDerWaalsContact C-CZ2 3.44Å; D86-W343 HydrophobicContact CB-CD2 3.91Å; D86-W343 HydrophobicContact CB-CE3 3.94Å; D86-W343 HydrophobicContact CB-CH2 4.13Å; D86-W343 HydrophobicContact CB-CZ2 4.09Å; D86-W343 HydrophobicContact CB-CZ3 4.06Å; D86-W343 WeakPolarHBondContact OD2-CA 3.32Å; D86-G344 VanDerWaalsContact CB-N 3.27Å; D86-G344 PolarHBondContact OD2-N 3.27Å; D86-S345 PolarHBondContact OD2-N 3.23Å; D86-H346 WeakPolarHBondContact CB-ND1 3.36Å; D86-H346 PolarHBondContact N-ND1 3.37Å; D86-H346 WeakPolarHBondContact OD2-CA 3.42Å; D86-H346 PolarHBondContact OD2-N 3.24Å; D86-H346 IonicContact OD2-ND1 2.94Å
87Q94.4Very high96.2Very high57 Ų5733.7 Ų33.727%0.26616%0.161SC..  trans-133.8121.2175.8-161.2-73-16.300108.3I85 T89 C90 V91I85-Q87 VanDerWaalsContact C-N 3.26Å; I85-Q87 PolarHBondContact O-N 3.06Å; Q87-T89 VanDerWaalsContact C-N 3.34Å; Q87-T89 PolarHBondContact NE2-OG1 2.84Å; Q87-T89 PolarHBondContact O-N 3.3Å; Q87-C90 WeakPolarHBondContact O-CB 3.44Å; Q87-C90 PolarHBondContact O-N 3.11Å; Q87-C90 VanDerWaalsContact O-N 3.1Å; Q87-C90 PolarHBondContact OE1-SG 2.9Å; Q87-V91 PolarHBondContact O-N 2.87Å
88R94.3Very high96Very high162 Ų16236.8 Ų36.861%0.61119%0.193SC*.Hα-helixtrans-58.9-43.2-169.6-66.4-173.6177.6-174.3-0.5112.6C90 V91 K92 I335 W343R88-C90 VanDerWaalsContact C-N 3.25Å; R88-C90 PolarHBondContact O-N 3Å; R88-V91 PolarHBondContact O-N 2.93Å; R88-V91 VanDerWaalsContact O-N 3.16Å; R88-K92 WeakPolarHBondContact O-CB 3.19Å; R88-K92 VanDerWaalsContact O-CG 3.28Å; R88-K92 WeakPolarHBondContact O-CG 3.49Å; R88-K92 PolarHBondContact O-N 3.13Å; R88-I335 HydrophobicContact CG-CD1 3.95Å; R88-W343 HydrophobicContact CG-CZ2 3.83Å
89T93Very high95.9Very high63 Ų6334.3 Ų34.339%0.38718%0.177SC..Hα-helixtrans-58.1-34.7178.7-48.80000113Q87 C93Q87-T89 VanDerWaalsContact C-N 3.34Å; Q87-T89 PolarHBondContact NE2-OG1 2.84Å; Q87-T89 PolarHBondContact O-N 3.3Å; T89-C93 WeakPolarHBondContact O-CB 3.29Å; T89-C93 PolarHBondContact O-N 3.46Å
90C91.4Very high95.9Very high12 Ų1238.7 Ų38.78%0.08120%0.199CC..Hα-helixtrans-69-38.5177.6-580000111.6W82 I85 Q87 R88 C93 M94 N169W82-C90 HydrophobicContact CZ2-CB 4.2Å; I85-C90 HydrophobicContact CG2-CB 4.33Å; Q87-C90 WeakPolarHBondContact O-CB 3.44Å; Q87-C90 PolarHBondContact O-N 3.11Å; Q87-C90 VanDerWaalsContact O-N 3.1Å; Q87-C90 PolarHBondContact OE1-SG 2.9Å; R88-C90 VanDerWaalsContact C-N 3.25Å; R88-C90 PolarHBondContact O-N 3Å; C90-C93 PolarHBondContact O-SG 3.45Å; C90-M94 VanDerWaalsContact O-CE 3.23Å; C90-M94 WeakPolarHBondContact O-CE 3.41Å; C90-N169 PolarHBondContact SG-ND2 2.74Å; C90-N169 VanDerWaalsContact SG-ND2 3.36Å
91V95.5Very high95.8Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-68.4-50.2173.4-178.70000109.9W82 Q87 R88 C93 M94 T95 I335 L338 F340 W343W82-V91 HydrophobicContact CH2-CG2 3.66Å; W82-V91 HydrophobicContact CZ2-CG2 4.3Å; W82-V91 HydrophobicContact CZ3-CG2 4.12Å; Q87-V91 PolarHBondContact O-N 2.87Å; R88-V91 PolarHBondContact O-N 2.93Å; R88-V91 VanDerWaalsContact O-N 3.16Å; V91-C93 VanDerWaalsContact C-N 3.3Å; V91-C93 PolarHBondContact O-N 2.92Å; V91-M94 PolarHBondContact O-N 3.49Å; V91-M94 VanDerWaalsContact O-N 3.11Å; V91-T95 HydrophobicContact CG1-CG2 4.2Å; V91-T95 PolarHBondContact O-N 2.93Å; V91-T95 PolarHBondContact O-OG1 3.39Å; V91-I335 HydrophobicContact CB-CG2 4.07Å; V91-I335 HydrophobicContact CG1-CB 4.17Å; V91-I335 HydrophobicContact CG1-CG2 3.73Å; V91-L338 HydrophobicContact CG1-CD1 3.74Å; V91-F340 HydrophobicContact CG1-CE2 4.38Å; V91-F340 HydrophobicContact CG1-CZ 4.48Å; V91-F340 HydrophobicContact CG2-CE2 4.25Å; V91-F340 HydrophobicContact CG2-CZ 4.06Å; V91-W343 HydrophobicContact CG2-CH2 3.92Å; V91-W343 HydrophobicContact CG2-CZ3 4.29Å
92K96.9Very high95.8Very high115 Ų11540.7 Ų40.750%0.521%0.211SC..Hα-helixtrans-61-34.1-175.8-69.2-164.375.8165.40113.5R88 M94 T95 F96 I335R88-K92 WeakPolarHBondContact O-CB 3.19Å; R88-K92 VanDerWaalsContact O-CG 3.28Å; R88-K92 WeakPolarHBondContact O-CG 3.49Å; R88-K92 PolarHBondContact O-N 3.13Å; K92-M94 VanDerWaalsContact C-N 3.28Å; K92-M94 PolarHBondContact O-N 3.28Å; K92-T95 VanDerWaalsContact CA-OG1 3.32Å; K92-T95 WeakPolarHBondContact CA-OG1 3.46Å; K92-T95 PolarHBondContact O-OG1 3.24Å; K92-F96 WeakPolarHBondContact O-CB 3.09Å; K92-F96 PolarHBondContact O-N 3.39Å; K92-I335 HydrophobicContact CG-CG2 4.15Å
93C96.2Very high95.7Very high8 Ų842.8 Ų42.85%0.05422%0.223CC..Hα-helixtrans-68.6-29.3179.269.40000113G60 L63 A64 T89 C90 V91G60-C93 WeakPolarHBondContact O-CB 3.47Å; L63-C93 HydrophobicContact CB-CB 4.17Å; A64-C93 HydrophobicContact CB-CB 4.26Å; T89-C93 WeakPolarHBondContact O-CB 3.29Å; T89-C93 PolarHBondContact O-N 3.46Å; C90-C93 PolarHBondContact O-SG 3.45Å; V91-C93 VanDerWaalsContact C-N 3.3Å; V91-C93 PolarHBondContact O-N 2.92Å
94M97.6Very high95.7Very high1 Ų143.2 Ų43.21%0.00523%0.226CC..Hα-helixtrans-79.9-47.2175.3-60.3-177.5-76.300111.1L67 I80 W82 C90 V91 K92 F96 T97 V101 I138L67-M94 HydrophobicContact CD1-CG 4.18Å; I80-M94 HydrophobicContact CB-SD 4.43Å; I80-M94 HydrophobicContact CD1-CB 3.9Å; I80-M94 HydrophobicContact CD1-CG 4.15Å; I80-M94 HydrophobicContact CG2-CG 4.21Å; I80-M94 HydrophobicContact CG2-SD 3.63Å; W82-M94 HydrophobicContact CB-CE 3.92Å; W82-M94 HydrophobicContact CB-SD 3.69Å; W82-M94 HydrophobicContact CD2-CE 3.43Å; W82-M94 VanDerWaalsContact CD2-CE 3.43Å; W82-M94 HydrophobicContact CD2-SD 4.36Å; W82-M94 HydrophobicContact CE3-CE 3.81Å; W82-M94 HydrophobicContact CG-CE 3.49Å; W82-M94 VanDerWaalsContact CG-CE 3.49Å; W82-M94 HydrophobicContact CG-SD 3.77Å; W82-M94 HydrophobicContact CZ2-CE 4.4Å; W82-M94 HydrophobicContact CZ3-CE 4.46Å; C90-M94 VanDerWaalsContact O-CE 3.23Å; C90-M94 WeakPolarHBondContact O-CE 3.41Å; V91-M94 PolarHBondContact O-N 3.49Å; V91-M94 VanDerWaalsContact O-N 3.11Å; K92-M94 VanDerWaalsContact C-N 3.28Å; K92-M94 PolarHBondContact O-N 3.28Å; M94-F96 PolarHBondContact O-N 3.29Å; M94-T97 PolarHBondContact O-N 2.88Å; M94-T97 PolarHBondContact O-OG1 3.01Å; M94-V101 HydrophobicContact CB-CG2 3.6Å; M94-V101 HydrophobicContact CE-CG1 3.6Å; M94-V101 HydrophobicContact CE-CG2 4.44Å; M94-V101 HydrophobicContact SD-CG1 3.81Å; M94-V101 HydrophobicContact SD-CG2 4.32Å; M94-I138 HydrophobicContact CG-CD1 3.67Å; M94-I138 HydrophobicContact SD-CD1 3.67Å
95T96.1Very high95.6Very high30 Ų3046.5 Ų46.518%0.18424%0.241CC..Hα-helixtrans-64.3-29.1178.556.40000111.9V91 K92 T97 G98 V101 D336 L338V91-T95 HydrophobicContact CG1-CG2 4.2Å; V91-T95 PolarHBondContact O-N 2.93Å; V91-T95 PolarHBondContact O-OG1 3.39Å; K92-T95 VanDerWaalsContact CA-OG1 3.32Å; K92-T95 WeakPolarHBondContact CA-OG1 3.46Å; K92-T95 PolarHBondContact O-OG1 3.24Å; T95-T97 PolarHBondContact O-N 2.84Å; T95-T97 VanDerWaalsContact O-N 3.16Å; T95-G98 PolarHBondContact O-N 3.46Å; T95-V101 HydrophobicContact CG2-CG2 4.2Å; T95-D336 HydrophobicContact CG2-CB 3.89Å; T95-D336 PolarHBondContact OG1-OD2 3.16Å; T95-L338 HydrophobicContact CG2-CD1 4.06Å
96F94.4Very high95.5Very high136 Ų13646.4 Ų46.460%0.59624%0.241SC*.THydrogen-bonded Turntrans-57.7-25172.1-174.4-98.3000113.6M61 A64 K92 M94 G98M61-F96 HydrophobicContact CE-CE1 4.17Å; M61-F96 HydrophobicContact CE-CZ 4.27Å; A64-F96 HydrophobicContact CB-CD1 4Å; K92-F96 WeakPolarHBondContact O-CB 3.09Å; K92-F96 PolarHBondContact O-N 3.39Å; M94-F96 PolarHBondContact O-N 3.29Å; F96-G98 VanDerWaalsContact C-N 3.29Å
97T92.9Very high95.3Very high16 Ų1650.9 Ų50.910%0.09826%0.26CS..THydrogen-bonded Turntrans-81.3-9.5177.171.70000113.4L67 R71 M94 T95 L99L67-T97 HydrophobicContact CB-CG2 3.71Å; L67-T97 HydrophobicContact CD1-CG2 3.85Å; L67-T97 HydrophobicContact CG-CG2 4.44Å; R71-T97 PolarHBondContact NH1-O 3.42Å; M94-T97 PolarHBondContact O-N 2.88Å; M94-T97 PolarHBondContact O-OG1 3.01Å; T95-T97 PolarHBondContact O-N 2.84Å; T95-T97 VanDerWaalsContact O-N 3.16Å; T97-L99 PolarHBondContact O-N 2.93Å; T97-L99 WeakPolarHBondContact OG1-CB 3.15Å; T97-L99 WeakPolarHBondContact OG1-CG 3.47Å; T97-L99 PolarHBondContact OG1-N 3.33Å
98G94.6Very high95.1Very high67 Ų6752.6 Ų52.669%0.69128%0.276SS*.THydrogen-bonded Turntrans67.721.6-173.200000113.9T95 F96T95-G98 PolarHBondContact O-N 3.46Å; F96-G98 VanDerWaalsContact C-N 3.29Å
99L95.6Very high94.7Very high19 Ų1945.3 Ų45.310%0.09925%0.25CS..  trans-96.4156.2175.9-64.5-179.3000110I80 T97 L135I80-L99 HydrophobicContact CD1-CB 4.08Å; I80-L99 HydrophobicContact CD1-CD1 4.06Å; I80-L99 HydrophobicContact CG1-CB 4.26Å; I80-L99 HydrophobicContact CG1-CD1 4.07Å; T97-L99 PolarHBondContact O-N 2.93Å; T97-L99 WeakPolarHBondContact OG1-CB 3.15Å; T97-L99 WeakPolarHBondContact OG1-CG 3.47Å; T97-L99 PolarHBondContact OG1-N 3.33Å; L99-L135 HydrophobicContact CD1-CB 4.16Å; L99-L135 HydrophobicContact CD1-CD2 3.38Å; L99-L135 HydrophobicContact CD1-CG 4.3Å
100E96.4Very high93.9Very high118 Ų11847 Ų4755%0.55127%0.271SS*.EExtended strand (participates in β ladder)trans-70.8135.8173.5-177.6-166.6164.100110.1T78 R79 I80T78-E100 PolarHBondContact O-N 3.19Å; R79-E100 CarbonylContact C-O 3.47Å; R79-E100 WeakPolarHBondContact CA-O 3.45Å; R79-E100 WeakPolarHBondContact CD-OE2 3.47Å; R79-E100 HydrophobicContact CG-CB 4.14Å; R79-E100 WeakPolarHBondContact CG-OE2 3.39Å; I80-E100 PolarHBondContact N-O 3.43Å
101V97.5Very high92.9Very high11 Ų1152.6 Ų52.67%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-103.8111.7177.5-177.30000109.4W82 M94 T95 V103 L338W82-V101 HydrophobicContact CB-CG1 4.28Å; W82-V101 HydrophobicContact CE3-CG1 4.35Å; M94-V101 HydrophobicContact CB-CG2 3.6Å; M94-V101 HydrophobicContact CE-CG1 3.6Å; M94-V101 HydrophobicContact CE-CG2 4.44Å; M94-V101 HydrophobicContact SD-CG1 3.81Å; M94-V101 HydrophobicContact SD-CG2 4.32Å; T95-V101 HydrophobicContact CG2-CG2 4.2Å; V101-V103 HydrophobicContact CG1-CG2 4.21Å; V101-V103 PolarHBondContact O-N 2.8Å; V101-L338 HydrophobicContact CB-CD1 3.96Å; V101-L338 HydrophobicContact CG1-CD1 4.29Å; V101-L338 HydrophobicContact CG2-CD1 4.28Å
102V97.2Very high91.4Very high31 Ų3155.7 Ų55.719%0.18833%0.332CS..EExtended strand (participates in β ladder)trans-86.8101173.2-176.20000108.3R79 I80 V81 W82 A126R79-V102 HydrophobicContact CB-CG2 4.22Å; I80-V102 PolarHBondContact O-N 3.36Å; V81-V102 HydrophobicContact CG2-CB 4.35Å; W82-V102 PolarHBondContact N-O 3.32Å; V102-A126 HydrophobicContact CG1-CB 3.88Å
103V97.1Very high89.9Confident44 Ų4454.2 Ų54.227%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-78.2121.2180-175.20000109.7W82 R84 V101 F340W82-V103 HydrophobicContact CE3-CB 4.43Å; W82-V103 HydrophobicContact CE3-CG1 4.05Å; W82-V103 HydrophobicContact CE3-CG2 4.06Å; W82-V103 HydrophobicContact CZ3-CG1 4.06Å; W82-V103 HydrophobicContact CZ3-CG2 4.23Å; R84-V103 HydrophobicContact CB-CG1 3.91Å; R84-V103 HydrophobicContact CG-CG1 4.13Å; V101-V103 HydrophobicContact CG1-CG2 4.21Å; V101-V103 PolarHBondContact O-N 2.8Å; V103-F340 HydrophobicContact CG1-CE1 4.14Å; V103-F340 HydrophobicContact CG2-CE1 4.08Å; V103-F340 HydrophobicContact CG2-CZ 4.31Å
104V97.4Very high89.1Confident10 Ų1057.7 Ų57.76%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-102.9114.1170.2-175.80000108.8V81 W82 R84 D119 I123 A126V81-V104 HydrophobicContact CG1-CG2 3.87Å; W82-V104 PolarHBondContact O-N 2.98Å; R84-V104 VanDerWaalsContact CB-O 3.29Å; R84-V104 WeakPolarHBondContact CB-O 3.38Å; R84-V104 PolarHBondContact N-O 2.88Å; V104-D119 HydrophobicContact CG1-CB 3.95Å; V104-I123 HydrophobicContact CB-CG1 4.27Å; V104-I123 HydrophobicContact CG1-CG1 4Å; V104-I123 HydrophobicContact CG2-CG1 4.19Å; V104-A126 HydrophobicContact CG2-CB 4.17Å
105E95.7Very high88.8Confident69 Ų6958.8 Ų58.832%0.32235%0.349SS..PPolyproline II helixtrans-60.8153.1179-69.9-64.8157.600112.4R84 D119 T347R84-E105 WeakPolarHBondContact CD-OE1 3.44Å; R84-E105 WeakPolarHBondContact CD-OE2 3.45Å; R84-E105 IonicContact CZ-OE1 3.13Å; R84-E105 IonicContact CZ-OE2 2.84Å; R84-E105 IonicContact NE-OE2 3.33Å; R84-E105 IonicContact NH1-OE1 2.72Å; R84-E105 PolarHBondContact NH1-OE1 3.47Å; R84-E105 IonicContact NH1-OE2 3.51Å; R84-E105 PolarHBondContact NH1-OE2 3.35Å; E105-D119 WeakPolarHBondContact O-CB 3.43Å; E105-T347 WeakPolarHBondContact OE2-CA 3.24Å
106Q95.1Very high88.7Confident4 Ų457.8 Ų57.82%0.01934%0.343CS..PPolyproline II helixtrans-80.9147.8169.5-55.8-62-7800110.5S83 R84 L116 R147 H346 T347S83-Q106 PolarHBondContact OG-NE2 2.76Å; R84-Q106 PolarHBondContact O-NE2 3.29Å; Q106-L116 HydrophobicContact CB-CB 3.84Å; Q106-L116 HydrophobicContact CB-CD1 4.22Å; Q106-L116 HydrophobicContact CB-CG 4.48Å; Q106-R147 HydrophobicContact CG-CG 4.19Å; Q106-H346 WeakPolarHBondContact CB-O 3.44Å; Q106-H346 HydrophobicContact CG-CB 4.26Å; Q106-H346 VanDerWaalsContact CG-O 3.28Å; Q106-H346 WeakPolarHBondContact CG-O 3.2Å; Q106-T347 PolarHBondContact O-OG1 2.8Å
107K91.8Very high88.7Confident95 Ų9553.5 Ų53.541%0.41333%0.325SS..EExtended strand (participates in β ladder)trans-99.7139.4176.6-80.1176.9169.5167.40111L116 E117 D119K107-L116 CarbonylContact O-C 3.6Å; K107-L116 WeakPolarHBondContact O-CA 3.07Å; K107-E117 PolarHBondContact N-O 3.34Å; K107-E117 PolarHBondContact O-N 3.33Å; K107-D119 HydrophobicContact CD-CB 3.81Å; K107-D119 VanDerWaalsContact CE-OD1 3.23Å; K107-D119 WeakPolarHBondContact CE-OD1 3.37Å; K107-D119 WeakPolarHBondContact CE-OD2 3.26Å; K107-D119 HydrophobicContact CG-CB 3.96Å; K107-D119 IonicContact NZ-OD1 3.5Å; K107-D119 PolarHBondContact NZ-OD1 2.84Å; K107-D119 IonicContact NZ-OD2 3.22Å; K107-D119 PolarHBondContact NZ-OD2 3.47Å; K107-D119 VanDerWaalsContact NZ-OD2 3.13Å
108P90.3Very high88.9Confident93 Ų9353.1 Ų53.160%0.60432%0.322SS*.EExtended strand (participates in β ladder)trans-55.9146.7164.3-21.933.4000110.7
109S86.2Confident89Confident10 Ų1051 Ų517%0.0730%0.295CS..PPolyproline II helixtrans-61.2146.2175.491.50000111N111 D113 Y115S109-N111 PolarHBondContact O-N 2.88Å; S109-D113 WeakPolarHBondContact OG-CB 3.48Å; S109-D113 PolarHBondContact OG-N 2.99Å; S109-D113 PolarHBondContact OG-O 2.85Å; S109-Y115 VanDerWaalsContact CB-CZ 3.49Å; S109-Y115 PolarHBondContact N-O 3.12Å
110A76.3Confident89.1Confident99 Ų9952.3 Ų52.382%0.81830%0.302SS*.THydrogen-bonded Turntrans-72.4-16.7-177.200000113.7G112A110-G112 VanDerWaalsContact C-N 3.32Å; A110-G112 PolarHBondContact O-N 2.98Å
111N69.2Low89.1Confident128 Ų12849.4 Ų49.468%0.68430%0.298SS*.THydrogen-bonded Turntrans-9111.1-168.2-62.8-13.2000113.6S109 D113S109-N111 PolarHBondContact O-N 2.88Å; N111-D113 PolarHBondContact O-N 2.94Å
112G64.5Low89.1Confident66 Ų6649.7 Ų49.768%0.6830%0.304SS*.SBendtrans78.8-7.8-171.800000113.9A110A110-G112 VanDerWaalsContact C-N 3.32Å; A110-G112 PolarHBondContact O-N 2.98Å
113D65.2Low89.2Confident84 Ų8448.2 Ų48.245%0.44930%0.295SS..  trans-67.6136.5171.4-60.3-39.7000109.9S109 N111 Y115S109-D113 WeakPolarHBondContact OG-CB 3.48Å; S109-D113 PolarHBondContact OG-N 2.99Å; S109-D113 PolarHBondContact OG-O 2.85Å; N111-D113 PolarHBondContact O-N 2.94Å; D113-Y115 HydrophobicContact CB-CD1 3.45Å; D113-Y115 VanDerWaalsContact CB-CD1 3.45Å; D113-Y115 HydrophobicContact CB-CE1 3.41Å; D113-Y115 VanDerWaalsContact CB-CE1 3.41Å; D113-Y115 PolarHBondContact O-N 2.77Å; D113-Y115 VanDerWaalsContact O-N 3.1Å
114Q80.7Confident89.2Confident81 Ų8151.9 Ų51.938%0.37930%0.304SS..SBendtrans-84.219.4-169.9-63.1-177.5-3.700113.8L282 R296Q114-L282 HydrophobicContact CB-CD2 3.75Å; Q114-L282 HydrophobicContact CG-CD2 4.43Å; Q114-R296 VanDerWaalsContact CD-NH2 3.31Å
115Y90.3Very high89.2Confident23 Ų2355.2 Ų55.29%0.0932%0.324CS..  trans-92.3164.4177.272.2-102.9000112.2S109 D113 E117 P146 L282 S284S109-Y115 VanDerWaalsContact CB-CZ 3.49Å; S109-Y115 PolarHBondContact N-O 3.12Å; D113-Y115 HydrophobicContact CB-CD1 3.45Å; D113-Y115 VanDerWaalsContact CB-CD1 3.45Å; D113-Y115 HydrophobicContact CB-CE1 3.41Å; D113-Y115 VanDerWaalsContact CB-CE1 3.41Å; D113-Y115 PolarHBondContact O-N 2.77Å; D113-Y115 VanDerWaalsContact O-N 3.1Å; Y115-E117 HydrophobicContact CD2-CG 3.97Å; Y115-E117 HydrophobicContact CE2-CG 3.45Å; Y115-E117 VanDerWaalsContact CE2-CG 3.45Å; Y115-E117 WeakPolarHBondContact CE2-OE1 3.49Å; Y115-E117 PolarHBondContact OH-OE1 3.39Å; Y115-P146 WeakPolarHBondContact CB-O 3.28Å; Y115-L282 WeakPolarHBondContact CA-O 3.44Å; Y115-L282 VanDerWaalsContact CB-O 3.24Å; Y115-L282 WeakPolarHBondContact CB-O 3.26Å; Y115-S284 VanDerWaalsContact CD2-CB 3.5Å; Y115-S284 VanDerWaalsContact CG-CB 3.48Å
116L94.1Very high89.3Confident10 Ų1052.6 Ų52.65%0.05231%0.314CS..EExtended strand (participates in β ladder)trans-107.9141.5-177.4-51.4170.8000112.4Q106 K107 P146 S148 S345 H346 T347Q106-L116 HydrophobicContact CB-CB 3.84Å; Q106-L116 HydrophobicContact CB-CD1 4.22Å; Q106-L116 HydrophobicContact CB-CG 4.48Å; K107-L116 CarbonylContact O-C 3.6Å; K107-L116 WeakPolarHBondContact O-CA 3.07Å; L116-P146 HydrophobicContact CD1-CG 4.15Å; L116-P146 HydrophobicContact CG-CG 4.28Å; L116-P146 PolarHBondContact N-O 2.97Å; L116-S148 WeakPolarHBondContact O-CB 3.37Å; L116-S148 PolarHBondContact O-N 2.88Å; L116-S148 PolarHBondContact O-OG 3.27Å; L116-S345 WeakPolarHBondContact CD1-O 3.49Å; L116-H346 HydrophobicContact CD1-CB 3.94Å; L116-T347 HydrophobicContact CD1-CG2 3.93Å; L116-T347 HydrophobicContact CD2-CG2 3.98Å
117E94.4Very high89.4Confident46 Ų4652.4 Ų52.422%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-124.2160.8-179.9-62.7-167.5173.600112.4K107 Y115 D119 K151K107-E117 PolarHBondContact N-O 3.34Å; K107-E117 PolarHBondContact O-N 3.33Å; Y115-E117 HydrophobicContact CD2-CG 3.97Å; Y115-E117 HydrophobicContact CE2-CG 3.45Å; Y115-E117 VanDerWaalsContact CE2-CG 3.45Å; Y115-E117 WeakPolarHBondContact CE2-OE1 3.49Å; Y115-E117 PolarHBondContact OH-OE1 3.39Å; E117-D119 PolarHBondContact O-N 2.54Å; E117-K151 WeakPolarHBondContact OE2-CE 3.36Å; E117-K151 IonicContact OE2-NZ 3.63Å; E117-K151 PolarHBondContact OE2-NZ 3.24Å
118T96.6Very high89.6Confident8 Ų850.3 Ų50.35%0.04931%0.31CS..  trans-60.1129.8173.5-510000112L120 I123 D150 K151 I155T118-L120 HydrophobicContact CG2-CD2 4.04Å; T118-L120 HydrophobicContact CG2-CG 4.31Å; T118-L120 PolarHBondContact O-N 3.1Å; T118-L120 VanDerWaalsContact O-N 3.16Å; T118-I123 HydrophobicContact CG2-CD1 3.6Å; T118-D150 WeakPolarHBondContact CG2-OD1 3.21Å; T118-D150 WeakPolarHBondContact OG1-CA 3.48Å; T118-D150 PolarHBondContact OG1-OD1 2.91Å; T118-K151 PolarHBondContact OG1-N 3.22Å; T118-I155 HydrophobicContact CG2-CD1 3.95Å; T118-I155 HydrophobicContact CG2-CG1 4.3Å
119D96.9Very high89.4Confident23 Ų2351.8 Ų51.812%0.12331%0.313CS..  trans-82.184.9166.4-173.25.3000112.3V104 E105 K107 E117 A121 G122 I123V104-D119 HydrophobicContact CG1-CB 3.95Å; E105-D119 WeakPolarHBondContact O-CB 3.43Å; K107-D119 HydrophobicContact CD-CB 3.81Å; K107-D119 VanDerWaalsContact CE-OD1 3.23Å; K107-D119 WeakPolarHBondContact CE-OD1 3.37Å; K107-D119 WeakPolarHBondContact CE-OD2 3.26Å; K107-D119 HydrophobicContact CG-CB 3.96Å; K107-D119 IonicContact NZ-OD1 3.5Å; K107-D119 PolarHBondContact NZ-OD1 2.84Å; K107-D119 IonicContact NZ-OD2 3.22Å; K107-D119 PolarHBondContact NZ-OD2 3.47Å; K107-D119 VanDerWaalsContact NZ-OD2 3.13Å; E117-D119 PolarHBondContact O-N 2.54Å; D119-A121 PolarHBondContact O-N 3.03Å; D119-A121 PolarHBondContact OD1-N 3.23Å; D119-A121 VanDerWaalsContact OD1-N 3.12Å; D119-G122 PolarHBondContact O-N 3.5Å; D119-G122 PolarHBondContact OD1-N 2.98Å; D119-G122 WeakPolarHBondContact OD2-CA 3.29Å; D119-G122 PolarHBondContact OD2-N 3.09Å; D119-I123 WeakPolarHBondContact O-CG1 3.09Å; D119-I123 PolarHBondContact O-N 2.81Å
120L97.7Very high89.7Confident45 Ų4553 Ų5324%0.23632%0.322CS..Hα-helixtrans-61.2-32.1176.7-68.2172.2000113.1T118 R124 K151 Q154 I155 L158T118-L120 HydrophobicContact CG2-CD2 4.04Å; T118-L120 HydrophobicContact CG2-CG 4.31Å; T118-L120 PolarHBondContact O-N 3.1Å; T118-L120 VanDerWaalsContact O-N 3.16Å; L120-R124 WeakPolarHBondContact O-CB 3.37Å; L120-R124 PolarHBondContact O-N 3.14Å; L120-K151 HydrophobicContact CD1-CB 4.48Å; L120-K151 HydrophobicContact CD1-CD 4.06Å; L120-K151 HydrophobicContact CD2-CB 4.37Å; L120-Q154 HydrophobicContact CD1-CB 3.63Å; L120-Q154 HydrophobicContact CD1-CG 3.95Å; L120-Q154 HydrophobicContact CD2-CB 3.7Å; L120-Q154 HydrophobicContact CG-CB 4.34Å; L120-I155 HydrophobicContact CD2-CG1 3.87Å; L120-L158 HydrophobicContact CD2-CD1 4.12Å
121A97.3Very high90.6Very high57 Ų5749.8 Ų49.847%0.47129%0.293SS..Hα-helixtrans-71-45.117800000110.6D119 I123 R124 T125D119-A121 PolarHBondContact O-N 3.03Å; D119-A121 PolarHBondContact OD1-N 3.23Å; D119-A121 VanDerWaalsContact OD1-N 3.12Å; A121-I123 PolarHBondContact O-N 3.38Å; A121-R124 WeakPolarHBondContact O-CB 3.42Å; A121-R124 PolarHBondContact O-N 3Å; A121-T125 PolarHBondContact O-N 2.98Å; A121-T125 PolarHBondContact O-OG1 3.01Å
122G97.4Very high91.8Very high18 Ų1849.8 Ų49.819%0.18629%0.289CS..Hα-helixtrans-60.2-42.9174.500000112.5D119 T125 A126D119-G122 PolarHBondContact O-N 3.5Å; D119-G122 PolarHBondContact OD1-N 2.98Å; D119-G122 WeakPolarHBondContact OD2-CA 3.29Å; D119-G122 PolarHBondContact OD2-N 3.09Å; G122-T125 PolarHBondContact O-N 3.13Å; G122-A126 WeakPolarHBondContact O-CB 3.11Å; G122-A126 PolarHBondContact O-N 3.27Å
123I98.2Very high93.4Very high0 Ų050.4 Ų50.40%027%0.274CS..Hα-helixtrans-61.1-47.9173.5-67.7174.8000110.6V81 V104 T118 D119 A121 T125 A126 I127 V137 I155 L158V81-I123 HydrophobicContact CG1-CG2 4.5Å; V104-I123 HydrophobicContact CB-CG1 4.27Å; V104-I123 HydrophobicContact CG1-CG1 4Å; V104-I123 HydrophobicContact CG2-CG1 4.19Å; T118-I123 HydrophobicContact CG2-CD1 3.6Å; D119-I123 WeakPolarHBondContact O-CG1 3.09Å; D119-I123 PolarHBondContact O-N 2.81Å; A121-I123 PolarHBondContact O-N 3.38Å; I123-T125 PolarHBondContact O-N 3.32Å; I123-A126 PolarHBondContact O-N 2.87Å; I123-I127 HydrophobicContact CG2-CD1 3.64Å; I123-I127 HydrophobicContact CG2-CG1 4.5Å; I123-I127 WeakPolarHBondContact O-CD1 3.28Å; I123-I127 VanDerWaalsContact O-CG1 3.26Å; I123-I127 WeakPolarHBondContact O-CG1 3.39Å; I123-I127 PolarHBondContact O-N 3.41Å; I123-I127 VanDerWaalsContact O-N 3.12Å; I123-V137 HydrophobicContact CG2-CG1 4.19Å; I123-I155 HydrophobicContact CD1-CD1 3.85Å; I123-I155 HydrophobicContact CD1-CG1 3.94Å; I123-L158 HydrophobicContact CG2-CD1 4.28Å
124R98.3Very high95Very high120 Ų12046.4 Ų46.445%0.45325%0.253SS..Hα-helixtrans-57.2-47.5177.5175.4177.3-77.2-118.2-3.7111.4L120 A121 I127 S128 L158 F162L120-R124 WeakPolarHBondContact O-CB 3.37Å; L120-R124 PolarHBondContact O-N 3.14Å; A121-R124 WeakPolarHBondContact O-CB 3.42Å; A121-R124 PolarHBondContact O-N 3Å; R124-I127 PolarHBondContact O-N 3.31Å; R124-S128 WeakPolarHBondContact O-CB 3.39Å; R124-S128 PolarHBondContact O-N 3.15Å; R124-S128 PolarHBondContact O-OG 3.49Å; R124-L158 HydrophobicContact CB-CD1 4.45Å; R124-L158 HydrophobicContact CB-CD2 4.24Å; R124-L158 HydrophobicContact CG-CD2 4.44Å; R124-L158 VanDerWaalsContact NE-CD2 3.35Å; R124-F162 HydrophobicContact CG-CE2 4.09Å; R124-F162 HydrophobicContact CG-CZ 4.17Å
125T97.7Very high95.8Very high81 Ų8142.6 Ų42.650%0.49724%0.235SC..Hα-helixtrans-62.3-42178.3-62.60000112.3A121 G122 I123 I127 S128A121-T125 PolarHBondContact O-N 2.98Å; A121-T125 PolarHBondContact O-OG1 3.01Å; G122-T125 PolarHBondContact O-N 3.13Å; I123-T125 PolarHBondContact O-N 3.32Å; T125-I127 PolarHBondContact O-N 2.94Å; T125-S128 PolarHBondContact O-N 2.85Å; T125-S128 PolarHBondContact O-OG 3.35Å
126A97.3Very high96.2Very high13 Ų1341.5 Ų41.511%0.10723%0.23CC..Hα-helixtrans-62.9-31.5178.500000112.7V81 V102 V104 G122 I123V81-A126 HydrophobicContact CG1-CB 3.77Å; V81-A126 HydrophobicContact CG2-CB 3.89Å; V102-A126 HydrophobicContact CG1-CB 3.88Å; V104-A126 HydrophobicContact CG2-CB 4.17Å; G122-A126 WeakPolarHBondContact O-CB 3.11Å; G122-A126 PolarHBondContact O-N 3.27Å; I123-A126 PolarHBondContact O-N 2.87Å
127I97.4Very high96.4Very high0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-84.3-44.3178.5-60.6162.3000111.7V81 I123 R124 T125 N129 S130 P131 V137 F162 V164V81-I127 HydrophobicContact CG2-CG1 4.27Å; I123-I127 HydrophobicContact CG2-CD1 3.64Å; I123-I127 HydrophobicContact CG2-CG1 4.5Å; I123-I127 WeakPolarHBondContact O-CD1 3.28Å; I123-I127 VanDerWaalsContact O-CG1 3.26Å; I123-I127 WeakPolarHBondContact O-CG1 3.39Å; I123-I127 PolarHBondContact O-N 3.41Å; I123-I127 VanDerWaalsContact O-N 3.12Å; R124-I127 PolarHBondContact O-N 3.31Å; T125-I127 PolarHBondContact O-N 2.94Å; I127-N129 VanDerWaalsContact C-N 3.26Å; I127-N129 PolarHBondContact O-N 3.45Å; I127-N129 VanDerWaalsContact O-N 3.15Å; I127-S130 CarbonylContact O-C 3.55Å; I127-S130 PolarHBondContact O-N 2.65Å; I127-P131 HydrophobicContact CG2-CB 4.4Å; I127-P131 HydrophobicContact CG2-CG 4.49Å; I127-P131 WeakPolarHBondContact O-CD 3.34Å; I127-P131 WeakPolarHBondContact O-CG 3.2Å; I127-V137 HydrophobicContact CD1-CG2 3.49Å; I127-V137 VanDerWaalsContact CD1-CG2 3.49Å; I127-V137 HydrophobicContact CG1-CG2 3.99Å; I127-F162 HydrophobicContact CB-CD2 4.42Å; I127-F162 HydrophobicContact CG2-CB 3.51Å; I127-F162 HydrophobicContact CG2-CD1 4.13Å; I127-F162 HydrophobicContact CG2-CD2 3.82Å; I127-F162 HydrophobicContact CG2-CG 3.55Å; I127-V164 HydrophobicContact CG2-CG2 3.83Å
128S94.6Very high96.6Very high51 Ų5139 Ų3936%0.35722%0.219SC..Hα-helixtrans-61.9-29-165.558.60000114.6R124 T125R124-S128 WeakPolarHBondContact O-CB 3.39Å; R124-S128 PolarHBondContact O-N 3.15Å; R124-S128 PolarHBondContact O-OG 3.49Å; T125-S128 PolarHBondContact O-N 2.85Å; T125-S128 PolarHBondContact O-OG 3.35Å
129N86.3Confident96.7Very high124 Ų12438.6 Ų38.666%0.66322%0.216SC*.THydrogen-bonded Turntrans-70.4-40.6-174.5-67.8-10.8000112.8I127I127-N129 VanDerWaalsContact C-N 3.26Å; I127-N129 PolarHBondContact O-N 3.45Å; I127-N129 VanDerWaalsContact O-N 3.15Å
130S92.5Very high96.8Very high36 Ų3637.5 Ų37.525%0.25221%0.21SC..  trans-151.677175.1-18.10000111.2R79 I127 Q132 E133R79-S130 PolarHBondContact NH2-OG 3.47Å; I127-S130 CarbonylContact O-C 3.55Å; I127-S130 PolarHBondContact O-N 2.65Å; S130-Q132 PolarHBondContact O-N 3.36Å; S130-Q132 VanDerWaalsContact O-N 3.08Å; S130-E133 WeakPolarHBondContact CB-OE2 3.47Å; S130-E133 PolarHBondContact O-N 3.27Å; S130-E133 PolarHBondContact OG-OE2 3.49Å
131P95.4Very high96.8Very high32 Ų3235.5 Ų35.521%0.20820%0.2CC..G310 helixtrans-56.5-30.1-177.1-25.833.5000114R74 I127 E133 V134 F162 V164R74-P131 PolarHBondContact NH2-O 2.99Å; I127-P131 HydrophobicContact CG2-CB 4.4Å; I127-P131 HydrophobicContact CG2-CG 4.49Å; I127-P131 WeakPolarHBondContact O-CD 3.34Å; I127-P131 WeakPolarHBondContact O-CG 3.2Å; P131-E133 VanDerWaalsContact C-N 3.31Å; P131-E133 PolarHBondContact O-N 3.29Å; P131-V134 PolarHBondContact O-N 2.82Å; P131-F162 HydrophobicContact CB-CB 4.45Å; P131-F162 HydrophobicContact CG-CD1 4.05Å; P131-V164 HydrophobicContact CB-CG2 4.2Å
132Q95.7Very high96.8Very high128 Ų12832.9 Ų32.960%0.59818%0.178SC*.G310 helixtrans-71.4-23.1179.3-59.7-58.5-3.700114.3R74 S130R74-Q132 VanDerWaalsContact NH2-OE1 3.14Å; S130-Q132 PolarHBondContact O-N 3.36Å; S130-Q132 VanDerWaalsContact O-N 3.08Å
133E97.2Very high96.8Very high79 Ų7932 Ų3237%0.36917%0.169SC..G310 helixtrans-84.7-15175.1-66.3174.6-172.300112.1A77 T78 R79 S130 P131 L135A77-E133 CarbonylContact C-O 3.15Å; A77-E133 VanDerWaalsContact CA-O 3.32Å; A77-E133 WeakPolarHBondContact CA-O 3.38Å; T78-E133 PolarHBondContact N-O 3.49Å; R79-E133 IonicContact CZ-OE2 3.8Å; R79-E133 PolarHBondContact N-O 2.9Å; R79-E133 IonicContact NE-OE2 3.82Å; R79-E133 PolarHBondContact NE-OE2 3.12Å; R79-E133 IonicContact NH2-OE2 3.66Å; R79-E133 PolarHBondContact NH2-OE2 3.25Å; S130-E133 WeakPolarHBondContact CB-OE2 3.47Å; S130-E133 PolarHBondContact O-N 3.27Å; S130-E133 PolarHBondContact OG-OE2 3.49Å; P131-E133 VanDerWaalsContact C-N 3.31Å; P131-E133 PolarHBondContact O-N 3.29Å; E133-L135 PolarHBondContact O-N 3.36Å
134V98.2Very high96.7Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-81.7119.7178.6-175.40000109.7R74 R79 V81 P131 C136 V164R74-V134 PolarHBondContact NE-O 3.02Å; R79-V134 WeakPolarHBondContact O-CA 3.36Å; V81-V134 HydrophobicContact CB-CG1 4.49Å; V81-V134 HydrophobicContact CG2-CG1 3.86Å; V81-V134 HydrophobicContact CG2-CG2 4.15Å; P131-V134 PolarHBondContact O-N 2.82Å; V134-C136 WeakPolarHBondContact CG1-O 3.5Å; V134-V164 HydrophobicContact CB-CG1 4.11Å; V134-V164 HydrophobicContact CB-CG2 4.26Å; V134-V164 HydrophobicContact CG1-CG1 3.56Å
135L98.5Very high96.6Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-69.4-51.3175.8176.363.8000110.2L67 L70 R71 R74 A77 R79 I80 L99 E133 P165L67-L135 HydrophobicContact CB-CD2 4.23Å; L67-L135 HydrophobicContact CD2-CD2 3.94Å; L70-L135 VanDerWaalsContact C-CD1 3.47Å; L70-L135 HydrophobicContact CB-CD1 3.78Å; L70-L135 HydrophobicContact CB-CG 4.22Å; R71-L135 HydrophobicContact CB-CD1 4.14Å; R74-L135 HydrophobicContact CB-CD1 4.25Å; A77-L135 VanDerWaalsContact CB-CA 3.48Å; A77-L135 HydrophobicContact CB-CB 3.74Å; A77-L135 HydrophobicContact CB-CD1 4.08Å; R79-L135 WeakPolarHBondContact O-CB 3.45Å; R79-L135 PolarHBondContact O-N 2.87Å; I80-L135 HydrophobicContact CD1-CD2 4.37Å; I80-L135 HydrophobicContact CG1-CB 4.25Å; I80-L135 HydrophobicContact CG1-CD2 4.16Å; L99-L135 HydrophobicContact CD1-CB 4.16Å; L99-L135 HydrophobicContact CD1-CD2 3.38Å; L99-L135 HydrophobicContact CD1-CG 4.3Å; E133-L135 PolarHBondContact O-N 3.36Å; L135-P165 VanDerWaalsContact O-CD 3.3Å; L135-P165 WeakPolarHBondContact O-CD 3.41Å; L135-P165 VanDerWaalsContact O-CG 3.32Å; L135-P165 WeakPolarHBondContact O-CG 3.5Å
136C98.6Very high96.4Very high0 Ų025.8 Ų25.80%014%0.14CC..EExtended strand (participates in β ladder)trans-164.3166.9175.966.80000111.4L67 L70 V81 V134 P165L67-C136 WeakPolarHBondContact CD2-SG 3.39Å; L70-C136 HydrophobicContact CD1-CB 3.85Å; V81-C136 PolarHBondContact N-O 3.17Å; V81-C136 VanDerWaalsContact N-O 3.1Å; V134-C136 WeakPolarHBondContact CG1-O 3.5Å; C136-P165 CarbonylContact C-O 3.03Å; C136-P165 WeakPolarHBondContact CA-O 3.3Å; C136-P165 HydrophobicContact CB-CB 3.98Å; C136-P165 WeakPolarHBondContact CB-O 3.22Å
137V98.7Very high96.3Very high0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-95129.4161.1-176.90000108.6V81 I123 I127 I155 C159 V164 P165 H166 L167V81-V137 HydrophobicContact CB-CG2 4.3Å; V81-V137 CarbonylContact O-C 3.24Å; V81-V137 VanDerWaalsContact O-CA 3.32Å; V81-V137 WeakPolarHBondContact O-CA 3.37Å; I123-V137 HydrophobicContact CG2-CG1 4.19Å; I127-V137 HydrophobicContact CD1-CG2 3.49Å; I127-V137 VanDerWaalsContact CD1-CG2 3.49Å; I127-V137 HydrophobicContact CG1-CG2 3.99Å; V137-I155 HydrophobicContact CB-CG2 4.42Å; V137-I155 HydrophobicContact CG1-CG2 3.76Å; V137-C159 VanDerWaalsContact CG2-SG 3.57Å; V137-V164 HydrophobicContact CG2-CG1 4.13Å; V137-P165 PolarHBondContact N-O 2.86Å; V137-H166 PolarHBondContact O-CD2 3.06Å; V137-L167 PolarHBondContact O-N 2.87Å
138I98.7Very high96.3Very high4 Ų425.5 Ų25.52%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-104.4116.2172.2-54.5-173.9000109.6L67 I80 V81 S83 M94 L167L67-I138 HydrophobicContact CD1-CD1 4.28Å; L67-I138 HydrophobicContact CD2-CD1 3.93Å; I80-I138 HydrophobicContact CG2-CD1 3.64Å; I80-I138 HydrophobicContact CG2-CG1 3.78Å; V81-I138 PolarHBondContact O-N 2.66Å; S83-I138 PolarHBondContact N-O 3.17Å; S83-I138 VanDerWaalsContact N-O 3.08Å; M94-I138 HydrophobicContact CG-CD1 3.67Å; M94-I138 HydrophobicContact SD-CD1 3.67Å; I138-L167 WeakPolarHBondContact CA-O 3.12Å; I138-L167 HydrophobicContact CD1-CD2 4.24Å; I138-L167 HydrophobicContact CG1-CB 4.37Å; I138-L167 HydrophobicContact CG1-CD2 4.31Å
139S98.7Very high96.4Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-108.6160.8172.567.70000111D150 H166 L167 N169S139-D150 WeakPolarHBondContact CA-OD2 3.37Å; S139-H166 PolarHBondContact OG-NE2 3.39Å; S139-L167 PolarHBondContact N-O 3Å; S139-L167 VanDerWaalsContact N-O 3.1Å; S139-N169 WeakPolarHBondContact O-CB 3.46Å; S139-N169 PolarHBondContact O-N 3.33Å
140T98.7Very high97Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-132.6123.3179.6-53.60000110.9I85 C143 R147 D150 N169I85-T140 HydrophobicContact CD1-CG2 3.67Å; I85-T140 HydrophobicContact CG2-CG2 4.38Å; T140-C143 HydrophobicContact CG2-CB 4.44Å; T140-R147 PolarHBondContact O-NH1 3.3Å; T140-D150 PolarHBondContact N-OD2 2.95Å; T140-D150 WeakPolarHBondContact O-CB 3.39Å; T140-D150 PolarHBondContact O-N 3Å; T140-N169 WeakPolarHBondContact CA-O 3.44Å; T140-N169 HydrophobicContact CG2-CB 4.23Å
141T98.3Very high97.2Very high2 Ų219.7 Ų19.71%0.01210%0.096CC..SBendtrans-90.5-53.7178.851.70000111.6C143 P149 V152 I168 N169 N170 I179 I183T141-C143 PolarHBondContact O-N 3.08Å; T141-P149 WeakPolarHBondContact O-CA 3.47Å; T141-P149 WeakPolarHBondContact O-CB 3.34Å; T141-P149 VanDerWaalsContact O-CG 3.26Å; T141-P149 WeakPolarHBondContact O-CG 3.19Å; T141-V152 HydrophobicContact CG2-CG1 3.74Å; T141-V152 HydrophobicContact CG2-CG2 4.48Å; T141-I168 HydrophobicContact CG2-CG2 3.74Å; T141-N169 PolarHBondContact N-O 3.33Å; T141-N169 VanDerWaalsContact N-O 3.15Å; T141-N169 PolarHBondContact OG1-O 3.24Å; T141-N170 WeakPolarHBondContact OG1-CA 3.28Å; T141-N170 PolarHBondContact OG1-OD1 3.34Å; T141-I179 HydrophobicContact CG2-CG2 4.05Å; T141-I183 HydrophobicContact CG2-CD1 4.11Å; T141-I183 HydrophobicContact CG2-CG1 4.07Å
142S96.8Very high97.4Very high3 Ų318.3 Ų18.32%0.0219%0.087CC..SBendtrans-87.2105.4-179.164.50000110.3A171 Y172S142-A171 PolarHBondContact OG-N 2.98Å; S142-Y172 WeakPolarHBondContact O-CE1 3.46Å; S142-Y172 VanDerWaalsContact O-CZ 3.28Å; S142-Y172 PolarHBondContact O-OH 3.48Å; S142-Y172 WeakPolarHBondContact OG-CD1 3.45Å; S142-Y172 PolarHBondContact OG-N 3.46Å
143C97.1Very high97.5Very high0 Ų013.1 Ų13.10%06%0.064CC..  trans-137.7159-173.560.20000113I85 T140 T141 R147 S148 Y172 N287I85-C143 HydrophobicContact CD1-CB 3.54Å; T140-C143 HydrophobicContact CG2-CB 4.44Å; T141-C143 PolarHBondContact O-N 3.08Å; C143-R147 HydrophobicContact CB-CG 4.41Å; C143-R147 PolarHBondContact SG-O 3Å; C143-S148 PolarHBondContact SG-O 3.15Å; C143-Y172 WeakPolarHBondContact CA-OH 3.31Å; C143-Y172 PolarHBondContact N-OH 3.43Å; C143-Y172 VanDerWaalsContact N-OH 3.14Å; C143-Y172 PolarHBondContact O-OH 3.06Å; C143-N287 PolarHBondContact O-ND2 2.83Å
144F95.7Very high97.6Very high61 Ų6113.1 Ų13.127%0.2686%0.064SC..  trans-73.5136.2173.4-63.3-58.4000109.8R147 Y172 H346 V356F144-R147 WeakPolarHBondContact O-CB 3.03Å; F144-R147 PolarHBondContact O-N 2.88Å; F144-Y172 PolarHBondContact N-OH 2.93Å; F144-H346 PolarHBondContact O-NE2 3.41Å; F144-V356 HydrophobicContact CB-CG1 4.15Å; F144-V356 HydrophobicContact CD1-CG1 4.1Å; F144-V356 HydrophobicContact CG-CG1 4.49Å
145A95.7Very high97.6Very high0 Ų013.1 Ų13.10%06%0.064CC..THydrogen-bonded Turntrans-61.1151168.800000110.3R147 S290 A292 V356A145-R147 VanDerWaalsContact C-N 3.34Å; A145-S290 PolarHBondContact N-OG 2.85Å; A145-A292 HydrophobicContact CB-CB 3.58Å; A145-V356 WeakPolarHBondContact O-CG2 3.16Å
146P94.8Very high97.6Very high9 Ų913.1 Ų13.16%0.0586%0.064CC..THydrogen-bonded Turncis-81.1010.933.6-37000114.6Y115 L116 L282 A292 Y354Y115-P146 WeakPolarHBondContact CB-O 3.28Å; L116-P146 HydrophobicContact CD1-CG 4.15Å; L116-P146 HydrophobicContact CG-CG 4.28Å; L116-P146 PolarHBondContact N-O 2.97Å; P146-L282 HydrophobicContact CB-CB 4.22Å; P146-L282 WeakPolarHBondContact CB-O 3.2Å; P146-A292 HydrophobicContact CB-CB 4.46Å; P146-Y354 VanDerWaalsContact CD-CE2 3.48Å; P146-Y354 VanDerWaalsContact CD-OH 3.32Å; P146-Y354 WeakPolarHBondContact CD-OH 3.41Å; P146-Y354 HydrophobicContact CG-CE1 4.34Å
147R95.7Very high97.6Very high0 Ų016.9 Ų16.90%08%0.082CC..BIsolated β-bridgetrans-66.1138.1174.2-170-173.7-174.2-77.513.1111S83 R84 Q106 T140 C143 F144 A145 D150 N287 H346S83-R147 PolarHBondContact O-NH2 2.81Å; S83-R147 PolarHBondContact OG-NH2 3.18Å; S83-R147 VanDerWaalsContact OG-NH2 3.13Å; R84-R147 PolarHBondContact O-NE 2.76Å; Q106-R147 HydrophobicContact CG-CG 4.19Å; T140-R147 PolarHBondContact O-NH1 3.3Å; C143-R147 HydrophobicContact CB-CG 4.41Å; C143-R147 PolarHBondContact SG-O 3Å; F144-R147 WeakPolarHBondContact O-CB 3.03Å; F144-R147 PolarHBondContact O-N 2.88Å; A145-R147 VanDerWaalsContact C-N 3.34Å; R147-D150 IonicContact CZ-OD1 2.71Å; R147-D150 IonicContact CZ-OD2 3.86Å; R147-D150 IonicContact NH1-OD2 3.82Å; R147-D150 IonicContact NH2-OD1 2.78Å; R147-D150 PolarHBondContact NH2-OD1 2.83Å; R147-D150 IonicContact NH2-OD2 2.75Å; R147-D150 PolarHBondContact NH2-OD2 2.82Å; R147-N287 PolarHBondContact O-ND2 3.36Å; R147-H346 HydrophobicContact CB-CB 4.33Å
148S95.5Very high97.6Very high6 Ų617.4 Ų17.44%0.0428%0.084CC..PPolyproline II helixtrans-91.4159.9170-60.40000111.1L116 C143 D150 S284L116-S148 WeakPolarHBondContact O-CB 3.37Å; L116-S148 PolarHBondContact O-N 2.88Å; L116-S148 PolarHBondContact O-OG 3.27Å; C143-S148 PolarHBondContact SG-O 3.15Å; S148-D150 PolarHBondContact O-N 3.02Å; S148-S284 WeakPolarHBondContact OG-CB 3.43Å
149P97.5Very high97.6Very high13 Ų1317.2 Ų17.28%0.0848%0.083CC..PPolyproline II helixtrans-48.9140.2165.7-26.534.1000110.7T141 I179 A286T141-P149 WeakPolarHBondContact O-CA 3.47Å; T141-P149 WeakPolarHBondContact O-CB 3.34Å; T141-P149 VanDerWaalsContact O-CG 3.26Å; T141-P149 WeakPolarHBondContact O-CG 3.19Å; P149-I179 HydrophobicContact CG-CD1 4.32Å; P149-I179 HydrophobicContact CG-CG1 4.25Å; P149-A286 WeakPolarHBondContact CD-O 3.4Å
150D98.2Very high97.6Very high4 Ų420.4 Ų20.42%0.02111%0.106CC..PPolyproline II helixtrans-58.6149.3176.7-89.1-47000111.3S83 T118 S139 T140 R147 S148 V152 I155S83-D150 WeakPolarHBondContact CB-OD2 3.49Å; S83-D150 PolarHBondContact OG-OD1 3.18Å; S83-D150 PolarHBondContact OG-OD2 2.94Å; T118-D150 WeakPolarHBondContact CG2-OD1 3.21Å; T118-D150 WeakPolarHBondContact OG1-CA 3.48Å; T118-D150 PolarHBondContact OG1-OD1 2.91Å; S139-D150 WeakPolarHBondContact CA-OD2 3.37Å; T140-D150 PolarHBondContact N-OD2 2.95Å; T140-D150 WeakPolarHBondContact O-CB 3.39Å; T140-D150 PolarHBondContact O-N 3Å; R147-D150 IonicContact CZ-OD1 2.71Å; R147-D150 IonicContact CZ-OD2 3.86Å; R147-D150 IonicContact NH1-OD2 3.82Å; R147-D150 IonicContact NH2-OD1 2.78Å; R147-D150 PolarHBondContact NH2-OD1 2.83Å; R147-D150 IonicContact NH2-OD2 2.75Å; R147-D150 PolarHBondContact NH2-OD2 2.82Å; S148-D150 PolarHBondContact O-N 3.02Å; D150-V152 HydrophobicContact CB-CG1 4.04Å; D150-V152 PolarHBondContact O-N 3.11Å; D150-I155 HydrophobicContact CB-CD1 3.85Å
151K97.8Very high97.5Very high73 Ų7325.7 Ų25.732%0.31713%0.134SC..  trans-70.162.9170.9-69.7-177.7-176.3170.30110.7E117 T118 L120 V153 Q154 I155E117-K151 WeakPolarHBondContact OE2-CE 3.36Å; E117-K151 IonicContact OE2-NZ 3.63Å; E117-K151 PolarHBondContact OE2-NZ 3.24Å; T118-K151 PolarHBondContact OG1-N 3.22Å; L120-K151 HydrophobicContact CD1-CB 4.48Å; L120-K151 HydrophobicContact CD1-CD 4.06Å; L120-K151 HydrophobicContact CD2-CB 4.37Å; K151-V153 PolarHBondContact O-N 3.2Å; K151-Q154 HydrophobicContact CB-CB 4.43Å; K151-Q154 PolarHBondContact O-N 2.98Å; K151-Q154 VanDerWaalsContact O-N 3.1Å; K151-Q154 PolarHBondContact O-OE1 2.87Å; K151-I155 WeakPolarHBondContact O-CG1 3.26Å; K151-I155 PolarHBondContact O-N 3.31Å
152V98.6Very high97.5Very high2 Ų228.2 Ų28.21%0.01215%0.145CC..Hα-helixtrans-61.2-29.8-168.3-69.90000113.4T141 D150 I155 A156 I168 D182 A186T141-V152 HydrophobicContact CG2-CG1 3.74Å; T141-V152 HydrophobicContact CG2-CG2 4.48Å; D150-V152 HydrophobicContact CB-CG1 4.04Å; D150-V152 PolarHBondContact O-N 3.11Å; V152-I155 PolarHBondContact O-N 3.14Å; V152-A156 VanDerWaalsContact O-CB 3.23Å; V152-A156 WeakPolarHBondContact O-CB 3.41Å; V152-A156 PolarHBondContact O-N 2.77Å; V152-I168 HydrophobicContact CB-CD1 4.31Å; V152-I168 HydrophobicContact CG1-CD1 4.27Å; V152-I168 HydrophobicContact CG1-CG2 4.46Å; V152-D182 HydrophobicContact CG2-CB 3.85Å; V152-A186 HydrophobicContact CB-CB 4.24Å; V152-A186 HydrophobicContact CG2-CB 4.13Å
153V98.6Very high97.5Very high20 Ų2029.7 Ų29.712%0.12116%0.161CC..Hα-helixtrans-63.3-47175.6-1770000110.7K151 A156 Q157 Q185 A186 R189K151-V153 PolarHBondContact O-N 3.2Å; V153-A156 PolarHBondContact O-N 3.19Å; V153-Q157 WeakPolarHBondContact O-CG 3.46Å; V153-Q157 PolarHBondContact O-N 2.96Å; V153-Q157 VanDerWaalsContact O-N 3.09Å; V153-Q185 HydrophobicContact CG2-CB 3.79Å; V153-A186 HydrophobicContact CG2-CB 4.31Å; V153-R189 HydrophobicContact CG1-CB 4.25Å
154Q98.6Very high97.6Very high79 Ų7929.7 Ų29.737%0.36916%0.161SC..Hα-helixtrans-71.1-36.9178.3-6586.9-20.700111.6L120 K151 A156 Q157 L158L120-Q154 HydrophobicContact CD1-CB 3.63Å; L120-Q154 HydrophobicContact CD1-CG 3.95Å; L120-Q154 HydrophobicContact CD2-CB 3.7Å; L120-Q154 HydrophobicContact CG-CB 4.34Å; K151-Q154 HydrophobicContact CB-CB 4.43Å; K151-Q154 PolarHBondContact O-N 2.98Å; K151-Q154 VanDerWaalsContact O-N 3.1Å; K151-Q154 PolarHBondContact O-OE1 2.87Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-Q157 PolarHBondContact O-N 2.97Å; Q154-L158 WeakPolarHBondContact O-CG 3.5Å; Q154-L158 PolarHBondContact O-N 2.71Å
155I98.8Very high97.7Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-62.5-43.7172.9-62.6172.5000110.4T118 L120 I123 V137 D150 K151 V152 Q157 L158 C159 H166T118-I155 HydrophobicContact CG2-CD1 3.95Å; T118-I155 HydrophobicContact CG2-CG1 4.3Å; L120-I155 HydrophobicContact CD2-CG1 3.87Å; I123-I155 HydrophobicContact CD1-CD1 3.85Å; I123-I155 HydrophobicContact CD1-CG1 3.94Å; V137-I155 HydrophobicContact CB-CG2 4.42Å; V137-I155 HydrophobicContact CG1-CG2 3.76Å; D150-I155 HydrophobicContact CB-CD1 3.85Å; K151-I155 WeakPolarHBondContact O-CG1 3.26Å; K151-I155 PolarHBondContact O-N 3.31Å; V152-I155 PolarHBondContact O-N 3.14Å; I155-Q157 VanDerWaalsContact C-N 3.3Å; I155-Q157 PolarHBondContact O-N 3.2Å; I155-L158 WeakPolarHBondContact O-CB 3.34Å; I155-L158 PolarHBondContact O-N 3.38Å; I155-C159 WeakPolarHBondContact O-CB 3.44Å; I155-C159 PolarHBondContact O-N 3.38Å; I155-C159 PolarHBondContact O-SG 3.26Å; I155-H166 WeakPolarHBondContact CG2-NE2 3.42Å
156A98.8Very high97.8Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-62.3-38.4178.600000111.8V152 V153 Q154 C159 S160 A186 G190 R191 V192V152-A156 VanDerWaalsContact O-CB 3.23Å; V152-A156 WeakPolarHBondContact O-CB 3.41Å; V152-A156 PolarHBondContact O-N 2.77Å; V153-A156 PolarHBondContact O-N 3.19Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; A156-C159 PolarHBondContact O-N 2.9Å; A156-S160 WeakPolarHBondContact O-CB 3.33Å; A156-S160 PolarHBondContact O-N 3.39Å; A156-A186 HydrophobicContact CB-CB 3.87Å; A156-A186 WeakPolarHBondContact CB-O 3.41Å; A156-G190 WeakPolarHBondContact O-CA 3.35Å; A156-R191 WeakPolarHBondContact CA-O 3.46Å; A156-R191 WeakPolarHBondContact CB-O 3.37Å; A156-R191 PolarHBondContact O-N 3.37Å; A156-V192 HydrophobicContact CB-CG2 3.9Å
157Q98.7Very high98Very high79 Ų7926.5 Ų26.537%0.36915%0.146SC..Hα-helixtrans-61.2-49.2171.8-74173.1-21.300111.6V153 Q154 I155 C159 S160 D161 R189V153-Q157 WeakPolarHBondContact O-CG 3.46Å; V153-Q157 PolarHBondContact O-N 2.96Å; V153-Q157 VanDerWaalsContact O-N 3.09Å; Q154-Q157 PolarHBondContact O-N 2.97Å; I155-Q157 VanDerWaalsContact C-N 3.3Å; I155-Q157 PolarHBondContact O-N 3.2Å; Q157-C159 VanDerWaalsContact C-N 3.32Å; Q157-C159 PolarHBondContact O-N 2.79Å; Q157-S160 VanDerWaalsContact O-CB 3.32Å; Q157-S160 WeakPolarHBondContact O-CB 3.47Å; Q157-S160 PolarHBondContact O-N 2.9Å; Q157-S160 VanDerWaalsContact O-N 3.12Å; Q157-D161 VanDerWaalsContact O-CG 3.27Å; Q157-D161 PolarHBondContact O-N 2.89Å; Q157-R189 VanDerWaalsContact CG-O 3.31Å; Q157-R189 WeakPolarHBondContact CG-O 3.31Å
158L98.2Very high98.2Very high10 Ų1026.5 Ų26.55%0.05215%0.146CC..Hα-helixtrans-57.8-43.8175-68.5172.3000112.1L120 I123 R124 Q154 I155 S160 D161 F162L120-L158 HydrophobicContact CD2-CD1 4.12Å; I123-L158 HydrophobicContact CG2-CD1 4.28Å; R124-L158 HydrophobicContact CB-CD1 4.45Å; R124-L158 HydrophobicContact CB-CD2 4.24Å; R124-L158 HydrophobicContact CG-CD2 4.44Å; R124-L158 VanDerWaalsContact NE-CD2 3.35Å; Q154-L158 WeakPolarHBondContact O-CG 3.5Å; Q154-L158 PolarHBondContact O-N 2.71Å; I155-L158 WeakPolarHBondContact O-CB 3.34Å; I155-L158 PolarHBondContact O-N 3.38Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 3.45Å; L158-D161 PolarHBondContact O-N 3.44Å; L158-F162 HydrophobicContact CD2-CE2 4.41Å; L158-F162 VanDerWaalsContact O-CD2 3.26Å; L158-F162 WeakPolarHBondContact O-CD2 3.48Å; L158-F162 PolarHBondContact O-N 3.34Å
159C98.6Very high98.3Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-62.8-37178.3-68.70000111.7V137 I155 A156 Q157 G163 V164 H166 R191V137-C159 VanDerWaalsContact CG2-SG 3.57Å; I155-C159 WeakPolarHBondContact O-CB 3.44Å; I155-C159 PolarHBondContact O-N 3.38Å; I155-C159 PolarHBondContact O-SG 3.26Å; A156-C159 PolarHBondContact O-N 2.9Å; Q157-C159 VanDerWaalsContact C-N 3.32Å; Q157-C159 PolarHBondContact O-N 2.79Å; C159-G163 CarbonylContact O-C 3.55Å; C159-G163 WeakPolarHBondContact O-CA 3.31Å; C159-G163 PolarHBondContact O-N 3.39Å; C159-V164 VanDerWaalsContact CB-O 3.29Å; C159-V164 WeakPolarHBondContact CB-O 3.49Å; C159-V164 PolarHBondContact O-N 2.91Å; C159-H166 HydrophobicContact CB-CB 3.97Å; C159-R191 HydrophobicContact CB-CB 4.3Å
160S98.2Very high98.4Very high67 Ų6725.9 Ų25.947%0.46914%0.142SC..Hα-helixtrans-64.1-50.1171.9-169.80000111.5A156 Q157 L158 F162 G163A156-S160 WeakPolarHBondContact O-CB 3.33Å; A156-S160 PolarHBondContact O-N 3.39Å; Q157-S160 VanDerWaalsContact O-CB 3.32Å; Q157-S160 WeakPolarHBondContact O-CB 3.47Å; Q157-S160 PolarHBondContact O-N 2.9Å; Q157-S160 VanDerWaalsContact O-N 3.12Å; L158-S160 VanDerWaalsContact C-N 3.28Å; L158-S160 PolarHBondContact O-N 3.45Å; S160-F162 VanDerWaalsContact C-N 3.3Å; S160-F162 PolarHBondContact O-N 3.24Å; S160-G163 PolarHBondContact O-N 2.92Å
161D97.8Very high98.4Very high111 Ų11126 Ų2659%0.59414%0.143SC*.Hα-helixtrans-58-39.7-177.8-67.1-13.6000112.6Q157 L158Q157-D161 VanDerWaalsContact O-CG 3.27Å; Q157-D161 PolarHBondContact O-N 2.89Å; L158-D161 PolarHBondContact O-N 3.44Å
162F97.7Very high98.4Very high56 Ų5623.9 Ų23.925%0.24613%0.133CC..THydrogen-bonded Turntrans-96.2-0.6-178.8-68.2-74.8000114.2R124 I127 P131 L158 S160 V164R124-F162 HydrophobicContact CG-CE2 4.09Å; R124-F162 HydrophobicContact CG-CZ 4.17Å; I127-F162 HydrophobicContact CB-CD2 4.42Å; I127-F162 HydrophobicContact CG2-CB 3.51Å; I127-F162 HydrophobicContact CG2-CD1 4.13Å; I127-F162 HydrophobicContact CG2-CD2 3.82Å; I127-F162 HydrophobicContact CG2-CG 3.55Å; P131-F162 HydrophobicContact CB-CB 4.45Å; P131-F162 HydrophobicContact CG-CD1 4.05Å; L158-F162 HydrophobicContact CD2-CE2 4.41Å; L158-F162 VanDerWaalsContact O-CD2 3.26Å; L158-F162 WeakPolarHBondContact O-CD2 3.48Å; L158-F162 PolarHBondContact O-N 3.34Å; S160-F162 VanDerWaalsContact C-N 3.3Å; S160-F162 PolarHBondContact O-N 3.24Å; F162-V164 VanDerWaalsContact C-N 3.28Å; F162-V164 HydrophobicContact CB-CG2 4.16Å; F162-V164 PolarHBondContact O-N 3.41Å
163G97.2Very high98.4Very high34 Ų3423.8 Ų23.835%0.35113%0.133SC..THydrogen-bonded Turntrans65.127.1-178.600000114.6C159 S160 R191C159-G163 CarbonylContact O-C 3.55Å; C159-G163 WeakPolarHBondContact O-CA 3.31Å; C159-G163 PolarHBondContact O-N 3.39Å; S160-G163 PolarHBondContact O-N 2.92Å; G163-R191 PolarHBondContact O-NH1 2.99Å
164V98Very high98.4Very high0 Ų022.8 Ų22.80%013%0.127CC..  trans-100.1136.1-177.2174.40000110.3I127 P131 V134 V137 C159 F162 R191I127-V164 HydrophobicContact CG2-CG2 3.83Å; P131-V164 HydrophobicContact CB-CG2 4.2Å; V134-V164 HydrophobicContact CB-CG1 4.11Å; V134-V164 HydrophobicContact CB-CG2 4.26Å; V134-V164 HydrophobicContact CG1-CG1 3.56Å; V137-V164 HydrophobicContact CG2-CG1 4.13Å; C159-V164 VanDerWaalsContact CB-O 3.29Å; C159-V164 WeakPolarHBondContact CB-O 3.49Å; C159-V164 PolarHBondContact O-N 2.91Å; F162-V164 VanDerWaalsContact C-N 3.28Å; F162-V164 HydrophobicContact CB-CG2 4.16Å; F162-V164 PolarHBondContact O-N 3.41Å; V164-R191 WeakPolarHBondContact O-CD 3.31Å
165P98.5Very high98.3Very high3 Ų319.1 Ų19.12%0.01911%0.11CC..  trans-60.8148.1175.3-24.433.2000114.1L70 L135 C136 V137 D193L70-P165 HydrophobicContact CD1-CB 4.2Å; L70-P165 HydrophobicContact CD2-CB 3.93Å; L70-P165 HydrophobicContact CD2-CG 4.29Å; L135-P165 VanDerWaalsContact O-CD 3.3Å; L135-P165 WeakPolarHBondContact O-CD 3.41Å; L135-P165 VanDerWaalsContact O-CG 3.32Å; L135-P165 WeakPolarHBondContact O-CG 3.5Å; C136-P165 CarbonylContact C-O 3.03Å; C136-P165 WeakPolarHBondContact CA-O 3.3Å; C136-P165 HydrophobicContact CB-CB 3.98Å; C136-P165 WeakPolarHBondContact CB-O 3.22Å; V137-P165 PolarHBondContact N-O 2.86Å; P165-D193 WeakPolarHBondContact CA-OD2 3.29Å
166H98.8Very high98.3Very high0 Ų019.1 Ų19.10%011%0.11CC..EExtended strand (participates in β ladder)trans-120.4121.8177.4-177.3-156.4000111.1V137 S139 I155 C159 R191 D193 L194V137-H166 PolarHBondContact O-CD2 3.06Å; S139-H166 PolarHBondContact OG-NE2 3.39Å; I155-H166 WeakPolarHBondContact CG2-NE2 3.42Å; C159-H166 HydrophobicContact CB-CB 3.97Å; H166-R191 WeakPolarHBondContact CB-O 3.38Å; H166-R191 PolarHBondContact ND1-O 3.34Å; H166-D193 PolarHBondContact N-OD2 3.47Å; H166-D193 PolarHBondContact O-N 3.3Å; H166-L194 PolarHBondContact O-N 3.09Å
167L98.8Very high98.1Very high0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans-112.7121.5177.6176.961.5000109.7L63 C66 L67 V137 I138 S139 L194 V196L63-L167 HydrophobicContact CD2-CD1 4.1Å; L63-L167 HydrophobicContact CD2-CD2 3.78Å; L63-L167 HydrophobicContact CD2-CG 3.9Å; C66-L167 HydrophobicContact CB-CD1 3.85Å; C66-L167 HydrophobicContact CB-CD2 3.93Å; L67-L167 HydrophobicContact CD2-CD2 3.94Å; L67-L167 HydrophobicContact CG-CD2 4.17Å; V137-L167 PolarHBondContact O-N 2.87Å; I138-L167 WeakPolarHBondContact CA-O 3.12Å; I138-L167 HydrophobicContact CD1-CD2 4.24Å; I138-L167 HydrophobicContact CG1-CB 4.37Å; I138-L167 HydrophobicContact CG1-CD2 4.31Å; S139-L167 PolarHBondContact N-O 3Å; S139-L167 VanDerWaalsContact N-O 3.1Å; L167-L194 WeakPolarHBondContact CA-O 3.42Å; L167-L194 HydrophobicContact CD1-CB 3.59Å; L167-V196 HydrophobicContact CD1-CG2 4.03Å
168I98.8Very high98Very high0 Ų025.8 Ų25.80%014%0.14CC..EExtended strand (participates in β ladder)trans-101.7118-179.3-53.6-178.4000110.5T141 V152 N170 I183 V192 L194 F195 V196T141-I168 HydrophobicContact CG2-CG2 3.74Å; V152-I168 HydrophobicContact CB-CD1 4.31Å; V152-I168 HydrophobicContact CG1-CD1 4.27Å; V152-I168 HydrophobicContact CG1-CG2 4.46Å; I168-N170 HydrophobicContact CG2-CB 4.43Å; I168-N170 PolarHBondContact O-N 2.91Å; I168-I183 HydrophobicContact CD1-CG1 4.11Å; I168-I183 HydrophobicContact CD1-CG2 4.29Å; I168-I183 HydrophobicContact CG2-CD1 4.2Å; I168-I183 HydrophobicContact CG2-CG1 4.37Å; I168-V192 HydrophobicContact CD1-CB 4.49Å; I168-V192 HydrophobicContact CD1-CG1 3.55Å; I168-V192 HydrophobicContact CD1-CG2 4.06Å; I168-V192 HydrophobicContact CG1-CG1 3.93Å; I168-L194 PolarHBondContact N-O 3.21Å; I168-F195 HydrophobicContact CB-CB 3.86Å; I168-F195 CarbonylContact O-C 3.58Å; I168-F195 VanDerWaalsContact O-CA 3.24Å; I168-F195 WeakPolarHBondContact O-CA 3.26Å; I168-V196 PolarHBondContact O-N 3.13Å
169N98.7Very high98Very high6 Ų625.4 Ų25.43%0.03214%0.137CC..EExtended strand (participates in β ladder)trans-77.796.6165.6178.616.6000109.8L63 C90 S139 T140 T141 A171L63-N169 HydrophobicContact CD1-CB 4.34Å; L63-N169 HydrophobicContact CD2-CB 4.45Å; C90-N169 PolarHBondContact SG-ND2 2.74Å; C90-N169 VanDerWaalsContact SG-ND2 3.36Å; S139-N169 WeakPolarHBondContact O-CB 3.46Å; S139-N169 PolarHBondContact O-N 3.33Å; T140-N169 WeakPolarHBondContact CA-O 3.44Å; T140-N169 HydrophobicContact CG2-CB 4.23Å; T141-N169 PolarHBondContact N-O 3.33Å; T141-N169 VanDerWaalsContact N-O 3.15Å; T141-N169 PolarHBondContact OG1-O 3.24Å; N169-A171 WeakPolarHBondContact OD1-CB 3.31Å; N169-A171 PolarHBondContact OD1-N 2.99Å
170N98.7Very high98Very high0 Ų025.4 Ų25.40%014%0.137CC..  trans-103.329.4179.4-165.946.4000112.2T141 I168 Y172 G173 I179 I183 V196 Q197T141-N170 WeakPolarHBondContact OG1-CA 3.28Å; T141-N170 PolarHBondContact OG1-OD1 3.34Å; I168-N170 HydrophobicContact CG2-CB 4.43Å; I168-N170 PolarHBondContact O-N 2.91Å; N170-Y172 PolarHBondContact O-N 3.05Å; N170-G173 PolarHBondContact O-N 3.15Å; N170-G173 VanDerWaalsContact OD1-CA 3.31Å; N170-G173 WeakPolarHBondContact OD1-CA 3.42Å; N170-I179 WeakPolarHBondContact OD1-CG2 3.45Å; N170-I183 HydrophobicContact CB-CD1 4Å; N170-I183 VanDerWaalsContact CG-CD1 3.46Å; N170-I183 WeakPolarHBondContact OD1-CD1 3.35Å; N170-V196 CarbonylContact C-O 3.59Å; N170-V196 VanDerWaalsContact CA-O 3.24Å; N170-V196 WeakPolarHBondContact CA-O 3.23Å; N170-V196 WeakPolarHBondContact CB-O 3.34Å; N170-V196 PolarHBondContact N-O 2.96Å; N170-Q197 PolarHBondContact ND2-OE1 3.3Å; N170-Q197 WeakPolarHBondContact O-CB 3.5Å
171A98.2Very high98Very high7 Ų725.8 Ų25.86%0.05813%0.134CC..THydrogen-bonded Turntrans-34.3-49.1-167.900000115.1T59 S142 N169 V196 S198 N202T59-A171 HydrophobicContact CG2-CB 4.07Å; S142-A171 PolarHBondContact OG-N 2.98Å; N169-A171 WeakPolarHBondContact OD1-CB 3.31Å; N169-A171 PolarHBondContact OD1-N 2.99Å; A171-V196 PolarHBondContact N-O 3.26Å; A171-S198 PolarHBondContact O-N 3Å; A171-N202 PolarHBondContact O-ND2 3.25Å
172Y98.1Very high98Very high27 Ų2722.6 Ų22.611%0.10612%0.117CC..THydrogen-bonded Turntrans-132.332.2-179.956.1-84.5000112.4S142 C143 F144 N170 Q175 K201 N202 I289S142-Y172 WeakPolarHBondContact O-CE1 3.46Å; S142-Y172 VanDerWaalsContact O-CZ 3.28Å; S142-Y172 PolarHBondContact O-OH 3.48Å; S142-Y172 WeakPolarHBondContact OG-CD1 3.45Å; S142-Y172 PolarHBondContact OG-N 3.46Å; C143-Y172 WeakPolarHBondContact CA-OH 3.31Å; C143-Y172 PolarHBondContact N-OH 3.43Å; C143-Y172 VanDerWaalsContact N-OH 3.14Å; C143-Y172 PolarHBondContact O-OH 3.06Å; F144-Y172 PolarHBondContact N-OH 2.93Å; N170-Y172 PolarHBondContact O-N 3.05Å; Y172-Q175 WeakPolarHBondContact O-CG 3.48Å; Y172-Q175 PolarHBondContact O-NE2 3.41Å; Y172-K201 HydrophobicContact CD1-CD 3.97Å; Y172-K201 HydrophobicContact CG-CD 4.24Å; Y172-N202 WeakPolarHBondContact CA-OD1 3.1Å; Y172-I289 HydrophobicContact CD2-CD1 3.98Å; Y172-I289 HydrophobicContact CD2-CG2 4.18Å; Y172-I289 HydrophobicContact CE2-CD1 4.29Å; Y172-I289 HydrophobicContact CE2-CG2 4.03Å; Y172-I289 WeakPolarHBondContact O-CD1 3.34Å
173G98.2Very high98Very high0 Ų020 Ų200%011%0.106CC..THydrogen-bonded Turntrans-92.7-14.7-175.600000115.7N170 Q175 S176N170-G173 PolarHBondContact O-N 3.15Å; N170-G173 VanDerWaalsContact OD1-CA 3.31Å; N170-G173 WeakPolarHBondContact OD1-CA 3.42Å; G173-Q175 PolarHBondContact O-N 2.89Å; G173-S176 PolarHBondContact O-N 3.18Å
174L98.1Very high98.1Very high0 Ų019.4 Ų19.40%09%0.094CC..THydrogen-bonded Turntrans-63.3-23.8179.9-72.9-175.3000113.6I41 S44 I46 S176 Q197 N202 F203I41-L174 HydrophobicContact CG1-CD1 3.97Å; I41-L174 HydrophobicContact CG1-CD2 4.14Å; S44-L174 VanDerWaalsContact CB-O 3.28Å; S44-L174 WeakPolarHBondContact CB-O 3.24Å; S44-L174 PolarHBondContact OG-O 2.93Å; I46-L174 HydrophobicContact CD1-CD2 4.16Å; L174-S176 PolarHBondContact O-N 3.12Å; L174-Q197 HydrophobicContact CD1-CB 4.29Å; L174-Q197 VanDerWaalsContact CD1-CD 3.44Å; L174-Q197 HydrophobicContact CD1-CG 3.56Å; L174-Q197 VanDerWaalsContact CD2-OE1 3.22Å; L174-Q197 HydrophobicContact CG-CB 4.25Å; L174-Q197 HydrophobicContact CG-CG 3.95Å; L174-N202 HydrophobicContact CB-CB 4.05Å; L174-N202 PolarHBondContact N-OD1 3.46Å; L174-N202 VanDerWaalsContact N-OD1 3.12Å; L174-F203 HydrophobicContact CD1-CE2 3.96Å; L174-F203 HydrophobicContact CD1-CZ 3.73Å
175Q97.8Very high98.1Very high1 Ų121.6 Ų21.61%0.00510%0.104CC..THydrogen-bonded Turntrans-76.12175.268.9-169.5-74.100114.5Y172 G173 K201 N202 R258 I289 I361Y172-Q175 WeakPolarHBondContact O-CG 3.48Å; Y172-Q175 PolarHBondContact O-NE2 3.41Å; G173-Q175 PolarHBondContact O-N 2.89Å; Q175-K201 PolarHBondContact NE2-O 3.41Å; Q175-N202 PolarHBondContact N-OD1 3.47Å; Q175-R258 PolarHBondContact O-NE 3.27Å; Q175-R258 PolarHBondContact O-NH2 2.82Å; Q175-I289 HydrophobicContact CG-CD1 4.06Å; Q175-I361 HydrophobicContact CB-CB 4.04Å; Q175-I361 HydrophobicContact CB-CD1 4.37Å; Q175-I361 HydrophobicContact CB-CG2 4.41Å
176S97.5Very high98.2Very high1 Ų121.5 Ų21.51%0.00710%0.103CC..  trans-127109.6-179173.40000110.3G173 L174 K178 I179 C180 P288G173-S176 PolarHBondContact O-N 3.18Å; L174-S176 PolarHBondContact O-N 3.12Å; S176-K178 PolarHBondContact O-N 3.39Å; S176-I179 PolarHBondContact O-N 3.3Å; S176-I179 VanDerWaalsContact O-N 3.15Å; S176-I179 PolarHBondContact OG-N 2.83Å; S176-C180 PolarHBondContact O-N 3.01Å; S176-C180 PolarHBondContact O-SG 3.46Å; S176-P288 WeakPolarHBondContact OG-CG 3.26Å
177E95.9Very high98.1Very high129 Ų12922.6 Ų22.660%0.60311%0.111SC*.Hα-helixtrans-55.9-38.9176.2-176.2178.1-174.500111.6I179 C180 N181E177-I179 PolarHBondContact O-N 3.47Å; E177-C180 PolarHBondContact O-N 2.88Å; E177-N181 WeakPolarHBondContact O-CB 3.24Å; E177-N181 PolarHBondContact O-N 3.36Å
178K96.3Very high98.1Very high90 Ų9027.8 Ų27.839%0.39114%0.139SC..Hα-helixtrans-58.8-49.7176.9-173.8-173.9176.7-140.30111.9S176 C180 N181 D182 A286S176-K178 PolarHBondContact O-N 3.39Å; K178-C180 VanDerWaalsContact C-N 3.32Å; K178-C180 PolarHBondContact O-N 2.81Å; K178-N181 PolarHBondContact O-N 3.37Å; K178-D182 VanDerWaalsContact O-CG 3.3Å; K178-D182 PolarHBondContact O-N 3.04Å; K178-A286 PolarHBondContact NZ-O 3.27Å
179I98.1Very high98Very high1 Ų135 Ų351%0.00517%0.166CC..Hα-helixtrans-63.6-42.4179.2-75.1172.4000110.5T141 P149 N170 S176 E177 D182 I183 P288 I289T141-I179 HydrophobicContact CG2-CG2 4.05Å; P149-I179 HydrophobicContact CG-CD1 4.32Å; P149-I179 HydrophobicContact CG-CG1 4.25Å; N170-I179 WeakPolarHBondContact OD1-CG2 3.45Å; S176-I179 PolarHBondContact O-N 3.3Å; S176-I179 VanDerWaalsContact O-N 3.15Å; S176-I179 PolarHBondContact OG-N 2.83Å; E177-I179 PolarHBondContact O-N 3.47Å; I179-D182 PolarHBondContact O-N 2.94Å; I179-I183 HydrophobicContact CG2-CD1 4.23Å; I179-I183 WeakPolarHBondContact O-CG1 3.42Å; I179-I183 PolarHBondContact O-N 2.94Å; I179-I183 VanDerWaalsContact O-N 3.08Å; I179-P288 HydrophobicContact CD1-CG 3.91Å; I179-P288 HydrophobicContact CG1-CG 4.01Å; I179-I289 HydrophobicContact CD1-CD1 3.92Å
180C98.5Very high98Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-63.9-41.9179-66.20000111.7S44 I46 S176 E177 K178 D182 I183 E184S44-C180 WeakPolarHBondContact O-CB 3.35Å; I46-C180 HydrophobicContact CD1-CB 4.49Å; I46-C180 HydrophobicContact CG1-CB 3.82Å; I46-C180 WeakPolarHBondContact CG1-O 3.47Å; S176-C180 PolarHBondContact O-N 3.01Å; S176-C180 PolarHBondContact O-SG 3.46Å; E177-C180 PolarHBondContact O-N 2.88Å; K178-C180 VanDerWaalsContact C-N 3.32Å; K178-C180 PolarHBondContact O-N 2.81Å; C180-D182 VanDerWaalsContact C-N 3.34Å; C180-D182 PolarHBondContact O-N 3.45Å; C180-I183 PolarHBondContact O-N 3.28Å; C180-E184 PolarHBondContact O-N 2.94Å
181N97.9Very high98Very high76 Ų7639.6 Ų39.641%0.40619%0.189SC..Hα-helixtrans-65-36.6174.8-176.365.4000112.2E177 K178 I183 E184 Q185E177-N181 WeakPolarHBondContact O-CB 3.24Å; E177-N181 PolarHBondContact O-N 3.36Å; K178-N181 PolarHBondContact O-N 3.37Å; N181-I183 VanDerWaalsContact C-N 3.32Å; N181-I183 PolarHBondContact O-N 3.25Å; N181-E184 WeakPolarHBondContact O-CB 3.34Å; N181-E184 PolarHBondContact O-N 2.93Å; N181-Q185 WeakPolarHBondContact O-CB 3.46Å; N181-Q185 VanDerWaalsContact O-CG 3.31Å; N181-Q185 WeakPolarHBondContact O-CG 3.03Å; N181-Q185 PolarHBondContact O-N 3.05Å
182D98.3Very high98Very high44 Ų4440 Ų4024%0.23519%0.19CC..Hα-helixtrans-63.4-38.9174.7-68.5-22.9000111.4V152 K178 I179 C180 A186V152-D182 HydrophobicContact CG2-CB 3.85Å; K178-D182 VanDerWaalsContact O-CG 3.3Å; K178-D182 PolarHBondContact O-N 3.04Å; I179-D182 PolarHBondContact O-N 2.94Å; C180-D182 VanDerWaalsContact C-N 3.34Å; C180-D182 PolarHBondContact O-N 3.45Å; D182-A186 VanDerWaalsContact O-CB 3.3Å; D182-A186 WeakPolarHBondContact O-CB 3.48Å; D182-A186 PolarHBondContact O-N 2.91Å
183I98.7Very high98Very high0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-67.3-43.6174-66.5170.3000111.4I46 T141 I168 N170 I179 C180 N181 Q185 A186 S187 F195 F215I46-I183 HydrophobicContact CD1-CB 4.07Å; I46-I183 HydrophobicContact CD1-CD1 4.02Å; I46-I183 HydrophobicContact CD1-CG2 3.8Å; I46-I183 HydrophobicContact CG1-CB 4.26Å; I46-I183 HydrophobicContact CG1-CG2 4.19Å; I46-I183 HydrophobicContact CG2-CG2 4.1Å; T141-I183 HydrophobicContact CG2-CD1 4.11Å; T141-I183 HydrophobicContact CG2-CG1 4.07Å; I168-I183 HydrophobicContact CD1-CG1 4.11Å; I168-I183 HydrophobicContact CD1-CG2 4.29Å; I168-I183 HydrophobicContact CG2-CD1 4.2Å; I168-I183 HydrophobicContact CG2-CG1 4.37Å; N170-I183 HydrophobicContact CB-CD1 4Å; N170-I183 VanDerWaalsContact CG-CD1 3.46Å; N170-I183 WeakPolarHBondContact OD1-CD1 3.35Å; I179-I183 HydrophobicContact CG2-CD1 4.23Å; I179-I183 WeakPolarHBondContact O-CG1 3.42Å; I179-I183 PolarHBondContact O-N 2.94Å; I179-I183 VanDerWaalsContact O-N 3.08Å; C180-I183 PolarHBondContact O-N 3.28Å; N181-I183 VanDerWaalsContact C-N 3.32Å; N181-I183 PolarHBondContact O-N 3.25Å; I183-Q185 PolarHBondContact O-N 3.06Å; I183-A186 WeakPolarHBondContact O-CB 3.36Å; I183-A186 PolarHBondContact O-N 3.38Å; I183-S187 PolarHBondContact O-N 3.14Å; I183-F195 HydrophobicContact CG2-CD1 4.47Å; I183-F215 HydrophobicContact CG2-CZ 3.89Å
184E98.7Very high98.1Very high22 Ų2239.1 Ų39.110%0.10319%0.188CC..Hα-helixtrans-54.8-52.7173.6177.968.1-167.300110.4I46 R47 S48 C180 N181 A186 S187 L188I46-E184 VanDerWaalsContact C-OE2 3.23Å; I46-E184 WeakPolarHBondContact CA-OE2 3.34Å; R47-E184 PolarHBondContact N-OE2 2.92Å; S48-E184 WeakPolarHBondContact CB-OE1 3.49Å; S48-E184 PolarHBondContact N-OE1 3.1Å; S48-E184 PolarHBondContact N-OE2 3.44Å; S48-E184 PolarHBondContact OG-OE2 2.89Å; C180-E184 PolarHBondContact O-N 2.94Å; N181-E184 WeakPolarHBondContact O-CB 3.34Å; N181-E184 PolarHBondContact O-N 2.93Å; E184-A186 VanDerWaalsContact C-N 3.3Å; E184-A186 PolarHBondContact O-N 3.33Å; E184-S187 PolarHBondContact O-N 3.45Å; E184-S187 PolarHBondContact O-OG 3.15Å; E184-L188 HydrophobicContact CG-CD1 4.26Å; E184-L188 WeakPolarHBondContact O-CG 3.31Å; E184-L188 PolarHBondContact O-N 2.79Å
185Q98.6Very high98.1Very high47 Ų4739.1 Ų39.122%0.2219%0.188CC..Hα-helixtrans-63.5-35.4179-68.2-55.9-60.900112.6V153 N181 I183 S187 L188 R189V153-Q185 HydrophobicContact CG2-CB 3.79Å; N181-Q185 WeakPolarHBondContact O-CB 3.46Å; N181-Q185 VanDerWaalsContact O-CG 3.31Å; N181-Q185 WeakPolarHBondContact O-CG 3.03Å; N181-Q185 PolarHBondContact O-N 3.05Å; I183-Q185 PolarHBondContact O-N 3.06Å; Q185-S187 VanDerWaalsContact C-N 3.35Å; Q185-L188 PolarHBondContact O-N 3.31Å; Q185-R189 WeakPolarHBondContact O-CB 3.09Å; Q185-R189 WeakPolarHBondContact O-CG 3.47Å; Q185-R189 PolarHBondContact O-N 3.4Å; Q185-R189 VanDerWaalsContact OE1-NE 3.11Å
186A98.7Very high98.1Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-63.5-41.5175.400000111.7V152 V153 A156 D182 I183 E184 L188 G190 V192V152-A186 HydrophobicContact CB-CB 4.24Å; V152-A186 HydrophobicContact CG2-CB 4.13Å; V153-A186 HydrophobicContact CG2-CB 4.31Å; A156-A186 HydrophobicContact CB-CB 3.87Å; A156-A186 WeakPolarHBondContact CB-O 3.41Å; D182-A186 VanDerWaalsContact O-CB 3.3Å; D182-A186 WeakPolarHBondContact O-CB 3.48Å; D182-A186 PolarHBondContact O-N 2.91Å; I183-A186 WeakPolarHBondContact O-CB 3.36Å; I183-A186 PolarHBondContact O-N 3.38Å; E184-A186 VanDerWaalsContact C-N 3.3Å; E184-A186 PolarHBondContact O-N 3.33Å; A186-L188 VanDerWaalsContact C-N 3.3Å; A186-L188 PolarHBondContact O-N 3.06Å; A186-G190 PolarHBondContact O-N 3.43Å; A186-G190 VanDerWaalsContact O-N 3.15Å; A186-V192 HydrophobicContact CB-CG2 3.7Å
187S98Very high98.2Very high24 Ų2439 Ų3917%0.16819%0.187CC..Hα-helixtrans-64.7-32.7176.778.50000113.3S48 I183 E184 Q185 F215S48-S187 PolarHBondContact OG-OG 3.42Å; I183-S187 PolarHBondContact O-N 3.14Å; E184-S187 PolarHBondContact O-N 3.45Å; E184-S187 PolarHBondContact O-OG 3.15Å; Q185-S187 VanDerWaalsContact C-N 3.35Å; S187-F215 VanDerWaalsContact CB-CE1 3.42Å; S187-F215 VanDerWaalsContact CB-CZ 3.49Å
188L98Very high98.3Very high109 Ų10932.9 Ų32.957%0.57116%0.159SC*.Hα-helixtrans-83.3-30.2-177.6-66.7173.9000113.2E184 Q185 A186E184-L188 HydrophobicContact CG-CD1 4.26Å; E184-L188 WeakPolarHBondContact O-CG 3.31Å; E184-L188 PolarHBondContact O-N 2.79Å; Q185-L188 PolarHBondContact O-N 3.31Å; A186-L188 VanDerWaalsContact C-N 3.3Å; A186-L188 PolarHBondContact O-N 3.06Å
189R98.1Very high98.4Very high151 Ų15128.7 Ų28.757%0.5714%0.14SC*.Hα-helixtrans-105.8-5.4-171.4-61.5-176.9-168.7-164.12.1114.3V153 Q157 Q185V153-R189 HydrophobicContact CG1-CB 4.25Å; Q157-R189 VanDerWaalsContact CG-O 3.31Å; Q157-R189 WeakPolarHBondContact CG-O 3.31Å; Q185-R189 WeakPolarHBondContact O-CB 3.09Å; Q185-R189 WeakPolarHBondContact O-CG 3.47Å; Q185-R189 PolarHBondContact O-N 3.4Å; Q185-R189 VanDerWaalsContact OE1-NE 3.11Å
190G98.1Very high98.4Very high21 Ų2130.1 Ų30.122%0.21615%0.148CC..SBendtrans-163.4-152.4-176.800000111.1A156 A186A156-G190 WeakPolarHBondContact O-CA 3.35Å; A186-G190 PolarHBondContact O-N 3.43Å; A186-G190 VanDerWaalsContact O-N 3.15Å
191R98.3Very high98.4Very high82 Ų8234.2 Ų34.231%0.30917%0.166SC..  trans-106.5120.8-179.1-179.5174.6179.2161.66.9110.9A156 C159 G163 V164 H166 D193A156-R191 WeakPolarHBondContact CA-O 3.46Å; A156-R191 WeakPolarHBondContact CB-O 3.37Å; A156-R191 PolarHBondContact O-N 3.37Å; C159-R191 HydrophobicContact CB-CB 4.3Å; G163-R191 PolarHBondContact O-NH1 2.99Å; V164-R191 WeakPolarHBondContact O-CD 3.31Å; H166-R191 WeakPolarHBondContact CB-O 3.38Å; H166-R191 PolarHBondContact ND1-O 3.34Å; R191-D193 WeakPolarHBondContact CG-OD2 3.3Å; R191-D193 IonicContact CZ-OD1 3.44Å; R191-D193 IonicContact CZ-OD2 2.94Å; R191-D193 IonicContact NE-OD1 2.8Å; R191-D193 PolarHBondContact NE-OD1 3.33Å; R191-D193 IonicContact NE-OD2 3.71Å; R191-D193 PolarHBondContact NE-OD2 2.78Å; R191-D193 IonicContact NH2-OD1 3.56Å; R191-D193 PolarHBondContact NH2-OD1 3.36Å; R191-D193 IonicContact NH2-OD2 3.74Å
192V98.6Very high98.4Very high14 Ų1430.6 Ų30.69%0.08515%0.147CC..  trans-128.7119.3164.8-173.80000107.9A156 I168 A186 F215A156-V192 HydrophobicContact CB-CG2 3.9Å; I168-V192 HydrophobicContact CD1-CB 4.49Å; I168-V192 HydrophobicContact CD1-CG1 3.55Å; I168-V192 HydrophobicContact CD1-CG2 4.06Å; I168-V192 HydrophobicContact CG1-CG1 3.93Å; A186-V192 HydrophobicContact CB-CG2 3.7Å; V192-F215 HydrophobicContact CB-CD2 4.02Å; V192-F215 HydrophobicContact CB-CE2 3.78Å; V192-F215 HydrophobicContact CG1-CD2 4.15Å; V192-F215 HydrophobicContact CG1-CE2 3.6Å; V192-F215 WeakPolarHBondContact O-CD2 3.41Å
193D98.4Very high98.4Very high9 Ų928.6 Ų28.65%0.04814%0.136CC..  trans-89.9-47-177.5-62.5-109.8000110.6P165 H166 R191 I219P165-D193 WeakPolarHBondContact CA-OD2 3.29Å; H166-D193 PolarHBondContact N-OD2 3.47Å; H166-D193 PolarHBondContact O-N 3.3Å; R191-D193 WeakPolarHBondContact CG-OD2 3.3Å; R191-D193 IonicContact CZ-OD1 3.44Å; R191-D193 IonicContact CZ-OD2 2.94Å; R191-D193 IonicContact NE-OD1 2.8Å; R191-D193 PolarHBondContact NE-OD1 3.33Å; R191-D193 IonicContact NE-OD2 3.71Å; R191-D193 PolarHBondContact NE-OD2 2.78Å; R191-D193 IonicContact NH2-OD1 3.56Å; R191-D193 PolarHBondContact NH2-OD1 3.36Å; R191-D193 IonicContact NH2-OD2 3.74Å; D193-I219 HydrophobicContact CB-CD1 4.24Å
194L98.7Very high98.3Very high0 Ų033.9 Ų33.90%016%0.162CC..EExtended strand (participates in β ladder)trans-146.5148.1-173.3-70.6169.9000111C66 F69 H166 L167 I168 V212 G213 A214 I219C66-L194 HydrophobicContact CB-CD1 3.77Å; F69-L194 HydrophobicContact CD1-CD1 4.12Å; H166-L194 PolarHBondContact O-N 3.09Å; L167-L194 WeakPolarHBondContact CA-O 3.42Å; L167-L194 HydrophobicContact CD1-CB 3.59Å; I168-L194 PolarHBondContact N-O 3.21Å; L194-V212 HydrophobicContact CD2-CG1 3.7Å; L194-G213 WeakPolarHBondContact CA-O 3.19Å; L194-A214 HydrophobicContact CD2-CB 3.93Å; L194-I219 HydrophobicContact CD1-CG2 4.44Å; L194-I219 HydrophobicContact CD2-CG2 3.49Å; L194-I219 VanDerWaalsContact CD2-CG2 3.49Å; L194-I219 HydrophobicContact CG-CG2 3.87Å
195F98.8Very high98.3Very high0 Ų033.5 Ų33.50%016%0.161CC..EExtended strand (participates in β ladder)trans-135.8143.8167.762.3-84.4000111I41 I46 C49 I168 I183 V212 G213 F215I41-F195 HydrophobicContact CD1-CE2 4.39Å; I41-F195 HydrophobicContact CG2-CE2 4.07Å; I41-F195 HydrophobicContact CG2-CZ 3.89Å; I46-F195 HydrophobicContact CD1-CD2 4.11Å; I46-F195 HydrophobicContact CD1-CE2 3.58Å; I46-F195 HydrophobicContact CD1-CZ 3.91Å; I46-F195 HydrophobicContact CG2-CE1 4.32Å; I46-F195 HydrophobicContact CG2-CZ 4.05Å; C49-F195 HydrophobicContact CB-CE1 4.44Å; C49-F195 HydrophobicContact CB-CZ 4.1Å; I168-F195 HydrophobicContact CB-CB 3.86Å; I168-F195 CarbonylContact O-C 3.58Å; I168-F195 VanDerWaalsContact O-CA 3.24Å; I168-F195 WeakPolarHBondContact O-CA 3.26Å; I183-F195 HydrophobicContact CG2-CD1 4.47Å; F195-V212 WeakPolarHBondContact O-CA 3.23Å; F195-G213 WeakPolarHBondContact CD1-O 3.44Å; F195-G213 VanDerWaalsContact CE1-C 3.45Å; F195-G213 PolarHBondContact N-O 2.99Å; F195-G213 PolarHBondContact O-N 3.26Å; F195-F215 AromaticContact CD1-CE2 3.75Å; F195-F215 HydrophobicContact CD1-CE2 3.75Å; F195-F215 AromaticContact CD1-CZ 3.93Å; F195-F215 HydrophobicContact CD1-CZ 3.93Å; F195-F215 HydrophobicContact CE1-CE1 4.28Å; F195-F215 AromaticContact CE1-CE2 3.79Å; F195-F215 HydrophobicContact CE1-CE2 3.79Å; F195-F215 AromaticContact CE1-CZ 3.61Å; F195-F215 HydrophobicContact CE1-CZ 3.61Å
196V98.8Very high98.3Very high0 Ų035.5 Ų35.50%018%0.178CC..EExtended strand (participates in β ladder)trans-126.2129.9-171.4-170.20000110.7T59 A62 L63 L167 I168 N170 A171 A210 I211 V212T59-V196 HydrophobicContact CG2-CB 4.42Å; T59-V196 HydrophobicContact CG2-CG1 3.81Å; A62-V196 HydrophobicContact CB-CG1 3.61Å; L63-V196 HydrophobicContact CD2-CB 3.98Å; L63-V196 HydrophobicContact CD2-CG2 3.71Å; L63-V196 HydrophobicContact CG-CB 4.3Å; L63-V196 HydrophobicContact CG-CG1 4.48Å; L63-V196 HydrophobicContact CG-CG2 4.28Å; L167-V196 HydrophobicContact CD1-CG2 4.03Å; I168-V196 PolarHBondContact O-N 3.13Å; N170-V196 CarbonylContact C-O 3.59Å; N170-V196 VanDerWaalsContact CA-O 3.24Å; N170-V196 WeakPolarHBondContact CA-O 3.23Å; N170-V196 WeakPolarHBondContact CB-O 3.34Å; N170-V196 PolarHBondContact N-O 2.96Å; A171-V196 PolarHBondContact N-O 3.26Å; V196-A210 HydrophobicContact CG1-CB 4.4Å; V196-I211 WeakPolarHBondContact CA-O 3.36Å; V196-V212 HydrophobicContact CG1-CG2 4.29Å; V196-V212 HydrophobicContact CG2-CG2 4.16Å
197Q98.6Very high98.2Very high0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-128.7155.1175.750.9-114.7-23.700111.7I41 N170 L174 A210 I211I41-Q197 VanDerWaalsContact CD1-NE2 3.32Å; N170-Q197 PolarHBondContact ND2-OE1 3.3Å; N170-Q197 WeakPolarHBondContact O-CB 3.5Å; L174-Q197 HydrophobicContact CD1-CB 4.29Å; L174-Q197 VanDerWaalsContact CD1-CD 3.44Å; L174-Q197 HydrophobicContact CD1-CG 3.56Å; L174-Q197 VanDerWaalsContact CD2-OE1 3.22Å; L174-Q197 HydrophobicContact CG-CB 4.25Å; L174-Q197 HydrophobicContact CG-CG 3.95Å; Q197-A210 CarbonylContact O-C 3.5Å; Q197-A210 WeakPolarHBondContact O-CA 3.46Å; Q197-A210 WeakPolarHBondContact O-CB 3.32Å; Q197-I211 HydrophobicContact CG-CB 3.95Å; Q197-I211 PolarHBondContact N-O 3.27Å; Q197-I211 PolarHBondContact O-N 3.48Å
198S98.6Very high98Very high1 Ų140.9 Ų40.91%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-87.3146.6175.1117.20000110.9T59 A171 D200 K201 N202T59-S198 WeakPolarHBondContact OG1-CA 3.18Å; T59-S198 WeakPolarHBondContact OG1-CB 3.49Å; A171-S198 PolarHBondContact O-N 3Å; S198-D200 WeakPolarHBondContact CB-OD1 3.3Å; S198-D200 VanDerWaalsContact OG-CG 3.24Å; S198-D200 PolarHBondContact OG-N 3.1Å; S198-D200 PolarHBondContact OG-OD1 3.3Å; S198-K201 WeakPolarHBondContact OG-CB 3.34Å; S198-K201 VanDerWaalsContact OG-CG 3.28Å; S198-K201 WeakPolarHBondContact OG-CG 3.26Å; S198-K201 PolarHBondContact OG-N 3.11Å; S198-K201 VanDerWaalsContact OG-N 3.1Å; S198-N202 PolarHBondContact O-ND2 3.02Å
199C98.4Very high97.9Very high1 Ų135.7 Ų35.71%0.00719%0.187CC..Hα-helixtrans-72.7-46.8175.8-63.90000111K201 N202 F203 V205 G209C199-K201 PolarHBondContact O-N 3.08Å; C199-N202 PolarHBondContact O-N 2.83Å; C199-F203 WeakPolarHBondContact O-CB 3.48Å; C199-F203 WeakPolarHBondContact O-CD2 3.46Å; C199-F203 PolarHBondContact O-N 3.06Å; C199-V205 HydrophobicContact CB-CG2 3.55Å; C199-G209 PolarHBondContact N-O 3.45Å
200D98Very high97.9Very high32 Ų3228.5 Ų28.517%0.17116%0.16CC..Hα-helixtrans-58.2-44.6-175.559.2-65.3000112.8S198 N202 M204 V205 V207S198-D200 WeakPolarHBondContact CB-OD1 3.3Å; S198-D200 VanDerWaalsContact OG-CG 3.24Å; S198-D200 PolarHBondContact OG-N 3.1Å; S198-D200 PolarHBondContact OG-OD1 3.3Å; D200-N202 VanDerWaalsContact C-N 3.34Å; D200-N202 PolarHBondContact O-N 3.47Å; D200-M204 WeakPolarHBondContact O-CA 3.17Å; D200-M204 PolarHBondContact O-N 2.86Å; D200-V205 WeakPolarHBondContact CA-O 3.44Å; D200-V205 WeakPolarHBondContact CB-O 3.29Å; D200-V207 HydrophobicContact CB-CG2 4.18Å
201K97.7Very high98Very high86 Ų8627.5 Ų27.537%0.37415%0.15SC..Hα-helixtrans-77.2-17.4-174-60.8176.4-172.1176.60114.6Y172 Q175 S198 C199 I361Y172-K201 HydrophobicContact CD1-CD 3.97Å; Y172-K201 HydrophobicContact CG-CD 4.24Å; Q175-K201 PolarHBondContact NE2-O 3.41Å; S198-K201 WeakPolarHBondContact OG-CB 3.34Å; S198-K201 VanDerWaalsContact OG-CG 3.28Å; S198-K201 WeakPolarHBondContact OG-CG 3.26Å; S198-K201 PolarHBondContact OG-N 3.11Å; S198-K201 VanDerWaalsContact OG-N 3.1Å; C199-K201 PolarHBondContact O-N 3.08Å; K201-I361 WeakPolarHBondContact O-CG2 3.09Å
202N98.5Very high98Very high0 Ų023.6 Ų23.60%014%0.135CC..Hα-helixtrans-112.5-21.2-177.3-61-73.4000112.8A171 Y172 L174 Q175 S198 C199 D200A171-N202 PolarHBondContact O-ND2 3.25Å; Y172-N202 WeakPolarHBondContact CA-OD1 3.1Å; L174-N202 HydrophobicContact CB-CB 4.05Å; L174-N202 PolarHBondContact N-OD1 3.46Å; L174-N202 VanDerWaalsContact N-OD1 3.12Å; Q175-N202 PolarHBondContact N-OD1 3.47Å; S198-N202 PolarHBondContact O-ND2 3.02Å; C199-N202 PolarHBondContact O-N 2.83Å; D200-N202 VanDerWaalsContact C-N 3.34Å; D200-N202 PolarHBondContact O-N 3.47Å
203F98.3Very high98Very high2 Ų223 Ų231%0.00913%0.131CC..Hα-helixtrans-129.56.6-174.3-54.7-76.3000114.1A40 L174 C199 V205 I211 L239 T242 L243 Y251A40-F203 HydrophobicContact CB-CE1 3.86Å; A40-F203 HydrophobicContact CB-CZ 4.12Å; L174-F203 HydrophobicContact CD1-CE2 3.96Å; L174-F203 HydrophobicContact CD1-CZ 3.73Å; C199-F203 WeakPolarHBondContact O-CB 3.48Å; C199-F203 WeakPolarHBondContact O-CD2 3.46Å; C199-F203 PolarHBondContact O-N 3.06Å; F203-V205 VanDerWaalsContact C-N 3.28Å; F203-V205 HydrophobicContact CB-CG1 4.47Å; F203-V205 PolarHBondContact O-N 2.99Å; F203-I211 HydrophobicContact CD2-CD1 4.35Å; F203-I211 HydrophobicContact CE2-CD1 3.52Å; F203-I211 HydrophobicContact CZ-CD1 4.16Å; F203-L239 HydrophobicContact CB-CD1 3.62Å; F203-L239 HydrophobicContact CD1-CD1 3.9Å; F203-L239 HydrophobicContact CD2-CD1 3.54Å; F203-L239 HydrophobicContact CE1-CD1 4.46Å; F203-L239 HydrophobicContact CE2-CD1 4.17Å; F203-L239 HydrophobicContact CG-CD1 3.38Å; F203-T242 WeakPolarHBondContact O-CG2 3.45Å; F203-L243 HydrophobicContact CD1-CD2 3.82Å; F203-L243 HydrophobicContact CE1-CD2 3.93Å; F203-Y251 HydrophobicContact CD1-CD2 4.31Å; F203-Y251 AromaticContact CD1-CE2 3.75Å; F203-Y251 HydrophobicContact CD1-CE2 3.75Å; F203-Y251 HydrophobicContact CE1-CD2 4.38Å; F203-Y251 AromaticContact CE1-CE2 3.59Å; F203-Y251 HydrophobicContact CE1-CE2 3.59Å; F203-Y251 AromaticContact CE1-CZ 3.68Å
204M97.6Very high98Very high110 Ų11022.5 Ų22.554%0.54213%0.129SC..  trans59.436.7174.6-55.9166.15500113.7D200 L254 I361D200-M204 WeakPolarHBondContact O-CA 3.17Å; D200-M204 PolarHBondContact O-N 2.86Å; M204-L254 HydrophobicContact SD-CD1 4.19Å; M204-I361 HydrophobicContact CG-CG2 4.33Å
205V97.9Very high97.9Very high15 Ų1524.5 Ų24.59%0.09114%0.138CC..  trans-104.5167175.7-63.60000111.2C199 D200 F203 D238 T242C199-V205 HydrophobicContact CB-CG2 3.55Å; D200-V205 WeakPolarHBondContact CA-O 3.44Å; D200-V205 WeakPolarHBondContact CB-O 3.29Å; F203-V205 VanDerWaalsContact C-N 3.28Å; F203-V205 HydrophobicContact CB-CG1 4.47Å; F203-V205 PolarHBondContact O-N 2.99Å; V205-D238 HydrophobicContact CB-CB 4.11Å; V205-D238 HydrophobicContact CG1-CB 4.07Å; V205-T242 HydrophobicContact CG1-CG2 4.2Å; V205-T242 VanDerWaalsContact CG1-OG1 3.27Å; V205-T242 WeakPolarHBondContact CG1-OG1 3.37Å
206P97.7Very high97.8Very high88 Ų8826.4 Ų26.457%0.57115%0.151SC*.  trans-55150.3174.2-27.436.5000113.8G208P206-G208 PolarHBondContact O-N 3.23Å
207V96.7Very high97.6Very high115 Ų11529.1 Ų29.170%0.69717%0.173SC*.THydrogen-bonded Turntrans-63.8133.2175.6-178.70000109.6D200D200-V207 HydrophobicContact CB-CG2 4.18Å
208G93.6Very high97.5Very high22 Ų2235.4 Ų35.423%0.22721%0.207CC..THydrogen-bonded Turntrans144.8-10.9173.900000115.2P56 V57 P206P56-G208 CarbonylContact C-O 3.46Å; V57-G208 CarbonylContact C-O 3.2Å; V57-G208 VanDerWaalsContact CA-O 3.26Å; V57-G208 WeakPolarHBondContact CA-O 3.45Å; V57-G208 PolarHBondContact N-O 3.41Å; P206-G208 PolarHBondContact O-N 3.23Å
209G97.4Very high97.4Very high1 Ų136.8 Ų36.81%0.0121%0.214CC..  trans-108148.2174.800000113.7V57 C199V57-G209 CarbonylContact O-C 3.59Å; C199-G209 PolarHBondContact N-O 3.45Å
210A98.5Very high97.3Very high0 Ų037 Ų370%021%0.214CC..EExtended strand (participates in β ladder)trans-138.7149.6167.700000110.8I54 F55 V57 A62 V196 Q197I54-A210 WeakPolarHBondContact CA-O 3.34Å; F55-A210 PolarHBondContact N-O 3.06Å; F55-A210 PolarHBondContact O-N 3.32Å; V57-A210 VanDerWaalsContact O-CB 3.26Å; V57-A210 WeakPolarHBondContact O-CB 3.49Å; V57-A210 PolarHBondContact O-N 2.71Å; V57-A210 VanDerWaalsContact O-N 3.11Å; A62-A210 HydrophobicContact CB-CB 3.66Å; V196-A210 HydrophobicContact CG1-CB 4.4Å; Q197-A210 CarbonylContact O-C 3.5Å; Q197-A210 WeakPolarHBondContact O-CA 3.46Å; Q197-A210 WeakPolarHBondContact O-CB 3.32Å
211I98.5Very high97.1Very high0 Ų038.3 Ų38.30%022%0.222CC..EExtended strand (participates in β ladder)trans-111.4124.6176.9-51.6161.5000108.1A37 I41 C52 R53 I54 V196 Q197 F203 L239A37-I211 HydrophobicContact CB-CD1 4.06Å; A37-I211 HydrophobicContact CB-CG2 4.47Å; I41-I211 HydrophobicContact CD1-CG2 3.85Å; C52-I211 HydrophobicContact CB-CG2 3.69Å; R53-I211 WeakPolarHBondContact O-CA 3.44Å; I54-I211 HydrophobicContact CG1-CG1 4.11Å; V196-I211 WeakPolarHBondContact CA-O 3.36Å; Q197-I211 HydrophobicContact CG-CB 3.95Å; Q197-I211 PolarHBondContact N-O 3.27Å; Q197-I211 PolarHBondContact O-N 3.48Å; F203-I211 HydrophobicContact CD2-CD1 4.35Å; F203-I211 HydrophobicContact CE2-CD1 3.52Å; F203-I211 HydrophobicContact CZ-CD1 4.16Å; I211-L239 HydrophobicContact CD1-CD2 3.91Å; I211-L239 HydrophobicContact CG1-CD2 4.39Å
212V98.7Very high97Very high0 Ų035.1 Ų35.10%021%0.213CC..EExtended strand (participates in β ladder)trans-100119.1171.8179.50000107.8C52 R53 F55 A62 L194 F195 V196 I220 I223C52-V212 CarbonylContact C-O 3.44Å; C52-V212 WeakPolarHBondContact CA-O 3.43Å; C52-V212 VanDerWaalsContact CB-O 3.29Å; C52-V212 WeakPolarHBondContact CB-O 3.35Å; R53-V212 PolarHBondContact N-O 2.94Å; R53-V212 PolarHBondContact O-N 3Å; F55-V212 HydrophobicContact CD2-CB 4.27Å; F55-V212 HydrophobicContact CD2-CG2 3.66Å; F55-V212 HydrophobicContact CE2-CB 4.01Å; F55-V212 HydrophobicContact CE2-CG2 3.73Å; A62-V212 HydrophobicContact CB-CG2 4.19Å; L194-V212 HydrophobicContact CD2-CG1 3.7Å; F195-V212 WeakPolarHBondContact O-CA 3.23Å; V196-V212 HydrophobicContact CG1-CG2 4.29Å; V196-V212 HydrophobicContact CG2-CG2 4.16Å; V212-I220 WeakPolarHBondContact O-CD1 3.32Å; V212-I223 HydrophobicContact CG1-CG1 4.47Å
213G98.5Very high96.9Very high0 Ų035.1 Ų35.10%021%0.213CC..EExtended strand (participates in β ladder)trans-105.5151.9174.500000111.9L194 F195L194-G213 WeakPolarHBondContact CA-O 3.19Å; F195-G213 WeakPolarHBondContact CD1-O 3.44Å; F195-G213 VanDerWaalsContact CE1-C 3.45Å; F195-G213 PolarHBondContact N-O 2.99Å; F195-G213 PolarHBondContact O-N 3.26Å
214A98.4Very high96.7Very high0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-142165.5176.800000111.8C49 V50 G51 L194 I219 I220C49-A214 PolarHBondContact SG-O 2.85Å; V50-A214 PolarHBondContact N-O 3.32Å; V50-A214 VanDerWaalsContact N-O 3.15Å; G51-A214 PolarHBondContact O-N 3.5Å; L194-A214 HydrophobicContact CD2-CB 3.93Å; A214-I219 HydrophobicContact CB-CB 4.4Å; A214-I219 HydrophobicContact CB-CG2 3.97Å; A214-I220 HydrophobicContact CB-CB 4.02Å; A214-I220 HydrophobicContact CB-CD1 4.21Å
215F97.9Very high96.5Very high42 Ų4237.2 Ų37.218%0.18422%0.215CC..SBendtrans-106.23175.1-54.7-80000112.8I46 S48 C49 I183 S187 V192 F195I46-F215 HydrophobicContact CG2-CE1 3.6Å; I46-F215 HydrophobicContact CG2-CZ 3.74Å; S48-F215 WeakPolarHBondContact OG-CD1 3.33Å; S48-F215 WeakPolarHBondContact OG-CE1 3.41Å; C49-F215 HydrophobicContact CB-CE1 4.46Å; I183-F215 HydrophobicContact CG2-CZ 3.89Å; S187-F215 VanDerWaalsContact CB-CE1 3.42Å; S187-F215 VanDerWaalsContact CB-CZ 3.49Å; V192-F215 HydrophobicContact CB-CD2 4.02Å; V192-F215 HydrophobicContact CB-CE2 3.78Å; V192-F215 HydrophobicContact CG1-CD2 4.15Å; V192-F215 HydrophobicContact CG1-CE2 3.6Å; V192-F215 WeakPolarHBondContact O-CD2 3.41Å; F195-F215 AromaticContact CD1-CE2 3.75Å; F195-F215 HydrophobicContact CD1-CE2 3.75Å; F195-F215 AromaticContact CD1-CZ 3.93Å; F195-F215 HydrophobicContact CD1-CZ 3.93Å; F195-F215 HydrophobicContact CE1-CE1 4.28Å; F195-F215 AromaticContact CE1-CE2 3.79Å; F195-F215 HydrophobicContact CE1-CE2 3.79Å; F195-F215 AromaticContact CE1-CZ 3.61Å; F195-F215 HydrophobicContact CE1-CZ 3.61Å
216S96.5Very high96.3Very high40 Ų4037.3 Ų37.328%0.2822%0.215SC..  trans-130.8134.2175.3166.30000111.1D218 I219 I220S216-D218 VanDerWaalsContact C-N 3.32Å; S216-D218 PolarHBondContact OG-N 2.85Å; S216-I219 PolarHBondContact O-N 3.16Å; S216-I219 PolarHBondContact OG-N 3.27Å; S216-I220 PolarHBondContact O-N 3.02Å; S216-I220 VanDerWaalsContact O-N 3.12Å
217A94.8Very high96.1Very high56 Ų5635.2 Ų35.246%0.46320%0.196SC..Hα-helixtrans-60.9-41.3175.800000111.5I219 I220 D221A217-I219 VanDerWaalsContact C-N 3.32Å; A217-I219 PolarHBondContact O-N 3.42Å; A217-I220 WeakPolarHBondContact O-CG2 3.35Å; A217-I220 PolarHBondContact O-N 3.17Å; A217-D221 WeakPolarHBondContact O-CB 3.11Å; A217-D221 PolarHBondContact O-N 3.48Å
218D95.8Very high95.9Very high133 Ų13335 Ų3571%0.71120%0.197SC*.Hα-helixtrans-65.4-37.6179.8-63.5-28.1000111.9S216 G222S216-D218 VanDerWaalsContact C-N 3.32Å; S216-D218 PolarHBondContact OG-N 2.85Å; D218-G222 PolarHBondContact O-N 3.09Å
219I96.7Very high95.9Very high29 Ų2935 Ų3515%0.14920%0.197CC..Hα-helixtrans-67.2-44.7176.9-69.3-179.5000110.5F69 D193 L194 A214 S216 A217 D221 G222 I223F69-I219 HydrophobicContact CE1-CG2 3.98Å; D193-I219 HydrophobicContact CB-CD1 4.24Å; L194-I219 HydrophobicContact CD1-CG2 4.44Å; L194-I219 HydrophobicContact CD2-CG2 3.49Å; L194-I219 VanDerWaalsContact CD2-CG2 3.49Å; L194-I219 HydrophobicContact CG-CG2 3.87Å; A214-I219 HydrophobicContact CB-CB 4.4Å; A214-I219 HydrophobicContact CB-CG2 3.97Å; S216-I219 PolarHBondContact O-N 3.16Å; S216-I219 PolarHBondContact OG-N 3.27Å; A217-I219 VanDerWaalsContact C-N 3.32Å; A217-I219 PolarHBondContact O-N 3.42Å; I219-D221 PolarHBondContact O-N 3.39Å; I219-G222 PolarHBondContact O-N 3.29Å; I219-I223 WeakPolarHBondContact O-CG2 3.22Å; I219-I223 PolarHBondContact O-N 3.21Å
220I95.6Very high95.7Very high5 Ų539.7 Ų39.73%0.02621%0.214CC..Hα-helixtrans-70.6-31.4-177.5-163.164.6000112.9R53 V212 A214 S216 A217 I223 S224R53-I220 HydrophobicContact CB-CD1 4.35Å; R53-I220 HydrophobicContact CG-CD1 3.82Å; R53-I220 HydrophobicContact CG-CG1 3.86Å; V212-I220 WeakPolarHBondContact O-CD1 3.32Å; A214-I220 HydrophobicContact CB-CB 4.02Å; A214-I220 HydrophobicContact CB-CD1 4.21Å; S216-I220 PolarHBondContact O-N 3.02Å; S216-I220 VanDerWaalsContact O-N 3.12Å; A217-I220 WeakPolarHBondContact O-CG2 3.35Å; A217-I220 PolarHBondContact O-N 3.17Å; I220-I223 HydrophobicContact CD1-CG2 3.88Å; I220-I223 WeakPolarHBondContact O-CG2 3.3Å; I220-S224 PolarHBondContact O-N 3.03Å
221D94.2Very high95.5Very high61 Ų6140.1 Ų40.133%0.32622%0.217SC..Hα-helixtrans-77.8-33.6173-72-15.9000111.7R53 A217 I219 S224 R225R53-D221 IonicContact CZ-OD1 3.53Å; R53-D221 IonicContact NH2-OD1 3.07Å; R53-D221 PolarHBondContact NH2-OD1 3.4Å; A217-D221 WeakPolarHBondContact O-CB 3.11Å; A217-D221 PolarHBondContact O-N 3.48Å; I219-D221 PolarHBondContact O-N 3.39Å; D221-S224 PolarHBondContact O-N 3.1Å; D221-S224 PolarHBondContact O-OG 3.24Å; D221-R225 WeakPolarHBondContact O-CG 3.38Å; D221-R225 PolarHBondContact O-N 3.11Å
222G95.7Very high95.3Very high19 Ų1942.4 Ų42.420%0.19623%0.234CC..Hα-helixtrans-61.9-43173.200000112.8F69 D218 I219 R225F69-G222 WeakPolarHBondContact CD2-O 3.16Å; F69-G222 VanDerWaalsContact CE2-CA 3.46Å; D218-G222 PolarHBondContact O-N 3.09Å; I219-G222 PolarHBondContact O-N 3.29Å; G222-R225 PolarHBondContact O-N 2.87Å
223I95.1Very high95.1Very high0 Ų042.7 Ų42.70%024%0.236CC..Hα-helixtrans-70.3-32.4178-171.766.7000112.5F55 L65 F69 V212 I219 I220 R225 I226F55-I223 HydrophobicContact CE2-CG1 4.21Å; F55-I223 HydrophobicContact CZ-CG1 4Å; L65-I223 HydrophobicContact CB-CD1 4.38Å; L65-I223 WeakPolarHBondContact O-CD1 3.41Å; F69-I223 HydrophobicContact CB-CD1 3.48Å; F69-I223 VanDerWaalsContact CB-CD1 3.48Å; F69-I223 HydrophobicContact CD1-CB 4.49Å; F69-I223 HydrophobicContact CD1-CD1 4.41Å; F69-I223 HydrophobicContact CG-CB 4.37Å; F69-I223 HydrophobicContact CG-CD1 4.04Å; V212-I223 HydrophobicContact CG1-CG1 4.47Å; I219-I223 WeakPolarHBondContact O-CG2 3.22Å; I219-I223 PolarHBondContact O-N 3.21Å; I220-I223 HydrophobicContact CD1-CG2 3.88Å; I220-I223 WeakPolarHBondContact O-CG2 3.3Å; I223-R225 PolarHBondContact O-N 3.41Å; I223-I226 HydrophobicContact CD1-CB 4.42Å; I223-I226 HydrophobicContact CD1-CG2 3.77Å; I223-I226 HydrophobicContact CG1-CG2 4.49Å; I223-I226 WeakPolarHBondContact O-CB 3.04Å; I223-I226 WeakPolarHBondContact O-CG2 3.21Å; I223-I226 PolarHBondContact O-N 3.19Å; I223-I226 VanDerWaalsContact O-N 3.13Å
224S93.8Very high94.9Very high0 Ų045.4 Ų45.40%025%0.25CS..Hα-helixtrans-63.8-33.2178.6770000112.4D15 I16 I220 D221 I226D15-S224 VanDerWaalsContact OD1-CB 3.32Å; D15-S224 WeakPolarHBondContact OD1-CB 3.43Å; D15-S224 PolarHBondContact OD1-OG 3.41Å; I16-S224 WeakPolarHBondContact CG2-O 3.46Å; I16-S224 PolarHBondContact N-O 3.36Å; I220-S224 PolarHBondContact O-N 3.03Å; D221-S224 PolarHBondContact O-N 3.1Å; D221-S224 PolarHBondContact O-OG 3.24Å; S224-I226 VanDerWaalsContact C-N 3.29Å; S224-I226 PolarHBondContact O-N 2.89Å
225R94.6Very high94.7Very high155 Ų15546.2 Ų46.259%0.58526%0.256SS*.THydrogen-bonded Turntrans-78.7-5.1177.4-61.7173.8-170.1174.48.4114.2D15 D221 G222 I223D15-R225 HydrophobicContact CB-CG 4.11Å; D15-R225 WeakPolarHBondContact OD2-CG 3.42Å; D15-R225 IonicContact OD2-NE 2.79Å; D221-R225 WeakPolarHBondContact O-CG 3.38Å; D221-R225 PolarHBondContact O-N 3.11Å; G222-R225 PolarHBondContact O-N 2.87Å; I223-R225 PolarHBondContact O-N 3.41Å
226I94Very high94.6Very high18 Ų1844.2 Ų44.29%0.09225%0.247CC..THydrogen-bonded Turntrans-77.8-26.9177.6-148.960.1000112.1L65 T68 F69 K72 I223 S224 P228L65-I226 HydrophobicContact CB-CG2 3.95Å; L65-I226 HydrophobicContact CD2-CG2 3.91Å; L65-I226 HydrophobicContact CG-CG2 4.44Å; T68-I226 HydrophobicContact CG2-CD1 4.02Å; T68-I226 HydrophobicContact CG2-CG1 3.89Å; F69-I226 HydrophobicContact CB-CB 4.48Å; F69-I226 HydrophobicContact CB-CD1 4.39Å; F69-I226 HydrophobicContact CB-CG1 4.2Å; K72-I226 HydrophobicContact CD-CD1 3.61Å; K72-I226 HydrophobicContact CG-CD1 4.33Å; I223-I226 HydrophobicContact CD1-CB 4.42Å; I223-I226 HydrophobicContact CD1-CG2 3.77Å; I223-I226 HydrophobicContact CG1-CG2 4.49Å; I223-I226 WeakPolarHBondContact O-CB 3.04Å; I223-I226 WeakPolarHBondContact O-CG2 3.21Å; I223-I226 PolarHBondContact O-N 3.19Å; I223-I226 VanDerWaalsContact O-N 3.13Å; S224-I226 VanDerWaalsContact C-N 3.29Å; S224-I226 PolarHBondContact O-N 2.89Å; I226-P228 WeakPolarHBondContact O-CD 3.35Å
227Y93.5Very high94.5Very high44 Ų4443 Ų4317%0.17324%0.237CC..SBendtrans-77.2118-174.8-169-79.1000110I16 F55 V57 L65 G229 A231I16-Y227 HydrophobicContact CD1-CD1 4.08Å; I16-Y227 HydrophobicContact CD1-CD2 4.24Å; I16-Y227 HydrophobicContact CD1-CE1 4.47Å; I16-Y227 HydrophobicContact CD1-CG 3.96Å; F55-Y227 AromaticContact CD1-CD2 3.91Å; F55-Y227 HydrophobicContact CD1-CD2 3.91Å; F55-Y227 HydrophobicContact CD1-CG 4.48Å; F55-Y227 HydrophobicContact CE1-CD2 4.33Å; V57-Y227 HydrophobicContact CG1-CE2 4.31Å; L65-Y227 HydrophobicContact CD1-CD2 3.92Å; L65-Y227 HydrophobicContact CD2-CD2 4.39Å; Y227-G229 PolarHBondContact O-N 3.31Å; Y227-A231 HydrophobicContact CD1-CB 4.34Å; Y227-A231 HydrophobicContact CE1-CB 3.56Å; Y227-A231 HydrophobicContact CE2-CB 4.45Å
228P92.3Very high94.6Very high111 Ų11142.5 Ų42.572%0.72123%0.227SC*.  trans-80.1113.7-176.831.3-32.6000110.6I226I226-P228 WeakPolarHBondContact O-CD 3.35Å
229G93.2Very high94.7Very high21 Ų2136.2 Ų36.222%0.21619%0.193CC..SBendtrans93.1-168.4174.500000114.9R12 S13 Y227R12-G229 CarbonylContact O-C 3.58Å; S13-G229 WeakPolarHBondContact O-CA 3.32Å; S13-G229 PolarHBondContact O-N 2.72Å; S13-G229 VanDerWaalsContact O-N 3.14Å; Y227-G229 PolarHBondContact O-N 3.31Å
230R93.2Very high94.7Very high100 Ų10035.9 Ų35.938%0.37719%0.192SC..  trans-80.6160173.4-59.5-171.6-169.3-154.62.9110.5H8 I10 Q20H8-R230 PolarHBondContact O-NH1 3.24Å; I10-R230 WeakPolarHBondContact O-CA 3.34Å; Q20-R230 VanDerWaalsContact OE1-NH2 3.08Å
231A94.3Very high94.7Very high8 Ų840 Ų407%0.06621%0.213CC..BIsolated β-bridgetrans-130.9165.1179.900000111.6G9 I10 I16 P56 Y227G9-A231 CarbonylContact C-O 3.16Å; G9-A231 VanDerWaalsContact CA-O 3.23Å; G9-A231 WeakPolarHBondContact CA-O 3.47Å; I10-A231 HydrophobicContact CD1-CB 4.47Å; I10-A231 HydrophobicContact CG1-CB 4.04Å; I10-A231 PolarHBondContact N-O 2.92Å; I10-A231 PolarHBondContact O-N 3.17Å; I16-A231 HydrophobicContact CD1-CB 3.62Å; I16-A231 HydrophobicContact CG1-CB 4.14Å; P56-A231 HydrophobicContact CG-CB 3.31Å; Y227-A231 HydrophobicContact CD1-CB 4.34Å; Y227-A231 HydrophobicContact CE1-CB 3.56Å; Y227-A231 HydrophobicContact CE2-CB 4.45Å
232S94.6Very high94.9Very high49 Ų4938.6 Ų38.634%0.34321%0.206SC..  trans-60.4142.2174.1174.30000111P56 D234P56-S232 WeakPolarHBondContact CB-O 3.4Å; P56-S232 WeakPolarHBondContact CG-O 3.44Å; S232-D234 PolarHBondContact OG-N 2.94Å; S232-D234 PolarHBondContact OG-OD2 2.99Å
233A93.8Very high95Very high6 Ų638.5 Ų38.55%0.0520%0.201CC..SBendtrans-85.7-14.7173.500000112.7I10 S236 I237I10-A233 HydrophobicContact CG2-CB 3.78Å; A233-S236 WeakPolarHBondContact O-CA 3.48Å; A233-S236 WeakPolarHBondContact O-CB 3.23Å; A233-S236 PolarHBondContact O-N 3.04Å; A233-I237 HydrophobicContact CB-CD1 3.83Å; A233-I237 HydrophobicContact CB-CG1 4.37Å; A233-I237 WeakPolarHBondContact O-CG1 3.33Å; A233-I237 PolarHBondContact O-N 2.98Å
234D94.2Very high95.1Very high56 Ų5644 Ų4430%0.29923%0.23SC..Hα-helixtrans-58.4-48.1-165.9-46.7-32.6000112.4F3 S232 S236 I237 D238F3-D234 HydrophobicContact CE1-CB 4.28Å; F3-D234 WeakPolarHBondContact CE1-OD1 3.44Å; S232-D234 PolarHBondContact OG-N 2.94Å; S232-D234 PolarHBondContact OG-OD2 2.99Å; D234-S236 PolarHBondContact O-N 2.76Å; D234-S236 VanDerWaalsContact O-N 3.16Å; D234-I237 PolarHBondContact O-N 2.94Å; D234-D238 PolarHBondContact O-N 3.07Å
235P95.2Very high95.3Very high17 Ų1748.6 Ų48.611%0.1126%0.262CS..Hα-helixtrans-64.6-26.6179.5-25.639.4000113.7P56 L239P56-P235 HydrophobicContact CB-CB 4.47Å; P56-P235 HydrophobicContact CB-CG 3.69Å; P235-L239 WeakPolarHBondContact O-CB 3.43Å; P235-L239 PolarHBondContact O-N 2.72Å
236S95.6Very high95.4Very high1 Ų143 Ų431%0.00724%0.243CC..Hα-helixtrans-75.9-36.8174.4-63.30000111.7S33 A233 D234 L240S33-S236 WeakPolarHBondContact CB-O 3.47Å; S33-S236 PolarHBondContact OG-O 3.46Å; A233-S236 WeakPolarHBondContact O-CA 3.48Å; A233-S236 WeakPolarHBondContact O-CB 3.23Å; A233-S236 PolarHBondContact O-N 3.04Å; D234-S236 PolarHBondContact O-N 2.76Å; D234-S236 VanDerWaalsContact O-N 3.16Å; S236-L240 VanDerWaalsContact O-CB 3.26Å; S236-L240 WeakPolarHBondContact O-CB 3.28Å; S236-L240 PolarHBondContact O-N 2.91Å
237I95.4Very high95.6Very high14 Ų1443.6 Ų43.67%0.07225%0.253CS..Hα-helixtrans-67.4-48.5176.3-66.5163.4000110.1L6 I29 A233 D234 L239 L240 I241L6-I237 HydrophobicContact CB-CD1 4.4Å; L6-I237 HydrophobicContact CD1-CD1 3.61Å; L6-I237 HydrophobicContact CD1-CG1 4.14Å; I29-I237 HydrophobicContact CG2-CG1 3.99Å; A233-I237 HydrophobicContact CB-CD1 3.83Å; A233-I237 HydrophobicContact CB-CG1 4.37Å; A233-I237 WeakPolarHBondContact O-CG1 3.33Å; A233-I237 PolarHBondContact O-N 2.98Å; D234-I237 PolarHBondContact O-N 2.94Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 3.15Å; I237-L240 WeakPolarHBondContact O-CB 3.45Å; I237-L240 PolarHBondContact O-N 2.84Å; I237-L240 VanDerWaalsContact O-N 3.17Å; I237-I241 HydrophobicContact CG2-CD1 3.73Å; I237-I241 HydrophobicContact CG2-CG1 4.39Å; I237-I241 WeakPolarHBondContact O-CG1 3.32Å; I237-I241 PolarHBondContact O-N 2.96Å
238D96.2Very high95.8Very high46 Ų4644.5 Ų44.525%0.24626%0.264CS..Hα-helixtrans-59-46179.6-70.1-19.1000111.2V205 D234 T242V205-D238 HydrophobicContact CB-CB 4.11Å; V205-D238 HydrophobicContact CG1-CB 4.07Å; D234-D238 PolarHBondContact O-N 3.07Å; D238-T242 VanDerWaalsContact O-CB 3.26Å; D238-T242 WeakPolarHBondContact O-CB 3.41Å; D238-T242 PolarHBondContact O-N 2.97Å; D238-T242 PolarHBondContact O-OG1 3.29Å
239L96.9Very high96.1Very high0 Ų043.9 Ų43.90%026%0.262CS..Hα-helixtrans-65.3-40.1177.7-172.663.3000111.9A37 I54 F203 I211 P235 I237 T242 L243A37-L239 HydrophobicContact CB-CD2 3.98Å; I54-L239 HydrophobicContact CD1-CD2 3.75Å; I54-L239 HydrophobicContact CG1-CD2 4.12Å; F203-L239 HydrophobicContact CB-CD1 3.62Å; F203-L239 HydrophobicContact CD1-CD1 3.9Å; F203-L239 HydrophobicContact CD2-CD1 3.54Å; F203-L239 HydrophobicContact CE1-CD1 4.46Å; F203-L239 HydrophobicContact CE2-CD1 4.17Å; F203-L239 HydrophobicContact CG-CD1 3.38Å; I211-L239 HydrophobicContact CD1-CD2 3.91Å; I211-L239 HydrophobicContact CG1-CD2 4.39Å; P235-L239 WeakPolarHBondContact O-CB 3.43Å; P235-L239 PolarHBondContact O-N 2.72Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 3.15Å; L239-T242 PolarHBondContact O-N 2.88Å; L239-L243 HydrophobicContact CD1-CD1 3.91Å; L239-L243 HydrophobicContact CD1-CG 3.99Å; L239-L243 HydrophobicContact CD2-CD1 4.37Å; L239-L243 HydrophobicContact CG-CD1 3.77Å; L239-L243 HydrophobicContact CG-CG 4.23Å; L239-L243 WeakPolarHBondContact O-CB 3.48Å; L239-L243 VanDerWaalsContact O-CG 3.29Å; L239-L243 WeakPolarHBondContact O-CG 3.17Å; L239-L243 PolarHBondContact O-N 3.45Å
240L97Very high96.3Very high23 Ų2343.8 Ų43.812%0.1226%0.261CS..Hα-helixtrans-61.2-52.2176.717862000111.5I29 L32 S33 L36 S236 I237 T242 L243 L244I29-L240 HydrophobicContact CB-CD2 4.4Å; I29-L240 HydrophobicContact CG1-CD2 4.25Å; I29-L240 HydrophobicContact CG2-CD2 3.88Å; L32-L240 HydrophobicContact CB-CD1 4.28Å; S33-L240 WeakPolarHBondContact OG-CB 3.48Å; L36-L240 HydrophobicContact CD1-CD1 3.5Å; L36-L240 VanDerWaalsContact CD1-CD1 3.5Å; S236-L240 VanDerWaalsContact O-CB 3.26Å; S236-L240 WeakPolarHBondContact O-CB 3.28Å; S236-L240 PolarHBondContact O-N 2.91Å; I237-L240 WeakPolarHBondContact O-CB 3.45Å; I237-L240 PolarHBondContact O-N 2.84Å; I237-L240 VanDerWaalsContact O-N 3.17Å; L240-T242 VanDerWaalsContact C-N 3.27Å; L240-T242 PolarHBondContact O-N 2.87Å; L240-L243 PolarHBondContact O-N 2.94Å; L240-L244 HydrophobicContact CD1-CD1 3.63Å; L240-L244 HydrophobicContact CD1-CG 3.98Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 WeakPolarHBondContact O-CB 3.26Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.13Å; L240-L244 PolarHBondContact O-N 3.23Å
241I96.9Very high96.6Very high91 Ų9139.2 Ų39.247%0.46724%0.244SC..Hα-helixtrans-57.4-45.9178.6-68.5169.4000109.6I237 S245I237-I241 HydrophobicContact CG2-CD1 3.73Å; I237-I241 HydrophobicContact CG2-CG1 4.39Å; I237-I241 WeakPolarHBondContact O-CG1 3.32Å; I237-I241 PolarHBondContact O-N 2.96Å; I241-S245 VanDerWaalsContact O-CB 3.23Å; I241-S245 WeakPolarHBondContact O-CB 3.18Å; I241-S245 PolarHBondContact O-N 3.31Å; I241-S245 PolarHBondContact O-OG 2.71Å
242T97.7Very high96.7Very high31 Ų3142 Ų4219%0.1926%0.257CS..Hα-helixtrans-65.9-48.7-176.8-57.20000111.8F203 V205 D238 L239 L240 L244 S245 M246F203-T242 WeakPolarHBondContact O-CG2 3.45Å; V205-T242 HydrophobicContact CG1-CG2 4.2Å; V205-T242 VanDerWaalsContact CG1-OG1 3.27Å; V205-T242 WeakPolarHBondContact CG1-OG1 3.37Å; D238-T242 VanDerWaalsContact O-CB 3.26Å; D238-T242 WeakPolarHBondContact O-CB 3.41Å; D238-T242 PolarHBondContact O-N 2.97Å; D238-T242 PolarHBondContact O-OG1 3.29Å; L239-T242 PolarHBondContact O-N 2.88Å; L240-T242 VanDerWaalsContact C-N 3.27Å; L240-T242 PolarHBondContact O-N 2.87Å; T242-L244 PolarHBondContact O-N 2.99Å; T242-S245 PolarHBondContact O-N 2.71Å; T242-M246 HydrophobicContact CG2-CE 3.5Å; T242-M246 VanDerWaalsContact CG2-CE 3.5Å; T242-M246 HydrophobicContact CG2-CG 4.5Å; T242-M246 HydrophobicContact CG2-SD 4.12Å; T242-M246 WeakPolarHBondContact O-CB 3.45Å; T242-M246 WeakPolarHBondContact O-CG 3.18Å; T242-M246 PolarHBondContact O-N 3.22Å
243L98Very high96.8Very high18 Ų1842.7 Ų42.79%0.09426%0.262CS..Hα-helixtrans-66.1-38.3179.5-70.2175.8000112.5L36 A40 F203 L239 L240 M246 G247L36-L243 HydrophobicContact CB-CB 4.48Å; L36-L243 HydrophobicContact CB-CD1 3.73Å; L36-L243 HydrophobicContact CD1-CB 4.35Å; A40-L243 HydrophobicContact CB-CD1 4.49Å; A40-L243 HydrophobicContact CB-CD2 4.17Å; F203-L243 HydrophobicContact CD1-CD2 3.82Å; F203-L243 HydrophobicContact CE1-CD2 3.93Å; L239-L243 HydrophobicContact CD1-CD1 3.91Å; L239-L243 HydrophobicContact CD1-CG 3.99Å; L239-L243 HydrophobicContact CD2-CD1 4.37Å; L239-L243 HydrophobicContact CG-CD1 3.77Å; L239-L243 HydrophobicContact CG-CG 4.23Å; L239-L243 WeakPolarHBondContact O-CB 3.48Å; L239-L243 VanDerWaalsContact O-CG 3.29Å; L239-L243 WeakPolarHBondContact O-CG 3.17Å; L239-L243 PolarHBondContact O-N 3.45Å; L240-L243 PolarHBondContact O-N 2.94Å; L243-M246 HydrophobicContact CD2-CE 4Å; L243-G247 WeakPolarHBondContact O-CA 3.47Å; L243-G247 PolarHBondContact O-N 3.28Å
244L98Very high97Very high115 Ų11543.7 Ų43.760%0.60227%0.266SS*.Hα-helixtrans-67.8-39.4174.8-70.8176.7000112.1L36 L240 T242L36-L244 HydrophobicContact CD1-CD2 3.87Å; L36-L244 HydrophobicContact CD1-CG 4.02Å; L240-L244 HydrophobicContact CD1-CD1 3.63Å; L240-L244 HydrophobicContact CD1-CG 3.98Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 WeakPolarHBondContact O-CB 3.26Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.13Å; L240-L244 PolarHBondContact O-N 3.23Å; T242-L244 PolarHBondContact O-N 2.99Å
245S97.8Very high97.2Very high96 Ų9641.7 Ų41.767%0.67126%0.255SS*.Hα-helixtrans-70.8-40.7-179.6-58.30000112.3I241 T242I241-S245 VanDerWaalsContact O-CB 3.23Å; I241-S245 WeakPolarHBondContact O-CB 3.18Å; I241-S245 PolarHBondContact O-N 3.31Å; I241-S245 PolarHBondContact O-OG 2.71Å; T242-S245 PolarHBondContact O-N 2.71Å
246M96.6Very high97.3Very high38 Ų3847.6 Ų47.619%0.18728%0.279CS..Hα-helixtrans-72.2-38.9175.9-69.5-173.6-60.400112T242 L243 G250 Y251 L254T242-M246 HydrophobicContact CG2-CE 3.5Å; T242-M246 VanDerWaalsContact CG2-CE 3.5Å; T242-M246 HydrophobicContact CG2-CG 4.5Å; T242-M246 HydrophobicContact CG2-SD 4.12Å; T242-M246 WeakPolarHBondContact O-CB 3.45Å; T242-M246 WeakPolarHBondContact O-CG 3.18Å; T242-M246 PolarHBondContact O-N 3.22Å; L243-M246 HydrophobicContact CD2-CE 4Å; M246-G250 WeakPolarHBondContact O-CA 3.26Å; M246-G250 PolarHBondContact O-N 3.08Å; M246-Y251 HydrophobicContact CE-CD2 4.08Å; M246-L254 HydrophobicContact SD-CD1 3.64Å
247G97.7Very high97.4Very high30 Ų3049.5 Ų49.531%0.30929%0.288SS..Hα-helixtrans59.8-179.3-16400000112.6L243 S249 Y251L243-G247 WeakPolarHBondContact O-CA 3.47Å; L243-G247 PolarHBondContact O-N 3.28Å; G247-S249 VanDerWaalsContact C-N 3.34Å; G247-S249 PolarHBondContact O-N 3.31Å; G247-Y251 PolarHBondContact O-N 2.68Å
248T98Very high97.5Very high64 Ų6449 Ų4939%0.39329%0.285SS..Hα-helixtrans-61.3-42.8177.3-60.60000111.9L43 L252L43-T248 HydrophobicContact CD1-CG2 3.86Å; L43-T248 HydrophobicContact CD2-CG2 4.03Å; T248-L252 HydrophobicContact CG2-CD1 3.73Å; T248-L252 HydrophobicContact CG2-CG 4.29Å; T248-L252 WeakPolarHBondContact O-CB 3.2Å; T248-L252 VanDerWaalsContact O-CG 3.3Å; T248-L252 WeakPolarHBondContact O-CG 3.29Å; T248-L252 PolarHBondContact O-N 3.13Å
249S97.8Very high97.4Very high98 Ų9849.3 Ų49.369%0.68529%0.289SS*.Hα-helixtrans-63.9-45.4-179.151.90000112.1G247 S253G247-S249 VanDerWaalsContact C-N 3.34Å; G247-S249 PolarHBondContact O-N 3.31Å; S249-S253 VanDerWaalsContact O-CB 3.22Å; S249-S253 WeakPolarHBondContact O-CB 3.36Å; S249-S253 PolarHBondContact O-N 2.91Å; S249-S253 PolarHBondContact O-OG 2.9Å
250G98.1Very high97.4Very high18 Ų1853.1 Ų53.119%0.18631%0.312CS..Hα-helixtrans-61.9-50.4178.500000111.7M246 L252 S253 L254M246-G250 WeakPolarHBondContact O-CA 3.26Å; M246-G250 PolarHBondContact O-N 3.08Å; G250-L252 PolarHBondContact O-N 3.45Å; G250-S253 PolarHBondContact O-N 3.17Å; G250-S253 PolarHBondContact O-OG 3.39Å; G250-L254 WeakPolarHBondContact O-CG 3.16Å; G250-L254 PolarHBondContact O-N 3.08Å
251Y97.9Very high97.4Very high4 Ų457 Ų572%0.01633%0.329CS..Hα-helixtrans-60.5-48.7179.9-179.3-117.8000112.5A40 S44 F203 M246 G247 S253 L254 I255 I361A40-Y251 HydrophobicContact CB-CE1 4.25Å; S44-Y251 PolarHBondContact OG-OH 3.01Å; F203-Y251 HydrophobicContact CD1-CD2 4.31Å; F203-Y251 AromaticContact CD1-CE2 3.75Å; F203-Y251 HydrophobicContact CD1-CE2 3.75Å; F203-Y251 HydrophobicContact CE1-CD2 4.38Å; F203-Y251 AromaticContact CE1-CE2 3.59Å; F203-Y251 HydrophobicContact CE1-CE2 3.59Å; F203-Y251 AromaticContact CE1-CZ 3.68Å; M246-Y251 HydrophobicContact CE-CD2 4.08Å; G247-Y251 PolarHBondContact O-N 2.68Å; Y251-S253 VanDerWaalsContact C-N 3.3Å; Y251-S253 PolarHBondContact O-N 3.01Å; Y251-L254 PolarHBondContact O-N 2.79Å; Y251-I255 HydrophobicContact CD1-CD1 4.23Å; Y251-I255 HydrophobicContact CE1-CD1 3.65Å; Y251-I255 HydrophobicContact CE2-CD1 4.15Å; Y251-I255 PolarHBondContact O-N 3.25Å; Y251-I255 VanDerWaalsContact O-N 3.17Å; Y251-I361 HydrophobicContact CE2-CD1 4.24Å
252L97.3Very high97.4Very high67 Ų6752.7 Ų52.735%0.35131%0.306SS..Hα-helixtrans-64.8-34.1177.2-68.3179.1000112.2L43 T248 G250 L254 I255 K256L43-L252 HydrophobicContact CB-CD2 4.41Å; T248-L252 HydrophobicContact CG2-CD1 3.73Å; T248-L252 HydrophobicContact CG2-CG 4.29Å; T248-L252 WeakPolarHBondContact O-CB 3.2Å; T248-L252 VanDerWaalsContact O-CG 3.3Å; T248-L252 WeakPolarHBondContact O-CG 3.29Å; T248-L252 PolarHBondContact O-N 3.13Å; G250-L252 PolarHBondContact O-N 3.45Å; L252-L254 VanDerWaalsContact C-N 3.34Å; L252-L254 PolarHBondContact O-N 3.46Å; L252-I255 PolarHBondContact O-N 2.89Å; L252-K256 VanDerWaalsContact O-CB 3.29Å; L252-K256 WeakPolarHBondContact O-CB 3.37Å; L252-K256 PolarHBondContact O-N 3.41Å
253S97.6Very high97.4Very high63 Ų6352.2 Ų52.244%0.44130%0.301SS..Hα-helixtrans-64-38.7175.981.20000112.1S249 G250 Y251 K256 E257S249-S253 VanDerWaalsContact O-CB 3.22Å; S249-S253 WeakPolarHBondContact O-CB 3.36Å; S249-S253 PolarHBondContact O-N 2.91Å; S249-S253 PolarHBondContact O-OG 2.9Å; G250-S253 PolarHBondContact O-N 3.17Å; G250-S253 PolarHBondContact O-OG 3.39Å; Y251-S253 VanDerWaalsContact C-N 3.3Å; Y251-S253 PolarHBondContact O-N 3.01Å; S253-K256 PolarHBondContact O-N 3.41Å; S253-E257 WeakPolarHBondContact O-CB 3.47Å; S253-E257 PolarHBondContact O-N 2.94Å
254L97.8Very high97.3Very high27 Ų2752.9 Ų52.914%0.14131%0.307CS..Hα-helixtrans-67.3-43.6177.4-70.4171.6000111.6M204 M246 G250 Y251 L252 K256 E257 R258 I361M204-L254 HydrophobicContact SD-CD1 4.19Å; M246-L254 HydrophobicContact SD-CD1 3.64Å; G250-L254 WeakPolarHBondContact O-CG 3.16Å; G250-L254 PolarHBondContact O-N 3.08Å; Y251-L254 PolarHBondContact O-N 2.79Å; L252-L254 VanDerWaalsContact C-N 3.34Å; L252-L254 PolarHBondContact O-N 3.46Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.91Å; L254-E257 PolarHBondContact O-N 2.82Å; L254-R258 WeakPolarHBondContact O-CB 3.34Å; L254-R258 PolarHBondContact O-N 3.1Å; L254-I361 HydrophobicContact CB-CD1 3.88Å; L254-I361 HydrophobicContact CB-CG1 3.8Å
255I97.5Very high97.2Very high15 Ų1548.7 Ų48.78%0.07729%0.289CS..Hα-helixtrans-60.3-44.3173.8-68.6177.9000110.4Y251 L252 T259 I361Y251-I255 HydrophobicContact CD1-CD1 4.23Å; Y251-I255 HydrophobicContact CE1-CD1 3.65Å; Y251-I255 HydrophobicContact CE2-CD1 4.15Å; Y251-I255 PolarHBondContact O-N 3.25Å; Y251-I255 VanDerWaalsContact O-N 3.17Å; L252-I255 PolarHBondContact O-N 2.89Å; I255-T259 VanDerWaalsContact O-CB 3.3Å; I255-T259 WeakPolarHBondContact O-CB 3.16Å; I255-T259 PolarHBondContact O-N 3.01Å; I255-T259 PolarHBondContact O-OG1 3.16Å; I255-I361 HydrophobicContact CG1-CD1 4.05Å
256K97Very high97.2Very high140 Ų14044.3 Ų44.361%0.60926%0.257SS*.Hα-helixtrans-64.9-45.7178.8-174.3176.6-179.3177.30111.8L252 S253 L254 T259 T260L252-K256 VanDerWaalsContact O-CB 3.29Å; L252-K256 WeakPolarHBondContact O-CB 3.37Å; L252-K256 PolarHBondContact O-N 3.41Å; S253-K256 PolarHBondContact O-N 3.41Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.91Å; K256-T259 PolarHBondContact O-N 2.8Å; K256-T260 HydrophobicContact CG-CG2 4.13Å; K256-T260 WeakPolarHBondContact O-CB 3.48Å; K256-T260 PolarHBondContact O-N 3.3Å; K256-T260 PolarHBondContact O-OG1 2.81Å
257E97.4Very high97.1Very high42 Ų4247.5 Ų47.520%0.19627%0.267CS..Hα-helixtrans-58.2-50.2176.9-178.3174-161.600110.6S253 L254 T259 K261 C262 K364S253-E257 WeakPolarHBondContact O-CB 3.47Å; S253-E257 PolarHBondContact O-N 2.94Å; L254-E257 PolarHBondContact O-N 2.82Å; E257-T259 PolarHBondContact O-N 3.44Å; E257-K261 HydrophobicContact CG-CD 4.46Å; E257-K261 WeakPolarHBondContact O-CA 3.5Å; E257-K261 WeakPolarHBondContact O-CB 3.26Å; E257-K261 PolarHBondContact O-N 2.97Å; E257-C262 PolarHBondContact O-N 3.2Å; E257-K364 IonicContact OE1-NZ 2.7Å; E257-K364 IonicContact OE2-NZ 3.95Å; E257-K364 PolarHBondContact OE2-NZ 2.82Å
258R97.6Very high97Very high3 Ų349.2 Ų49.21%0.01127%0.27CS..Iπ-helixtrans-55.8-49.8176.2-171.1-154.272.272.55.3112Q175 L254 Y263 P288 A359Q175-R258 PolarHBondContact O-NE 3.27Å; Q175-R258 PolarHBondContact O-NH2 2.82Å; L254-R258 WeakPolarHBondContact O-CB 3.34Å; L254-R258 PolarHBondContact O-N 3.1Å; R258-Y263 VanDerWaalsContact O-CB 3.31Å; R258-Y263 WeakPolarHBondContact O-CB 3.32Å; R258-Y263 PolarHBondContact O-N 2.94Å; R258-P288 PolarHBondContact NH1-O 3.13Å; R258-A359 WeakPolarHBondContact CD-O 3.32Å; R258-A359 VanDerWaalsContact CG-O 3.31Å; R258-A359 WeakPolarHBondContact CG-O 3.42Å; R258-A359 PolarHBondContact NH1-O 2.93Å
259T95.6Very high97Very high53 Ų5347.6 Ų47.633%0.32526%0.261SS..Iπ-helixtrans-76.4-40.1-170.8-53.70000113I255 K256 E257 P264I255-T259 VanDerWaalsContact O-CB 3.3Å; I255-T259 WeakPolarHBondContact O-CB 3.16Å; I255-T259 PolarHBondContact O-N 3.01Å; I255-T259 PolarHBondContact O-OG1 3.16Å; K256-T259 PolarHBondContact O-N 2.8Å; E257-T259 PolarHBondContact O-N 3.44Å; T259-P264 VanDerWaalsContact O-CD 3.29Å; T259-P264 WeakPolarHBondContact O-CD 3.38Å
260T96.1Very high96.9Very high80 Ų8042.9 Ų42.949%0.49123%0.228SC..Iπ-helixtrans-98.7-18.9-171.364.60000113.9K256K256-T260 HydrophobicContact CG-CG2 4.13Å; K256-T260 WeakPolarHBondContact O-CB 3.48Å; K256-T260 PolarHBondContact O-N 3.3Å; K256-T260 PolarHBondContact O-OG1 2.81Å
261K97Very high96.7Very high105 Ų10543.8 Ų43.846%0.45723%0.233SC..Iπ-helixtrans-120.3-63.4-177-56.9-179.5174.3-177.50111.8E257 P264 A265 Q365E257-K261 HydrophobicContact CG-CD 4.46Å; E257-K261 WeakPolarHBondContact O-CA 3.5Å; E257-K261 WeakPolarHBondContact O-CB 3.26Å; E257-K261 PolarHBondContact O-N 2.97Å; K261-P264 WeakPolarHBondContact O-CD 3.34Å; K261-A265 WeakPolarHBondContact O-CB 3.01Å; K261-A265 PolarHBondContact O-N 3.36Å; K261-Q365 HydrophobicContact CB-CG 4.01Å
262C97.3Very high96.7Very high0 Ų050.4 Ų50.40%026%0.258CS..Iπ-helixtrans-69-46.6-169.4-56.10000112.9E257 A265 L266 M363E257-C262 PolarHBondContact O-N 3.2Å; C262-A265 PolarHBondContact O-N 3.02Å; C262-L266 WeakPolarHBondContact O-CB 3.13Å; C262-L266 PolarHBondContact O-N 2.99Å; C262-M363 HydrophobicContact CB-CB 4.49Å; C262-M363 HydrophobicContact CB-CG 4.34Å; C262-M363 HydrophobicContact CB-SD 4.13Å; C262-M363 PolarHBondContact SG-O 3.13Å
263Y96.8Very high96.6Very high21 Ų2148 Ų488%0.08224%0.244CC..Hα-helixtrans-63.9-49.6179.2177.1-87.9000112.6R258 A265 L266 R267 N287 P288 I291 A359R258-Y263 VanDerWaalsContact O-CB 3.31Å; R258-Y263 WeakPolarHBondContact O-CB 3.32Å; R258-Y263 PolarHBondContact O-N 2.94Å; Y263-A265 PolarHBondContact O-N 3.41Å; Y263-L266 PolarHBondContact O-N 2.96Å; Y263-R267 VanDerWaalsContact O-CB 3.3Å; Y263-R267 WeakPolarHBondContact O-CB 3.44Å; Y263-R267 PolarHBondContact O-N 3.4Å; Y263-N287 PolarHBondContact OH-O 3.15Å; Y263-P288 WeakPolarHBondContact CD2-O 3.38Å; Y263-I291 HydrophobicContact CE2-CD1 4.16Å; Y263-I291 HydrophobicContact CE2-CG1 4.09Å; Y263-A359 HydrophobicContact CD2-CB 4.16Å; Y263-A359 HydrophobicContact CG-CB 4.48Å
264P95.9Very high96.4Very high32 Ų3245 Ų4521%0.20822%0.224CC..Hα-helixtrans-58.7-45174.1-26.436000113T259 K261 L266 R267 D268T259-P264 VanDerWaalsContact O-CD 3.29Å; T259-P264 WeakPolarHBondContact O-CD 3.38Å; K261-P264 WeakPolarHBondContact O-CD 3.34Å; P264-L266 PolarHBondContact O-N 3.02Å; P264-R267 PolarHBondContact O-N 2.96Å; P264-D268 WeakPolarHBondContact O-CB 3.39Å; P264-D268 VanDerWaalsContact O-CG 3.23Å; P264-D268 PolarHBondContact O-N 2.88Å
265A96.8Very high96.2Very high27 Ų2748 Ų4822%0.22325%0.247CC..Hα-helixtrans-59.3-44.9178.500000112.2K261 C262 Y263 S269 V368K261-A265 WeakPolarHBondContact O-CB 3.01Å; K261-A265 PolarHBondContact O-N 3.36Å; C262-A265 PolarHBondContact O-N 3.02Å; Y263-A265 PolarHBondContact O-N 3.41Å; A265-S269 WeakPolarHBondContact O-CB 3.36Å; A265-S269 PolarHBondContact O-N 2.9Å; A265-S269 VanDerWaalsContact O-N 3.11Å; A265-S269 PolarHBondContact O-OG 3.49Å; A265-V368 HydrophobicContact CB-CG2 4.25Å
266L97.1Very high95.9Very high3 Ų353.7 Ų53.72%0.01627%0.274CS..Hα-helixtrans-64.7-49.3176.2-179.961.3000111.5C262 Y263 P264 I270 I291 V357 A359 M363 V368 F371C262-L266 WeakPolarHBondContact O-CB 3.13Å; C262-L266 PolarHBondContact O-N 2.99Å; Y263-L266 PolarHBondContact O-N 2.96Å; P264-L266 PolarHBondContact O-N 3.02Å; L266-I270 VanDerWaalsContact O-CB 3.29Å; L266-I270 WeakPolarHBondContact O-CB 3.32Å; L266-I270 WeakPolarHBondContact O-CG2 3.43Å; L266-I270 PolarHBondContact O-N 2.95Å; L266-I291 HydrophobicContact CB-CD1 4.43Å; L266-I291 HydrophobicContact CD2-CD1 4.09Å; L266-I291 HydrophobicContact CG-CD1 3.93Å; L266-V357 HydrophobicContact CD1-CG2 4.33Å; L266-V357 HydrophobicContact CD2-CB 4.46Å; L266-V357 HydrophobicContact CD2-CG2 4.03Å; L266-V357 HydrophobicContact CG-CG2 4.31Å; L266-A359 HydrophobicContact CD2-CB 4.06Å; L266-M363 HydrophobicContact CD2-CE 4.46Å; L266-V368 HydrophobicContact CB-CG2 4.16Å; L266-F371 HydrophobicContact CD1-CD1 4.06Å; L266-F371 HydrophobicContact CD1-CE1 4.2Å
267R95.6Very high95.5Very high105 Ų10548 Ų4840%0.39625%0.249SC..Hα-helixtrans-57.3-51.6-180-176.4-160.966.7-167.2-4.7111.7Y263 P264 I270 A271 I291Y263-R267 VanDerWaalsContact O-CB 3.3Å; Y263-R267 WeakPolarHBondContact O-CB 3.44Å; Y263-R267 PolarHBondContact O-N 3.4Å; P264-R267 PolarHBondContact O-N 2.96Å; R267-I270 WeakPolarHBondContact O-CG2 3.45Å; R267-A271 WeakPolarHBondContact O-CB 3.46Å; R267-A271 PolarHBondContact O-N 3.45Å; R267-I291 HydrophobicContact CB-CD1 3.82Å; R267-I291 HydrophobicContact CG-CD1 4.42Å
268D95.6Very high95.1Very high67 Ų6748.7 Ų48.736%0.35827%0.268SS..Hα-helixtrans-71.4-39.1-173.3-64.3-15000111P264 R272P264-D268 WeakPolarHBondContact O-CB 3.39Å; P264-D268 VanDerWaalsContact O-CG 3.23Å; P264-D268 PolarHBondContact O-N 2.88Å; D268-R272 WeakPolarHBondContact O-CB 3.42Å; D268-R272 PolarHBondContact O-N 2.99Å
269S96.9Very high94.9Very high29 Ų2948.8 Ų48.820%0.20327%0.269CS..Hα-helixtrans-73.8-37.6-179.2-52.10000112.2A265 W273A265-S269 WeakPolarHBondContact O-CB 3.36Å; A265-S269 PolarHBondContact O-N 2.9Å; A265-S269 VanDerWaalsContact O-N 3.11Å; A265-S269 PolarHBondContact O-OG 3.49Å; S269-W273 WeakPolarHBondContact O-CB 3.48Å; S269-W273 PolarHBondContact O-N 2.94Å
270I95.9Very high94.7Very high0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-73.2-33.8175.1-153.1177.6000112L266 R267 W273 A274 I291 V293 V357 F371 L372L266-I270 VanDerWaalsContact O-CB 3.29Å; L266-I270 WeakPolarHBondContact O-CB 3.32Å; L266-I270 WeakPolarHBondContact O-CG2 3.43Å; L266-I270 PolarHBondContact O-N 2.95Å; R267-I270 WeakPolarHBondContact O-CG2 3.45Å; I270-W273 HydrophobicContact CG1-CE3 4.26Å; I270-W273 PolarHBondContact O-N 3.3Å; I270-A274 VanDerWaalsContact O-CB 3.26Å; I270-A274 WeakPolarHBondContact O-CB 3.47Å; I270-A274 PolarHBondContact O-N 3.14Å; I270-I291 HydrophobicContact CG2-CG2 3.83Å; I270-V293 HydrophobicContact CD1-CG2 3.6Å; I270-V293 HydrophobicContact CG1-CG2 3.84Å; I270-V293 HydrophobicContact CG2-CG2 4.33Å; I270-V357 HydrophobicContact CD1-CG1 4.23Å; I270-V357 HydrophobicContact CD1-CG2 3.62Å; I270-F371 HydrophobicContact CD1-CE1 4.11Å; I270-L372 HydrophobicContact CB-CD2 4.42Å; I270-L372 HydrophobicContact CG1-CD2 4.33Å
271A95Very high94.6Very high36 Ų3648.2 Ų48.230%0.29827%0.265SS..Hα-helixtrans-63.7-42.8173.200000111.5R267 A274 S275 V281R267-A271 WeakPolarHBondContact O-CB 3.46Å; R267-A271 PolarHBondContact O-N 3.45Å; A271-A274 PolarHBondContact O-N 2.67Å; A271-S275 WeakPolarHBondContact O-CB 3.48Å; A271-S275 PolarHBondContact O-N 3.24Å; A271-V281 HydrophobicContact CB-CG2 3.78Å
272R96.3Very high94.3Very high143 Ų14343.4 Ų43.454%0.5424%0.244SC..Hα-helixtrans-61.4-51.3174.1-170.1-174.7-57.7109.74.9111.3D268 A274 S275 E276D268-R272 WeakPolarHBondContact O-CB 3.42Å; D268-R272 PolarHBondContact O-N 2.99Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 2.7Å; R272-S275 PolarHBondContact O-N 3.02Å; R272-E276 WeakPolarHBondContact CG-OE1 3.45Å; R272-E276 WeakPolarHBondContact O-CG 3.21Å; R272-E276 PolarHBondContact O-N 3.45Å
273W96Very high93.5Very high16 Ų1644.3 Ų44.36%0.06125%0.25CS..Hα-helixtrans-56.1-45.8176.9173.881.9000112S269 I270 S275 E276 I277 V293 L372 L375 Y379S269-W273 WeakPolarHBondContact O-CB 3.48Å; S269-W273 PolarHBondContact O-N 2.94Å; I270-W273 HydrophobicContact CG1-CE3 4.26Å; I270-W273 PolarHBondContact O-N 3.3Å; W273-S275 PolarHBondContact O-N 2.87Å; W273-E276 PolarHBondContact O-N 2.85Å; W273-I277 HydrophobicContact CD2-CD1 4.27Å; W273-I277 HydrophobicContact CE3-CD1 4.1Å; W273-I277 HydrophobicContact CH2-CD1 3.34Å; W273-I277 HydrophobicContact CZ2-CD1 3.52Å; W273-I277 HydrophobicContact CZ3-CD1 3.65Å; W273-I277 WeakPolarHBondContact O-CG1 3.41Å; W273-I277 PolarHBondContact O-N 3.24Å; W273-V293 HydrophobicContact CZ3-CG1 4.13Å; W273-L372 HydrophobicContact CB-CD2 4.25Å; W273-L372 HydrophobicContact CG-CD2 4.43Å; W273-L375 HydrophobicContact CD2-CD2 3.91Å; W273-L375 HydrophobicContact CD2-CG 4.49Å; W273-L375 HydrophobicContact CE3-CD2 3.78Å; W273-L375 HydrophobicContact CH2-CD1 4.03Å; W273-L375 HydrophobicContact CH2-CD2 3.71Å; W273-L375 HydrophobicContact CH2-CG 3.81Å; W273-L375 HydrophobicContact CZ2-CD1 4.19Å; W273-L375 HydrophobicContact CZ2-CD2 3.83Å; W273-L375 HydrophobicContact CZ2-CG 3.63Å; W273-L375 HydrophobicContact CZ3-CD2 3.69Å; W273-L375 HydrophobicContact CZ3-CG 4.32Å; W273-Y379 AromaticContact CH2-CD2 3.97Å; W273-Y379 HydrophobicContact CH2-CD2 3.97Å; W273-Y379 HydrophobicContact CH2-CE2 4.47Å; W273-Y379 HydrophobicContact CH2-CG 4.28Å; W273-Y379 HydrophobicContact CZ2-CD1 4.43Å; W273-Y379 HydrophobicContact CZ2-CD2 4.08Å; W273-Y379 AromaticContact CZ2-CG 3.9Å; W273-Y379 HydrophobicContact CZ2-CG 3.9Å
274A94.4Very high92.7Very high1 Ų143.6 Ų43.61%0.00825%0.248CC..Hα-helixtrans-59.6-48.1177.900000111.4I270 A271 R272 E276 I277 G278 E279 V293I270-A274 VanDerWaalsContact O-CB 3.26Å; I270-A274 WeakPolarHBondContact O-CB 3.47Å; I270-A274 PolarHBondContact O-N 3.14Å; A271-A274 PolarHBondContact O-N 2.67Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 2.7Å; A274-E276 VanDerWaalsContact C-N 3.31Å; A274-E276 PolarHBondContact O-N 2.77Å; A274-I277 WeakPolarHBondContact O-CG1 3.16Å; A274-I277 PolarHBondContact O-N 3.16Å; A274-G278 PolarHBondContact O-N 2.97Å; A274-G278 VanDerWaalsContact O-N 3.16Å; A274-E279 CarbonylContact C-O 3.19Å; A274-E279 HydrophobicContact CB-CB 4.17Å; A274-E279 CarbonylContact O-C 3.6Å; A274-E279 PolarHBondContact O-N 3.21Å; A274-E279 VanDerWaalsContact O-O 3.05Å; A274-V293 HydrophobicContact CB-CG1 3.58Å
275S91.9Very high92Very high91 Ų9147.7 Ų47.764%0.63628%0.275SS*.Hα-helixtrans-60.6-38.7178.4-1740000112.6A271 R272 W273 I277 G278A271-S275 WeakPolarHBondContact O-CB 3.48Å; A271-S275 PolarHBondContact O-N 3.24Å; R272-S275 PolarHBondContact O-N 3.02Å; W273-S275 PolarHBondContact O-N 2.87Å; S275-I277 VanDerWaalsContact C-N 3.26Å; S275-I277 PolarHBondContact O-N 3.27Å; S275-G278 PolarHBondContact O-N 2.98Å
276E92.1Very high91.5Very high134 Ų13447.9 Ų47.963%0.62628%0.276SS*.Hα-helixtrans-64-30.8179.3-74.2169.6-172.500112.7R272 W273 A274R272-E276 WeakPolarHBondContact CG-OE1 3.45Å; R272-E276 WeakPolarHBondContact O-CG 3.21Å; R272-E276 PolarHBondContact O-N 3.45Å; W273-E276 PolarHBondContact O-N 2.85Å; A274-E276 VanDerWaalsContact C-N 3.31Å; A274-E276 PolarHBondContact O-N 2.77Å
277I88.7Confident91.4Very high20 Ų2047.8 Ų47.810%0.10328%0.276CS..THydrogen-bonded Turntrans-98.45.7178.865167.3000113.5W273 A274 S275 E279 N297 Y379 W380W273-I277 HydrophobicContact CD2-CD1 4.27Å; W273-I277 HydrophobicContact CE3-CD1 4.1Å; W273-I277 HydrophobicContact CH2-CD1 3.34Å; W273-I277 HydrophobicContact CZ2-CD1 3.52Å; W273-I277 HydrophobicContact CZ3-CD1 3.65Å; W273-I277 WeakPolarHBondContact O-CG1 3.41Å; W273-I277 PolarHBondContact O-N 3.24Å; A274-I277 WeakPolarHBondContact O-CG1 3.16Å; A274-I277 PolarHBondContact O-N 3.16Å; S275-I277 VanDerWaalsContact C-N 3.26Å; S275-I277 PolarHBondContact O-N 3.27Å; I277-E279 HydrophobicContact CD1-CB 4.15Å; I277-E279 HydrophobicContact CD1-CG 3.64Å; I277-E279 HydrophobicContact CG1-CB 4.06Å; I277-E279 HydrophobicContact CG1-CG 3.84Å; I277-N297 PolarHBondContact O-ND2 2.83Å; I277-Y379 HydrophobicContact CB-CE1 4.15Å; I277-Y379 HydrophobicContact CD1-CD1 4.24Å; I277-Y379 HydrophobicContact CD1-CD2 4.22Å; I277-Y379 HydrophobicContact CD1-CE1 3.76Å; I277-Y379 HydrophobicContact CD1-CE2 3.76Å; I277-Y379 HydrophobicContact CD1-CG 4.45Å; I277-Y379 HydrophobicContact CG2-CE1 4.25Å; I277-W380 HydrophobicContact CG2-CZ2 3.97Å
278G88.7Confident91.4Very high57 Ų5743.6 Ų43.659%0.58826%0.262SS*.THydrogen-bonded Turntrans72.227.7-178.200000114.4A274 S275 N297A274-G278 PolarHBondContact O-N 2.97Å; A274-G278 VanDerWaalsContact O-N 3.16Å; S275-G278 PolarHBondContact O-N 2.98Å; G278-N297 PolarHBondContact O-ND2 2.86Å
279E93.1Very high91.4Very high5 Ų540.5 Ų40.52%0.02325%0.246CC..  trans-105.5167169.7-65-68.7177.300110.5A274 I277 V293 S294 L295 R296 N297A274-E279 CarbonylContact C-O 3.19Å; A274-E279 HydrophobicContact CB-CB 4.17Å; A274-E279 CarbonylContact O-C 3.6Å; A274-E279 PolarHBondContact O-N 3.21Å; A274-E279 VanDerWaalsContact O-O 3.05Å; I277-E279 HydrophobicContact CD1-CB 4.15Å; I277-E279 HydrophobicContact CD1-CG 3.64Å; I277-E279 HydrophobicContact CG1-CB 4.06Å; I277-E279 HydrophobicContact CG1-CG 3.84Å; E279-V293 HydrophobicContact CB-CG1 4.15Å; E279-S294 WeakPolarHBondContact CG-O 3.41Å; E279-S294 WeakPolarHBondContact OE2-CB 3.28Å; E279-S294 PolarHBondContact OE2-OG 2.98Å; E279-L295 VanDerWaalsContact OE1-C 3.25Å; E279-L295 WeakPolarHBondContact OE1-CA 3.44Å; E279-L295 PolarHBondContact OE2-N 3.45Å; E279-R296 VanDerWaalsContact CD-N 3.33Å; E279-R296 PolarHBondContact OE1-N 2.89Å; E279-R296 PolarHBondContact OE2-N 2.83Å; E279-N297 WeakPolarHBondContact OE1-CB 3.36Å; E279-N297 PolarHBondContact OE1-N 2.93Å; E279-N297 PolarHBondContact OE1-ND2 2.96Å; E279-N297 VanDerWaalsContact OE1-ND2 3.14Å
280T92.4Very high91.4Very high69 Ų6939.1 Ų39.142%0.42324%0.236SC..  trans-127.6152.4-177.761.60000112.3V293 S294T280-V293 CarbonylContact O-C 3.56Å; T280-V293 WeakPolarHBondContact O-CA 3.5Å; T280-S294 PolarHBondContact N-OG 3.36Å; T280-S294 PolarHBondContact O-N 3.3Å; T280-S294 PolarHBondContact O-OG 2.96Å; T280-S294 PolarHBondContact OG1-OG 3.27Å
281V93.4Very high91.5Very high52 Ų5239.1 Ų39.132%0.31524%0.236SC..BIsolated β-bridgetrans-79.7129.5171.41750000109.2A271 S283 I291 A292 V293A271-V281 HydrophobicContact CB-CG2 3.78Å; V281-S283 WeakPolarHBondContact CG1-OG 3.33Å; V281-I291 HydrophobicContact CG1-CG2 4Å; V281-A292 CarbonylContact C-O 3.16Å; V281-A292 WeakPolarHBondContact CA-O 3.33Å; V281-V293 HydrophobicContact CG2-CG2 4.35Å
282L91.1Very high91.5Very high4 Ų437.4 Ų37.42%0.02122%0.222CC..  trans-104.33.3-176-52.8-178.8000113.5Q114 Y115 P146 A292 Y354Q114-L282 HydrophobicContact CB-CD2 3.75Å; Q114-L282 HydrophobicContact CG-CD2 4.43Å; Y115-L282 WeakPolarHBondContact CA-O 3.44Å; Y115-L282 VanDerWaalsContact CB-O 3.24Å; Y115-L282 WeakPolarHBondContact CB-O 3.26Å; P146-L282 HydrophobicContact CB-CB 4.22Å; P146-L282 WeakPolarHBondContact CB-O 3.2Å; L282-A292 HydrophobicContact CB-CB 4.06Å; L282-A292 PolarHBondContact N-O 3.38Å; L282-Y354 HydrophobicContact CD1-CD1 4.45Å; L282-Y354 HydrophobicContact CD1-CG 4.26Å
283S79.2Confident91.5Very high18 Ų1830.6 Ų30.613%0.12620%0.196CC..  trans-94140.2-176.652.70000112.3V281V281-S283 WeakPolarHBondContact CG1-OG 3.33Å
284S80.8Confident91.4Very high6 Ų629.9 Ų29.94%0.04219%0.194CC..  trans-65.2146168.7-169.20000111.4Y115 S148 A286 N287Y115-S284 VanDerWaalsContact CD2-CB 3.5Å; Y115-S284 VanDerWaalsContact CG-CB 3.48Å; S148-S284 WeakPolarHBondContact OG-CB 3.43Å; S284-A286 PolarHBondContact O-N 3.12Å; S284-A286 WeakPolarHBondContact OG-CB 3.4Å; S284-A286 PolarHBondContact OG-N 3.49Å; S284-N287 PolarHBondContact O-N 3.42Å
285P82Confident91.4Very high119 Ų11929.8 Ų29.877%0.77319%0.193SC*.THydrogen-bonded Turntrans-52.7-19.5158.3-22.833.5000112.5N287P285-N287 VanDerWaalsContact C-N 3.33Å; P285-N287 PolarHBondContact O-N 3.43Å
286A85.2Confident91.4Very high30 Ų3029.4 Ų29.425%0.24818%0.178CC..THydrogen-bonded Turntrans-71.1-20.5177.600000114.8P149 K178 S284 P288P149-A286 WeakPolarHBondContact CD-O 3.4Å; K178-A286 PolarHBondContact NZ-O 3.27Å; S284-A286 PolarHBondContact O-N 3.12Å; S284-A286 WeakPolarHBondContact OG-CB 3.4Å; S284-A286 PolarHBondContact OG-N 3.49Å; A286-P288 VanDerWaalsContact O-CD 3.26Å; A286-P288 WeakPolarHBondContact O-CD 3.36Å
287N94.5Very high91.3Very high2 Ų224.5 Ų24.51%0.01116%0.156CC..  trans-92.2102.4177-169.4-32.8000110.5C143 R147 Y263 S284 P285 I289 S290C143-N287 PolarHBondContact O-ND2 2.83Å; R147-N287 PolarHBondContact O-ND2 3.36Å; Y263-N287 PolarHBondContact OH-O 3.15Å; S284-N287 PolarHBondContact O-N 3.42Å; P285-N287 VanDerWaalsContact C-N 3.33Å; P285-N287 PolarHBondContact O-N 3.43Å; N287-I289 PolarHBondContact O-N 3.32Å; N287-I289 PolarHBondContact OD1-N 2.87Å; N287-S290 PolarHBondContact OD1-N 3.22Å
288P95.3Very high91.4Very high17 Ų1723.6 Ų23.611%0.1115%0.151CC..SBendtrans-85.28.1-168.935.8-34.4000113.8S176 I179 R258 Y263 A286S176-P288 WeakPolarHBondContact OG-CG 3.26Å; I179-P288 HydrophobicContact CD1-CG 3.91Å; I179-P288 HydrophobicContact CG1-CG 4.01Å; R258-P288 PolarHBondContact NH1-O 3.13Å; Y263-P288 WeakPolarHBondContact CD2-O 3.38Å; A286-P288 VanDerWaalsContact O-CD 3.26Å; A286-P288 WeakPolarHBondContact O-CD 3.36Å
289I97.2Very high91.5Very high2 Ų221.5 Ų21.51%0.0113%0.126CC..SBendtrans-130.1-47.2-173.3-63.5165.9000111Y172 Q175 I179 N287 A358 A359Y172-I289 HydrophobicContact CD2-CD1 3.98Å; Y172-I289 HydrophobicContact CD2-CG2 4.18Å; Y172-I289 HydrophobicContact CE2-CD1 4.29Å; Y172-I289 HydrophobicContact CE2-CG2 4.03Å; Y172-I289 WeakPolarHBondContact O-CD1 3.34Å; Q175-I289 HydrophobicContact CG-CD1 4.06Å; I179-I289 HydrophobicContact CD1-CD1 3.92Å; N287-I289 PolarHBondContact O-N 3.32Å; N287-I289 PolarHBondContact OD1-N 2.87Å; I289-A358 HydrophobicContact CG2-CB 4.17Å; I289-A358 CarbonylContact O-C 3.32Å; I289-A358 WeakPolarHBondContact O-CA 3.33Å; I289-A358 WeakPolarHBondContact O-CB 3.38Å; I289-A359 PolarHBondContact O-N 3.39Å
290S97.3Very high91.2Very high0 Ų022.5 Ų22.50%014%0.136CC..EExtended strand (participates in β ladder)trans-111.1142.6-170.8-173.50000112.5A145 N287 V356 V357A145-S290 PolarHBondContact N-OG 2.85Å; N287-S290 PolarHBondContact OD1-N 3.22Å; S290-V356 WeakPolarHBondContact OG-CG1 3.46Å; S290-V357 CarbonylContact C-O 3.6Å; S290-V357 WeakPolarHBondContact CA-O 3.26Å; S290-V357 PolarHBondContact OG-O 3.34Å
291I96.3Very high90.9Very high0 Ų021.9 Ų21.90%013%0.129CC..EExtended strand (participates in β ladder)trans-125.3138.5179.1-60.6149000108Y263 L266 R267 I270 V281 V356 V357Y263-I291 HydrophobicContact CE2-CD1 4.16Å; Y263-I291 HydrophobicContact CE2-CG1 4.09Å; L266-I291 HydrophobicContact CB-CD1 4.43Å; L266-I291 HydrophobicContact CD2-CD1 4.09Å; L266-I291 HydrophobicContact CG-CD1 3.93Å; R267-I291 HydrophobicContact CB-CD1 3.82Å; R267-I291 HydrophobicContact CG-CD1 4.42Å; I270-I291 HydrophobicContact CG2-CG2 3.83Å; V281-I291 HydrophobicContact CG1-CG2 4Å; I291-V356 WeakPolarHBondContact O-CA 3.14Å; I291-V357 HydrophobicContact CB-CG2 4Å; I291-V357 PolarHBondContact N-O 3.07Å; I291-V357 PolarHBondContact O-N 3.31Å
292A96.1Very high90.5Very high0 Ų019.5 Ų19.50%012%0.115CC..EExtended strand (participates in β ladder)trans-117.6139.8174.200000109.6A145 P146 V281 L282 Y354 L355A145-A292 HydrophobicContact CB-CB 3.58Å; P146-A292 HydrophobicContact CB-CB 4.46Å; V281-A292 CarbonylContact C-O 3.16Å; V281-A292 WeakPolarHBondContact CA-O 3.33Å; L282-A292 HydrophobicContact CB-CB 4.06Å; L282-A292 PolarHBondContact N-O 3.38Å; A292-Y354 HydrophobicContact CB-CD2 3.98Å; A292-Y354 HydrophobicContact CB-CE2 4.48Å; A292-L355 CarbonylContact C-O 3.55Å; A292-L355 VanDerWaalsContact CA-O 3.26Å; A292-L355 WeakPolarHBondContact CA-O 3.34Å
293V95.3Very high89.8Confident0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-124.7132.2177.3-179.10000108.6I270 W273 A274 E279 T280 V281 Y354 L355I270-V293 HydrophobicContact CD1-CG2 3.6Å; I270-V293 HydrophobicContact CG1-CG2 3.84Å; I270-V293 HydrophobicContact CG2-CG2 4.33Å; W273-V293 HydrophobicContact CZ3-CG1 4.13Å; A274-V293 HydrophobicContact CB-CG1 3.58Å; E279-V293 HydrophobicContact CB-CG1 4.15Å; T280-V293 CarbonylContact O-C 3.56Å; T280-V293 WeakPolarHBondContact O-CA 3.5Å; V281-V293 HydrophobicContact CG2-CG2 4.35Å; V293-Y354 CarbonylContact O-C 3.49Å; V293-Y354 WeakPolarHBondContact O-CA 3.32Å; V293-Y354 WeakPolarHBondContact O-CB 3.48Å; V293-L355 PolarHBondContact N-O 3.06Å; V293-L355 PolarHBondContact O-N 2.79Å
294S94.9Very high89.8Confident0 Ų029.6 Ų29.60%017%0.168CC..EExtended strand (participates in β ladder)trans-61152177.867.50000111.7E279 T280E279-S294 WeakPolarHBondContact CG-O 3.41Å; E279-S294 WeakPolarHBondContact OE2-CB 3.28Å; E279-S294 PolarHBondContact OE2-OG 2.98Å; T280-S294 PolarHBondContact N-OG 3.36Å; T280-S294 PolarHBondContact O-N 3.3Å; T280-S294 PolarHBondContact O-OG 2.96Å; T280-S294 PolarHBondContact OG1-OG 3.27Å
295L94.9Very high90Very high0 Ų036.9 Ų36.90%019%0.194CC..  trans-124.941.9172.2-62.8175.1000109.6E279 N297 L298 D299 V309 L312 V326 S353 L355 Y379E279-L295 VanDerWaalsContact OE1-C 3.25Å; E279-L295 WeakPolarHBondContact OE1-CA 3.44Å; E279-L295 PolarHBondContact OE2-N 3.45Å; L295-N297 VanDerWaalsContact C-N 3.27Å; L295-N297 PolarHBondContact O-N 2.85Å; L295-L298 HydrophobicContact CB-CB 4.27Å; L295-L298 HydrophobicContact CB-CG 4.42Å; L295-L298 HydrophobicContact CD2-CD1 4.08Å; L295-L298 HydrophobicContact CD2-CG 4.48Å; L295-L298 PolarHBondContact O-N 3.14Å; L295-L298 VanDerWaalsContact O-N 3.09Å; L295-D299 PolarHBondContact O-N 2.94Å; L295-V309 HydrophobicContact CB-CG1 4.26Å; L295-V309 HydrophobicContact CD1-CG1 3.72Å; L295-L312 HydrophobicContact CD1-CD2 4.04Å; L295-L312 HydrophobicContact CD2-CD2 3.92Å; L295-V326 HydrophobicContact CD1-CG1 3.93Å; L295-V326 HydrophobicContact CD1-CG2 4.49Å; L295-S353 PolarHBondContact N-O 3.02Å; L295-L355 HydrophobicContact CD1-CB 4.19Å; L295-L355 HydrophobicContact CD2-CB 4.35Å; L295-L355 HydrophobicContact CG-CB 4.38Å; L295-Y379 HydrophobicContact CD2-CE2 4.41Å
296R91.9Very high90Very high82 Ų8232.1 Ų32.131%0.30916%0.164SC..Hα-helixtrans-61.8-37.4-176-70.3175.5-174.2-68.3-4.6111.6Q114 E279 L298 D299 A300 T351 C352Q114-R296 VanDerWaalsContact CD-NH2 3.31Å; E279-R296 VanDerWaalsContact CD-N 3.33Å; E279-R296 PolarHBondContact OE1-N 2.89Å; E279-R296 PolarHBondContact OE2-N 2.83Å; R296-L298 VanDerWaalsContact C-N 3.31Å; R296-D299 WeakPolarHBondContact O-CB 3.45Å; R296-D299 PolarHBondContact O-N 3.44Å; R296-A300 PolarHBondContact O-N 3.27Å; R296-T351 PolarHBondContact NH1-O 2.68Å; R296-T351 PolarHBondContact NH2-OG1 3.39Å; R296-C352 HydrophobicContact CG-CB 3.71Å
297N89.5Confident89.9Confident32 Ų3233.5 Ų33.517%0.17117%0.172CC..Hα-helixtrans-66.8-36.7176.7-65.4-44.8000110.9I277 G278 E279 L295 A300 L301 Y379 Q454I277-N297 PolarHBondContact O-ND2 2.83Å; G278-N297 PolarHBondContact O-ND2 2.86Å; E279-N297 WeakPolarHBondContact OE1-CB 3.36Å; E279-N297 PolarHBondContact OE1-N 2.93Å; E279-N297 PolarHBondContact OE1-ND2 2.96Å; E279-N297 VanDerWaalsContact OE1-ND2 3.14Å; L295-N297 VanDerWaalsContact C-N 3.27Å; L295-N297 PolarHBondContact O-N 2.85Å; N297-A300 PolarHBondContact O-N 3.35Å; N297-L301 WeakPolarHBondContact O-CG 3.29Å; N297-L301 PolarHBondContact O-N 2.75Å; N297-Y379 WeakPolarHBondContact CB-OH 3.48Å; N297-Q454 PolarHBondContact OD1-NE2 3.27Å; N297-Q454 VanDerWaalsContact OD1-NE2 3.13Å
298L91.3Very high89.7Confident0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-74.8-36.1176.1-55.6-165000112.2L295 R296 A300 L301 C302 V309 L312 Y379 F382 R383L295-L298 HydrophobicContact CB-CB 4.27Å; L295-L298 HydrophobicContact CB-CG 4.42Å; L295-L298 HydrophobicContact CD2-CD1 4.08Å; L295-L298 HydrophobicContact CD2-CG 4.48Å; L295-L298 PolarHBondContact O-N 3.14Å; L295-L298 VanDerWaalsContact O-N 3.09Å; R296-L298 VanDerWaalsContact C-N 3.31Å; L298-A300 VanDerWaalsContact C-N 3.25Å; L298-A300 PolarHBondContact O-N 2.87Å; L298-L301 HydrophobicContact CD2-CD1 4.34Å; L298-L301 PolarHBondContact O-N 2.76Å; L298-L301 VanDerWaalsContact O-N 3.11Å; L298-C302 PolarHBondContact O-N 3.32Å; L298-C302 VanDerWaalsContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 3.5Å; L298-V309 HydrophobicContact CB-CG1 4.37Å; L298-V309 HydrophobicContact CB-CG2 4.23Å; L298-L312 HydrophobicContact CD1-CB 4.46Å; L298-L312 HydrophobicContact CD1-CD2 3.88Å; L298-Y379 HydrophobicContact CD1-CD2 3.98Å; L298-Y379 HydrophobicContact CD1-CE2 3.85Å; L298-Y379 HydrophobicContact CD2-CD2 4.16Å; L298-Y379 HydrophobicContact CD2-CE2 3.56Å; L298-Y379 HydrophobicContact CG-CD2 4.27Å; L298-Y379 HydrophobicContact CG-CE2 3.64Å; L298-F382 HydrophobicContact CB-CE1 3.96Å; L298-F382 HydrophobicContact CB-CZ 4.45Å; L298-F382 HydrophobicContact CD1-CD1 3.88Å; L298-F382 HydrophobicContact CD1-CE1 3.99Å; L298-F382 HydrophobicContact CD1-CG 4.19Å; L298-F382 HydrophobicContact CD1-CZ 4.35Å; L298-F382 HydrophobicContact CD2-CD1 3.6Å; L298-F382 HydrophobicContact CD2-CE1 3.88Å; L298-F382 HydrophobicContact CG-CD1 4.2Å; L298-F382 HydrophobicContact CG-CE1 4.16Å; L298-R383 HydrophobicContact CD2-CG 3.72Å
299D90.2Very high89.6Confident13 Ų1334.5 Ų34.57%0.0718%0.176CC..Hα-helixtrans-53.8-45.9170.6-81.9-27000110.6L295 R296 L301 C302 N303 C352 S353L295-D299 PolarHBondContact O-N 2.94Å; R296-D299 WeakPolarHBondContact O-CB 3.45Å; R296-D299 PolarHBondContact O-N 3.44Å; D299-L301 PolarHBondContact O-N 3.38Å; D299-C302 CarbonylContact O-C 3.43Å; D299-C302 PolarHBondContact O-N 2.75Å; D299-N303 PolarHBondContact O-N 2.91Å; D299-N303 PolarHBondContact O-OD1 2.98Å; D299-C352 WeakPolarHBondContact OD2-CB 3.45Å; D299-S353 WeakPolarHBondContact OD1-CB 3.45Å; D299-S353 PolarHBondContact OD1-OG 3.01Å; D299-S353 PolarHBondContact OD2-N 2.86Å
300A86.9Confident89.4Confident27 Ų2736.7 Ų36.722%0.22319%0.191CC..Hα-helixtrans-63.8-26179.600000113.8R296 N297 L298 N303R296-A300 PolarHBondContact O-N 3.27Å; N297-A300 PolarHBondContact O-N 3.35Å; L298-A300 VanDerWaalsContact C-N 3.25Å; L298-A300 PolarHBondContact O-N 2.87Å; A300-N303 PolarHBondContact O-ND2 2.8Å; A300-N303 VanDerWaalsContact O-ND2 3.1Å
301L85.5Confident89.2Confident55 Ų5537.7 Ų37.729%0.28820%0.199SC..Hα-helixtrans-82.2-18.6173.7-60.4-178.1000112.7N297 L298 D299 R383N297-L301 WeakPolarHBondContact O-CG 3.29Å; N297-L301 PolarHBondContact O-N 2.75Å; L298-L301 HydrophobicContact CD2-CD1 4.34Å; L298-L301 PolarHBondContact O-N 2.76Å; L298-L301 VanDerWaalsContact O-N 3.11Å; D299-L301 PolarHBondContact O-N 3.38Å; L301-R383 HydrophobicContact CD1-CB 4.25Å; L301-R383 HydrophobicContact CD1-CG 3.95Å
302C84.7Confident89.1Confident3 Ų337.7 Ų37.72%0.0220%0.199CC..  trans-112.221.8-172.7-600000113.1L298 D299 D304 R305 P306 N308 V309 F382L298-C302 PolarHBondContact O-N 3.32Å; L298-C302 VanDerWaalsContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 3.5Å; D299-C302 CarbonylContact O-C 3.43Å; D299-C302 PolarHBondContact O-N 2.75Å; C302-D304 PolarHBondContact O-N 3.48Å; C302-D304 VanDerWaalsContact O-N 3.16Å; C302-R305 CarbonylContact O-C 3.56Å; C302-R305 PolarHBondContact O-N 2.78Å; C302-P306 WeakPolarHBondContact O-CA 3.26Å; C302-P306 VanDerWaalsContact O-N 3.08Å; C302-N308 HydrophobicContact CB-CB 4.1Å; C302-V309 HydrophobicContact CB-CG2 3.9Å; C302-F382 VanDerWaalsContact SG-CZ 3.6Å
303N77.1Confident89.1Confident96 Ų9638.5 Ų38.551%0.51321%0.207SC..THydrogen-bonded Turntrans-51.9-41.2-176-70.6-31.2000113.3D299 A300 R305D299-N303 PolarHBondContact O-N 2.91Å; D299-N303 PolarHBondContact O-OD1 2.98Å; A300-N303 PolarHBondContact O-ND2 2.8Å; A300-N303 VanDerWaalsContact O-ND2 3.1Å; N303-R305 VanDerWaalsContact C-N 3.27Å; N303-R305 PolarHBondContact O-N 3.45Å
304D79.2Confident89Confident138 Ų13842.3 Ų42.374%0.73823%0.234SC*.THydrogen-bonded Turntrans-71-23.9-178.7-56.4-33000112.4C302 R388C302-D304 PolarHBondContact O-N 3.48Å; C302-D304 VanDerWaalsContact O-N 3.16Å; D304-R388 IonicContact OD2-NH2 2.68Å; D304-R388 PolarHBondContact OD2-NH2 3.16Å; D304-R388 VanDerWaalsContact OD2-NH2 3.13Å
305R84.1Confident89Confident158 Ų15843.7 Ų43.760%0.59624%0.241SC*.  trans-152.984.2-179.1-172.1171.8-178174.84.5110.5C302 N303 S307 N308C302-R305 CarbonylContact O-C 3.56Å; C302-R305 PolarHBondContact O-N 2.78Å; N303-R305 VanDerWaalsContact C-N 3.27Å; N303-R305 PolarHBondContact O-N 3.45Å; R305-S307 WeakPolarHBondContact CG-OG 3.49Å; R305-S307 PolarHBondContact O-N 3.13Å; R305-N308 WeakPolarHBondContact CD-OD1 3.39Å; R305-N308 VanDerWaalsContact O-CB 3.27Å; R305-N308 WeakPolarHBondContact O-CB 3.23Å; R305-N308 PolarHBondContact O-N 3.27Å
306P81.8Confident89.1Confident20 Ų2043.8 Ų43.813%0.1324%0.241CC..G310 helixtrans-55.5-30.3-175.1-29.936.6000114.3C302 N308 V309 K329 E330C302-P306 WeakPolarHBondContact O-CA 3.26Å; C302-P306 VanDerWaalsContact O-N 3.08Å; P306-N308 PolarHBondContact O-N 2.98Å; P306-N308 VanDerWaalsContact O-N 3.12Å; P306-V309 PolarHBondContact O-N 3.41Å; P306-K329 HydrophobicContact CB-CG 4.46Å; P306-E330 HydrophobicContact CB-CB 4.47Å
307S84.1Confident89.2Confident59 Ų5947.1 Ų47.141%0.41326%0.258SS..G310 helixtrans-61.6-17.2175.753.70000114.4R305 V309 C310R305-S307 WeakPolarHBondContact CG-OG 3.49Å; R305-S307 PolarHBondContact O-N 3.13Å; S307-V309 PolarHBondContact O-N 2.92Å; S307-C310 VanDerWaalsContact O-CB 3.28Å; S307-C310 WeakPolarHBondContact O-CB 3.47Å; S307-C310 PolarHBondContact O-N 3.31Å; S307-C310 VanDerWaalsContact O-N 3.14Å
308N89.9Confident89.5Confident40 Ų4049.4 Ų49.421%0.21428%0.277CS..G310 helixtrans-62.2-26.2176.4-77.4-12.6000112.7C302 R305 P306 C310 A311 F382 Y386C302-N308 HydrophobicContact CB-CB 4.1Å; R305-N308 WeakPolarHBondContact CD-OD1 3.39Å; R305-N308 VanDerWaalsContact O-CB 3.27Å; R305-N308 WeakPolarHBondContact O-CB 3.23Å; R305-N308 PolarHBondContact O-N 3.27Å; P306-N308 PolarHBondContact O-N 2.98Å; P306-N308 VanDerWaalsContact O-N 3.12Å; N308-C310 PolarHBondContact O-N 2.9Å; N308-C310 VanDerWaalsContact O-N 3.12Å; N308-A311 VanDerWaalsContact O-CB 3.25Å; N308-A311 WeakPolarHBondContact O-CB 3.49Å; N308-A311 PolarHBondContact O-N 2.85Å; N308-F382 VanDerWaalsContact O-CE2 3.26Å; N308-F382 WeakPolarHBondContact O-CE2 3.11Å; N308-Y386 HydrophobicContact CB-CD1 4.32Å; N308-Y386 HydrophobicContact CB-CE1 3.82Å
309V92.7Very high89.6Confident0 Ų053 Ų530%029%0.29CS..G310 helixtrans-55.7-31175.6178.40000111.5L295 L298 C302 P306 S307 A311 L312 V326L295-V309 HydrophobicContact CB-CG1 4.26Å; L295-V309 HydrophobicContact CD1-CG1 3.72Å; L298-V309 HydrophobicContact CB-CG1 4.37Å; L298-V309 HydrophobicContact CB-CG2 4.23Å; C302-V309 HydrophobicContact CB-CG2 3.9Å; P306-V309 PolarHBondContact O-N 3.41Å; S307-V309 PolarHBondContact O-N 2.92Å; V309-A311 PolarHBondContact O-N 3.21Å; V309-A311 VanDerWaalsContact O-N 3.09Å; V309-L312 WeakPolarHBondContact O-CB 3.32Å; V309-L312 PolarHBondContact O-N 3.42Å; V309-L312 VanDerWaalsContact O-N 3.13Å; V309-V326 HydrophobicContact CG1-CG1 3.86Å
310C93.4Very high89.8Confident47 Ų4759.6 Ų59.632%0.31833%0.325SS..G310 helixtrans-60.3-19.4175.2-640000114S307 N308 L312 G313 S314S307-C310 VanDerWaalsContact O-CB 3.28Å; S307-C310 WeakPolarHBondContact O-CB 3.47Å; S307-C310 PolarHBondContact O-N 3.31Å; S307-C310 VanDerWaalsContact O-N 3.14Å; N308-C310 PolarHBondContact O-N 2.9Å; N308-C310 VanDerWaalsContact O-N 3.12Å; C310-L312 PolarHBondContact O-N 2.92Å; C310-G313 WeakPolarHBondContact O-CA 3.47Å; C310-G313 PolarHBondContact O-N 2.67Å; C310-S314 PolarHBondContact O-N 2.88Å
311A93.3Very high90.1Very high21 Ų2159.4 Ų59.417%0.17432%0.321CS..Hα-helixtrans-62.2-27.9176.400000112.1N308 V309 G313 S314 M315 F382 Y386N308-A311 VanDerWaalsContact O-CB 3.25Å; N308-A311 WeakPolarHBondContact O-CB 3.49Å; N308-A311 PolarHBondContact O-N 2.85Å; V309-A311 PolarHBondContact O-N 3.21Å; V309-A311 VanDerWaalsContact O-N 3.09Å; A311-G313 VanDerWaalsContact C-N 3.28Å; A311-G313 PolarHBondContact O-N 2.89Å; A311-S314 PolarHBondContact O-N 2.64Å; A311-M315 VanDerWaalsContact O-CG 3.22Å; A311-M315 WeakPolarHBondContact O-CG 3.03Å; A311-M315 PolarHBondContact O-N 3.48Å; A311-F382 HydrophobicContact CB-CD2 4.25Å; A311-F382 HydrophobicContact CB-CE2 3.91Å; A311-Y386 HydrophobicContact CB-CE2 4.05Å
312L95.4Very high90.3Very high0 Ų061.7 Ų61.70%034%0.341CS..Hα-helixtrans-58.3-42.6170.7178.464.2000111L295 L298 V309 C310 S314 M315 L316 V326 A378 F382L295-L312 HydrophobicContact CD1-CD2 4.04Å; L295-L312 HydrophobicContact CD2-CD2 3.92Å; L298-L312 HydrophobicContact CD1-CB 4.46Å; L298-L312 HydrophobicContact CD1-CD2 3.88Å; V309-L312 WeakPolarHBondContact O-CB 3.32Å; V309-L312 PolarHBondContact O-N 3.42Å; V309-L312 VanDerWaalsContact O-N 3.13Å; C310-L312 PolarHBondContact O-N 2.92Å; L312-S314 PolarHBondContact O-N 3.12Å; L312-M315 WeakPolarHBondContact O-CB 3.37Å; L312-M315 PolarHBondContact O-N 3.31Å; L312-M315 VanDerWaalsContact O-N 3.16Å; L312-L316 HydrophobicContact CG-CD1 4.42Å; L312-L316 WeakPolarHBondContact O-CG 3.37Å; L312-L316 PolarHBondContact O-N 3.21Å; L312-V326 HydrophobicContact CB-CG2 4.21Å; L312-V326 HydrophobicContact CD2-CG2 4.34Å; L312-V326 HydrophobicContact CG-CG2 4.3Å; L312-A378 HydrophobicContact CD1-CB 3.98Å; L312-F382 HydrophobicContact CB-CD2 4.06Å; L312-F382 HydrophobicContact CB-CE2 4.4Å
313G94.7Very high90.5Very high17 Ų1765 Ų6518%0.17538%0.376CS..Hα-helixtrans-60.6-43.417600000112.3C310 A311 M315 L316 F317C310-G313 WeakPolarHBondContact O-CA 3.47Å; C310-G313 PolarHBondContact O-N 2.67Å; A311-G313 VanDerWaalsContact C-N 3.28Å; A311-G313 PolarHBondContact O-N 2.89Å; G313-M315 VanDerWaalsContact C-N 3.32Å; G313-M315 PolarHBondContact O-N 3.14Å; G313-L316 PolarHBondContact O-N 3.38Å; G313-F317 WeakPolarHBondContact O-CB 3.47Å; G313-F317 PolarHBondContact O-N 2.82Å
314S93.4Very high91.3Very high80 Ų8061.6 Ų61.656%0.55936%0.361SS*.Hα-helixtrans-64.9-34.3174.7-56.10000112.8C310 A311 L312 S318C310-S314 PolarHBondContact O-N 2.88Å; A311-S314 PolarHBondContact O-N 2.64Å; L312-S314 PolarHBondContact O-N 3.12Å; S314-S318 WeakPolarHBondContact O-CB 3.14Å; S314-S318 PolarHBondContact O-N 3.16Å; S314-S318 PolarHBondContact O-OG 3.2Å
315M96Very high92.1Very high30 Ų3058.2 Ų58.215%0.14834%0.338CS..Hα-helixtrans-69.7-37.8177-70.7171.373.200112.2A311 L312 G313 S318 R319 A378 K381 F382A311-M315 VanDerWaalsContact O-CG 3.22Å; A311-M315 WeakPolarHBondContact O-CG 3.03Å; A311-M315 PolarHBondContact O-N 3.48Å; L312-M315 WeakPolarHBondContact O-CB 3.37Å; L312-M315 PolarHBondContact O-N 3.31Å; L312-M315 VanDerWaalsContact O-N 3.16Å; G313-M315 VanDerWaalsContact C-N 3.32Å; G313-M315 PolarHBondContact O-N 3.14Å; M315-S318 WeakPolarHBondContact CA-OG 3.37Å; M315-S318 PolarHBondContact O-OG 3.01Å; M315-R319 WeakPolarHBondContact O-CD 3.47Å; M315-R319 WeakPolarHBondContact O-CG 3.48Å; M315-R319 PolarHBondContact O-N 3.29Å; M315-R319 PolarHBondContact O-NH1 3.36Å; M315-A378 HydrophobicContact CB-CB 4.06Å; M315-A378 HydrophobicContact CE-CB 4.37Å; M315-A378 WeakPolarHBondContact CE-O 3.46Å; M315-K381 HydrophobicContact CE-CB 3.45Å; M315-K381 VanDerWaalsContact CE-CB 3.45Å; M315-F382 HydrophobicContact CE-CB 4.48Å; M315-F382 HydrophobicContact SD-CB 4.08Å; M315-F382 HydrophobicContact SD-CD2 4.29Å
316L96.4Very high92.7Very high1 Ų151.6 Ų51.61%0.00532%0.315CS..Hα-helixtrans-66.1-48.8173-69.5175.2000110.8L312 G313 S318 R319 N320 I321 A324 L355 V374 L375 A378L312-L316 HydrophobicContact CG-CD1 4.42Å; L312-L316 WeakPolarHBondContact O-CG 3.37Å; L312-L316 PolarHBondContact O-N 3.21Å; G313-L316 PolarHBondContact O-N 3.38Å; L316-S318 PolarHBondContact O-N 2.99Å; L316-R319 CarbonylContact O-C 2.94Å; L316-R319 WeakPolarHBondContact O-CA 3.47Å; L316-R319 PolarHBondContact O-N 3.49Å; L316-N320 PolarHBondContact O-N 2.89Å; L316-I321 HydrophobicContact CB-CB 4.07Å; L316-I321 HydrophobicContact CB-CG2 4.37Å; L316-I321 HydrophobicContact CD2-CG1 4.42Å; L316-I321 WeakPolarHBondContact O-CB 3.34Å; L316-I321 PolarHBondContact O-N 3.31Å; L316-A324 HydrophobicContact CD1-CB 3.88Å; L316-L355 HydrophobicContact CD1-CD1 3.96Å; L316-V374 HydrophobicContact CD2-CG1 4.24Å; L316-L375 HydrophobicContact CD1-CD1 4.24Å; L316-L375 HydrophobicContact CD2-CB 4.33Å; L316-L375 HydrophobicContact CD2-CD1 4.09Å; L316-A378 HydrophobicContact CD2-CB 4.1Å
317F94.7Very high93.3Very high153 Ų15350.8 Ų50.867%0.67131%0.31SS*.Hα-helixtrans-59.7-43.9179.4-176-99.3000112.5G313 R319 N320G313-F317 WeakPolarHBondContact O-CB 3.47Å; G313-F317 PolarHBondContact O-N 2.82Å; F317-R319 PolarHBondContact O-N 3.45Å; F317-N320 PolarHBondContact O-N 2.78Å
318S95Very high93.7Very high79 Ų7948.8 Ų48.855%0.55230%0.295SS*.THydrogen-bonded Turntrans-66.7-13.8176.854.70000114.2S314 M315 L316S314-S318 WeakPolarHBondContact O-CB 3.14Å; S314-S318 PolarHBondContact O-N 3.16Å; S314-S318 PolarHBondContact O-OG 3.2Å; M315-S318 WeakPolarHBondContact CA-OG 3.37Å; M315-S318 PolarHBondContact O-OG 3.01Å; L316-S318 PolarHBondContact O-N 2.99Å
319R94Very high93.7Very high75 Ų7549.5 Ų49.528%0.28330%0.296SS..THydrogen-bonded Turntrans-104.825.9173.7-66.7168.8-179.856.72.8111.9M315 L316 F317 I321 V374 D377M315-R319 WeakPolarHBondContact O-CD 3.47Å; M315-R319 WeakPolarHBondContact O-CG 3.48Å; M315-R319 PolarHBondContact O-N 3.29Å; M315-R319 PolarHBondContact O-NH1 3.36Å; L316-R319 CarbonylContact O-C 2.94Å; L316-R319 WeakPolarHBondContact O-CA 3.47Å; L316-R319 PolarHBondContact O-N 3.49Å; F317-R319 PolarHBondContact O-N 3.45Å; R319-I321 PolarHBondContact O-N 3.38Å; R319-V374 HydrophobicContact CB-CG1 3.53Å; R319-V374 HydrophobicContact CG-CG1 4.26Å; R319-D377 IonicContact CZ-OD2 3.13Å; R319-D377 IonicContact NE-OD2 3.19Å; R319-D377 PolarHBondContact NE-OD2 2.82Å; R319-D377 IonicContact NH2-OD2 2.88Å
320N92.9Very high93.4Very high152 Ų15255 Ų5581%0.81332%0.322SS*.THydrogen-bonded Turntrans63.221.6176.6-54.5-43.4000115L316 F317 S322L316-N320 PolarHBondContact O-N 2.89Å; F317-N320 PolarHBondContact O-N 2.78Å; N320-S322 PolarHBondContact O-N 2.93Å
321I93.6Very high93Very high24 Ų2454.1 Ų54.112%0.12332%0.319CS..  trans-88.3107.8169.8-55.3-56.9000108.7L316 R319 A324 F371 V374L316-I321 HydrophobicContact CB-CB 4.07Å; L316-I321 HydrophobicContact CB-CG2 4.37Å; L316-I321 HydrophobicContact CD2-CG1 4.42Å; L316-I321 WeakPolarHBondContact O-CB 3.34Å; L316-I321 PolarHBondContact O-N 3.31Å; R319-I321 PolarHBondContact O-N 3.38Å; I321-A324 HydrophobicContact CG2-CB 3.88Å; I321-F371 HydrophobicContact CD1-CD2 4.31Å; I321-F371 HydrophobicContact CG1-CD2 4.48Å; I321-F371 HydrophobicContact CG2-CD2 3.75Å; I321-F371 HydrophobicContact CG2-CE2 3.96Å; I321-V374 HydrophobicContact CD1-CB 4.12Å; I321-V374 HydrophobicContact CD1-CG1 4.11Å; I321-V374 HydrophobicContact CD1-CG2 4.31Å; I321-V374 HydrophobicContact CG1-CB 4.03Å; I321-V374 HydrophobicContact CG1-CG1 3.49Å; I321-V374 VanDerWaalsContact CG1-CG1 3.49Å
322S89.5Confident92.9Very high103 Ų10359.4 Ų59.472%0.7234%0.344SS*.  trans-95.1157.5172.377.40000111.2N320 A324N320-S322 PolarHBondContact O-N 2.93Å; S322-A324 PolarHBondContact O-N 2.93Å; S322-A324 VanDerWaalsContact O-N 3.13Å
323G89.2Confident92.8Very high73 Ų7360.1 Ų60.175%0.75335%0.35SS*.SBendtrans80.6-19.2175.300000116.2R325G323-R325 PolarHBondContact O-N 3.36Å
324A94.6Very high92.8Very high24 Ų2465.6 Ų65.620%0.19837%0.374CS..  trans-68.8126.8170.700000110.8L316 I321 S322 L355 V356L316-A324 HydrophobicContact CD1-CB 3.88Å; I321-A324 HydrophobicContact CG2-CB 3.88Å; S322-A324 PolarHBondContact O-N 2.93Å; S322-A324 VanDerWaalsContact O-N 3.13Å; A324-L355 HydrophobicContact CB-CD1 4.22Å; A324-V356 WeakPolarHBondContact CA-O 3.15Å
325R95Very high92.9Very high67 Ų6762.4 Ų62.425%0.25335%0.35SS..EExtended strand (participates in β ladder)trans-122.3119-177.2179.7-178.4-178.6-178.1-0.8110.8G323 V327 L355 V356G323-R325 PolarHBondContact O-N 3.36Å; R325-V327 HydrophobicContact CG-CG2 4.13Å; R325-L355 CarbonylContact O-C 3.58Å; R325-V356 HydrophobicContact CB-CB 4.25Å; R325-V356 PolarHBondContact N-O 2.91Å; R325-V356 PolarHBondContact O-N 3.26Å
326V96.2Very high92.8Very high19 Ų1965.4 Ų65.412%0.11537%0.367CS..EExtended strand (participates in β ladder)trans-88.2128.5169.1177.70000109.2L295 V309 L312 Y354 L355L295-V326 HydrophobicContact CD1-CG1 3.93Å; L295-V326 HydrophobicContact CD1-CG2 4.49Å; V309-V326 HydrophobicContact CG1-CG1 3.86Å; L312-V326 HydrophobicContact CB-CG2 4.21Å; L312-V326 HydrophobicContact CD2-CG2 4.34Å; L312-V326 HydrophobicContact CG-CG2 4.3Å; V326-Y354 WeakPolarHBondContact CA-O 3.44Å; V326-L355 HydrophobicContact CG2-CD1 3.88Å
327V94.4Very high92.6Very high3 Ų368.5 Ų68.52%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-114113.7176.8-178.40000108.1R325 S353 Y354 V356R325-V327 HydrophobicContact CG-CG2 4.13Å; V327-S353 CarbonylContact O-C 3.57Å; V327-S353 WeakPolarHBondContact O-CA 3.43Å; V327-S353 WeakPolarHBondContact O-CB 3.05Å; V327-Y354 HydrophobicContact CB-CD1 4.24Å; V327-Y354 HydrophobicContact CB-CD2 4.08Å; V327-Y354 HydrophobicContact CB-CE1 3.82Å; V327-Y354 HydrophobicContact CB-CE2 3.65Å; V327-Y354 HydrophobicContact CB-CG 4.35Å; V327-Y354 HydrophobicContact CG1-CE1 3.76Å; V327-Y354 HydrophobicContact CG1-CE2 4.28Å; V327-Y354 HydrophobicContact CG2-CD2 4.23Å; V327-Y354 HydrophobicContact CG2-CE2 3.54Å; V327-Y354 PolarHBondContact N-O 2.92Å; V327-Y354 PolarHBondContact O-N 2.83Å; V327-V356 HydrophobicContact CG2-CG2 4.35Å
328P92.8Very high92.6Very high16 Ų1663.1 Ų63.110%0.10438%0.377CS..  trans-73.2150.217632.1-35.5000110.8E330 A331 S353P328-E330 PolarHBondContact O-N 3.4Å; P328-A331 HydrophobicContact CG-CB 3.91Å; P328-S353 WeakPolarHBondContact CA-OG 3.46Å
329K89.6Confident92.6Very high55 Ų5563.9 Ų63.924%0.23938%0.382CS..SBendtrans-60.1-26.4175.265.2176.8-172.4177.20113.4P306 C342 P350 S353P306-K329 HydrophobicContact CB-CG 4.46Å; K329-C342 PolarHBondContact O-SG 2.86Å; K329-C342 VanDerWaalsContact O-SG 3.42Å; K329-P350 HydrophobicContact CB-CG 4.35Å; K329-P350 WeakPolarHBondContact O-CG 3.43Å; K329-S353 PolarHBondContact N-OG 3.22Å
330E86.7Confident92.7Very high115 Ų11560.7 Ų60.754%0.53737%0.37SS..  trans-126.8109.8-178.8-75.6165.2-135.200109.8P306 P328P306-E330 HydrophobicContact CB-CB 4.47Å; P328-E330 PolarHBondContact O-N 3.4Å
331A86.6Confident92.7Very high30 Ų3059.2 Ų59.225%0.24836%0.359CS..  trans-154.3120.7170.700000109.1P328 C342 W343P328-A331 HydrophobicContact CG-CB 3.91Å; A331-C342 CarbonylContact O-C 3.5Å; A331-C342 VanDerWaalsContact O-C 3.24Å; A331-C342 WeakPolarHBondContact O-CA 3.23Å; A331-C342 PolarHBondContact O-N 2.64Å; A331-W343 PolarHBondContact O-N 3.27Å
332N91Very high92.5Very high131 Ų13158.7 Ų58.770%0.70136%0.357SS*.  trans-98.9145.2174.8-64.1-30.5000109.9F340 Q341N332-F340 WeakPolarHBondContact CA-O 3.13Å; N332-Q341 WeakPolarHBondContact OD1-CA 3.35Å
333A92.4Very high92.7Very high16 Ų1655.1 Ų55.113%0.13233%0.328CS..EExtended strand (participates in β ladder)trans-136.8140.3174.400000110.7F340 W343A333-F340 PolarHBondContact N-O 2.94Å; A333-F340 PolarHBondContact O-N 2.88Å; A333-W343 HydrophobicContact CB-CB 3.56Å; A333-W343 HydrophobicContact CB-CD2 3.81Å; A333-W343 HydrophobicContact CB-CE3 4.18Å; A333-W343 HydrophobicContact CB-CG 3.52Å
334I95.4Very high92.8Very high132 Ų13251.7 Ų51.768%0.67729%0.292SS*.EExtended strand (participates in β ladder)trans-113.3122.9168.2-58.4174.4000106.9L338I334-L338 WeakPolarHBondContact CA-O 3.28Å
335I94.6Very high92.7Very high13 Ų1350.6 Ų50.67%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-130112.6-178.7-56.9166.7000107.6R88 V91 K92 G337 L338 F340 W343R88-I335 HydrophobicContact CG-CD1 3.95Å; V91-I335 HydrophobicContact CB-CG2 4.07Å; V91-I335 HydrophobicContact CG1-CB 4.17Å; V91-I335 HydrophobicContact CG1-CG2 3.73Å; K92-I335 HydrophobicContact CG-CG2 4.15Å; I335-G337 PolarHBondContact O-N 3.33Å; I335-G337 VanDerWaalsContact O-N 3.14Å; I335-L338 PolarHBondContact N-O 2.79Å; I335-L338 WeakPolarHBondContact O-CB 3.22Å; I335-L338 PolarHBondContact O-N 2.81Å; I335-F340 HydrophobicContact CB-CE2 4.47Å; I335-F340 HydrophobicContact CD1-CD2 4.37Å; I335-F340 HydrophobicContact CD1-CE2 4.37Å; I335-W343 HydrophobicContact CD1-CD2 4.17Å; I335-W343 HydrophobicContact CD1-CE3 3.93Å; I335-W343 HydrophobicContact CD1-CH2 3.12Å; I335-W343 HydrophobicContact CD1-CZ2 3.4Å; I335-W343 HydrophobicContact CD1-CZ3 3.42Å; I335-W343 VanDerWaalsContact CD1-CZ3 3.42Å
336D93.2Very high92.6Very high92 Ų9247.4 Ų47.449%0.49227%0.271SS..THydrogen-bonded Turntrans48.841.9178.3-58.2-12.6000113T95 L338T95-D336 HydrophobicContact CG2-CB 3.89Å; T95-D336 PolarHBondContact OG1-OD2 3.16Å; D336-L338 PolarHBondContact O-N 3.16Å
337G92.9Very high92.4Very high66 Ų6647.3 Ų47.368%0.6827%0.27SS*.THydrogen-bonded Turntrans89.6-16179.700000115.5I335I335-G337 PolarHBondContact O-N 3.33Å; I335-G337 VanDerWaalsContact O-N 3.14Å
338L94.5Very high92Very high41 Ų4149 Ų4922%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-83.1125.5176.3-63.7167.5000110.4V91 T95 V101 I334 I335 D336 F340V91-L338 HydrophobicContact CG1-CD1 3.74Å; T95-L338 HydrophobicContact CG2-CD1 4.06Å; V101-L338 HydrophobicContact CB-CD1 3.96Å; V101-L338 HydrophobicContact CG1-CD1 4.29Å; V101-L338 HydrophobicContact CG2-CD1 4.28Å; I334-L338 WeakPolarHBondContact CA-O 3.28Å; I335-L338 PolarHBondContact N-O 2.79Å; I335-L338 WeakPolarHBondContact O-CB 3.22Å; I335-L338 PolarHBondContact O-N 2.81Å; D336-L338 PolarHBondContact O-N 3.16Å; L338-F340 HydrophobicContact CB-CD2 4.39Å; L338-F340 HydrophobicContact CB-CE2 3.53Å; L338-F340 HydrophobicContact CB-CZ 3.85Å; L338-F340 HydrophobicContact CD1-CZ 4.25Å
339S95.6Very high91.6Very high94 Ų9453.2 Ų53.266%0.65731%0.31SS*.EExtended strand (participates in β ladder)trans-97.4125.4178.5-64.40000110.7
340F95.3Very high91.1Very high8 Ų851.9 Ų51.94%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-119.5125.6178.7-61.5-85000110.1W82 V91 V103 N332 A333 I335 L338 W343W82-F340 AromaticContact CZ3-CE1 3.97Å; W82-F340 HydrophobicContact CZ3-CE1 3.97Å; W82-F340 HydrophobicContact CZ3-CZ 4.09Å; V91-F340 HydrophobicContact CG1-CE2 4.38Å; V91-F340 HydrophobicContact CG1-CZ 4.48Å; V91-F340 HydrophobicContact CG2-CE2 4.25Å; V91-F340 HydrophobicContact CG2-CZ 4.06Å; V103-F340 HydrophobicContact CG1-CE1 4.14Å; V103-F340 HydrophobicContact CG2-CE1 4.08Å; V103-F340 HydrophobicContact CG2-CZ 4.31Å; N332-F340 WeakPolarHBondContact CA-O 3.13Å; A333-F340 PolarHBondContact N-O 2.94Å; A333-F340 PolarHBondContact O-N 2.88Å; I335-F340 HydrophobicContact CB-CE2 4.47Å; I335-F340 HydrophobicContact CD1-CD2 4.37Å; I335-F340 HydrophobicContact CD1-CE2 4.37Å; L338-F340 HydrophobicContact CB-CD2 4.39Å; L338-F340 HydrophobicContact CB-CE2 3.53Å; L338-F340 HydrophobicContact CB-CZ 3.85Å; L338-F340 HydrophobicContact CD1-CZ 4.25Å; F340-W343 HydrophobicContact CB-CE3 3.63Å; F340-W343 HydrophobicContact CB-CZ3 4.27Å; F340-W343 HydrophobicContact CD1-CE3 4.28Å; F340-W343 HydrophobicContact CD1-CZ3 4.13Å; F340-W343 AromaticContact CD2-CE3 3.74Å; F340-W343 HydrophobicContact CD2-CE3 3.74Å; F340-W343 AromaticContact CD2-CZ3 3.59Å; F340-W343 HydrophobicContact CD2-CZ3 3.59Å; F340-W343 HydrophobicContact CE1-CZ3 4.39Å; F340-W343 HydrophobicContact CE2-CE3 4.47Å; F340-W343 AromaticContact CE2-CZ3 3.87Å; F340-W343 HydrophobicContact CE2-CZ3 3.87Å; F340-W343 AromaticContact CG-CE3 3.61Å; F340-W343 HydrophobicContact CG-CE3 3.61Å; F340-W343 AromaticContact CG-CZ3 3.73Å; F340-W343 HydrophobicContact CG-CZ3 3.73Å; F340-W343 HydrophobicContact CZ-CZ3 4.26Å
341Q93.1Very high90.9Very high122 Ų12250.8 Ų50.857%0.5731%0.308SS*.THydrogen-bonded Turntrans-81.1144.5166.5-66.8-179.2-1200109.7R84 N332 W343 S348R84-Q341 PolarHBondContact NH2-O 2.92Å; N332-Q341 WeakPolarHBondContact OD1-CA 3.35Å; Q341-W343 VanDerWaalsContact C-N 3.3Å; Q341-W343 PolarHBondContact O-N 3.5Å; Q341-S348 PolarHBondContact O-OG 3.43Å
342C90.3Very high91.1Very high12 Ų1249.5 Ų49.58%0.08130%0.298CS..THydrogen-bonded Turntrans53.343.7175.7-48.80000113.8K329 A331 G344 S345 P350K329-C342 PolarHBondContact O-SG 2.86Å; K329-C342 VanDerWaalsContact O-SG 3.42Å; A331-C342 CarbonylContact O-C 3.5Å; A331-C342 VanDerWaalsContact O-C 3.24Å; A331-C342 WeakPolarHBondContact O-CA 3.23Å; A331-C342 PolarHBondContact O-N 2.64Å; C342-G344 PolarHBondContact O-N 2.81Å; C342-S345 WeakPolarHBondContact CB-OG 3.19Å; C342-S345 VanDerWaalsContact O-CB 3.27Å; C342-S345 WeakPolarHBondContact O-CB 3.39Å; C342-S345 PolarHBondContact O-N 2.96Å; C342-S345 PolarHBondContact O-OG 3.43Å; C342-P350 HydrophobicContact CB-CG 3.8Å; C342-P350 WeakPolarHBondContact SG-CD 3.36Å
343W92.9Very high91.3Very high28 Ų2843.3 Ų43.311%0.10626%0.264CS..THydrogen-bonded Turntrans-52.7125.9180-179.3-92.7000112.6D86 R88 V91 A331 A333 I335 F340 Q341D86-W343 VanDerWaalsContact C-CZ2 3.44Å; D86-W343 HydrophobicContact CB-CD2 3.91Å; D86-W343 HydrophobicContact CB-CE3 3.94Å; D86-W343 HydrophobicContact CB-CH2 4.13Å; D86-W343 HydrophobicContact CB-CZ2 4.09Å; D86-W343 HydrophobicContact CB-CZ3 4.06Å; D86-W343 WeakPolarHBondContact OD2-CA 3.32Å; R88-W343 HydrophobicContact CG-CZ2 3.83Å; V91-W343 HydrophobicContact CG2-CH2 3.92Å; V91-W343 HydrophobicContact CG2-CZ3 4.29Å; A331-W343 PolarHBondContact O-N 3.27Å; A333-W343 HydrophobicContact CB-CB 3.56Å; A333-W343 HydrophobicContact CB-CD2 3.81Å; A333-W343 HydrophobicContact CB-CE3 4.18Å; A333-W343 HydrophobicContact CB-CG 3.52Å; I335-W343 HydrophobicContact CD1-CD2 4.17Å; I335-W343 HydrophobicContact CD1-CE3 3.93Å; I335-W343 HydrophobicContact CD1-CH2 3.12Å; I335-W343 HydrophobicContact CD1-CZ2 3.4Å; I335-W343 HydrophobicContact CD1-CZ3 3.42Å; I335-W343 VanDerWaalsContact CD1-CZ3 3.42Å; F340-W343 HydrophobicContact CB-CE3 3.63Å; F340-W343 HydrophobicContact CB-CZ3 4.27Å; F340-W343 HydrophobicContact CD1-CE3 4.28Å; F340-W343 HydrophobicContact CD1-CZ3 4.13Å; F340-W343 AromaticContact CD2-CE3 3.74Å; F340-W343 HydrophobicContact CD2-CE3 3.74Å; F340-W343 AromaticContact CD2-CZ3 3.59Å; F340-W343 HydrophobicContact CD2-CZ3 3.59Å; F340-W343 HydrophobicContact CE1-CZ3 4.39Å; F340-W343 HydrophobicContact CE2-CE3 4.47Å; F340-W343 AromaticContact CE2-CZ3 3.87Å; F340-W343 HydrophobicContact CE2-CZ3 3.87Å; F340-W343 AromaticContact CG-CE3 3.61Å; F340-W343 HydrophobicContact CG-CE3 3.61Å; F340-W343 AromaticContact CG-CZ3 3.73Å; F340-W343 HydrophobicContact CG-CZ3 3.73Å; F340-W343 HydrophobicContact CZ-CZ3 4.26Å; Q341-W343 VanDerWaalsContact C-N 3.3Å; Q341-W343 PolarHBondContact O-N 3.5Å
344G91.2Very high91.4Very high1 Ų142.8 Ų42.81%0.0126%0.259CS..THydrogen-bonded Turntrans109.5-25.6-172.800000111.7D86 C342 H346 Y354D86-G344 VanDerWaalsContact CB-N 3.27Å; D86-G344 PolarHBondContact OD2-N 3.27Å; C342-G344 PolarHBondContact O-N 2.81Å; G344-H346 PolarHBondContact O-CE1 2.88Å; G344-H346 PolarHBondContact O-NE2 2.88Å; G344-Y354 PolarHBondContact O-OH 3.12Å
345S92.2Very high91.5Very high1 Ų136.5 Ų36.51%0.00723%0.227CC..SBendtrans-85.8-13-177.776.30000115.9D86 L116 C342 T347 Y354D86-S345 PolarHBondContact OD2-N 3.23Å; L116-S345 WeakPolarHBondContact CD1-O 3.49Å; C342-S345 WeakPolarHBondContact CB-OG 3.19Å; C342-S345 VanDerWaalsContact O-CB 3.27Å; C342-S345 WeakPolarHBondContact O-CB 3.39Å; C342-S345 PolarHBondContact O-N 2.96Å; C342-S345 PolarHBondContact O-OG 3.43Å; S345-T347 PolarHBondContact O-N 3.12Å; S345-T347 VanDerWaalsContact O-N 3.16Å; S345-T347 PolarHBondContact OG-O 2.86Å; S345-Y354 VanDerWaalsContact CA-OH 3.23Å; S345-Y354 WeakPolarHBondContact CA-OH 3.38Å
346H93.6Very high91.6Very high1 Ų136 Ų361%0.00522%0.224CC..SBendtrans65.98.3179.3-39-44.8000114.3D86 Q106 L116 F144 R147 G344D86-H346 WeakPolarHBondContact CB-ND1 3.36Å; D86-H346 PolarHBondContact N-ND1 3.37Å; D86-H346 WeakPolarHBondContact OD2-CA 3.42Å; D86-H346 PolarHBondContact OD2-N 3.24Å; D86-H346 IonicContact OD2-ND1 2.94Å; Q106-H346 WeakPolarHBondContact CB-O 3.44Å; Q106-H346 HydrophobicContact CG-CB 4.26Å; Q106-H346 VanDerWaalsContact CG-O 3.28Å; Q106-H346 WeakPolarHBondContact CG-O 3.2Å; L116-H346 HydrophobicContact CD1-CB 3.94Å; F144-H346 PolarHBondContact O-NE2 3.41Å; R147-H346 HydrophobicContact CB-CB 4.33Å; G344-H346 PolarHBondContact O-CE1 2.88Å; G344-H346 PolarHBondContact O-NE2 2.88Å
347T91.6Very high91.8Very high16 Ų1632.1 Ų32.110%0.09820%0.204CC..SBendtrans-152.9170.5179.1-166.20000110.1R84 E105 Q106 L116 S345R84-T347 PolarHBondContact NH1-O 3.14Å; R84-T347 PolarHBondContact NH2-O 3.09Å; E105-T347 WeakPolarHBondContact OE2-CA 3.24Å; Q106-T347 PolarHBondContact O-OG1 2.8Å; L116-T347 HydrophobicContact CD1-CG2 3.93Å; L116-T347 HydrophobicContact CD2-CG2 3.98Å; S345-T347 PolarHBondContact O-N 3.12Å; S345-T347 VanDerWaalsContact O-N 3.16Å; S345-T347 PolarHBondContact OG-O 2.86Å
348S87.3Confident92Very high40 Ų4031 Ų3128%0.2819%0.188SC..SBendtrans-140.7116.3177.4-55.20000109.9R84 Q341R84-S348 PolarHBondContact NH1-OG 3.22Å; Q341-S348 PolarHBondContact O-OG 3.43Å
349P82.9Confident92.1Very high104 Ų10429 Ų2968%0.67518%0.178SC*.SBendcis-88.9157.9-10.636.1-33.9000113.3
350P79.3Confident92.2Very high26 Ų2626.6 Ų26.617%0.16916%0.164CC..  trans-81.7163.2172.834.6-35.9000112.1K329 C342K329-P350 HydrophobicContact CB-CG 4.35Å; K329-P350 WeakPolarHBondContact O-CG 3.43Å; C342-P350 HydrophobicContact CB-CG 3.8Å; C342-P350 WeakPolarHBondContact SG-CD 3.36Å
351T83.6Confident92.3Very high93 Ų9327 Ų2757%0.57117%0.166SC*.SBendtrans-81.2-27.2-17957.20000114.6R296R296-T351 PolarHBondContact NH1-O 2.68Å; R296-T351 PolarHBondContact NH2-OG1 3.39Å
352C90.6Very high92.4Very high3 Ų322.3 Ų22.32%0.0215%0.15CC..SBendtrans-168.2169.4179.660.90000110.8R296 D299R296-C352 HydrophobicContact CG-CB 3.71Å; D299-C352 WeakPolarHBondContact OD2-CB 3.45Å
353S94.1Very high92.8Very high0 Ų023.2 Ų23.20%015%0.154CC..  trans-68.2155.8163.1-580000110L295 D299 V327 P328 K329L295-S353 PolarHBondContact N-O 3.02Å; D299-S353 WeakPolarHBondContact OD1-CB 3.45Å; D299-S353 PolarHBondContact OD1-OG 3.01Å; D299-S353 PolarHBondContact OD2-N 2.86Å; V327-S353 CarbonylContact O-C 3.57Å; V327-S353 WeakPolarHBondContact O-CA 3.43Å; V327-S353 WeakPolarHBondContact O-CB 3.05Å; P328-S353 WeakPolarHBondContact CA-OG 3.46Å; K329-S353 PolarHBondContact N-OG 3.22Å
354Y95.5Very high92.9Very high5 Ų526.4 Ų26.42%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-152.9158.5-179.859-92.9000113P146 L282 A292 V293 V326 V327 G344 S345 V356P146-Y354 VanDerWaalsContact CD-CE2 3.48Å; P146-Y354 VanDerWaalsContact CD-OH 3.32Å; P146-Y354 WeakPolarHBondContact CD-OH 3.41Å; P146-Y354 HydrophobicContact CG-CE1 4.34Å; L282-Y354 HydrophobicContact CD1-CD1 4.45Å; L282-Y354 HydrophobicContact CD1-CG 4.26Å; A292-Y354 HydrophobicContact CB-CD2 3.98Å; A292-Y354 HydrophobicContact CB-CE2 4.48Å; V293-Y354 CarbonylContact O-C 3.49Å; V293-Y354 WeakPolarHBondContact O-CA 3.32Å; V293-Y354 WeakPolarHBondContact O-CB 3.48Å; V326-Y354 WeakPolarHBondContact CA-O 3.44Å; V327-Y354 HydrophobicContact CB-CD1 4.24Å; V327-Y354 HydrophobicContact CB-CD2 4.08Å; V327-Y354 HydrophobicContact CB-CE1 3.82Å; V327-Y354 HydrophobicContact CB-CE2 3.65Å; V327-Y354 HydrophobicContact CB-CG 4.35Å; V327-Y354 HydrophobicContact CG1-CE1 3.76Å; V327-Y354 HydrophobicContact CG1-CE2 4.28Å; V327-Y354 HydrophobicContact CG2-CD2 4.23Å; V327-Y354 HydrophobicContact CG2-CE2 3.54Å; V327-Y354 PolarHBondContact N-O 2.92Å; V327-Y354 PolarHBondContact O-N 2.83Å; G344-Y354 PolarHBondContact O-OH 3.12Å; S345-Y354 VanDerWaalsContact CA-OH 3.23Å; S345-Y354 WeakPolarHBondContact CA-OH 3.38Å; Y354-V356 HydrophobicContact CD2-CG2 3.52Å; Y354-V356 HydrophobicContact CE2-CG2 3.29Å
355L96.7Very high93Very high0 Ų030.4 Ų30.40%019%0.187CC..EExtended strand (participates in β ladder)trans-100.1129.8170.9174.267000109.3A292 V293 L295 L316 A324 R325 V326 V357 L375A292-L355 CarbonylContact C-O 3.55Å; A292-L355 VanDerWaalsContact CA-O 3.26Å; A292-L355 WeakPolarHBondContact CA-O 3.34Å; V293-L355 PolarHBondContact N-O 3.06Å; V293-L355 PolarHBondContact O-N 2.79Å; L295-L355 HydrophobicContact CD1-CB 4.19Å; L295-L355 HydrophobicContact CD2-CB 4.35Å; L295-L355 HydrophobicContact CG-CB 4.38Å; L316-L355 HydrophobicContact CD1-CD1 3.96Å; A324-L355 HydrophobicContact CB-CD1 4.22Å; R325-L355 CarbonylContact O-C 3.58Å; V326-L355 HydrophobicContact CG2-CD1 3.88Å; L355-V357 HydrophobicContact CD2-CG1 4.46Å; L355-V357 HydrophobicContact CG-CG1 4.32Å; L355-L375 HydrophobicContact CD2-CD1 3.54Å; L355-L375 HydrophobicContact CD2-CD2 3.98Å; L355-L375 HydrophobicContact CD2-CG 4.43Å
356V96.8Very high93.1Very high3 Ų336.5 Ų36.52%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-106.3133.4173.1-174.10000110.2F144 A145 S290 I291 A324 R325 V327 Y354F144-V356 HydrophobicContact CB-CG1 4.15Å; F144-V356 HydrophobicContact CD1-CG1 4.1Å; F144-V356 HydrophobicContact CG-CG1 4.49Å; A145-V356 WeakPolarHBondContact O-CG2 3.16Å; S290-V356 WeakPolarHBondContact OG-CG1 3.46Å; I291-V356 WeakPolarHBondContact O-CA 3.14Å; A324-V356 WeakPolarHBondContact CA-O 3.15Å; R325-V356 HydrophobicContact CB-CB 4.25Å; R325-V356 PolarHBondContact N-O 2.91Å; R325-V356 PolarHBondContact O-N 3.26Å; V327-V356 HydrophobicContact CG2-CG2 4.35Å; Y354-V356 HydrophobicContact CD2-CG2 3.52Å; Y354-V356 HydrophobicContact CE2-CG2 3.29Å
357V97.1Very high93.2Very high10 Ų1039.7 Ų39.76%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-130.7167.8169.6-60.80000110L266 I270 S290 I291 L355 F371L266-V357 HydrophobicContact CD1-CG2 4.33Å; L266-V357 HydrophobicContact CD2-CB 4.46Å; L266-V357 HydrophobicContact CD2-CG2 4.03Å; L266-V357 HydrophobicContact CG-CG2 4.31Å; I270-V357 HydrophobicContact CD1-CG1 4.23Å; I270-V357 HydrophobicContact CD1-CG2 3.62Å; S290-V357 CarbonylContact C-O 3.6Å; S290-V357 WeakPolarHBondContact CA-O 3.26Å; S290-V357 PolarHBondContact OG-O 3.34Å; I291-V357 HydrophobicContact CB-CG2 4Å; I291-V357 PolarHBondContact N-O 3.07Å; I291-V357 PolarHBondContact O-N 3.31Å; L355-V357 HydrophobicContact CD2-CG1 4.46Å; L355-V357 HydrophobicContact CG-CG1 4.32Å; V357-F371 HydrophobicContact CG1-CE1 3.96Å; V357-F371 HydrophobicContact CG1-CE2 4.18Å; V357-F371 HydrophobicContact CG1-CZ 3.45Å; V357-F371 VanDerWaalsContact CG1-CZ 3.45Å
358A97.1Very high93.4Very high43 Ų4339.1 Ų39.136%0.35523%0.233SC..EExtended strand (participates in β ladder)trans-150.6149.9177.700000112.1I289I289-A358 HydrophobicContact CG2-CB 4.17Å; I289-A358 CarbonylContact O-C 3.32Å; I289-A358 WeakPolarHBondContact O-CA 3.33Å; I289-A358 WeakPolarHBondContact O-CB 3.38Å
359A96.9Very high93.9Very high0 Ų040.6 Ų40.60%024%0.241CC..  trans-104.192.2167.100000109.3R258 Y263 L266 I289 M363R258-A359 WeakPolarHBondContact CD-O 3.32Å; R258-A359 VanDerWaalsContact CG-O 3.31Å; R258-A359 WeakPolarHBondContact CG-O 3.42Å; R258-A359 PolarHBondContact NH1-O 2.93Å; Y263-A359 HydrophobicContact CD2-CB 4.16Å; Y263-A359 HydrophobicContact CG-CB 4.48Å; L266-A359 HydrophobicContact CD2-CB 4.06Å; I289-A359 PolarHBondContact O-N 3.39Å; A359-M363 HydrophobicContact CB-SD 3.72Å
360A97.4Very high94.4Very high43 Ų4341.3 Ų41.336%0.35524%0.237SC..  trans-89.1164.3176.400000111.8M363A360-M363 VanDerWaalsContact O-CB 3.23Å; A360-M363 WeakPolarHBondContact O-CB 3.37Å; A360-M363 PolarHBondContact O-N 3.1Å
361I97.5Very high95.3Very high16 Ų1641 Ų418%0.08223%0.233CC..THydrogen-bonded Turntrans-59.1136.9178.1-163.9169.3000110.1Q175 K201 M204 Y251 L254 I255Q175-I361 HydrophobicContact CB-CB 4.04Å; Q175-I361 HydrophobicContact CB-CD1 4.37Å; Q175-I361 HydrophobicContact CB-CG2 4.41Å; K201-I361 WeakPolarHBondContact O-CG2 3.09Å; M204-I361 HydrophobicContact CG-CG2 4.33Å; Y251-I361 HydrophobicContact CE2-CD1 4.24Å; L254-I361 HydrophobicContact CB-CD1 3.88Å; L254-I361 HydrophobicContact CB-CG1 3.8Å; I255-I361 HydrophobicContact CG1-CD1 4.05Å
362G96.5Very high95.9Very high23 Ų2337.7 Ų37.724%0.23721%0.212CC..THydrogen-bonded Turntrans91.5-14-174.600000115
363M97.1Very high96.1Very high32 Ų3243.2 Ų43.216%0.15824%0.241CC..  trans-59.8139.3171.9-175.8-176.4-177.100111C262 L266 A359 A360 D367 V368C262-M363 HydrophobicContact CB-CB 4.49Å; C262-M363 HydrophobicContact CB-CG 4.34Å; C262-M363 HydrophobicContact CB-SD 4.13Å; C262-M363 PolarHBondContact SG-O 3.13Å; L266-M363 HydrophobicContact CD2-CE 4.46Å; A359-M363 HydrophobicContact CB-SD 3.72Å; A360-M363 VanDerWaalsContact O-CB 3.23Å; A360-M363 WeakPolarHBondContact O-CB 3.37Å; A360-M363 PolarHBondContact O-N 3.1Å; M363-D367 HydrophobicContact CE-CB 3.84Å; M363-D367 HydrophobicContact CG-CB 4.2Å; M363-D367 WeakPolarHBondContact CG-OD2 3.36Å; M363-V368 HydrophobicContact CE-CG2 3.51Å
364K95.6Very high96.2Very high95 Ų9544.7 Ų44.741%0.41325%0.25SS..  trans-101.2153.2173.7-61.1-58.4176.8-174.10110.9E257 D366 D367E257-K364 IonicContact OE1-NZ 2.7Å; E257-K364 IonicContact OE2-NZ 3.95Å; E257-K364 PolarHBondContact OE2-NZ 2.82Å; K364-D366 PolarHBondContact O-N 3.14Å; K364-D367 PolarHBondContact N-OD2 3.38Å; K364-D367 VanDerWaalsContact O-CB 3.28Å; K364-D367 WeakPolarHBondContact O-CB 3.13Å; K364-D367 PolarHBondContact O-N 3.26Å; K364-D367 VanDerWaalsContact O-N 3.14Å
365Q93.5Very high96.3Very high85 Ų8544.5 Ų44.540%0.39725%0.249SC..THydrogen-bonded Turntrans-62-32.7178.6-75.7-179.390.900112.3K261 D367 V368 P369K261-Q365 HydrophobicContact CB-CG 4.01Å; Q365-D367 PolarHBondContact O-N 3.44Å; Q365-V368 WeakPolarHBondContact O-CB 3.19Å; Q365-V368 PolarHBondContact O-N 2.84Å; Q365-V368 VanDerWaalsContact O-N 3.11Å; Q365-P369 VanDerWaalsContact O-CD 3.26Å; Q365-P369 WeakPolarHBondContact O-CD 3.27Å
366D95.1Very high96.2Very high129 Ų12946.2 Ų46.269%0.6926%0.261SS*.THydrogen-bonded Turntrans-66.2-18.9178.8-60.3-22.4000112.9K364 V368 P369K364-D366 PolarHBondContact O-N 3.14Å; D366-V368 PolarHBondContact O-N 3.36Å; D366-P369 WeakPolarHBondContact O-CD 3.34Å; D366-P369 WeakPolarHBondContact O-CG 3.26Å
367D95.4Very high96Very high68 Ų6849 Ų4936%0.36428%0.276SS..Hα-helixtrans-65.1-30.4174-61.9-37.8000111.3M363 K364 Q365 F371M363-D367 HydrophobicContact CE-CB 3.84Å; M363-D367 HydrophobicContact CG-CB 4.2Å; M363-D367 WeakPolarHBondContact CG-OD2 3.36Å; K364-D367 PolarHBondContact N-OD2 3.38Å; K364-D367 VanDerWaalsContact O-CB 3.28Å; K364-D367 WeakPolarHBondContact O-CB 3.13Å; K364-D367 PolarHBondContact O-N 3.26Å; K364-D367 VanDerWaalsContact O-N 3.14Å; Q365-D367 PolarHBondContact O-N 3.44Å; D367-F371 WeakPolarHBondContact O-CB 3Å; D367-F371 PolarHBondContact O-N 3.25Å
368V96.2Very high95.9Very high4 Ų448.5 Ų48.52%0.02427%0.273CS..Hα-helixtrans-64.9-57.5-176.6-178.70000112.7A265 L266 M363 Q365 D366 M370 F371 L372A265-V368 HydrophobicContact CB-CG2 4.25Å; L266-V368 HydrophobicContact CB-CG2 4.16Å; M363-V368 HydrophobicContact CE-CG2 3.51Å; Q365-V368 WeakPolarHBondContact O-CB 3.19Å; Q365-V368 PolarHBondContact O-N 2.84Å; Q365-V368 VanDerWaalsContact O-N 3.11Å; D366-V368 PolarHBondContact O-N 3.36Å; V368-M370 VanDerWaalsContact C-N 3.31Å; V368-M370 PolarHBondContact O-N 2.89Å; V368-F371 PolarHBondContact O-N 3.38Å; V368-L372 HydrophobicContact CG1-CD1 3.91Å; V368-L372 WeakPolarHBondContact O-CG 3.38Å; V368-L372 PolarHBondContact O-N 2.99Å
369P96.3Very high95.8Very high70 Ų7046.4 Ų46.446%0.45526%0.256SS..Hα-helixtrans-63.8-36.5179.124.9-34.4000112.3Q365 D366 L372 N373Q365-P369 VanDerWaalsContact O-CD 3.26Å; Q365-P369 WeakPolarHBondContact O-CD 3.27Å; D366-P369 WeakPolarHBondContact O-CD 3.34Å; D366-P369 WeakPolarHBondContact O-CG 3.26Å; P369-L372 PolarHBondContact O-N 2.78Å; P369-N373 VanDerWaalsContact O-CG 3.28Å; P369-N373 PolarHBondContact O-N 3Å; P369-N373 PolarHBondContact O-ND2 2.55Å
370M94.8Very high95.5Very high119 Ų11950.3 Ų50.359%0.58627%0.271SS*.Hα-helixtrans-60.2-48.5175.4-174.2-172.1-60.400111.1V368 V374V368-M370 VanDerWaalsContact C-N 3.31Å; V368-M370 PolarHBondContact O-N 2.89Å; M370-V374 WeakPolarHBondContact O-CG2 3.43Å; M370-V374 PolarHBondContact O-N 3.4Å
371F97Very high95.1Very high21 Ų2153 Ų539%0.09228%0.275CS..Hα-helixtrans-59.2-47.4177165.1-111.6000112.1L266 I270 I321 V357 D367 V368 N373 V374 L375L266-F371 HydrophobicContact CD1-CD1 4.06Å; L266-F371 HydrophobicContact CD1-CE1 4.2Å; I270-F371 HydrophobicContact CD1-CE1 4.11Å; I321-F371 HydrophobicContact CD1-CD2 4.31Å; I321-F371 HydrophobicContact CG1-CD2 4.48Å; I321-F371 HydrophobicContact CG2-CD2 3.75Å; I321-F371 HydrophobicContact CG2-CE2 3.96Å; V357-F371 HydrophobicContact CG1-CE1 3.96Å; V357-F371 HydrophobicContact CG1-CE2 4.18Å; V357-F371 HydrophobicContact CG1-CZ 3.45Å; V357-F371 VanDerWaalsContact CG1-CZ 3.45Å; D367-F371 WeakPolarHBondContact O-CB 3Å; D367-F371 PolarHBondContact O-N 3.25Å; V368-F371 PolarHBondContact O-N 3.38Å; F371-N373 PolarHBondContact O-N 3.03Å; F371-V374 PolarHBondContact O-N 3.02Å; F371-L375 HydrophobicContact CE1-CD2 3.98Å; F371-L375 HydrophobicContact CE2-CB 4.18Å; F371-L375 HydrophobicContact CE2-CD2 4.48Å; F371-L375 HydrophobicContact CZ-CB 4.17Å; F371-L375 HydrophobicContact CZ-CD2 3.69Å; F371-L375 HydrophobicContact CZ-CG 4.36Å; F371-L375 WeakPolarHBondContact O-CB 3.47Å; F371-L375 PolarHBondContact O-N 3.09Å
372L96.4Very high94.8Very high23 Ų2352.3 Ų52.312%0.1227%0.271CS..Hα-helixtrans-66.1-37.5-176.7-70.9169.7000112.9I270 W273 V368 P369 L375 S376I270-L372 HydrophobicContact CB-CD2 4.42Å; I270-L372 HydrophobicContact CG1-CD2 4.33Å; W273-L372 HydrophobicContact CB-CD2 4.25Å; W273-L372 HydrophobicContact CG-CD2 4.43Å; V368-L372 HydrophobicContact CG1-CD1 3.91Å; V368-L372 WeakPolarHBondContact O-CG 3.38Å; V368-L372 PolarHBondContact O-N 2.99Å; P369-L372 PolarHBondContact O-N 2.78Å; L372-L375 HydrophobicContact CD2-CD2 4.38Å; L372-L375 PolarHBondContact O-N 2.58Å; L372-S376 WeakPolarHBondContact O-CB 3.44Å; L372-S376 PolarHBondContact O-N 2.92Å
373N95.8Very high94.3Very high119 Ų11954 Ų5464%0.63627%0.27SS*.Hα-helixtrans-60.4-46.9174.5-73.9-19.5000111.1P369 F371 D377P369-N373 VanDerWaalsContact O-CG 3.28Å; P369-N373 PolarHBondContact O-N 3Å; P369-N373 PolarHBondContact O-ND2 2.55Å; F371-N373 PolarHBondContact O-N 3.03Å; N373-D377 PolarHBondContact O-N 3.09Å; N373-D377 VanDerWaalsContact O-N 3.13Å
374V96.6Very high93.3Very high31 Ų3155.1 Ų55.119%0.18829%0.285CS..Hα-helixtrans-67.1-41.5178.4173.20000111.8L316 R319 I321 M370 F371 A378L316-V374 HydrophobicContact CD2-CG1 4.24Å; R319-V374 HydrophobicContact CB-CG1 3.53Å; R319-V374 HydrophobicContact CG-CG1 4.26Å; I321-V374 HydrophobicContact CD1-CB 4.12Å; I321-V374 HydrophobicContact CD1-CG1 4.11Å; I321-V374 HydrophobicContact CD1-CG2 4.31Å; I321-V374 HydrophobicContact CG1-CB 4.03Å; I321-V374 HydrophobicContact CG1-CG1 3.49Å; I321-V374 VanDerWaalsContact CG1-CG1 3.49Å; M370-V374 WeakPolarHBondContact O-CG2 3.43Å; M370-V374 PolarHBondContact O-N 3.4Å; F371-V374 PolarHBondContact O-N 3.02Å; V374-A378 VanDerWaalsContact O-CB 3.26Å; V374-A378 WeakPolarHBondContact O-CB 3.42Å; V374-A378 PolarHBondContact O-N 2.96Å
375L97Very high92.5Very high0 Ų057.9 Ų57.90%030%0.297CS..Hα-helixtrans-60.8-47.2177.1174.463000111.4W273 L316 L355 F371 L372 A378 Y379W273-L375 HydrophobicContact CD2-CD2 3.91Å; W273-L375 HydrophobicContact CD2-CG 4.49Å; W273-L375 HydrophobicContact CE3-CD2 3.78Å; W273-L375 HydrophobicContact CH2-CD1 4.03Å; W273-L375 HydrophobicContact CH2-CD2 3.71Å; W273-L375 HydrophobicContact CH2-CG 3.81Å; W273-L375 HydrophobicContact CZ2-CD1 4.19Å; W273-L375 HydrophobicContact CZ2-CD2 3.83Å; W273-L375 HydrophobicContact CZ2-CG 3.63Å; W273-L375 HydrophobicContact CZ3-CD2 3.69Å; W273-L375 HydrophobicContact CZ3-CG 4.32Å; L316-L375 HydrophobicContact CD1-CD1 4.24Å; L316-L375 HydrophobicContact CD2-CB 4.33Å; L316-L375 HydrophobicContact CD2-CD1 4.09Å; L355-L375 HydrophobicContact CD2-CD1 3.54Å; L355-L375 HydrophobicContact CD2-CD2 3.98Å; L355-L375 HydrophobicContact CD2-CG 4.43Å; F371-L375 HydrophobicContact CE1-CD2 3.98Å; F371-L375 HydrophobicContact CE2-CB 4.18Å; F371-L375 HydrophobicContact CE2-CD2 4.48Å; F371-L375 HydrophobicContact CZ-CB 4.17Å; F371-L375 HydrophobicContact CZ-CD2 3.69Å; F371-L375 HydrophobicContact CZ-CG 4.36Å; F371-L375 WeakPolarHBondContact O-CB 3.47Å; F371-L375 PolarHBondContact O-N 3.09Å; L372-L375 HydrophobicContact CD2-CD2 4.38Å; L372-L375 PolarHBondContact O-N 2.58Å; L375-A378 PolarHBondContact O-N 3.43Å; L375-Y379 VanDerWaalsContact O-CB 3.26Å; L375-Y379 WeakPolarHBondContact O-CB 3.25Å; L375-Y379 PolarHBondContact O-N 3.48Å
376S94.5Very high91.8Very high37 Ų3756.3 Ų56.326%0.25929%0.287SS..Hα-helixtrans-60.8-50.4179.4-166.90000111.1L372 A378 Y379 W380L372-S376 WeakPolarHBondContact O-CB 3.44Å; L372-S376 PolarHBondContact O-N 2.92Å; S376-A378 VanDerWaalsContact C-N 3.35Å; S376-A378 PolarHBondContact O-N 3.41Å; S376-Y379 PolarHBondContact O-N 2.86Å; S376-W380 PolarHBondContact O-N 3.38Å
377D93.2Very high90.4Very high60 Ų6051.1 Ų51.132%0.32126%0.264SS..Hα-helixtrans-56.8-46.8175.917668.6000112.1R319 N373 Y379 W380 K381R319-D377 IonicContact CZ-OD2 3.13Å; R319-D377 IonicContact NE-OD2 3.19Å; R319-D377 PolarHBondContact NE-OD2 2.82Å; R319-D377 IonicContact NH2-OD2 2.88Å; N373-D377 PolarHBondContact O-N 3.09Å; N373-D377 VanDerWaalsContact O-N 3.13Å; D377-Y379 PolarHBondContact O-N 2.78Å; D377-W380 PolarHBondContact O-N 3.07Å; D377-K381 WeakPolarHBondContact O-CB 3.42Å; D377-K381 WeakPolarHBondContact O-CG 3.44Å; D377-K381 PolarHBondContact O-N 2.8Å; D377-K381 WeakPolarHBondContact OD1-CE 3.43Å; D377-K381 IonicContact OD1-NZ 2.82Å; D377-K381 PolarHBondContact OD1-NZ 2.74Å; D377-K381 WeakPolarHBondContact OD2-CD 3.19Å; D377-K381 WeakPolarHBondContact OD2-CE 3.41Å; D377-K381 IonicContact OD2-NZ 3.47Å; D377-K381 PolarHBondContact OD2-NZ 3.47Å
378A94.9Very high88.3Confident0 Ų056.6 Ų56.60%028%0.28CS..Hα-helixtrans-64.5-41.2-179.700000112.1L312 M315 L316 V374 L375 S376 F382L312-A378 HydrophobicContact CD1-CB 3.98Å; M315-A378 HydrophobicContact CB-CB 4.06Å; M315-A378 HydrophobicContact CE-CB 4.37Å; M315-A378 WeakPolarHBondContact CE-O 3.46Å; L316-A378 HydrophobicContact CD2-CB 4.1Å; V374-A378 VanDerWaalsContact O-CB 3.26Å; V374-A378 WeakPolarHBondContact O-CB 3.42Å; V374-A378 PolarHBondContact O-N 2.96Å; L375-A378 PolarHBondContact O-N 3.43Å; S376-A378 VanDerWaalsContact C-N 3.35Å; S376-A378 PolarHBondContact O-N 3.41Å; A378-F382 WeakPolarHBondContact O-CB 3.28Å; A378-F382 PolarHBondContact O-N 3.42Å
379Y93.7Very high85.8Confident0 Ų060.9 Ų60.90%031%0.308CS..Hα-helixtrans-62.8-47.3177.7-176.8-92.4000111.7W273 I277 L295 N297 L298 L375 S376 D377 F382 R383W273-Y379 AromaticContact CH2-CD2 3.97Å; W273-Y379 HydrophobicContact CH2-CD2 3.97Å; W273-Y379 HydrophobicContact CH2-CE2 4.47Å; W273-Y379 HydrophobicContact CH2-CG 4.28Å; W273-Y379 HydrophobicContact CZ2-CD1 4.43Å; W273-Y379 HydrophobicContact CZ2-CD2 4.08Å; W273-Y379 AromaticContact CZ2-CG 3.9Å; W273-Y379 HydrophobicContact CZ2-CG 3.9Å; I277-Y379 HydrophobicContact CB-CE1 4.15Å; I277-Y379 HydrophobicContact CD1-CD1 4.24Å; I277-Y379 HydrophobicContact CD1-CD2 4.22Å; I277-Y379 HydrophobicContact CD1-CE1 3.76Å; I277-Y379 HydrophobicContact CD1-CE2 3.76Å; I277-Y379 HydrophobicContact CD1-CG 4.45Å; I277-Y379 HydrophobicContact CG2-CE1 4.25Å; L295-Y379 HydrophobicContact CD2-CE2 4.41Å; N297-Y379 WeakPolarHBondContact CB-OH 3.48Å; L298-Y379 HydrophobicContact CD1-CD2 3.98Å; L298-Y379 HydrophobicContact CD1-CE2 3.85Å; L298-Y379 HydrophobicContact CD2-CD2 4.16Å; L298-Y379 HydrophobicContact CD2-CE2 3.56Å; L298-Y379 HydrophobicContact CG-CD2 4.27Å; L298-Y379 HydrophobicContact CG-CE2 3.64Å; L375-Y379 VanDerWaalsContact O-CB 3.26Å; L375-Y379 WeakPolarHBondContact O-CB 3.25Å; L375-Y379 PolarHBondContact O-N 3.48Å; S376-Y379 PolarHBondContact O-N 2.86Å; D377-Y379 PolarHBondContact O-N 2.78Å; Y379-F382 WeakPolarHBondContact O-CB 3.27Å; Y379-F382 PolarHBondContact O-N 3.23Å; Y379-R383 HydrophobicContact CD1-CG 4.39Å; Y379-R383 VanDerWaalsContact CE1-CD 3.44Å; Y379-R383 HydrophobicContact CE1-CG 4.07Å; Y379-R383 PolarHBondContact O-N 2.52Å
380W90.6Very high83.3Confident81 Ų8160.3 Ų60.331%0.30730%0.303SS..Hα-helixtrans-67.7-39.8179-70.3116.4000112.7I277 S376 D377 F382 R383 A384I277-W380 HydrophobicContact CG2-CZ2 3.97Å; S376-W380 PolarHBondContact O-N 3.38Å; D377-W380 PolarHBondContact O-N 3.07Å; W380-F382 VanDerWaalsContact C-N 3.3Å; W380-F382 PolarHBondContact O-N 3.14Å; W380-R383 VanDerWaalsContact CZ3-NH1 3.29Å; W380-R383 PolarHBondContact O-N 3.12Å; W380-A384 PolarHBondContact O-N 3.39Å
381K89.2Confident80.8Confident101 Ų10158.4 Ų58.444%0.43929%0.293SS..Hα-helixtrans-63-36.3172.4-76.6173.5178.1158.70112.4M315 D377 A384 K385M315-K381 HydrophobicContact CE-CB 3.45Å; M315-K381 VanDerWaalsContact CE-CB 3.45Å; D377-K381 WeakPolarHBondContact O-CB 3.42Å; D377-K381 WeakPolarHBondContact O-CG 3.44Å; D377-K381 PolarHBondContact O-N 2.8Å; D377-K381 WeakPolarHBondContact OD1-CE 3.43Å; D377-K381 IonicContact OD1-NZ 2.82Å; D377-K381 PolarHBondContact OD1-NZ 2.74Å; D377-K381 WeakPolarHBondContact OD2-CD 3.19Å; D377-K381 WeakPolarHBondContact OD2-CE 3.41Å; D377-K381 IonicContact OD2-NZ 3.47Å; D377-K381 PolarHBondContact OD2-NZ 3.47Å; K381-A384 PolarHBondContact O-N 2.67Å; K381-K385 WeakPolarHBondContact O-CB 3.45Å; K381-K385 PolarHBondContact O-N 3.47Å
382F90.8Very high78.5Confident0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-62.3-49.7173.2-177.4-73.2000110.2L298 C302 N308 A311 L312 M315 A378 Y379 W380 A384 K385 Y386L298-F382 HydrophobicContact CB-CE1 3.96Å; L298-F382 HydrophobicContact CB-CZ 4.45Å; L298-F382 HydrophobicContact CD1-CD1 3.88Å; L298-F382 HydrophobicContact CD1-CE1 3.99Å; L298-F382 HydrophobicContact CD1-CG 4.19Å; L298-F382 HydrophobicContact CD1-CZ 4.35Å; L298-F382 HydrophobicContact CD2-CD1 3.6Å; L298-F382 HydrophobicContact CD2-CE1 3.88Å; L298-F382 HydrophobicContact CG-CD1 4.2Å; L298-F382 HydrophobicContact CG-CE1 4.16Å; C302-F382 VanDerWaalsContact SG-CZ 3.6Å; N308-F382 VanDerWaalsContact O-CE2 3.26Å; N308-F382 WeakPolarHBondContact O-CE2 3.11Å; A311-F382 HydrophobicContact CB-CD2 4.25Å; A311-F382 HydrophobicContact CB-CE2 3.91Å; L312-F382 HydrophobicContact CB-CD2 4.06Å; L312-F382 HydrophobicContact CB-CE2 4.4Å; M315-F382 HydrophobicContact CE-CB 4.48Å; M315-F382 HydrophobicContact SD-CB 4.08Å; M315-F382 HydrophobicContact SD-CD2 4.29Å; A378-F382 WeakPolarHBondContact O-CB 3.28Å; A378-F382 PolarHBondContact O-N 3.42Å; Y379-F382 WeakPolarHBondContact O-CB 3.27Å; Y379-F382 PolarHBondContact O-N 3.23Å; W380-F382 VanDerWaalsContact C-N 3.3Å; W380-F382 PolarHBondContact O-N 3.14Å; F382-A384 VanDerWaalsContact C-N 3.31Å; F382-A384 PolarHBondContact O-N 3.13Å; F382-K385 PolarHBondContact O-N 3.11Å; F382-K385 VanDerWaalsContact O-N 3.12Å; F382-Y386 AromaticContact CD1-CD2 3.74Å; F382-Y386 HydrophobicContact CD1-CD2 3.74Å; F382-Y386 HydrophobicContact CD1-CG 4.43Å; F382-Y386 AromaticContact CD2-CD2 3.8Å; F382-Y386 HydrophobicContact CD2-CD2 3.8Å; F382-Y386 AromaticContact CD2-CE2 3.8Å; F382-Y386 HydrophobicContact CD2-CE2 3.8Å; F382-Y386 AromaticContact CE1-CD2 3.56Å; F382-Y386 HydrophobicContact CE1-CD2 3.56Å; F382-Y386 HydrophobicContact CE1-CE2 4.34Å; F382-Y386 AromaticContact CE1-CG 3.97Å; F382-Y386 HydrophobicContact CE1-CG 3.97Å; F382-Y386 AromaticContact CE2-CD2 3.65Å; F382-Y386 HydrophobicContact CE2-CD2 3.65Å; F382-Y386 AromaticContact CE2-CE2 3.58Å; F382-Y386 HydrophobicContact CE2-CE2 3.58Å; F382-Y386 AromaticContact CG-CD2 3.84Å; F382-Y386 HydrophobicContact CG-CD2 3.84Å; F382-Y386 HydrophobicContact CG-CE2 4.29Å; F382-Y386 AromaticContact CZ-CD2 3.51Å; F382-Y386 HydrophobicContact CZ-CD2 3.51Å; F382-Y386 AromaticContact CZ-CE2 3.85Å; F382-Y386 HydrophobicContact CZ-CE2 3.85Å; F382-Y386 HydrophobicContact CZ-CG 4.05Å; F382-Y386 WeakPolarHBondContact O-CD2 3.47Å; F382-Y386 PolarHBondContact O-N 3.38Å
383R86.2Confident76.3Confident58 Ų5861.4 Ų61.422%0.21931%0.309CS..Hα-helixtrans-60.2-39.5178.3-71.5-165.568.2-167.70.6112.2L298 L301 Y379 W380 K385 G387 T452L298-R383 HydrophobicContact CD2-CG 3.72Å; L301-R383 HydrophobicContact CD1-CB 4.25Å; L301-R383 HydrophobicContact CD1-CG 3.95Å; Y379-R383 HydrophobicContact CD1-CG 4.39Å; Y379-R383 VanDerWaalsContact CE1-CD 3.44Å; Y379-R383 HydrophobicContact CE1-CG 4.07Å; Y379-R383 PolarHBondContact O-N 2.52Å; W380-R383 VanDerWaalsContact CZ3-NH1 3.29Å; W380-R383 PolarHBondContact O-N 3.12Å; R383-K385 VanDerWaalsContact C-N 3.32Å; R383-K385 PolarHBondContact O-N 3.25Å; R383-G387 WeakPolarHBondContact O-CA 3.23Å; R383-G387 PolarHBondContact O-N 3.05Å; R383-T452 PolarHBondContact NH2-OG1 3.33Å
384A77Confident74.2Confident57 Ų5758.8 Ų58.847%0.47129%0.293SS..Hα-helixtrans-65.2-35175.500000112.7W380 K381 F382W380-A384 PolarHBondContact O-N 3.39Å; K381-A384 PolarHBondContact O-N 2.67Å; F382-A384 VanDerWaalsContact C-N 3.31Å; F382-A384 PolarHBondContact O-N 3.13Å
385K79.4Confident72Confident153 Ų15357.9 Ų57.967%0.66529%0.288SS*.Hα-helixtrans-77.5-41.8-179.7-177.9178.2177.9-177.40113.6K381 F382 R383K381-K385 WeakPolarHBondContact O-CB 3.45Å; K381-K385 PolarHBondContact O-N 3.47Å; F382-K385 PolarHBondContact O-N 3.11Å; F382-K385 VanDerWaalsContact O-N 3.12Å; R383-K385 VanDerWaalsContact C-N 3.32Å; R383-K385 PolarHBondContact O-N 3.25Å
386Y78.7Confident70Confident51 Ų5161.5 Ų61.520%0.231%0.307CS..Hα-helixtrans-103-19.6-174.1-68.4-79.8000113.5N308 A311 F382 R388N308-Y386 HydrophobicContact CB-CD1 4.32Å; N308-Y386 HydrophobicContact CB-CE1 3.82Å; A311-Y386 HydrophobicContact CB-CE2 4.05Å; F382-Y386 AromaticContact CD1-CD2 3.74Å; F382-Y386 HydrophobicContact CD1-CD2 3.74Å; F382-Y386 HydrophobicContact CD1-CG 4.43Å; F382-Y386 AromaticContact CD2-CD2 3.8Å; F382-Y386 HydrophobicContact CD2-CD2 3.8Å; F382-Y386 AromaticContact CD2-CE2 3.8Å; F382-Y386 HydrophobicContact CD2-CE2 3.8Å; F382-Y386 AromaticContact CE1-CD2 3.56Å; F382-Y386 HydrophobicContact CE1-CD2 3.56Å; F382-Y386 HydrophobicContact CE1-CE2 4.34Å; F382-Y386 AromaticContact CE1-CG 3.97Å; F382-Y386 HydrophobicContact CE1-CG 3.97Å; F382-Y386 AromaticContact CE2-CD2 3.65Å; F382-Y386 HydrophobicContact CE2-CD2 3.65Å; F382-Y386 AromaticContact CE2-CE2 3.58Å; F382-Y386 HydrophobicContact CE2-CE2 3.58Å; F382-Y386 AromaticContact CG-CD2 3.84Å; F382-Y386 HydrophobicContact CG-CD2 3.84Å; F382-Y386 HydrophobicContact CG-CE2 4.29Å; F382-Y386 AromaticContact CZ-CD2 3.51Å; F382-Y386 HydrophobicContact CZ-CD2 3.51Å; F382-Y386 AromaticContact CZ-CE2 3.85Å; F382-Y386 HydrophobicContact CZ-CE2 3.85Å; F382-Y386 HydrophobicContact CZ-CG 4.05Å; F382-Y386 WeakPolarHBondContact O-CD2 3.47Å; F382-Y386 PolarHBondContact O-N 3.38Å; Y386-R388 PolarHBondContact O-N 2.72Å; Y386-R388 VanDerWaalsContact O-N 3.15Å
387G64Low68.1Low20 Ų2068.1 Ų68.121%0.20633%0.334CS..SBendtrans-64.7111.9165.700000107.8R383R383-G387 WeakPolarHBondContact O-CA 3.23Å; R383-G387 PolarHBondContact O-N 3.05Å
388R53.1Low66.2Low183 Ų18371.4 Ų71.469%0.69135%0.347SS*.  trans-48.2127.6174.4-66.9-175.6-177.5-173.40.9107.3D304 Y386 V390D304-R388 IonicContact OD2-NH2 2.68Å; D304-R388 PolarHBondContact OD2-NH2 3.16Å; D304-R388 VanDerWaalsContact OD2-NH2 3.13Å; Y386-R388 PolarHBondContact O-N 2.72Å; Y386-R388 VanDerWaalsContact O-N 3.15Å; R388-V390 PolarHBondContact O-N 3.18Å
389P42.1Very low64.5Low94 Ų9475.6 Ų75.661%0.6138%0.376SS*.  trans-55142.1172.724.1-30.5000107.1Q391P389-Q391 PolarHBondContact O-N 3.09Å
390V44.4Very low62.6Low58 Ų5877.8 Ų77.835%0.35239%0.387SS..  trans-42.5119165.4174.30000107.3R388 L410R388-V390 PolarHBondContact O-N 3.18Å; V390-L410 HydrophobicContact CB-CD1 4.41Å; V390-L410 HydrophobicContact CG1-CD1 4.44Å; V390-L410 HydrophobicContact CG2-CD1 3.87Å; V390-L410 HydrophobicContact CG2-CD2 3.93Å
391Q43.5Very low60.8Low80 Ų8081.5 Ų81.537%0.37441%0.41SS..  trans-82.7121.4179.9-79-178.2-13.400108.1P389P389-Q391 PolarHBondContact O-N 3.09Å
392D48.6Very low59.2Low87 Ų8778.1 Ų78.147%0.46540%0.398SS..  trans76.399.8162.8-44.4-35000117.1T433D392-T433 VanDerWaalsContact O-O 3.11Å
393F48.6Very low57.3Low19 Ų1983.1 Ų83.18%0.08342%0.422CS..EExtended strand (participates in β ladder)trans-110.4126.9162.3-177.9-82.6000107.8V395 S399 M400 I412 I430 L432F393-V395 HydrophobicContact CD1-CG2 3.96Å; F393-V395 HydrophobicContact CE1-CG2 3.29Å; F393-V395 HydrophobicContact CZ-CG2 4.18Å; F393-S399 CarbonylContact O-C 3.56Å; F393-S399 VanDerWaalsContact O-CA 3.24Å; F393-S399 WeakPolarHBondContact O-CA 3.14Å; F393-M400 HydrophobicContact CD1-CB 3.61Å; F393-M400 HydrophobicContact CD1-CG 3.68Å; F393-M400 HydrophobicContact CD1-SD 4.4Å; F393-M400 HydrophobicContact CE1-CB 4.19Å; F393-M400 HydrophobicContact CE1-CG 4Å; F393-M400 HydrophobicContact CE1-SD 4.12Å; F393-M400 HydrophobicContact CG-CB 4.47Å; F393-M400 PolarHBondContact O-N 3.1Å; F393-I412 HydrophobicContact CD1-CG2 4.23Å; F393-I412 HydrophobicContact CD2-CD1 3.41Å; F393-I412 VanDerWaalsContact CD2-CD1 3.41Å; F393-I412 HydrophobicContact CE1-CD1 4.44Å; F393-I412 HydrophobicContact CE1-CG2 3.87Å; F393-I412 HydrophobicContact CE2-CD1 3.09Å; F393-I412 HydrophobicContact CE2-CG1 4.44Å; F393-I412 HydrophobicContact CE2-CG2 4.34Å; F393-I412 HydrophobicContact CG-CD1 4.19Å; F393-I412 HydrophobicContact CZ-CD1 3.72Å; F393-I412 HydrophobicContact CZ-CG2 3.97Å; F393-I430 HydrophobicContact CZ-CG2 4.07Å; F393-L432 HydrophobicContact CD2-CD2 3.56Å; F393-L432 HydrophobicContact CE2-CD2 2.9Å; F393-L432 HydrophobicContact CE2-CG 4.38Å; F393-L432 HydrophobicContact CZ-CD2 3.51Å
394E52.3Low55.6Low65 Ų6583.7 Ų83.730%0.30443%0.433SS..EExtended strand (participates in β ladder)trans-121.5128.1-179.6-72.1-17817500111.9E398 R431E394-E398 VanDerWaalsContact CA-O 3.31Å; E394-E398 WeakPolarHBondContact CA-O 3.27Å; E394-R431 PolarHBondContact N-O 2.86Å; E394-R431 PolarHBondContact O-N 3.11Å; E394-R431 VanDerWaalsContact O-N 3.16Å
395V50.8Low54.3Low12 Ų1284 Ų847%0.07343%0.427CS..EExtended strand (participates in β ladder)trans-113.6116.3169-178.90000107.6F393 E397 E398 M400 F419 I430F393-V395 HydrophobicContact CD1-CG2 3.96Å; F393-V395 HydrophobicContact CE1-CG2 3.29Å; F393-V395 HydrophobicContact CZ-CG2 4.18Å; V395-E397 PolarHBondContact O-N 2.78Å; V395-E398 PolarHBondContact N-O 3.26Å; V395-E398 WeakPolarHBondContact O-CB 3.46Å; V395-E398 PolarHBondContact O-N 3.27Å; V395-M400 HydrophobicContact CB-CG 4.44Å; V395-M400 HydrophobicContact CB-SD 4.15Å; V395-M400 HydrophobicContact CG2-CG 4.01Å; V395-M400 HydrophobicContact CG2-SD 3.63Å; V395-F419 HydrophobicContact CG1-CZ 3.85Å; V395-I430 HydrophobicContact CG1-CG1 4.38Å; V395-I430 HydrophobicContact CG2-CG2 4.25Å
396N53.9Low52.5Low75 Ų7581.2 Ų81.240%0.40142%0.424SS..THydrogen-bonded Turntrans48.746.2-175.6-64.7-28.5000112.8E398 N428 A429N396-E398 PolarHBondContact O-N 2.97Å; N396-N428 PolarHBondContact ND2-OD1 3.32Å; N396-A429 PolarHBondContact OD1-O 3.49Å
397E56Low51Low177 Ų17782 Ų8283%0.82743%0.432SS*.THydrogen-bonded Turntrans69.38.3-179.8-49.1175.2173.800115V395V395-E397 PolarHBondContact O-N 2.78Å
398E52.3Low50.1Low129 Ų12982.5 Ų82.560%0.60344%0.437SS*.EExtended strand (participates in β ladder)trans-98.9121.6170.3-66.9-171.8164.900111.2E394 V395 N396E394-E398 VanDerWaalsContact CA-O 3.31Å; E394-E398 WeakPolarHBondContact CA-O 3.27Å; V395-E398 PolarHBondContact N-O 3.26Å; V395-E398 WeakPolarHBondContact O-CB 3.46Å; V395-E398 PolarHBondContact O-N 3.27Å; N396-E398 PolarHBondContact O-N 2.97Å
399S58.7Low49.8Very low87 Ų8775.7 Ų75.761%0.60842%0.417SS*.EExtended strand (participates in β ladder)trans-68130.3175.3-46.80000111.3F393F393-S399 CarbonylContact O-C 3.56Å; F393-S399 VanDerWaalsContact O-CA 3.24Å; F393-S399 WeakPolarHBondContact O-CA 3.14Å
400M54.7Low50.2Low46 Ų4673.3 Ų73.323%0.22740%0.399CS..EExtended strand (participates in β ladder)trans-108.1148.4-179.7-52.8-13979.600112.6F393 V395 I412 H413 W414F393-M400 HydrophobicContact CD1-CB 3.61Å; F393-M400 HydrophobicContact CD1-CG 3.68Å; F393-M400 HydrophobicContact CD1-SD 4.4Å; F393-M400 HydrophobicContact CE1-CB 4.19Å; F393-M400 HydrophobicContact CE1-CG 4Å; F393-M400 HydrophobicContact CE1-SD 4.12Å; F393-M400 HydrophobicContact CG-CB 4.47Å; F393-M400 PolarHBondContact O-N 3.1Å; V395-M400 HydrophobicContact CB-CG 4.44Å; V395-M400 HydrophobicContact CB-SD 4.15Å; V395-M400 HydrophobicContact CG2-CG 4.01Å; V395-M400 HydrophobicContact CG2-SD 3.63Å; M400-I412 HydrophobicContact CB-CG2 4.33Å; M400-H413 WeakPolarHBondContact CE-O 3.41Å; M400-W414 HydrophobicContact CE-CB 3.6Å; M400-W414 HydrophobicContact SD-CB 3.38Å; M400-W414 WeakPolarHBondContact SD-CB 3.24Å
401M53Low50.6Low160 Ų16074 Ų7479%0.78840%0.4SS*.  trans-79.9131.7172.9-61.6-145.6-55.700110.7
402C55.1Low51.1Low29 Ų2971.8 Ų71.820%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-114.6137.8176.5-58.10000110L411 I412C402-L411 CarbonylContact C-O 3.6Å; C402-L411 WeakPolarHBondContact CA-O 3.38Å; C402-I412 HydrophobicContact CB-CG1 4.32Å
403E51.5Low51.2Low106 Ų10673.1 Ų73.150%0.49539%0.394SS..EExtended strand (participates in β ladder)trans-111.5120.3175.2-65-173.3177.700109.9L411E403-L411 HydrophobicContact CB-CB 4.38Å; E403-L411 PolarHBondContact N-O 2.84Å; E403-L411 PolarHBondContact O-N 3.39Å
404P49.7Very low51.5Low70 Ų7076.8 Ų76.846%0.45541%0.407SS..EExtended strand (participates in β ladder)trans-74.2131.9176.128.7-31.9000111.4L410P404-L410 HydrophobicContact CB-CD2 4.24Å
405N49.8Very low51.2Low63 Ų6376.9 Ų76.934%0.33742%0.416SS..  trans-82.4156.3170.9-76.2-38.4000111.6D407 G408 S409N405-D407 WeakPolarHBondContact CB-OD1 3.46Å; N405-D407 PolarHBondContact O-N 2.79Å; N405-D407 VanDerWaalsContact O-N 3.09Å; N405-G408 PolarHBondContact O-N 3.15Å; N405-S409 WeakPolarHBondContact CB-O 2.79Å; N405-S409 VanDerWaalsContact CB-OG 3.28Å; N405-S409 WeakPolarHBondContact CB-OG 3.49Å; N405-S409 PolarHBondContact N-O 3.13Å; N405-S409 PolarHBondContact ND2-OG 3.16Å
406P42.5Very low51.2Low94 Ų9480.6 Ų80.661%0.6144%0.438SS*.THydrogen-bonded Turntrans-57.6-23177-25.834.6000115G408P406-G408 VanDerWaalsContact C-N 3.32Å
407D47.2Very low50.8Low68 Ų6882 Ų8236%0.36445%0.454SS..THydrogen-bonded Turntrans-89.85.8179.180.5-23.7000114N405 S409 R449N405-D407 WeakPolarHBondContact CB-OD1 3.46Å; N405-D407 PolarHBondContact O-N 2.79Å; N405-D407 VanDerWaalsContact O-N 3.09Å; D407-S409 VanDerWaalsContact C-N 3.34Å; D407-S409 VanDerWaalsContact OD1-CB 3.27Å; D407-S409 WeakPolarHBondContact OD1-CB 3.38Å; D407-S409 PolarHBondContact OD1-N 3.39Å; D407-S409 PolarHBondContact OD1-OG 2.92Å; D407-R449 IonicContact OD2-CZ 3.64Å; D407-R449 IonicContact OD2-NE 3.71Å; D407-R449 IonicContact OD2-NH2 3.89Å; D407-R449 PolarHBondContact OD2-NH2 2.81Å
408G44.2Very low50.2Low30 Ų3076.3 Ų76.331%0.30944%0.443SS..SBendtrans85.8-3.6-178.400000114.7N405 P406N405-G408 PolarHBondContact O-N 3.15Å; P406-G408 VanDerWaalsContact C-N 3.32Å
409S46.7Very low50.1Low40 Ų4072.5 Ų72.528%0.2842%0.424SS..  trans-71.4159.2170.664.20000111.6N405 D407N405-S409 WeakPolarHBondContact CB-O 2.79Å; N405-S409 VanDerWaalsContact CB-OG 3.28Å; N405-S409 WeakPolarHBondContact CB-OG 3.49Å; N405-S409 PolarHBondContact N-O 3.13Å; N405-S409 PolarHBondContact ND2-OG 3.16Å; D407-S409 VanDerWaalsContact C-N 3.34Å; D407-S409 VanDerWaalsContact OD1-CB 3.27Å; D407-S409 WeakPolarHBondContact OD1-CB 3.38Å; D407-S409 PolarHBondContact OD1-N 3.39Å; D407-S409 PolarHBondContact OD1-OG 2.92Å
410L51.6Low49.4Very low45 Ų4570.7 Ų70.724%0.23642%0.42CS..EExtended strand (participates in β ladder)trans-109.4125.2175.7-64.6162.4000108.4V390 P404 F434V390-L410 HydrophobicContact CB-CD1 4.41Å; V390-L410 HydrophobicContact CG1-CD1 4.44Å; V390-L410 HydrophobicContact CG2-CD1 3.87Å; V390-L410 HydrophobicContact CG2-CD2 3.93Å; P404-L410 HydrophobicContact CB-CD2 4.24Å; L410-F434 HydrophobicContact CD1-CE1 4.44Å
411L52.1Low48.8Very low71 Ų7178.9 Ų78.937%0.37245%0.454SS..EExtended strand (participates in β ladder)trans-89.2131.8166.2-176.767.7000108.5C402 E403 H413C402-L411 CarbonylContact C-O 3.6Å; C402-L411 WeakPolarHBondContact CA-O 3.38Å; E403-L411 HydrophobicContact CB-CB 4.38Å; E403-L411 PolarHBondContact N-O 2.84Å; E403-L411 PolarHBondContact O-N 3.39Å; L411-H413 WeakPolarHBondContact CD2-NE2 3.37Å
412I53.9Low48.2Very low34 Ų3475 Ų7517%0.17444%0.44CS..EExtended strand (participates in β ladder)trans-126.9121.6-177.8-51.3-176.3000107.5F393 M400 C402 W414F393-I412 HydrophobicContact CD1-CG2 4.23Å; F393-I412 HydrophobicContact CD2-CD1 3.41Å; F393-I412 VanDerWaalsContact CD2-CD1 3.41Å; F393-I412 HydrophobicContact CE1-CD1 4.44Å; F393-I412 HydrophobicContact CE1-CG2 3.87Å; F393-I412 HydrophobicContact CE2-CD1 3.09Å; F393-I412 HydrophobicContact CE2-CG1 4.44Å; F393-I412 HydrophobicContact CE2-CG2 4.34Å; F393-I412 HydrophobicContact CG-CD1 4.19Å; F393-I412 HydrophobicContact CZ-CD1 3.72Å; F393-I412 HydrophobicContact CZ-CG2 3.97Å; M400-I412 HydrophobicContact CB-CG2 4.33Å; C402-I412 HydrophobicContact CB-CG1 4.32Å; I412-W414 HydrophobicContact CG2-CE3 4.45Å
413H51.1Low47.7Very low115 Ų11584.6 Ų84.653%0.53248%0.478SS..  trans-93.3113.2175.4-70.1-74.3000109M400 L411M400-H413 WeakPolarHBondContact CE-O 3.41Å; L411-H413 WeakPolarHBondContact CD2-NE2 3.37Å
414W54.9Low47.3Very low96 Ų9682.7 Ų82.736%0.36448%0.476SS..  trans-119.6149.7165.575.284.2000110.8M400 I412 F482M400-W414 HydrophobicContact CE-CB 3.6Å; M400-W414 HydrophobicContact SD-CB 3.38Å; M400-W414 WeakPolarHBondContact SD-CB 3.24Å; I412-W414 HydrophobicContact CG2-CE3 4.45Å; W414-F482 AromaticContact CH2-CD1 3.67Å; W414-F482 HydrophobicContact CH2-CD1 3.67Å; W414-F482 AromaticContact CH2-CE1 3.53Å; W414-F482 HydrophobicContact CH2-CE1 3.53Å; W414-F482 AromaticContact CZ2-CD1 3.94Å; W414-F482 HydrophobicContact CZ2-CD1 3.94Å; W414-F482 HydrophobicContact CZ2-CE1 4.21Å; W414-F482 HydrophobicContact CZ3-CE1 4.36Å
415S46.4Very low47.2Very low68 Ų6889.6 Ų89.648%0.47649%0.493SS..  trans-111.5139.9173.4177.80000109.2S417S415-S417 WeakPolarHBondContact CB-OG 2.88Å; S415-S417 PolarHBondContact O-N 2.68Å; S415-S417 VanDerWaalsContact OG-CB 3.24Å; S415-S417 WeakPolarHBondContact OG-CB 3.04Å; S415-S417 PolarHBondContact OG-N 3.02Å; S415-S417 PolarHBondContact OG-OG 3.02Å
416T50.2Low47.1Very low90 Ų9092.5 Ų92.555%0.55250%0.503SS*.G310 helixtrans-71.9-5.5169.254.10000112.6G418 F419T416-G418 PolarHBondContact O-N 3.32Å; T416-F419 VanDerWaalsContact CA-CD2 3.48Å; T416-F419 WeakPolarHBondContact O-CB 3.46Å; T416-F419 PolarHBondContact O-N 2.72Å
417S44.2Very low47.5Very low105 Ų10596.4 Ų96.473%0.73451%0.505SS*.G310 helixtrans-63.7-24.4-176.860.50000114.5S415S415-S417 WeakPolarHBondContact CB-OG 2.88Å; S415-S417 PolarHBondContact O-N 2.68Å; S415-S417 VanDerWaalsContact OG-CB 3.24Å; S415-S417 WeakPolarHBondContact OG-CB 3.04Å; S415-S417 PolarHBondContact OG-N 3.02Å; S415-S417 PolarHBondContact OG-OG 3.02Å
418G45.4Very low47.7Very low57 Ų5794.4 Ų94.459%0.58850%0.495SS*.G310 helixtrans-81.2-14.5172.600000113.9T416 G420T416-G418 PolarHBondContact O-N 3.32Å; G418-G420 VanDerWaalsContact C-N 3.32Å; G418-G420 PolarHBondContact O-N 2.97Å
419F49.8Very low48.1Very low48 Ų4895.6 Ų95.621%0.21150%0.502CS..SBendtrans-8186.7175.5-61.6-101.1000107.2V395 T416 K421 N428 F468V395-F419 HydrophobicContact CG1-CZ 3.85Å; T416-F419 VanDerWaalsContact CA-CD2 3.48Å; T416-F419 WeakPolarHBondContact O-CB 3.46Å; T416-F419 PolarHBondContact O-N 2.72Å; F419-K421 PolarHBondContact O-N 3.41Å; F419-N428 VanDerWaalsContact CD1-ND2 3.32Å; F419-N428 WeakPolarHBondContact CD1-ND2 3.23Å; F419-N428 HydrophobicContact CE1-CB 4.11Å; F419-N428 WeakPolarHBondContact CE1-ND2 3.37Å; F419-F468 HydrophobicContact CE1-CD2 4.28Å; F419-F468 HydrophobicContact CE1-CE2 4.11Å; F419-F468 HydrophobicContact CZ-CE2 4.43Å
420G43.2Very low48.5Very low50 Ų5094.5 Ų94.552%0.51549%0.493SS..  trans-44.1132.6-178.700000111.1G418 T422G418-G420 VanDerWaalsContact C-N 3.32Å; G418-G420 PolarHBondContact O-N 2.97Å; G420-T422 WeakPolarHBondContact O-CB 3.42Å; G420-T422 PolarHBondContact O-N 2.86Å; G420-T422 PolarHBondContact O-OG1 2.78Å
421K42.3Very low48.6Very low218 Ų21898.4 Ų98.495%0.94850%0.504SS*.  trans-44.683.3178.6-67.4-179.1-178.9179.20110.8F419F419-K421 PolarHBondContact O-N 3.41Å
422T41Very low48.7Very low79 Ų7995.2 Ų95.249%0.48549%0.487SS..  trans-116.8112.8179.2440000105.1G420 S424G420-T422 WeakPolarHBondContact O-CB 3.42Å; G420-T422 PolarHBondContact O-N 2.86Å; G420-T422 PolarHBondContact O-OG1 2.78Å; T422-S424 PolarHBondContact O-N 2.84Å
423K43.8Very low48.4Very low230 Ų23094.8 Ų94.8100%149%0.486SS*.  trans-62.837.5167.5-71.6-176.5169.1-176.30111.7
424S43.5Very low48.4Very low66 Ų6690.8 Ų90.846%0.46247%0.468SS..SBendtrans-136.2131.2-158.2-1790000109.3T422 K426T422-S424 PolarHBondContact O-N 2.84Å; S424-K426 PolarHBondContact O-N 2.96Å
425R48.1Very low47.7Very low214 Ų21492.5 Ų92.581%0.80847%0.474SS*.  trans-6046.8172.4-61.1170.3171.5177.4-3.5112.5R427R425-R427 PolarHBondContact O-N 3.48Å
426K47.8Very low47.5Very low124 Ų12491 Ų9154%0.53946%0.462SS..PPolyproline II helixtrans-73.6116.1177.9-77.6-169.7174.2-173.20108.2S424 N428S424-K426 PolarHBondContact O-N 2.96Å; K426-N428 PolarHBondContact O-N 3.26Å
427R51.2Low46.9Very low177 Ų17790.6 Ų90.667%0.66845%0.45SS*.EExtended strand (participates in β ladder)trans-65.1118165-70.9178.6174.6165.7-2.9106.4R425R425-R427 PolarHBondContact O-N 3.48Å
428N50.8Low46.5Very low26 Ų2687.4 Ų87.414%0.13942%0.424CS..EExtended strand (participates in β ladder)trans-95.1137.2170.3-64.2-49.5000107.9N396 F419 K426 C466 F468N396-N428 PolarHBondContact ND2-OD1 3.32Å; F419-N428 VanDerWaalsContact CD1-ND2 3.32Å; F419-N428 WeakPolarHBondContact CD1-ND2 3.23Å; F419-N428 HydrophobicContact CE1-CB 4.11Å; F419-N428 WeakPolarHBondContact CE1-ND2 3.37Å; K426-N428 PolarHBondContact O-N 3.26Å; N428-C466 PolarHBondContact N-O 3.03Å; N428-C466 PolarHBondContact O-N 3.26Å; N428-F468 HydrophobicContact CB-CD2 4.29Å; N428-F468 HydrophobicContact CB-CE2 4.04Å; N428-F468 WeakPolarHBondContact ND2-CD2 3.45Å
429A52.4Low46.1Very low55 Ų5586.7 Ų86.746%0.45541%0.41SS..EExtended strand (participates in β ladder)trans-97.2117.2174.700000107.8N396N396-A429 PolarHBondContact OD1-O 3.49Å
430I55.4Low45.1Very low17 Ų1793.8 Ų93.89%0.08744%0.444CS..EExtended strand (participates in β ladder)trans-92.7118168.1-59.6170.6000105.9F393 V395 L432 N463 L464 C466 F468F393-I430 HydrophobicContact CZ-CG2 4.07Å; V395-I430 HydrophobicContact CG1-CG1 4.38Å; V395-I430 HydrophobicContact CG2-CG2 4.25Å; I430-L432 HydrophobicContact CG2-CD2 3.63Å; I430-L432 HydrophobicContact CG2-CG 4.15Å; I430-N463 WeakPolarHBondContact O-CA 3.45Å; I430-L464 HydrophobicContact CB-CB 4.2Å; I430-L464 PolarHBondContact N-O 2.96Å; I430-L464 PolarHBondContact O-N 2.87Å; I430-C466 HydrophobicContact CD1-CB 4.43Å; I430-F468 HydrophobicContact CD1-CZ 4.29Å
431R52.8Low44.5Very low126 Ų12695 Ų9548%0.47544%0.444SS..EExtended strand (participates in β ladder)trans-99.4116.2174.1-178.8178.5-72.4165.7-2108.6E394E394-R431 PolarHBondContact N-O 2.86Å; E394-R431 PolarHBondContact O-N 3.11Å; E394-R431 VanDerWaalsContact O-N 3.16Å
432L55.2Low43.9Very low4 Ų491.5 Ų91.52%0.02144%0.441CS..EExtended strand (participates in β ladder)trans-99110.7175.3-51.9178.1000108.1F393 I430 F434 L460 N461 H462 L464 M485 L487F393-L432 HydrophobicContact CD2-CD2 3.56Å; F393-L432 HydrophobicContact CE2-CD2 2.9Å; F393-L432 HydrophobicContact CE2-CG 4.38Å; F393-L432 HydrophobicContact CZ-CD2 3.51Å; I430-L432 HydrophobicContact CG2-CD2 3.63Å; I430-L432 HydrophobicContact CG2-CG 4.15Å; L432-F434 HydrophobicContact CB-CD2 4.21Å; L432-F434 HydrophobicContact CB-CE2 3.39Å; L432-F434 HydrophobicContact CB-CZ 3.74Å; L432-F434 HydrophobicContact CD1-CE2 4.17Å; L432-F434 HydrophobicContact CD1-CZ 4.09Å; L432-F434 HydrophobicContact CG-CE2 4.4Å; L432-F434 HydrophobicContact CG-CZ 4.43Å; L432-L460 VanDerWaalsContact O-O 3.14Å; L432-N461 WeakPolarHBondContact O-CA 3.36Å; L432-H462 HydrophobicContact CB-CB 4.3Å; L432-H462 HydrophobicContact CD1-CB 4.42Å; L432-H462 PolarHBondContact N-O 3.06Å; L432-H462 PolarHBondContact O-N 3.19Å; L432-L464 HydrophobicContact CD1-CD1 3.95Å; L432-L464 HydrophobicContact CD1-CG 4.35Å; L432-M485 HydrophobicContact CD1-CE 3.2Å; L432-M485 HydrophobicContact CD1-SD 4.22Å; L432-L487 HydrophobicContact CD1-CD1 4.1Å
433T46.5Very low43.4Very low25 Ų2591.3 Ų91.315%0.15344%0.443CS..EExtended strand (participates in β ladder)trans-106.5114174.4-58.60000108.3D392 E459 L460 N461D392-T433 VanDerWaalsContact O-O 3.11Å; T433-E459 HydrophobicContact CG2-CG 3.62Å; T433-E459 WeakPolarHBondContact CG2-OE1 3.14Å; T433-L460 WeakPolarHBondContact CA-O 3.11Å; T433-N461 PolarHBondContact OG1-OD1 2.68Å
434F50.5Low42.6Very low32 Ų3288.2 Ų88.214%0.1444%0.437CS..EExtended strand (participates in β ladder)trans-111.3126.9176.6-51.2-90.6000109.4L410 L432 V436 L460 L487L410-F434 HydrophobicContact CD1-CE1 4.44Å; L432-F434 HydrophobicContact CB-CD2 4.21Å; L432-F434 HydrophobicContact CB-CE2 3.39Å; L432-F434 HydrophobicContact CB-CZ 3.74Å; L432-F434 HydrophobicContact CD1-CE2 4.17Å; L432-F434 HydrophobicContact CD1-CZ 4.09Å; L432-F434 HydrophobicContact CG-CE2 4.4Å; L432-F434 HydrophobicContact CG-CZ 4.43Å; F434-V436 HydrophobicContact CB-CG2 3.77Å; F434-V436 PolarHBondContact O-N 2.79Å; F434-L460 HydrophobicContact CB-CB 4.24Å; F434-L460 HydrophobicContact CD2-CB 4.32Å; F434-L460 HydrophobicContact CD2-CD2 3.83Å; F434-L460 HydrophobicContact CD2-CG 4.24Å; F434-L460 HydrophobicContact CE2-CD2 4.41Å; F434-L460 PolarHBondContact N-O 3.03Å; F434-L460 PolarHBondContact O-N 2.84Å; F434-L487 HydrophobicContact CE2-CD1 3.67Å; F434-L487 HydrophobicContact CZ-CD1 3.84Å
435R40.9Very low41.7Very low131 Ų13194.5 Ų94.549%0.49446%0.456SS..EExtended strand (participates in β ladder)trans-83.395.7160.7-73.1-167.5-171.7157.614.3108.9
436V42.2Very low40.7Very low38 Ų3887.7 Ų87.723%0.2344%0.438CS..EExtended strand (participates in β ladder)trans-93.9128.4176.2-167.60000107.7F434 M438 G458 L460F434-V436 HydrophobicContact CB-CG2 3.77Å; F434-V436 PolarHBondContact O-N 2.79Å; V436-M438 HydrophobicContact CB-SD 4.37Å; V436-M438 HydrophobicContact CG1-SD 3.84Å; V436-G458 PolarHBondContact N-O 3.29Å; V436-G458 PolarHBondContact O-N 2.95Å; V436-L460 HydrophobicContact CG2-CB 4.26Å
437R37.9Very low39.6Very low81 Ų8193 Ų9331%0.30646%0.455SS..EExtended strand (participates in β ladder)trans-94.3120.3175.1-166.4-179.6-165.7-178.34.2106.4F453 G455 F457R437-F453 WeakPolarHBondContact CB-O 3.34Å; R437-F453 WeakPolarHBondContact CD-O 3.25Å; R437-F453 VanDerWaalsContact CG-O 3.24Å; R437-F453 WeakPolarHBondContact CG-O 3.47Å; R437-F453 CarbonylContact O-C 3.47Å; R437-F453 VanDerWaalsContact O-CB 3.23Å; R437-F453 WeakPolarHBondContact O-CB 3.38Å; R437-G455 WeakPolarHBondContact CD-O 3.24Å; R437-G455 WeakPolarHBondContact CG-O 3.32Å; R437-G455 PolarHBondContact NE-O 3.22Å; R437-F457 HydrophobicContact CB-CD1 3.91Å; R437-F457 HydrophobicContact CB-CE1 3.92Å; R437-F457 HydrophobicContact CG-CD1 4.05Å; R437-F457 HydrophobicContact CG-CE1 3.95Å; R437-F457 HydrophobicContact CG-CG 4.46Å; R437-F457 HydrophobicContact CG-CZ 4.26Å
438M35.8Very low38.4Very low37 Ų3789.3 Ų89.318%0.18244%0.442CS..PPolyproline II helixtrans-96.6136.9-170.5-62.4-57.2-60.600111.4V436 G455 A456 S491 P497V436-M438 HydrophobicContact CB-SD 4.37Å; V436-M438 HydrophobicContact CG1-SD 3.84Å; M438-G455 WeakPolarHBondContact O-CA 3.44Å; M438-A456 PolarHBondContact N-O 3.27Å; M438-S491 WeakPolarHBondContact CE-OG 2.95Å; M438-P497 HydrophobicContact SD-CB 3.98Å
439S36.7Very low37.3Very low42 Ų4296.3 Ų96.329%0.29447%0.466SS..  trans-110.4141.3164.661.40000110.4C441 F453 Q454S439-C441 PolarHBondContact O-N 3.49Å; S439-C441 VanDerWaalsContact O-N 3.09Å; S439-F453 WeakPolarHBondContact OG-CD1 3.2Å; S439-Q454 WeakPolarHBondContact CB-O 3.06Å
440E28.8Very low36.4Very low198 Ų19898.3 Ų98.393%0.92547%0.468SS*.  trans-57.6112168.7-72.3175.716500109.6
441C31.7Very low35.3Very low75 Ų75102.6 Ų102.651%0.50749%0.488SS..  trans-120.599.2172.8-149.80000108.7S439 S443S439-C441 PolarHBondContact O-N 3.49Å; S439-C441 VanDerWaalsContact O-N 3.09Å; C441-S443 PolarHBondContact O-N 3.26Å
442T28.7Very low34.5Very low145 Ų145101.5 Ų101.589%0.8950%0.495SS*.  trans-8474.4171.339.70000109.7
443S30.1Very low33.4Very low75 Ų75104 Ų10452%0.52451%0.506SS..  trans-163.9129.9159.259.50000112.4C441 K445C441-S443 PolarHBondContact O-N 3.26Å; S443-K445 PolarHBondContact O-N 3.09Å
444D26.6Very low32.6Very low164 Ų164108 Ų10888%0.87752%0.523SS*.SBendtrans-64.8127.4168.9-72.1-45000110
445K25.4Very low31.9Very low198 Ų198108 Ų10886%0.86153%0.532SS*.  trans86.982.8175.8-52.5173.1179.9175.90115.9S443S443-K445 PolarHBondContact O-N 3.09Å
446V27.4Very low31.7Very low72 Ų72105.7 Ų105.744%0.43654%0.541SS..  trans-140.6126.2152.7-168.20000111.6Y448V446-Y448 HydrophobicContact CB-CD2 3.73Å; V446-Y448 HydrophobicContact CB-CE1 4.39Å; V446-Y448 HydrophobicContact CB-CE2 3.21Å; V446-Y448 HydrophobicContact CG1-CD1 3.94Å; V446-Y448 HydrophobicContact CG1-CD2 3.67Å; V446-Y448 HydrophobicContact CG1-CE1 3.49Å; V446-Y448 VanDerWaalsContact CG1-CE1 3.49Å; V446-Y448 HydrophobicContact CG1-CE2 3.25Å; V446-Y448 HydrophobicContact CG1-CG 4.01Å; V446-Y448 WeakPolarHBondContact CG1-OH 3.1Å; V446-Y448 HydrophobicContact CG2-CE2 3.87Å; V446-Y448 PolarHBondContact O-N 2.89Å
447R23.7Very low31.8Very low234 Ų234110.6 Ų110.688%0.88356%0.559SS**  trans-74109.1167.1-80.7178.1-178.5162.21108.4
448Y27.4Very low32.1Very low101 Ų101107.6 Ų107.640%0.39655%0.554SS.*  trans-109.4120.3174.8-71.1-69.4000112.3V446 F453V446-Y448 HydrophobicContact CB-CD2 3.73Å; V446-Y448 HydrophobicContact CB-CE1 4.39Å; V446-Y448 HydrophobicContact CB-CE2 3.21Å; V446-Y448 HydrophobicContact CG1-CD1 3.94Å; V446-Y448 HydrophobicContact CG1-CD2 3.67Å; V446-Y448 HydrophobicContact CG1-CE1 3.49Å; V446-Y448 VanDerWaalsContact CG1-CE1 3.49Å; V446-Y448 HydrophobicContact CG1-CE2 3.25Å; V446-Y448 HydrophobicContact CG1-CG 4.01Å; V446-Y448 WeakPolarHBondContact CG1-OH 3.1Å; V446-Y448 HydrophobicContact CG2-CE2 3.87Å; V446-Y448 PolarHBondContact O-N 2.89Å; Y448-F453 HydrophobicContact CD1-CE1 4.39Å; Y448-F453 HydrophobicContact CD1-CZ 4.13Å; Y448-F453 HydrophobicContact CD2-CZ 4.15Å; Y448-F453 HydrophobicContact CE1-CE1 4.47Å; Y448-F453 HydrophobicContact CG-CE1 4.45Å; Y448-F453 AromaticContact CG-CZ 3.88Å; Y448-F453 HydrophobicContact CG-CZ 3.88Å
449R27.3Very low32.8Very low173 Ų173111.3 Ų111.365%0.65357%0.571SS**  trans-56.7152.3150.4-118.9173.8171.7159.6-6.4108.2D407 Q451D407-R449 IonicContact OD2-CZ 3.64Å; D407-R449 IonicContact OD2-NE 3.71Å; D407-R449 IonicContact OD2-NH2 3.89Å; D407-R449 PolarHBondContact OD2-NH2 2.81Å; R449-Q451 PolarHBondContact O-N 3.22Å
450I32.9Very low33.7Very low96 Ų96109.7 Ų109.749%0.49256%0.559SS.*  trans-58.387.5177.4-56.5173.4000109.5
451Q32.8Very low35.2Very low108 Ų108104 Ų10451%0.50554%0.535SS..  trans-98.4118.4168.2-81.6-179.5-32.700105.4R449 F453R449-Q451 PolarHBondContact O-N 3.22Å; Q451-F453 HydrophobicContact CB-CZ 4.41Å; Q451-F453 WeakPolarHBondContact O-CD2 3.25Å; Q451-F453 WeakPolarHBondContact O-CE2 3.49Å; Q451-F453 PolarHBondContact O-N 2.86Å
452T35.3Very low36.8Very low103 Ų103102 Ų10263%0.63252%0.518SS*.  trans-56.3105.2170.9430000109.7R383R383-T452 PolarHBondContact NH2-OG1 3.33Å
453F32.3Very low38.5Very low57 Ų5799.7 Ų99.725%0.2550%0.5CS..  trans-81.4158.2179.4-54.2-94.2000111.5R437 S439 Y448 Q451R437-F453 WeakPolarHBondContact CB-O 3.34Å; R437-F453 WeakPolarHBondContact CD-O 3.25Å; R437-F453 VanDerWaalsContact CG-O 3.24Å; R437-F453 WeakPolarHBondContact CG-O 3.47Å; R437-F453 CarbonylContact O-C 3.47Å; R437-F453 VanDerWaalsContact O-CB 3.23Å; R437-F453 WeakPolarHBondContact O-CB 3.38Å; S439-F453 WeakPolarHBondContact OG-CD1 3.2Å; Y448-F453 HydrophobicContact CD1-CE1 4.39Å; Y448-F453 HydrophobicContact CD1-CZ 4.13Å; Y448-F453 HydrophobicContact CD2-CZ 4.15Å; Y448-F453 HydrophobicContact CE1-CE1 4.47Å; Y448-F453 HydrophobicContact CG-CE1 4.45Å; Y448-F453 AromaticContact CG-CZ 3.88Å; Y448-F453 HydrophobicContact CG-CZ 3.88Å; Q451-F453 HydrophobicContact CB-CZ 4.41Å; Q451-F453 WeakPolarHBondContact O-CD2 3.25Å; Q451-F453 WeakPolarHBondContact O-CE2 3.49Å; Q451-F453 PolarHBondContact O-N 2.86Å
454Q30.4Very low40.1Very low107 Ų10796.6 Ų96.650%0.548%0.478SS..SBendtrans-97.9121.3179.6-65.8-173.9-1.200110.5N297 S439N297-Q454 PolarHBondContact OD1-NE2 3.27Å; N297-Q454 VanDerWaalsContact OD1-NE2 3.13Å; S439-Q454 WeakPolarHBondContact CB-O 3.06Å
455G34.7Very low41.7Very low32 Ų3295.7 Ų95.733%0.3347%0.468SS..SBendtrans161.2-155.9174.700000113.4R437 M438R437-G455 WeakPolarHBondContact CD-O 3.24Å; R437-G455 WeakPolarHBondContact CG-O 3.32Å; R437-G455 PolarHBondContact NE-O 3.22Å; M438-G455 WeakPolarHBondContact O-CA 3.44Å
456A37.6Very low43.5Very low83 Ų8387.6 Ų87.669%0.68644%0.436SS*.  trans-69.1145.6-179.100000111.4M438M438-A456 PolarHBondContact N-O 3.27Å
457F44.5Very low45Very low141 Ų14189.6 Ų89.662%0.61844%0.439SS*.EExtended strand (participates in β ladder)trans-80.8130.1179.3-66.6-84.6000110.4R437R437-F457 HydrophobicContact CB-CD1 3.91Å; R437-F457 HydrophobicContact CB-CE1 3.92Å; R437-F457 HydrophobicContact CG-CD1 4.05Å; R437-F457 HydrophobicContact CG-CE1 3.95Å; R437-F457 HydrophobicContact CG-CG 4.46Å; R437-F457 HydrophobicContact CG-CZ 4.26Å
458G44.3Very low46.5Very low19 Ų1982 Ų8220%0.19641%0.412CS..EExtended strand (participates in β ladder)trans-115153.6165.900000110.8V436V436-G458 PolarHBondContact N-O 3.29Å; V436-G458 PolarHBondContact O-N 2.95Å
459E50Low47.8Very low115 Ų11581.7 Ų81.754%0.53741%0.411SS..EExtended strand (participates in β ladder)trans-100.1121174.6-164.5-177.6139.600109.1T433 N461T433-E459 HydrophobicContact CG2-CG 3.62Å; T433-E459 WeakPolarHBondContact CG2-OE1 3.14Å; E459-N461 PolarHBondContact OE1-ND2 2.78Å; E459-N461 PolarHBondContact OE1-OD1 3.28Å
460L56.3Low49.2Very low7 Ų778.5 Ų78.54%0.03741%0.407CS..EExtended strand (participates in β ladder)trans-102.5116.2173178.874.5000108.3L432 T433 F434 V436 C489 P497 V499L432-L460 VanDerWaalsContact O-O 3.14Å; T433-L460 WeakPolarHBondContact CA-O 3.11Å; F434-L460 HydrophobicContact CB-CB 4.24Å; F434-L460 HydrophobicContact CD2-CB 4.32Å; F434-L460 HydrophobicContact CD2-CD2 3.83Å; F434-L460 HydrophobicContact CD2-CG 4.24Å; F434-L460 HydrophobicContact CE2-CD2 4.41Å; F434-L460 PolarHBondContact N-O 3.03Å; F434-L460 PolarHBondContact O-N 2.84Å; V436-L460 HydrophobicContact CG2-CB 4.26Å; L460-C489 HydrophobicContact CD2-CB 4.38Å; L460-C489 WeakPolarHBondContact CD2-SG 3.41Å; L460-P497 HydrophobicContact CB-CB 4.4Å; L460-P497 HydrophobicContact CB-CG 4.27Å; L460-P497 HydrophobicContact CD1-CB 4.32Å; L460-P497 WeakPolarHBondContact CD1-O 3.41Å; L460-V499 HydrophobicContact CD1-CG2 4.04Å; L460-V499 HydrophobicContact CD2-CG2 3.97Å; L460-V499 HydrophobicContact CG-CG2 4.32Å
461N59.2Low50.4Low78 Ų7880.1 Ų80.142%0.41742%0.424SS..EExtended strand (participates in β ladder)trans-105.8117.7174.6-76.3-52.9000109.7L432 T433 E459L432-N461 WeakPolarHBondContact O-CA 3.36Å; T433-N461 PolarHBondContact OG1-OD1 2.68Å; E459-N461 PolarHBondContact OE1-ND2 2.78Å; E459-N461 PolarHBondContact OE1-OD1 3.28Å
462H65.3Low51.8Low33 Ų3379.3 Ų79.315%0.15344%0.436CS..EExtended strand (participates in β ladder)trans-122.2128.7175.4-164.758.7000110.7L432 L487 V499 E502L432-H462 HydrophobicContact CB-CB 4.3Å; L432-H462 HydrophobicContact CD1-CB 4.42Å; L432-H462 PolarHBondContact N-O 3.06Å; L432-H462 PolarHBondContact O-N 3.19Å; H462-L487 HydrophobicContact CB-CD1 4.45Å; H462-V499 HydrophobicContact CB-CG2 4.14Å; H462-E502 IonicContact CD2-OE2 3.79Å; H462-E502 IonicContact CE1-OE2 3.56Å; H462-E502 PolarHBondContact CE1-OE2 3.45Å; H462-E502 VanDerWaalsContact CE1-OE2 3.28Å; H462-E502 IonicContact NE2-OE2 3.89Å; H462-E502 PolarHBondContact NE2-OE2 2.86Å
463N65.4Low53.2Low98 Ų9877.2 Ų77.252%0.52442%0.421SS..EExtended strand (participates in β ladder)trans-106.1120.4-178.9-65.2-56.9000109.7I430I430-N463 WeakPolarHBondContact O-CA 3.45Å
464L62.7Low54.7Low10 Ų1079 Ų795%0.05244%0.44CS..EExtended strand (participates in β ladder)trans-100.3132.1169.7-57.9165.8000109.7I430 L432 M485 E502 L504I430-L464 HydrophobicContact CB-CB 4.2Å; I430-L464 PolarHBondContact N-O 2.96Å; I430-L464 PolarHBondContact O-N 2.87Å; L432-L464 HydrophobicContact CD1-CD1 3.95Å; L432-L464 HydrophobicContact CD1-CG 4.35Å; L464-M485 HydrophobicContact CD1-CE 3.98Å; L464-M485 HydrophobicContact CD1-SD 3.53Å; L464-M485 VanDerWaalsContact CD1-SD 3.53Å; L464-M485 HydrophobicContact CD2-SD 3.72Å; L464-M485 HydrophobicContact CG-SD 4.12Å; L464-E502 WeakPolarHBondContact CD2-OE1 3.08Å; L464-L504 HydrophobicContact CD2-CD2 4.34Å
465Q61.8Low56.3Low144 Ų14477.8 Ų77.867%0.67344%0.435SS*.EExtended strand (participates in β ladder)trans-98.4103.3167.7-74.3-169.23.900109.6
466C61.6Low57.4Low28 Ų2877.9 Ų77.919%0.18943%0.432CS..EExtended strand (participates in β ladder)trans-106.1142.2177.6-62.20000110.6N428 I430 F468N428-C466 PolarHBondContact N-O 3.03Å; N428-C466 PolarHBondContact O-N 3.26Å; I430-C466 HydrophobicContact CD1-CB 4.43Å; C466-F468 HydrophobicContact CB-CD2 4.27Å; C466-F468 HydrophobicContact CB-CE2 3.57Å; C466-F468 HydrophobicContact CB-CZ 3.82Å
467K58.6Low58.2Low114 Ų11482.4 Ų82.450%0.49644%0.439SS..EExtended strand (participates in β ladder)trans-103.4122.7164.7-74.7-176.7-175.9170.30108.2Y469K467-Y469 HydrophobicContact CB-CE2 3.96Å
468F56.9Low58.6Low74 Ų7486.1 Ų86.133%0.32545%0.449SS..  trans-99.9134174.9-62.4-90.3000108.7F419 N428 I430 C466F419-F468 HydrophobicContact CE1-CD2 4.28Å; F419-F468 HydrophobicContact CE1-CE2 4.11Å; F419-F468 HydrophobicContact CZ-CE2 4.43Å; N428-F468 HydrophobicContact CB-CD2 4.29Å; N428-F468 HydrophobicContact CB-CE2 4.04Å; N428-F468 WeakPolarHBondContact ND2-CD2 3.45Å; I430-F468 HydrophobicContact CD1-CZ 4.29Å; C466-F468 HydrophobicContact CB-CD2 4.27Å; C466-F468 HydrophobicContact CB-CE2 3.57Å; C466-F468 HydrophobicContact CB-CZ 3.82Å
469Y54.7Low59Low96 Ų9687.1 Ų87.138%0.37646%0.459SS..  trans-109.4144.3177.3-64.3-89.9000109K467 D473 H475 A476K467-Y469 HydrophobicContact CB-CE2 3.96Å; Y469-D473 HydrophobicContact CD1-CB 4.46Å; Y469-H475 HydrophobicContact CD1-CB 3.77Å; Y469-H475 HydrophobicContact CE1-CB 3.46Å; Y469-H475 VanDerWaalsContact CE1-CB 3.46Å; Y469-A476 HydrophobicContact CG-CB 4.41Å
470D55.8Low59.1Low105 Ų10589.2 Ų89.256%0.56147%0.474SS*.  trans-60.3138.8165.7-172.2-56.8000108.1A472 D473D470-A472 PolarHBondContact O-N 2.89Å; D470-A472 WeakPolarHBondContact OD1-CB 3.19Å; D470-A472 PolarHBondContact OD1-N 2.9Å; D470-D473 HydrophobicContact CB-CB 4.25Å; D470-D473 VanDerWaalsContact O-CB 3.25Å; D470-D473 WeakPolarHBondContact O-CB 3.4Å; D470-D473 PolarHBondContact O-N 2.82Å
471P59.1Low59.1Low130 Ų13097.7 Ų97.784%0.84451%0.511SS*.THydrogen-bonded Turntrans-53.2-23.9175.6-26.734.3000114.5
472A62.1Low59Low92 Ų9297.9 Ų97.976%0.7651%0.508SS*.THydrogen-bonded Turntrans-90.5-4.6175.600000114.3D470 S474D470-A472 PolarHBondContact O-N 2.89Å; D470-A472 WeakPolarHBondContact OD1-CB 3.19Å; D470-A472 PolarHBondContact OD1-N 2.9Å; A472-S474 PolarHBondContact O-N 3.47Å
473D63Low58.5Low59 Ų59101.7 Ų101.732%0.31653%0.533SS..  trans-71.3127.2177.2-167.8-35.3000109.9Y469 D470 H475 A476Y469-D473 HydrophobicContact CD1-CB 4.46Å; D470-D473 HydrophobicContact CB-CB 4.25Å; D470-D473 VanDerWaalsContact O-CB 3.25Å; D470-D473 WeakPolarHBondContact O-CB 3.4Å; D470-D473 PolarHBondContact O-N 2.82Å; D473-H475 PolarHBondContact O-N 3.42Å; D473-H475 VanDerWaalsContact O-N 3.11Å; D473-H475 WeakPolarHBondContact OD1-CB 3.37Å; D473-H475 IonicContact OD1-CD2 3.28Å; D473-H475 IonicContact OD1-CG 3.2Å; D473-H475 PolarHBondContact OD1-N 2.94Å; D473-A476 HydrophobicContact CB-CB 4.39Å; D473-A476 WeakPolarHBondContact O-CB 3.47Å; D473-A476 PolarHBondContact O-N 3.16Å
474S65.5Low58.1Low94 Ų9499.8 Ų99.866%0.65753%0.527SS*.G310 helixtrans-57.3-25.4176.148.30000113.5A472A472-S474 PolarHBondContact O-N 3.47Å
475H63.4Low58.2Low82 Ų82101.6 Ų101.638%0.3854%0.536SS..G310 helixtrans-81.7-11.5174.5-66.8-64.7000113.7Y469 D473 Q477 W478Y469-H475 HydrophobicContact CD1-CB 3.77Å; Y469-H475 HydrophobicContact CE1-CB 3.46Å; Y469-H475 VanDerWaalsContact CE1-CB 3.46Å; D473-H475 PolarHBondContact O-N 3.42Å; D473-H475 VanDerWaalsContact O-N 3.11Å; D473-H475 WeakPolarHBondContact OD1-CB 3.37Å; D473-H475 IonicContact OD1-CD2 3.28Å; D473-H475 IonicContact OD1-CG 3.2Å; D473-H475 PolarHBondContact OD1-N 2.94Å; H475-Q477 PolarHBondContact O-N 3.27Å; H475-W478 WeakPolarHBondContact O-CB 3.38Å; H475-W478 PolarHBondContact O-N 3Å
476A57.3Low58.2Low34 Ų3499.2 Ų99.228%0.28152%0.523SS..G310 helixtrans-61.9-23174.400000112.1Y469 D473 W478Y469-A476 HydrophobicContact CG-CB 4.41Å; D473-A476 HydrophobicContact CB-CB 4.39Å; D473-A476 WeakPolarHBondContact O-CB 3.47Å; D473-A476 PolarHBondContact O-N 3.16Å; A476-W478 VanDerWaalsContact C-N 3.26Å; A476-W478 PolarHBondContact O-N 2.93Å
477Q53.8Low58.3Low178 Ų17898.9 Ų98.983%0.83252%0.52SS*.G310 helixtrans-78.8-6.6174.5-62.4-161.9-4.900113.9H475H475-Q477 PolarHBondContact O-N 3.27Å
478W53.1Low58.3Low219 Ų21995.8 Ų95.883%0.8351%0.507SS*.G310 helixtrans-103.610.4-176.5-70.629.8000112.6H475 A476H475-W478 WeakPolarHBondContact O-CB 3.38Å; H475-W478 PolarHBondContact O-N 3Å; A476-W478 VanDerWaalsContact C-N 3.26Å; A476-W478 PolarHBondContact O-N 2.93Å
479G52.7Low58.6Low39 Ų3995.1 Ų95.140%0.40251%0.511SS..SBendtrans-128.2148.6177.700000112.2
480D52.4Low58.8Low159 Ų15992.7 Ų92.785%0.8551%0.508SS*.  trans-67.2139170.9-64.5-46.4000110F482D480-F482 PolarHBondContact O-N 2.73Å
481K56Low58.8Low186 Ų18690 Ų9081%0.80950%0.497SS*.  trans-71.9114.5171.8-69.8-177.6-178.5178.90107.5V483K481-V483 PolarHBondContact O-N 2.63Å; K481-V483 VanDerWaalsContact O-N 3.09Å
482F57.7Low58.7Low81 Ų8185.9 Ų85.936%0.35548%0.479SS..  trans-64.4110.3172.9-176.2-100.8000110.4W414 D480 M485 L504 K505W414-F482 AromaticContact CH2-CD1 3.67Å; W414-F482 HydrophobicContact CH2-CD1 3.67Å; W414-F482 AromaticContact CH2-CE1 3.53Å; W414-F482 HydrophobicContact CH2-CE1 3.53Å; W414-F482 AromaticContact CZ2-CD1 3.94Å; W414-F482 HydrophobicContact CZ2-CD1 3.94Å; W414-F482 HydrophobicContact CZ2-CE1 4.21Å; W414-F482 HydrophobicContact CZ3-CE1 4.36Å; D480-F482 PolarHBondContact O-N 2.73Å; F482-M485 HydrophobicContact CE2-CB 3.78Å; F482-M485 HydrophobicContact CZ-CB 3.65Å; F482-L504 HydrophobicContact CD2-CD2 4.26Å; F482-L504 HydrophobicContact CE2-CD2 3.63Å; F482-K505 CarbonylContact C-O 3.51Å
483V55.2Low58.2Low113 Ų11391.8 Ų91.869%0.68549%0.49SS*.  trans-100.8-48.3176.9179.10000110K481 K505K481-V483 PolarHBondContact O-N 2.63Å; K481-V483 VanDerWaalsContact O-N 3.09Å; V483-K505 PolarHBondContact N-O 3.47Å
484C57.5Low57.9Low59 Ų5993 Ų9340%0.39951%0.508SS..  trans-155.5161.9177.969.70000112.2K505C484-K505 PolarHBondContact N-O 3.47Å; C484-K505 PolarHBondContact O-N 3.26Å
485M62.9Low57.3Low48 Ų4890.4 Ų90.424%0.23650%0.497CS..EExtended strand (participates in β ladder)trans-124.6137.6170.3177.3-175.562.500109.2L432 L464 F482 L487 E502 E503 L504L432-M485 HydrophobicContact CD1-CE 3.2Å; L432-M485 HydrophobicContact CD1-SD 4.22Å; L464-M485 HydrophobicContact CD1-CE 3.98Å; L464-M485 HydrophobicContact CD1-SD 3.53Å; L464-M485 VanDerWaalsContact CD1-SD 3.53Å; L464-M485 HydrophobicContact CD2-SD 3.72Å; L464-M485 HydrophobicContact CG-SD 4.12Å; F482-M485 HydrophobicContact CE2-CB 3.78Å; F482-M485 HydrophobicContact CZ-CB 3.65Å; M485-L487 HydrophobicContact CE-CD1 3.76Å; M485-L487 HydrophobicContact CE-CD2 4.08Å; M485-L487 HydrophobicContact CE-CG 3.74Å; M485-L487 HydrophobicContact CG-CD2 4.04Å; M485-L487 HydrophobicContact CG-CG 4.21Å; M485-L487 HydrophobicContact SD-CD1 4.38Å; M485-L487 HydrophobicContact SD-CD2 3.61Å; M485-L487 HydrophobicContact SD-CG 3.94Å; M485-E502 HydrophobicContact CG-CG 4.42Å; M485-E502 HydrophobicContact SD-CG 4.41Å; M485-E503 CarbonylContact C-O 3.49Å; M485-E503 WeakPolarHBondContact CA-O 3.43Å; M485-L504 HydrophobicContact CB-CD2 4Å; M485-L504 HydrophobicContact CG-CD2 3.76Å; M485-L504 HydrophobicContact SD-CD2 4Å
486K62.8Low57Low94 Ų9492.2 Ų92.241%0.40951%0.508SS..EExtended strand (participates in β ladder)trans-113.1122.1168.9-172-168.3179.9-147.60108.6E488 E503K486-E488 IonicContact NZ-OE1 3.28Å; K486-E488 PolarHBondContact NZ-OE1 3.26Å; K486-E503 HydrophobicContact CB-CB 4.25Å; K486-E503 PolarHBondContact N-O 2.7Å; K486-E503 PolarHBondContact O-N 3.32Å
487L62.8Low57.1Low21 Ų2191 Ų9111%0.1150%0.497CS..EExtended strand (participates in β ladder)trans-104.1124.1171.4-61.8178.7000108.8L432 F434 H462 M485 V499 E502L432-L487 HydrophobicContact CD1-CD1 4.1Å; F434-L487 HydrophobicContact CE2-CD1 3.67Å; F434-L487 HydrophobicContact CZ-CD1 3.84Å; H462-L487 HydrophobicContact CB-CD1 4.45Å; M485-L487 HydrophobicContact CE-CD1 3.76Å; M485-L487 HydrophobicContact CE-CD2 4.08Å; M485-L487 HydrophobicContact CE-CG 3.74Å; M485-L487 HydrophobicContact CG-CD2 4.04Å; M485-L487 HydrophobicContact CG-CG 4.21Å; M485-L487 HydrophobicContact SD-CD1 4.38Å; M485-L487 HydrophobicContact SD-CD2 3.61Å; M485-L487 HydrophobicContact SD-CG 3.94Å; L487-V499 HydrophobicContact CD1-CG2 4.39Å; L487-V499 HydrophobicContact CD2-CG1 3.92Å; L487-V499 HydrophobicContact CD2-CG2 4.42Å; L487-E502 HydrophobicContact CD2-CB 4.17Å; L487-E502 HydrophobicContact CD2-CG 3.94Å
488E60.2Low57.5Low48 Ų4885 Ų8522%0.22448%0.476CS..EExtended strand (participates in β ladder)trans-96.3128.8164.5-53.9-165.3165.100108K486 V499 V500 Q501K486-E488 IonicContact NZ-OE1 3.28Å; K486-E488 PolarHBondContact NZ-OE1 3.26Å; E488-V499 CarbonylContact O-C 3.5Å; E488-V499 WeakPolarHBondContact O-CA 3.47Å; E488-V500 HydrophobicContact CB-CG2 3.98Å; E488-V500 VanDerWaalsContact O-CG2 3.25Å; E488-V500 WeakPolarHBondContact O-CG2 3.24Å; E488-V500 PolarHBondContact O-N 2.96Å; E488-Q501 HydrophobicContact CB-CB 3.9Å; E488-Q501 HydrophobicContact CG-CB 4.11Å; E488-Q501 PolarHBondContact N-O 2.78Å; E488-Q501 PolarHBondContact O-N 3.03Å; E488-Q501 PolarHBondContact OE2-OE1 3.46Å
489C62.4Low58.2Low60 Ų6076.4 Ų76.441%0.40545%0.447SS..EExtended strand (participates in β ladder)trans-120.4148.1-174.9-54.30000110.1L460 S498L460-C489 HydrophobicContact CD2-CB 4.38Å; L460-C489 WeakPolarHBondContact CD2-SG 3.41Å; C489-S498 CarbonylContact C-O 3.58Å; C489-S498 WeakPolarHBondContact CA-O 3.35Å
490S58.3Low59.1Low45 Ų4578.8 Ų78.832%0.31545%0.454SS..EExtended strand (participates in β ladder)trans-134.3154.3173.181.60000110.3P497 S498 V500S490-P497 CarbonylContact O-C 3.54Å; S490-P497 WeakPolarHBondContact O-CA 3.32Å; S490-S498 PolarHBondContact N-O 3.5Å; S490-S498 PolarHBondContact O-N 2.83Å; S490-S498 PolarHBondContact O-OG 3.26Å; S490-V500 WeakPolarHBondContact OG-CG1 3.31Å
491S55.9Low59.9Low49 Ų4976 Ų7634%0.34344%0.435SS..EExtended strand (participates in β ladder)trans-99124.915846.50000108.9M438M438-S491 WeakPolarHBondContact CE-OG 2.95Å
492G56.6Low60.6Low44 Ų4470.8 Ų70.845%0.45441%0.414SS..  trans-67.9179.6160.600000111.4A494 G495G492-A494 PolarHBondContact O-N 2.94Å; G492-G495 PolarHBondContact O-N 2.94Å
493E51.8Low61Low215 Ų21570.2 Ų70.2100%1.00541%0.412SS*.THydrogen-bonded Turntrans-52.4-23.8-179.2-66.4-179.2164.200114.3G495E493-G495 VanDerWaalsContact C-N 3.33Å; E493-G495 PolarHBondContact O-N 2.99Å
494A57.5Low61.4Low84 Ų8469.4 Ų69.469%0.69440%0.404SS*.THydrogen-bonded Turntrans-81.4-1.6178.700000114.9G492 I496G492-A494 PolarHBondContact O-N 2.94Å; A494-I496 HydrophobicContact CB-CD1 4.35Å; A494-I496 HydrophobicContact CB-CG1 4.31Å; A494-I496 PolarHBondContact O-N 2.91Å; A494-I496 VanDerWaalsContact O-N 3.15Å
495G52.9Low61.6Low41 Ų4173 Ų7342%0.42341%0.413SS..  trans70.16-178.700000115G492 E493 P497G492-G495 PolarHBondContact O-N 2.94Å; E493-G495 VanDerWaalsContact C-N 3.33Å; E493-G495 PolarHBondContact O-N 2.99Å; G495-P497 WeakPolarHBondContact O-CD 3.49Å
496I56.2Low61.5Low119 Ų11974.3 Ų74.361%0.6142%0.421SS*.  trans-82.7118.6175.7-57.5174000108.1A494A494-I496 HydrophobicContact CB-CD1 4.35Å; A494-I496 HydrophobicContact CB-CG1 4.31Å; A494-I496 PolarHBondContact O-N 2.91Å; A494-I496 VanDerWaalsContact O-N 3.15Å
497P59.4Low61.5Low9 Ų973.3 Ų73.36%0.05842%0.422CS..EExtended strand (participates in β ladder)trans-68135.4176.127.2-32000110.6M438 L460 S490 G495M438-P497 HydrophobicContact SD-CB 3.98Å; L460-P497 HydrophobicContact CB-CB 4.4Å; L460-P497 HydrophobicContact CB-CG 4.27Å; L460-P497 HydrophobicContact CD1-CB 4.32Å; L460-P497 WeakPolarHBondContact CD1-O 3.41Å; S490-P497 CarbonylContact O-C 3.54Å; S490-P497 WeakPolarHBondContact O-CA 3.32Å; G495-P497 WeakPolarHBondContact O-CD 3.49Å
498S62.5Low61.4Low53 Ų5376.2 Ų76.237%0.37144%0.439SS..EExtended strand (participates in β ladder)trans-133.3148.1173.764.10000110.7C489 S490 V500C489-S498 CarbonylContact C-O 3.58Å; C489-S498 WeakPolarHBondContact CA-O 3.35Å; S490-S498 PolarHBondContact N-O 3.5Å; S490-S498 PolarHBondContact O-N 2.83Å; S490-S498 PolarHBondContact O-OG 3.26Å; S498-V500 PolarHBondContact O-N 3.29Å
499V67.4Low61.5Low38 Ų3877.8 Ų77.823%0.2345%0.452CS..EExtended strand (participates in β ladder)trans-73.3122.6170.2-1800000108.2L460 H462 L487 E488 Q501L460-V499 HydrophobicContact CD1-CG2 4.04Å; L460-V499 HydrophobicContact CD2-CG2 3.97Å; L460-V499 HydrophobicContact CG-CG2 4.32Å; H462-V499 HydrophobicContact CB-CG2 4.14Å; L487-V499 HydrophobicContact CD1-CG2 4.39Å; L487-V499 HydrophobicContact CD2-CG1 3.92Å; L487-V499 HydrophobicContact CD2-CG2 4.42Å; E488-V499 CarbonylContact O-C 3.5Å; E488-V499 WeakPolarHBondContact O-CA 3.47Å; V499-Q501 WeakPolarHBondContact CG1-O 3.46Å
500V72.2Confident61.4Low89 Ų8978.9 Ų78.954%0.53946%0.455SS..EExtended strand (participates in β ladder)trans-100.1-27.1176.8-70.40000113.1E488 S490 S498E488-V500 HydrophobicContact CB-CG2 3.98Å; E488-V500 VanDerWaalsContact O-CG2 3.25Å; E488-V500 WeakPolarHBondContact O-CG2 3.24Å; E488-V500 PolarHBondContact O-N 2.96Å; S490-V500 WeakPolarHBondContact OG-CG1 3.31Å; S498-V500 PolarHBondContact O-N 3.29Å
501Q69.6Low61.6Low100 Ų10081.2 Ų81.247%0.46746%0.464SS..EExtended strand (participates in β ladder)trans-145.1140.2175.2-167.4178-20.100110.4E488 V499E488-Q501 HydrophobicContact CB-CB 3.9Å; E488-Q501 HydrophobicContact CG-CB 4.11Å; E488-Q501 PolarHBondContact N-O 2.78Å; E488-Q501 PolarHBondContact O-N 3.03Å; E488-Q501 PolarHBondContact OE2-OE1 3.46Å; V499-Q501 WeakPolarHBondContact CG1-O 3.46Å
502E69.9Low62Low76 Ų7683.5 Ų83.536%0.35547%0.473SS..EExtended strand (participates in β ladder)trans-122.9126.6173.4-179.4-177.6147.600108.3H462 L464 M485 L487 L504H462-E502 IonicContact CD2-OE2 3.79Å; H462-E502 IonicContact CE1-OE2 3.56Å; H462-E502 PolarHBondContact CE1-OE2 3.45Å; H462-E502 VanDerWaalsContact CE1-OE2 3.28Å; H462-E502 IonicContact NE2-OE2 3.89Å; H462-E502 PolarHBondContact NE2-OE2 2.86Å; L464-E502 WeakPolarHBondContact CD2-OE1 3.08Å; M485-E502 HydrophobicContact CG-CG 4.42Å; M485-E502 HydrophobicContact SD-CG 4.41Å; L487-E502 HydrophobicContact CD2-CB 4.17Å; L487-E502 HydrophobicContact CD2-CG 3.94Å; E502-L504 HydrophobicContact CG-CD2 4.32Å; E502-L504 HydrophobicContact CG-CG 4.25Å; E502-L504 WeakPolarHBondContact OE1-CD1 3.46Å; E502-L504 WeakPolarHBondContact OE1-CD2 3.42Å; E502-L504 WeakPolarHBondContact OE1-CG 3.32Å
503E66.5Low62.4Low69 Ų6986.5 Ų86.532%0.32248%0.475SS..EExtended strand (participates in β ladder)trans-121.2111.5171.9-175-174.1-179.800108M485 K486 K505M485-E503 CarbonylContact C-O 3.49Å; M485-E503 WeakPolarHBondContact CA-O 3.43Å; K486-E503 HydrophobicContact CB-CB 4.25Å; K486-E503 PolarHBondContact N-O 2.7Å; K486-E503 PolarHBondContact O-N 3.32Å; E503-K505 HydrophobicContact CG-CG 4.44Å; E503-K505 WeakPolarHBondContact OE1-CE 3.45Å; E503-K505 IonicContact OE1-NZ 2.71Å; E503-K505 PolarHBondContact OE1-NZ 3.15Å
504L65Low63.3Low97 Ų9775.8 Ų75.851%0.50843%0.43SS..EExtended strand (participates in β ladder)trans-94.2128.4172.2-58.4170.4000107.9L464 F482 M485 E502L464-L504 HydrophobicContact CD2-CD2 4.34Å; F482-L504 HydrophobicContact CD2-CD2 4.26Å; F482-L504 HydrophobicContact CE2-CD2 3.63Å; M485-L504 HydrophobicContact CB-CD2 4Å; M485-L504 HydrophobicContact CG-CD2 3.76Å; M485-L504 HydrophobicContact SD-CD2 4Å; E502-L504 HydrophobicContact CG-CD2 4.32Å; E502-L504 HydrophobicContact CG-CG 4.25Å; E502-L504 WeakPolarHBondContact OE1-CD1 3.46Å; E502-L504 WeakPolarHBondContact OE1-CD2 3.42Å; E502-L504 WeakPolarHBondContact OE1-CG 3.32Å
505K60.8Low63.8Low135 Ų13575.1 Ų75.159%0.58741%0.406SS*.  trans-117.20175.7-70.8-169.2-179.2-179.40112F482 V483 C484 E503F482-K505 CarbonylContact C-O 3.51Å; V483-K505 PolarHBondContact N-O 3.47Å; C484-K505 PolarHBondContact N-O 3.47Å; C484-K505 PolarHBondContact O-N 3.26Å; E503-K505 HydrophobicContact CG-CG 4.44Å; E503-K505 WeakPolarHBondContact OE1-CE 3.45Å; E503-K505 IonicContact OE1-NZ 2.71Å; E503-K505 PolarHBondContact OE1-NZ 3.15Å

Retrieved 505 of 505 residues in 221.5 ms (Link to these results)

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