A0A096MI28_POEFO Loading...

Cystathionine gamma-lyase

AlphaFold DB , UniProt , Accession A0A096MI28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.8Very low43.1Very low213 Ų213121.8 Ų121.8100%1.04967%0.668SS**  0-28.50-69.7-177.1-172.300114.1S4M1-S4 PolarHBondContact O-OG 2.72Å
2A31.9Very low46.9Very low89 Ų89113.8 Ų113.874%0.73662%0.623SS**THydrogen-bonded Turntrans-83.3-18.4176.800000115.5
3Q27.8Very low50.4Low177 Ų177109.7 Ų109.783%0.82760%0.596SS**THydrogen-bonded Turntrans-91.6-19.6178.5-81.2177.7-16.700114
4S35.9Very low53.4Low62 Ų62105.1 Ų105.143%0.43458%0.58SS.*Hα-helixtrans-72.9-39.2175.752.60000112.2M1 K6 H7 E8M1-S4 PolarHBondContact O-OG 2.72Å; S4-K6 VanDerWaalsContact C-N 3.3Å; S4-K6 PolarHBondContact O-N 3.45Å; S4-H7 PolarHBondContact O-N 3.31Å; S4-E8 PolarHBondContact O-N 3.28Å
5N38.6Very low56.1Low108 Ų108102.1 Ų102.158%0.57858%0.583SS**Hα-helixtrans-71-20.5-175.9-69.413.8000114.1A9N5-A9 PolarHBondContact O-N 2.67Å
6K34.7Very low58.7Low180 Ų18097.2 Ų97.278%0.78355%0.553SS**Hα-helixtrans-78.4-28.5175.3-83.4-172.4176-177.10112.9S4S4-K6 VanDerWaalsContact C-N 3.3Å; S4-K6 PolarHBondContact O-N 3.45Å
7H34.9Very low60.9Low164 Ų16497.6 Ų97.676%0.75954%0.544SS*.Hα-helixtrans-78-38.8177.1-106.6-62000111.9S4 G10S4-H7 PolarHBondContact O-N 3.31Å; H7-G10 PolarHBondContact O-N 3.49Å
8E46Very low62.8Low133 Ų13399.3 Ų99.362%0.62156%0.557SS**Hα-helixtrans-68.5-36.5177.9-74.4179.116200113.2S4 G10 D11 L12S4-E8 PolarHBondContact O-N 3.28Å; E8-G10 VanDerWaalsContact C-N 3.28Å; E8-G10 PolarHBondContact O-N 2.89Å; E8-D11 PolarHBondContact O-N 2.97Å; E8-L12 PolarHBondContact O-N 3.44Å
9A49.1Very low64.5Low47 Ų4797.3 Ų97.339%0.38855%0.554SS.*Hα-helixtrans-66.2-30.2176.700000113N5 D11N5-A9 PolarHBondContact O-N 2.67Å; A9-D11 VanDerWaalsContact C-N 3.31Å
10G55.8Low66.2Low57 Ų5794.1 Ų94.159%0.58853%0.534SS*.Hα-helixtrans-70.6-26.217600000113.6H7 E8H7-G10 PolarHBondContact O-N 3.49Å; E8-G10 VanDerWaalsContact C-N 3.28Å; E8-G10 PolarHBondContact O-N 2.89Å
11D75.8Confident67.6Low110 Ų11098.4 Ų98.459%0.58855%0.547SS*.Hα-helixtrans-86-34.7178.9-16432.3000112.3E8 A9 F13 A14E8-D11 PolarHBondContact O-N 2.97Å; A9-D11 VanDerWaalsContact C-N 3.31Å; D11-F13 VanDerWaalsContact C-N 3.32Å; D11-F13 PolarHBondContact O-N 3.5Å; D11-A14 WeakPolarHBondContact O-CB 3.49Å; D11-A14 PolarHBondContact O-N 3.31Å; D11-A14 VanDerWaalsContact O-N 3.07Å
12L88.9Confident70.2Confident25 Ų2591 Ų9113%0.13152%0.516CS..Hα-helixtrans-57.7-41.1-176.9-178.964.4000113.7E8 F276 K277 M280E8-L12 PolarHBondContact O-N 3.44Å; L12-F276 HydrophobicContact CD1-CD1 4.36Å; L12-F276 HydrophobicContact CD1-CD2 4.09Å; L12-F276 HydrophobicContact CD1-CE1 4.05Å; L12-F276 HydrophobicContact CD1-CE2 3.75Å; L12-F276 HydrophobicContact CD1-CG 4.38Å; L12-F276 HydrophobicContact CD1-CZ 3.72Å; L12-F276 HydrophobicContact CD2-CD1 4.1Å; L12-F276 HydrophobicContact CD2-CE1 4.36Å; L12-F276 HydrophobicContact CD2-CG 4.32Å; L12-F276 HydrophobicContact CG-CD1 4.01Å; L12-F276 HydrophobicContact CG-CE1 3.76Å; L12-F276 HydrophobicContact CG-CE2 4.36Å; L12-F276 HydrophobicContact CG-CG 4.42Å; L12-F276 HydrophobicContact CG-CZ 3.94Å; L12-F276 WeakPolarHBondContact O-CZ 3.44Å; L12-K277 HydrophobicContact CD2-CB 4.21Å; L12-K277 HydrophobicContact CD2-CG 3.36Å; L12-M280 HydrophobicContact CD1-CB 3.61Å; L12-M280 HydrophobicContact CD1-CE 4.05Å; L12-M280 HydrophobicContact CD1-CG 3.61Å
13F92.4Very high73.3Confident61 Ų6187 Ų8727%0.26848%0.482SS..THydrogen-bonded Turntrans-95.67.3-179.2-66.3-83.9000113D11 G15 F16 F201 E273 F276 T314D11-F13 VanDerWaalsContact C-N 3.32Å; D11-F13 PolarHBondContact O-N 3.5Å; F13-G15 PolarHBondContact O-N 2.91Å; F13-F16 PolarHBondContact O-N 3.03Å; F13-F201 HydrophobicContact CE1-CE1 4.12Å; F13-E273 HydrophobicContact CZ-CG 4.21Å; F13-F276 HydrophobicContact CD1-CD1 4.05Å; F13-F276 AromaticContact CD1-CE1 3.75Å; F13-F276 HydrophobicContact CD1-CE1 3.75Å; F13-F276 AromaticContact CE1-CD1 3.46Å; F13-F276 HydrophobicContact CE1-CD1 3.46Å; F13-F276 VanDerWaalsContact CE1-CD1 3.46Å; F13-F276 AromaticContact CE1-CE1 3.68Å; F13-F276 HydrophobicContact CE1-CE1 3.68Å; F13-F276 HydrophobicContact CG-CE1 4.37Å; F13-F276 AromaticContact CZ-CD1 3.73Å; F13-F276 HydrophobicContact CZ-CD1 3.73Å; F13-F276 HydrophobicContact CZ-CE1 4.22Å; F13-T314 WeakPolarHBondContact CD1-O 3.23Å
14A92.3Very high76.7Confident45 Ų4580 Ų8037%0.37246%0.455SS..THydrogen-bonded Turntrans-61.5128.3-175.100000111.7D11 F16D11-A14 WeakPolarHBondContact O-CB 3.49Å; D11-A14 PolarHBondContact O-N 3.31Å; D11-A14 VanDerWaalsContact O-N 3.07Å; A14-F16 PolarHBondContact O-N 3.12Å
15G93.5Very high79.7Confident61 Ų6181 Ų8163%0.62946%0.458SS*.THydrogen-bonded Turntrans79.1-9.5178.800000115.6F13 K310F13-G15 PolarHBondContact O-N 2.91Å; G15-K310 WeakPolarHBondContact O-CB 3.34Å
16F97.5Very high82.6Confident23 Ų2377.8 Ų77.810%0.10144%0.441CS..SBendtrans-71.3162.7170.1-73.2-92.3000111.4F13 A14 F276 M309 K310 C313 C316F13-F16 PolarHBondContact O-N 3.03Å; A14-F16 PolarHBondContact O-N 3.12Å; F16-F276 AromaticContact CE2-CZ 3.96Å; F16-F276 HydrophobicContact CE2-CZ 3.96Å; F16-F276 HydrophobicContact CZ-CZ 4.11Å; F16-M309 HydrophobicContact CE1-CG 4.11Å; F16-K310 HydrophobicContact CD1-CB 4.46Å; F16-K310 HydrophobicContact CD1-CG 4.15Å; F16-K310 HydrophobicContact CD2-CG 3.97Å; F16-K310 HydrophobicContact CE1-CG 4.05Å; F16-K310 HydrophobicContact CE2-CG 3.86Å; F16-K310 HydrophobicContact CG-CG 4.1Å; F16-K310 HydrophobicContact CZ-CG 3.9Å; F16-C313 HydrophobicContact CD1-CB 4.45Å; F16-C316 WeakPolarHBondContact CZ-SG 3.33Å
17R96.8Very high85.6Confident105 Ų10569.2 Ų69.240%0.39640%0.404SS..PPolyproline II helixtrans-61.6150.7170.8-59.5-176.484.7174.44.6110.4A19 K310 K311 C313 T314R17-A19 PolarHBondContact O-N 3.09Å; R17-K310 PolarHBondContact N-O 3.35Å; R17-K311 WeakPolarHBondContact CD-O 3.44Å; R17-K311 VanDerWaalsContact CG-O 3.29Å; R17-K311 WeakPolarHBondContact CG-O 3.47Å; R17-C313 WeakPolarHBondContact CB-O 3.44Å; R17-C313 WeakPolarHBondContact CG-O 3.45Å; R17-C313 PolarHBondContact N-O 2.72Å; R17-T314 HydrophobicContact CB-CG2 3.98Å; R17-T314 WeakPolarHBondContact O-CA 3.42Å; R17-T314 WeakPolarHBondContact O-CB 3.28Å
18T95.4Very high88.6Confident127 Ų12764.8 Ų64.878%0.77939%0.385SS*.PPolyproline II helixtrans-59.3137.4172.354.90000110.8T314T18-T314 VanDerWaalsContact O-CG2 3.28Å; T18-T314 WeakPolarHBondContact O-CG2 3.47Å
19A95.1Very high91.2Very high61 Ų6164 Ų6450%0.50438%0.381SS..PPolyproline II helixtrans-50.4147.117400000112.1R17 K21R17-A19 PolarHBondContact O-N 3.09Å; A19-K21 PolarHBondContact O-N 3.32Å
20F97.8Very high93.5Very high33 Ų3364.1 Ų64.115%0.14538%0.375CS..PPolyproline II helixtrans-66.2126.4-178.9-55.4-56.3000110.6S22 F23 S199 Y200 R203 T314F20-S22 PolarHBondContact O-N 3.45Å; F20-F23 HydrophobicContact CB-CB 4.41Å; F20-F23 HydrophobicContact CB-CD2 4.41Å; F20-F23 HydrophobicContact CD2-CD2 4.36Å; F20-F23 WeakPolarHBondContact O-CB 3.45Å; F20-F23 PolarHBondContact O-N 2.81Å; F20-S199 WeakPolarHBondContact CE2-O 3.46Å; F20-Y200 WeakPolarHBondContact CD2-O 3.24Å; F20-Y200 VanDerWaalsContact CE2-O 3.28Å; F20-Y200 WeakPolarHBondContact CE2-O 3.5Å; F20-R203 HydrophobicContact CD2-CG 4.12Å; F20-R203 HydrophobicContact CE1-CB 4.24Å; F20-R203 HydrophobicContact CE1-CG 4.06Å; F20-R203 HydrophobicContact CE2-CB 4.31Å; F20-R203 HydrophobicContact CE2-CG 3.61Å; F20-R203 HydrophobicContact CZ-CB 3.81Å; F20-R203 HydrophobicContact CZ-CG 3.58Å; F20-T314 HydrophobicContact CD1-CG2 4.49Å; F20-T314 HydrophobicContact CE1-CG2 4.07Å; F20-T314 HydrophobicContact CE2-CG2 4.13Å; F20-T314 HydrophobicContact CZ-CG2 3.86Å
21K96.2Very high95.6Very high186 Ų18661.4 Ų61.481%0.80935%0.347SS*.THydrogen-bonded Turntrans-55.5138.2-179-173.8179.4177.7-177.10110.6A19 F23A19-K21 PolarHBondContact O-N 3.32Å; K21-F23 PolarHBondContact O-N 3.39Å; K21-F23 VanDerWaalsContact O-N 3.09Å
22S96.9Very high96.6Very high58 Ų5856.8 Ų56.841%0.40632%0.322SS..THydrogen-bonded Turntrans61.67.1176.8-56.30000116.5F20 A24 T25 D26F20-S22 PolarHBondContact O-N 3.45Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 3.16Å; S22-A24 VanDerWaalsContact O-N 3.15Å; S22-T25 WeakPolarHBondContact O-CA 3.41Å; S22-T25 WeakPolarHBondContact O-CB 3.39Å; S22-T25 PolarHBondContact O-N 3.02Å; S22-D26 WeakPolarHBondContact O-CB 3.43Å; S22-D26 VanDerWaalsContact O-CG 3.31Å; S22-D26 PolarHBondContact O-N 2.8Å
23F98.6Very high97.1Very high4 Ų459.1 Ų59.12%0.01833%0.332CS..Hα-helixtrans-50.8-47.3-173.6-173.5-79.8000113.8F20 K21 D26 A27 L83 S199 Y200 L268 H269F20-F23 HydrophobicContact CB-CB 4.41Å; F20-F23 HydrophobicContact CB-CD2 4.41Å; F20-F23 HydrophobicContact CD2-CD2 4.36Å; F20-F23 WeakPolarHBondContact O-CB 3.45Å; F20-F23 PolarHBondContact O-N 2.81Å; K21-F23 PolarHBondContact O-N 3.39Å; K21-F23 VanDerWaalsContact O-N 3.09Å; F23-D26 PolarHBondContact O-N 3.44Å; F23-A27 WeakPolarHBondContact O-CB 3.5Å; F23-A27 PolarHBondContact O-N 2.76Å; F23-L83 HydrophobicContact CD1-CD2 4.21Å; F23-L83 HydrophobicContact CD2-CD2 3.99Å; F23-L83 HydrophobicContact CE1-CD2 4Å; F23-L83 HydrophobicContact CE2-CB 3.87Å; F23-L83 HydrophobicContact CE2-CD2 3.77Å; F23-L83 HydrophobicContact CE2-CG 4.27Å; F23-L83 HydrophobicContact CG-CD2 4.21Å; F23-L83 HydrophobicContact CZ-CB 4.17Å; F23-L83 HydrophobicContact CZ-CD1 4.06Å; F23-L83 HydrophobicContact CZ-CD2 3.8Å; F23-L83 HydrophobicContact CZ-CG 4.21Å; F23-S199 VanDerWaalsContact CE2-O 3.3Å; F23-S199 WeakPolarHBondContact CE2-O 3.33Å; F23-S199 WeakPolarHBondContact CZ-OG 3.43Å; F23-Y200 HydrophobicContact CB-CD2 4.48Å; F23-Y200 HydrophobicContact CB-CE2 4.45Å; F23-Y200 AromaticContact CD1-CD2 3.4Å; F23-Y200 HydrophobicContact CD1-CD2 3.4Å; F23-Y200 AromaticContact CD1-CE2 3.85Å; F23-Y200 HydrophobicContact CD1-CE2 3.85Å; F23-Y200 HydrophobicContact CD2-CD2 4.12Å; F23-Y200 AromaticContact CE1-CD2 3.47Å; F23-Y200 HydrophobicContact CE1-CD2 3.47Å; F23-Y200 VanDerWaalsContact CE1-CD2 3.47Å; F23-Y200 HydrophobicContact CE1-CE2 4.31Å; F23-Y200 HydrophobicContact CE1-CG 4.2Å; F23-Y200 HydrophobicContact CE2-CD2 4.18Å; F23-Y200 AromaticContact CG-CD2 3.74Å; F23-Y200 HydrophobicContact CG-CD2 3.74Å; F23-Y200 HydrophobicContact CG-CE2 4.15Å; F23-Y200 AromaticContact CZ-CD2 3.86Å; F23-Y200 HydrophobicContact CZ-CD2 3.86Å; F23-Y200 HydrophobicContact CZ-CG 4.34Å; F23-L268 HydrophobicContact CE1-CD2 4.19Å; F23-L268 HydrophobicContact CE1-CG 4.46Å; F23-L268 HydrophobicContact CZ-CD2 3.87Å; F23-H269 HydrophobicContact CD1-CB 4.12Å; F23-H269 HydrophobicContact CE1-CB 4.35Å
24A98.7Very high97.4Very high31 Ų3157.9 Ų57.926%0.25633%0.33SS..Hα-helixtrans-63.4-43.6179.500000112.1S22 A27 I28 H269S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 3.16Å; S22-A24 VanDerWaalsContact O-N 3.15Å; A24-A27 PolarHBondContact O-N 3.03Å; A24-I28 WeakPolarHBondContact O-CB 3.44Å; A24-I28 WeakPolarHBondContact O-CD1 3.48Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 3.48Å; A24-I28 VanDerWaalsContact O-N 3.1Å; A24-H269 HydrophobicContact CB-CB 4.44Å
25T98.8Very high97.7Very high82 Ų8262.2 Ų62.250%0.50334%0.342SS..Hα-helixtrans-62.5-45.7176.5-54.40000111S22 I28 H29S22-T25 WeakPolarHBondContact O-CA 3.41Å; S22-T25 WeakPolarHBondContact O-CB 3.39Å; S22-T25 PolarHBondContact O-N 3.02Å; T25-I28 PolarHBondContact O-N 3.29Å; T25-I28 VanDerWaalsContact O-N 3.14Å; T25-H29 WeakPolarHBondContact O-CB 3.5Å; T25-H29 PolarHBondContact O-CD2 2.98Å; T25-H29 PolarHBondContact O-N 2.9Å
26D98.6Very high97.9Very high41 Ų4162.5 Ų62.522%0.21933%0.327CS..Hα-helixtrans-63.5-44179.9-68-10.5000111S22 F23 I28 H29 I30 L83S22-D26 WeakPolarHBondContact O-CB 3.43Å; S22-D26 VanDerWaalsContact O-CG 3.31Å; S22-D26 PolarHBondContact O-N 2.8Å; F23-D26 PolarHBondContact O-N 3.44Å; D26-I28 PolarHBondContact O-N 3.36Å; D26-H29 PolarHBondContact O-N 3.11Å; D26-I30 HydrophobicContact CB-CD1 3.72Å; D26-I30 HydrophobicContact CB-CG1 4.37Å; D26-I30 WeakPolarHBondContact O-CB 3.38Å; D26-I30 PolarHBondContact O-N 2.85Å; D26-L83 HydrophobicContact CB-CD2 4.27Å
27A98.7Very high97.9Very high0 Ų063.2 Ų63.20%033%0.329CS..Hα-helixtrans-57.8-37.6174.700000111.8F23 A24 L83 K266F23-A27 WeakPolarHBondContact O-CB 3.5Å; F23-A27 PolarHBondContact O-N 2.76Å; A24-A27 PolarHBondContact O-N 3.03Å; A27-L83 HydrophobicContact CB-CD1 4.25Å; A27-L83 HydrophobicContact CB-CD2 3.76Å; A27-K266 WeakPolarHBondContact O-CD 3.37Å; A27-K266 VanDerWaalsContact O-CE 3.24Å; A27-K266 WeakPolarHBondContact O-CE 3.47Å
28I98.8Very high98Very high70 Ų7064.8 Ų64.836%0.35936%0.356SS..Hα-helixtrans-79.1-39.2-175.6-68.8165.9000112.4A24 T25 D26 Q32 K266A24-I28 WeakPolarHBondContact O-CB 3.44Å; A24-I28 WeakPolarHBondContact O-CD1 3.48Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 3.48Å; A24-I28 VanDerWaalsContact O-N 3.1Å; T25-I28 PolarHBondContact O-N 3.29Å; T25-I28 VanDerWaalsContact O-N 3.14Å; D26-I28 PolarHBondContact O-N 3.36Å; I28-Q32 VanDerWaalsContact O-CG 3.32Å; I28-Q32 WeakPolarHBondContact O-CG 3.36Å; I28-K266 PolarHBondContact O-NZ 3.43Å
29H98.8Very high98.1Very high118 Ų11862.8 Ų62.855%0.54635%0.348SS..Hα-helixtrans-110.4-33.3-164.6-71.5-74.9000115.6T25 D26 G31 Q32T25-H29 WeakPolarHBondContact O-CB 3.5Å; T25-H29 PolarHBondContact O-CD2 2.98Å; T25-H29 PolarHBondContact O-N 2.9Å; D26-H29 PolarHBondContact O-N 3.11Å; H29-G31 PolarHBondContact O-N 3.15Å; H29-Q32 VanDerWaalsContact O-CB 3.3Å; H29-Q32 WeakPolarHBondContact O-CB 3.3Å; H29-Q32 WeakPolarHBondContact O-CG 3.1Å; H29-Q32 PolarHBondContact O-N 2.99Å
30I98.7Very high98.3Very high49 Ų4964.7 Ų64.725%0.25135%0.347SS..THydrogen-bonded Turntrans-67.7129.1-171.4-69.3177.9000110.9D26 Q32 K78 A79 A82D26-I30 HydrophobicContact CB-CD1 3.72Å; D26-I30 HydrophobicContact CB-CG1 4.37Å; D26-I30 WeakPolarHBondContact O-CB 3.38Å; D26-I30 PolarHBondContact O-N 2.85Å; I30-Q32 PolarHBondContact O-N 3.31Å; I30-Q32 PolarHBondContact O-NE2 3.21Å; I30-K78 HydrophobicContact CG2-CB 4.39Å; I30-A79 WeakPolarHBondContact O-CB 3.47Å; I30-A82 HydrophobicContact CB-CB 4.32Å; I30-A82 HydrophobicContact CD1-CB 3.31Å; I30-A82 HydrophobicContact CG1-CB 4.38Å; I30-A82 HydrophobicContact CG2-CB 3.93Å
31G98.3Very high98.3Very high0 Ų064.5 Ų64.50%035%0.352CS..THydrogen-bonded Turntrans76.73.2-176.200000113.6H29 E33 Q36 C75H29-G31 PolarHBondContact O-N 3.15Å; G31-E33 WeakPolarHBondContact CA-OE2 3.39Å; G31-E33 PolarHBondContact N-OE1 2.94Å; G31-E33 PolarHBondContact N-OE2 3.35Å; G31-Q36 PolarHBondContact O-NE2 3.2Å; G31-Q36 VanDerWaalsContact O-NE2 3.08Å; G31-C75 WeakPolarHBondContact O-CB 3.4Å; G31-C75 PolarHBondContact O-SG 3.03Å
32Q98.7Very high98.4Very high13 Ų1361.1 Ų61.16%0.06135%0.346CS..  trans-107.310.6-178.8-41.1-59.9-70.900112.6I28 H29 I30 P34 P44 N262 K266I28-Q32 VanDerWaalsContact O-CG 3.32Å; I28-Q32 WeakPolarHBondContact O-CG 3.36Å; H29-Q32 VanDerWaalsContact O-CB 3.3Å; H29-Q32 WeakPolarHBondContact O-CB 3.3Å; H29-Q32 WeakPolarHBondContact O-CG 3.1Å; H29-Q32 PolarHBondContact O-N 2.99Å; I30-Q32 PolarHBondContact O-N 3.31Å; I30-Q32 PolarHBondContact O-NE2 3.21Å; Q32-P34 WeakPolarHBondContact O-CD 3.44Å; Q32-P44 HydrophobicContact CB-CG 4.36Å; Q32-N262 PolarHBondContact NE2-ND2 3.14Å; Q32-K266 VanDerWaalsContact CD-NZ 3.27Å
33E98.7Very high98.5Very high73 Ų7362.2 Ų62.234%0.34135%0.351SS..  trans-57.9119.9-174.8-59.577.2-164.700110.1G31 E35 Q36G31-E33 WeakPolarHBondContact CA-OE2 3.39Å; G31-E33 PolarHBondContact N-OE1 2.94Å; G31-E33 PolarHBondContact N-OE2 3.35Å; E33-E35 PolarHBondContact O-N 3.2Å; E33-Q36 HydrophobicContact CB-CG 4.29Å; E33-Q36 VanDerWaalsContact N-NE2 3.14Å; E33-Q36 WeakPolarHBondContact O-CB 3.48Å; E33-Q36 WeakPolarHBondContact O-CG 3.22Å; E33-Q36 PolarHBondContact O-N 3.01Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; E33-Q36 PolarHBondContact O-NE2 3.13Å; E33-Q36 PolarHBondContact OE2-NE2 2.97Å
34P98.5Very high98.5Very high35 Ų3562.3 Ų62.323%0.22735%0.352CS..G310 helixtrans-59.3-29.4-177-26.235000113.8Q32 Q36 W37 M40Q32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-Q36 PolarHBondContact O-N 3.05Å; P34-Q36 VanDerWaalsContact O-N 3.12Å; P34-W37 PolarHBondContact O-N 3.31Å; P34-M40 HydrophobicContact CB-CE 4.14Å
35E98.6Very high98.5Very high136 Ų13663.7 Ų63.764%0.63636%0.358SS*.G310 helixtrans-63.2-14.2179.1-64.171.6-158.200113.2E33 W37 M40E33-E35 PolarHBondContact O-N 3.2Å; E35-W37 PolarHBondContact O-N 3.01Å; E35-M40 HydrophobicContact CG-CE 4Å
36Q98Very high98.5Very high68 Ų6862.5 Ų62.532%0.31835%0.348SS..G310 helixtrans-66.1-18.5171.4-68.2174.9101.800112.5G31 E33 P34G31-Q36 PolarHBondContact O-NE2 3.2Å; G31-Q36 VanDerWaalsContact O-NE2 3.08Å; E33-Q36 HydrophobicContact CB-CG 4.29Å; E33-Q36 VanDerWaalsContact N-NE2 3.14Å; E33-Q36 WeakPolarHBondContact O-CB 3.48Å; E33-Q36 WeakPolarHBondContact O-CG 3.22Å; E33-Q36 PolarHBondContact O-N 3.01Å; E33-Q36 VanDerWaalsContact O-N 3.13Å; E33-Q36 PolarHBondContact O-NE2 3.13Å; E33-Q36 PolarHBondContact OE2-NE2 2.97Å; P34-Q36 PolarHBondContact O-N 3.05Å; P34-Q36 VanDerWaalsContact O-N 3.12Å
37W97.8Very high98.5Very high38 Ų3861.8 Ų61.814%0.14435%0.346CS..SBendtrans-122.9136.2-171.6-36.1109.2000111P34 E35 S39 M40 P44 P45 P71P34-W37 PolarHBondContact O-N 3.31Å; E35-W37 PolarHBondContact O-N 3.01Å; W37-S39 PolarHBondContact O-N 3.12Å; W37-S39 VanDerWaalsContact O-N 3.07Å; W37-M40 PolarHBondContact O-N 3.21Å; W37-P44 HydrophobicContact CZ2-CB 3.73Å; W37-P44 HydrophobicContact CZ2-CG 4.24Å; W37-P45 HydrophobicContact CD2-CG 4Å; W37-P45 HydrophobicContact CE3-CG 3.93Å; W37-P45 HydrophobicContact CG-CG 4.49Å; W37-P45 HydrophobicContact CZ3-CG 4.27Å; W37-P71 HydrophobicContact CH2-CB 3.89Å; W37-P71 HydrophobicContact CZ3-CB 3.89Å
38S97.7Very high98.5Very high138 Ų13867 Ų6797%0.96537%0.373SS*.THydrogen-bonded Turntrans-60.1-21.617555.20000113.7
39S98.5Very high98.5Very high85 Ų8566.5 Ų66.559%0.59438%0.376SS*.THydrogen-bonded Turntrans-82.4-8.4175.758.30000114.4W37 A41W37-S39 PolarHBondContact O-N 3.12Å; W37-S39 VanDerWaalsContact O-N 3.07Å; S39-A41 PolarHBondContact O-N 3.12Å
40M98.4Very high98.5Very high101 Ų10165.1 Ų65.150%0.49838%0.376SS..  trans53.935-170.7-60.1-63.3-6600112.9P34 E35 W37 V42P34-M40 HydrophobicContact CB-CE 4.14Å; E35-M40 HydrophobicContact CG-CE 4Å; W37-M40 PolarHBondContact O-N 3.21Å; M40-V42 PolarHBondContact O-N 3.43Å
41A98.6Very high98.5Very high28 Ų2866.7 Ų66.723%0.23139%0.388CS..  trans-64.9125.3-179.400000111S39 V43S39-A41 PolarHBondContact O-N 3.12Å; A41-V43 WeakPolarHBondContact CB-O 3.36Å; A41-V43 PolarHBondContact O-N 2.87Å
42V98.5Very high98.4Very high116 Ų11668.9 Ų68.970%0.70340%0.397SS*.SBendtrans-65.6-29.8178.2177.40000112.3M40M40-V42 PolarHBondContact O-N 3.43Å
43V98.8Very high98.4Very high81 Ų8177.2 Ų77.249%0.49143%0.433SS..SBendtrans-109.8129.1173.7179.30000108A41 Y259A41-V43 WeakPolarHBondContact CB-O 3.36Å; A41-V43 PolarHBondContact O-N 2.87Å; V43-Y259 HydrophobicContact CG1-CE2 3.74Å
44P98.7Very high98.3Very high6 Ų677 Ų774%0.03943%0.432CS..  trans-54134.3177.5-31.138.2000112.9Q32 W37Q32-P44 HydrophobicContact CB-CG 4.36Å; W37-P44 HydrophobicContact CZ2-CB 3.73Å; W37-P44 HydrophobicContact CZ2-CG 4.24Å
45P98.6Very high98.2Very high59 Ų5982 Ų8238%0.38345%0.452SS..  trans-67.7156.4175.529.1-33.8000111.6W37 S47 T72W37-P45 HydrophobicContact CD2-CG 4Å; W37-P45 HydrophobicContact CE3-CG 3.93Å; W37-P45 HydrophobicContact CG-CG 4.49Å; W37-P45 HydrophobicContact CZ3-CG 4.27Å; P45-S47 PolarHBondContact O-N 3.28Å; P45-T72 PolarHBondContact O-OG1 3.3Å
46I98.9Very high98Very high58 Ų5878.2 Ų78.230%0.29744%0.441SS..  trans-86.6102173.6-47.6-179.3000108.7L48 F256 Y259I46-L48 HydrophobicContact CG2-CD2 3.71Å; I46-L48 HydrophobicContact CG2-CG 4.03Å; I46-L48 PolarHBondContact O-N 3.32Å; I46-F256 HydrophobicContact CD1-CD2 3.84Å; I46-F256 HydrophobicContact CD1-CE2 4.02Å; I46-F256 HydrophobicContact CG2-CB 4.49Å; I46-F256 HydrophobicContact CG2-CD2 4.35Å; I46-Y259 HydrophobicContact CD1-CD1 3.6Å; I46-Y259 HydrophobicContact CD1-CD2 4.08Å; I46-Y259 HydrophobicContact CD1-CE1 4.03Å; I46-Y259 HydrophobicContact CD1-CE2 4.46Å; I46-Y259 HydrophobicContact CD1-CG 3.63Å; I46-Y259 HydrophobicContact CG1-CD1 4.13Å; I46-Y259 HydrophobicContact CG1-CD2 3.67Å; I46-Y259 HydrophobicContact CG1-CE2 4.22Å; I46-Y259 HydrophobicContact CG1-CG 3.62Å
47S98.8Very high97.9Very high26 Ų2681.2 Ų81.218%0.18247%0.467CS..  trans-87.490.6178.2174.70000110.6P45 S49 T72P45-S47 PolarHBondContact O-N 3.28Å; S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 2.95Å; S47-T72 PolarHBondContact N-OG1 3.45Å
48L98.6Very high97.6Very high109 Ų10982.6 Ų82.657%0.57149%0.492SS*.  trans-79.7-6.8177.2-60.3178.4000114.1I46 T50 P255 F256I46-L48 HydrophobicContact CG2-CD2 3.71Å; I46-L48 HydrophobicContact CG2-CG 4.03Å; I46-L48 PolarHBondContact O-N 3.32Å; L48-T50 PolarHBondContact O-N 3.07Å; L48-P255 HydrophobicContact CD2-CB 4.3Å; L48-F256 HydrophobicContact CD2-CB 4.27Å
49S98.6Very high97.4Very high59 Ų5979.8 Ų79.841%0.41347%0.467SS..  trans-57.2133.2-178.4-163.60000111.2S47 T51 S66S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 2.95Å; S49-T51 PolarHBondContact OG-O 3.02Å; S49-S66 WeakPolarHBondContact O-CB 3.18Å
50T98.6Very high97.1Very high90 Ų9079.8 Ų79.855%0.55246%0.457SS*.SBendtrans-82.1-31.1179.854.90000112.2L48 Y65 S66L48-T50 PolarHBondContact O-N 3.07Å; T50-Y65 VanDerWaalsContact O-CD2 3.23Å; T50-Y65 WeakPolarHBondContact O-CD2 3.45Å; T50-S66 WeakPolarHBondContact O-CB 3.3Å; T50-S66 PolarHBondContact O-N 3.14Å
51T97.9Very high96.6Very high82 Ų8278.1 Ų78.150%0.50346%0.459SS..BIsolated β-bridgetrans-133.8159.3-179.2-168.70000110.5S49 E64S49-T51 PolarHBondContact OG-O 3.02Å; T51-E64 PolarHBondContact OG1-O 3.04Å
52F98.1Very high96.3Very high45 Ų4579.5 Ų79.520%0.19748%0.476CS..  trans-127.8140.9-177.7-57.3-91.1000110.1Q54 F63 E64 N70 P71F52-Q54 PolarHBondContact O-N 2.9Å; F52-F63 HydrophobicContact CB-CB 4.41Å; F52-F63 HydrophobicContact CD1-CB 4.21Å; F52-F63 HydrophobicContact CD2-CB 3.53Å; F52-F63 HydrophobicContact CE1-CB 4.39Å; F52-F63 HydrophobicContact CE2-CB 3.74Å; F52-F63 HydrophobicContact CE2-CG 4.46Å; F52-F63 HydrophobicContact CG-CB 3.79Å; F52-F63 HydrophobicContact CZ-CB 4.18Å; F52-E64 PolarHBondContact N-O 3.25Å; F52-N70 HydrophobicContact CZ-CB 4.49Å; F52-P71 HydrophobicContact CE1-CG 4.4Å
53K97.6Very high96.2Very high188 Ų18876.7 Ų76.782%0.81745%0.454SS*.  trans-62.9125.3177.9178.9-179.9176.9-176.50109.7
54Q97.3Very high96.1Very high68 Ų6876.7 Ų76.732%0.31845%0.449SS..  trans-84.9152.8168.1-59.7-1727.700110.5F52 S56 H60F52-Q54 PolarHBondContact O-N 2.9Å; Q54-S56 VanDerWaalsContact C-N 3.34Å; Q54-S56 WeakPolarHBondContact CB-O 3.19Å; Q54-S56 PolarHBondContact OE1-O 3.45Å; Q54-H60 HydrophobicContact CG-CB 4.27Å
55H94.9Very high96.1Very high140 Ų14081.6 Ų81.665%0.64847%0.468SS*.SBendtrans-69.8-36.4175.6-67.4-62.4000111.7N59H55-N59 PolarHBondContact N-O 3.44Å
56S95.6Very high96Very high57 Ų5779.6 Ų79.640%0.39946%0.455SS..BIsolated β-bridgetrans-158.2168173.559.80000108Q54 G58 N59Q54-S56 VanDerWaalsContact C-N 3.34Å; Q54-S56 WeakPolarHBondContact CB-O 3.19Å; Q54-S56 PolarHBondContact OE1-O 3.45Å; S56-G58 PolarHBondContact O-N 2.95Å; S56-G58 VanDerWaalsContact O-N 3.17Å; S56-N59 PolarHBondContact O-N 3.17Å; S56-N59 VanDerWaalsContact OG-CB 3.23Å; S56-N59 WeakPolarHBondContact OG-CB 3.29Å
57P95.2Very high96Very high132 Ų13281.2 Ų81.286%0.85746%0.457SS*.THydrogen-bonded Turntrans-52.8123.1178.1-26.735.6000112.3N59P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.34Å
58G91.8Very high96Very high66 Ų6682.1 Ų82.168%0.6846%0.464SS*.THydrogen-bonded Turntrans77.57.5-179.200000115.1S56S56-G58 PolarHBondContact O-N 2.95Å; S56-G58 VanDerWaalsContact O-N 3.17Å
59N94.1Very high95.9Very high80 Ų8077.4 Ų77.443%0.42844%0.441SS..BIsolated β-bridgetrans-119.284.7179.6-175.89000110.2H55 S56 P57H55-N59 PolarHBondContact N-O 3.44Å; S56-N59 PolarHBondContact O-N 3.17Å; S56-N59 VanDerWaalsContact OG-CB 3.23Å; S56-N59 WeakPolarHBondContact OG-CB 3.29Å; P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.34Å
60H92.3Very high95.9Very high85 Ų8574.7 Ų74.739%0.39442%0.422SS..  trans-91.2148.2-174.462.285.9000113.1Q54 G62 E64Q54-H60 HydrophobicContact CG-CB 4.27Å; H60-G62 PolarHBondContact ND1-N 2.95Å; H60-G62 PolarHBondContact O-N 3.49Å; H60-G62 VanDerWaalsContact O-N 3.12Å; H60-E64 HydrophobicContact CB-CG 3.47Å; H60-E64 VanDerWaalsContact CB-CG 3.47Å; H60-E64 IonicContact CD2-OE1 3.03Å; H60-E64 PolarHBondContact CD2-OE1 2.93Å; H60-E64 IonicContact CG-OE1 3.58Å; H60-E64 IonicContact NE2-OE1 3.37Å
61A87.9Confident95.9Very high66 Ų6671.2 Ų71.255%0.54540%0.401SS..SBendtrans-86.940.4178.800000112.5
62G92.3Very high96Very high56 Ų5667.5 Ų67.558%0.57738%0.378SS*.SBendtrans94.3-32.2-17800000116H60H60-G62 PolarHBondContact ND1-N 2.95Å; H60-G62 PolarHBondContact O-N 3.49Å; H60-G62 VanDerWaalsContact O-N 3.12Å
63F96.8Very high96Very high57 Ų5765.4 Ų65.425%0.2537%0.369CS..  trans-121.9148.1172-62.2-77.9000111.4F52 G69 N70 P71F52-F63 HydrophobicContact CB-CB 4.41Å; F52-F63 HydrophobicContact CD1-CB 4.21Å; F52-F63 HydrophobicContact CD2-CB 3.53Å; F52-F63 HydrophobicContact CE1-CB 4.39Å; F52-F63 HydrophobicContact CE2-CB 3.74Å; F52-F63 HydrophobicContact CE2-CG 4.46Å; F52-F63 HydrophobicContact CG-CB 3.79Å; F52-F63 HydrophobicContact CZ-CB 4.18Å; F63-G69 WeakPolarHBondContact CD1-O 3.22Å; F63-N70 VanDerWaalsContact CE1-C 3.43Å; F63-P71 HydrophobicContact CD2-CG 3.93Å; F63-P71 HydrophobicContact CE2-CB 4.18Å; F63-P71 HydrophobicContact CE2-CG 3.6Å; F63-P71 HydrophobicContact CZ-CB 4.27Å; F63-P71 HydrophobicContact CZ-CG 3.99Å
64E95.7Very high96.1Very high81 Ų8158.9 Ų58.938%0.37934%0.343SS..SBendtrans-122.2-55.6178.9-64-173.6151.500111.4T51 F52 H60T51-E64 PolarHBondContact OG1-O 3.04Å; F52-E64 PolarHBondContact N-O 3.25Å; H60-E64 HydrophobicContact CB-CG 3.47Å; H60-E64 VanDerWaalsContact CB-CG 3.47Å; H60-E64 IonicContact CD2-OE1 3.03Å; H60-E64 PolarHBondContact CD2-OE1 2.93Å; H60-E64 IonicContact CG-OE1 3.58Å; H60-E64 IonicContact NE2-OE1 3.37Å
65Y97.9Very high96.2Very high110 Ų11055.8 Ų55.843%0.43133%0.329SS..BIsolated β-bridgetrans-143.8133.8-176-167.5-105.9000110.8T50 R67 S68 G69T50-Y65 VanDerWaalsContact O-CD2 3.23Å; T50-Y65 WeakPolarHBondContact O-CD2 3.45Å; Y65-R67 VanDerWaalsContact C-N 3.29Å; Y65-R67 HydrophobicContact CD1-CB 3.84Å; Y65-R67 HydrophobicContact CE1-CB 3.84Å; Y65-R67 PolarHBondContact O-N 3.36Å; Y65-R67 VanDerWaalsContact O-N 3.16Å; Y65-S68 WeakPolarHBondContact O-CB 3.46Å; Y65-S68 PolarHBondContact O-N 3.36Å; Y65-G69 PolarHBondContact O-N 3.49Å; Y65-G69 VanDerWaalsContact O-N 3.14Å
66S98.3Very high96.4Very high16 Ų1649.1 Ų49.111%0.11230%0.298CS..THydrogen-bonded Turntrans-61-31.4-165.6-174.50000114.7S49 T50 S68 G69 N70S49-S66 WeakPolarHBondContact O-CB 3.18Å; T50-S66 WeakPolarHBondContact O-CB 3.3Å; T50-S66 PolarHBondContact O-N 3.14Å; S66-S68 VanDerWaalsContact C-N 3.35Å; S66-G69 WeakPolarHBondContact CA-O 3.47Å; S66-G69 CarbonylContact O-C 3.49Å; S66-G69 PolarHBondContact O-N 2.92Å; S66-N70 PolarHBondContact O-ND2 2.98Å
67R98.4Very high96.5Very high93 Ų9346.9 Ų46.935%0.35128%0.281SS..THydrogen-bonded Turntrans-62.1-42.6173.7174.5172.549.174.78.8111.6Y65 R73 N247 V252Y65-R67 VanDerWaalsContact C-N 3.29Å; Y65-R67 HydrophobicContact CD1-CB 3.84Å; Y65-R67 HydrophobicContact CE1-CB 3.84Å; Y65-R67 PolarHBondContact O-N 3.36Å; Y65-R67 VanDerWaalsContact O-N 3.16Å; R67-R73 PolarHBondContact O-NH1 3.27Å; R67-N247 PolarHBondContact NH1-O 3.29Å; R67-N247 PolarHBondContact NH1-OD1 2.95Å; R67-V252 HydrophobicContact CB-CG2 4.37Å; R67-V252 HydrophobicContact CG-CG1 4.25Å; R67-V252 HydrophobicContact CG-CG2 4.1Å
68S97.7Very high96.7Very high45 Ų4545.6 Ų45.632%0.31526%0.262SS..THydrogen-bonded Turntrans-71.5-40.3-179.9-48.90000111.5Y65 S66 R73 N247Y65-S68 WeakPolarHBondContact O-CB 3.46Å; Y65-S68 PolarHBondContact O-N 3.36Å; S66-S68 VanDerWaalsContact C-N 3.35Å; S68-R73 PolarHBondContact O-NH2 3.17Å; S68-N247 WeakPolarHBondContact CA-OD1 3.45Å; S68-N247 WeakPolarHBondContact CB-OD1 3.34Å; S68-N247 PolarHBondContact OG-OD1 3.35Å
69G98.1Very high97Very high10 Ų1042.4 Ų42.410%0.10323%0.23CC..  trans-172.4147.2174.100000110.9F63 Y65 S66F63-G69 WeakPolarHBondContact CD1-O 3.22Å; Y65-G69 PolarHBondContact O-N 3.49Å; Y65-G69 VanDerWaalsContact O-N 3.14Å; S66-G69 WeakPolarHBondContact CA-O 3.47Å; S66-G69 CarbonylContact O-C 3.49Å; S66-G69 PolarHBondContact O-N 2.92Å
70N98.7Very high97.3Very high2 Ų238.6 Ų38.61%0.01121%0.209CC..  trans-145.6153.417367.580.6000110.9F52 F63 S66 T72 R73 N74F52-N70 HydrophobicContact CZ-CB 4.49Å; F63-N70 VanDerWaalsContact CE1-C 3.43Å; S66-N70 PolarHBondContact O-ND2 2.98Å; N70-T72 PolarHBondContact O-N 3.18Å; N70-T72 PolarHBondContact OD1-N 3.41Å; N70-R73 WeakPolarHBondContact ND2-CB 3.39Å; N70-R73 PolarHBondContact O-N 3.3Å; N70-R73 WeakPolarHBondContact OD1-CB 3.49Å; N70-R73 PolarHBondContact OD1-N 3.04Å; N70-N74 WeakPolarHBondContact O-CB 3.44Å; N70-N74 PolarHBondContact O-N 3.26Å; N70-N74 PolarHBondContact O-OD1 2.91Å; N70-N74 VanDerWaalsContact O-OD1 3.08Å
71P98.6Very high97.6Very high16 Ų1634.9 Ų34.910%0.10419%0.193CC..Hα-helixtrans-54.1-48.4-174.1-25.931.1000113.9W37 F52 F63 N74 C75W37-P71 HydrophobicContact CH2-CB 3.89Å; W37-P71 HydrophobicContact CZ3-CB 3.89Å; F52-P71 HydrophobicContact CE1-CG 4.4Å; F63-P71 HydrophobicContact CD2-CG 3.93Å; F63-P71 HydrophobicContact CE2-CB 4.18Å; F63-P71 HydrophobicContact CE2-CG 3.6Å; F63-P71 HydrophobicContact CZ-CB 4.27Å; F63-P71 HydrophobicContact CZ-CG 3.99Å; P71-N74 PolarHBondContact O-N 3.1Å; P71-C75 PolarHBondContact O-N 3.24Å; P71-C75 PolarHBondContact O-SG 2.91Å
72T98.9Very high98.1Very high4 Ų432.9 Ų32.93%0.02518%0.176CC..Hα-helixtrans-67.6-41.7-173.8-48.60000112.3P45 S47 N70 C75 L76 P255 C258P45-T72 PolarHBondContact O-OG1 3.3Å; S47-T72 PolarHBondContact N-OG1 3.45Å; N70-T72 PolarHBondContact O-N 3.18Å; N70-T72 PolarHBondContact OD1-N 3.41Å; T72-C75 PolarHBondContact O-N 3.32Å; T72-L76 PolarHBondContact O-N 3.41Å; T72-P255 VanDerWaalsContact CG2-O 3.24Å; T72-P255 WeakPolarHBondContact CG2-O 3.24Å; T72-C258 HydrophobicContact CG2-CB 4.23Å
73R98.9Very high98.4Very high2 Ų230.2 Ų30.21%0.00815%0.149CC..Hα-helixtrans-64.4-43.2174-170.4-178.181.3-158.92111.4R67 S68 N70 C75 L76 E77 A91 P253 C258R67-R73 PolarHBondContact O-NH1 3.27Å; S68-R73 PolarHBondContact O-NH2 3.17Å; N70-R73 WeakPolarHBondContact ND2-CB 3.39Å; N70-R73 PolarHBondContact O-N 3.3Å; N70-R73 WeakPolarHBondContact OD1-CB 3.49Å; N70-R73 PolarHBondContact OD1-N 3.04Å; R73-C75 VanDerWaalsContact C-N 3.3Å; R73-C75 PolarHBondContact O-N 3.38Å; R73-L76 WeakPolarHBondContact O-CB 3.36Å; R73-L76 PolarHBondContact O-N 2.95Å; R73-L76 VanDerWaalsContact O-N 3.12Å; R73-E77 HydrophobicContact CG-CG 4.32Å; R73-E77 IonicContact NE-OE1 2.81Å; R73-E77 PolarHBondContact NE-OE1 3.27Å; R73-E77 VanDerWaalsContact NE-OE1 3.16Å; R73-E77 WeakPolarHBondContact O-CG 3.38Å; R73-E77 PolarHBondContact O-N 2.9Å; R73-A91 HydrophobicContact CG-CB 3.94Å; R73-P253 HydrophobicContact CG-CG 4.25Å; R73-C258 HydrophobicContact CB-CB 4.47Å
74N98.8Very high98.5Very high51 Ų5127.6 Ų27.627%0.27314%0.137SC..Hα-helixtrans-63.7-34.8179.6-75.535.3000112.1N70 P71 K78N70-N74 WeakPolarHBondContact O-CB 3.44Å; N70-N74 PolarHBondContact O-N 3.26Å; N70-N74 PolarHBondContact O-OD1 2.91Å; N70-N74 VanDerWaalsContact O-OD1 3.08Å; P71-N74 PolarHBondContact O-N 3.1Å; N74-K78 VanDerWaalsContact O-CG 3.31Å; N74-K78 WeakPolarHBondContact O-CG 3.39Å; N74-K78 PolarHBondContact O-N 3.22Å
75C98.9Very high98.7Very high2 Ų225.8 Ų25.81%0.01414%0.141CC..Hα-helixtrans-62.3-42.8171.9-68.80000112.4G31 P71 T72 R73 A79G31-C75 WeakPolarHBondContact O-CB 3.4Å; G31-C75 PolarHBondContact O-SG 3.03Å; P71-C75 PolarHBondContact O-N 3.24Å; P71-C75 PolarHBondContact O-SG 2.91Å; T72-C75 PolarHBondContact O-N 3.32Å; R73-C75 VanDerWaalsContact C-N 3.3Å; R73-C75 PolarHBondContact O-N 3.38Å; C75-A79 PolarHBondContact O-N 3.22Å; C75-A79 VanDerWaalsContact O-N 3.17Å
76L98.9Very high98.7Very high0 Ų021.3 Ų21.30%013%0.127CC..Hα-helixtrans-64.1-48.6175.4171.864.7000111.3T72 R73 K78 A79 V80 A91 M228 L230 C258 C261 N262 L265T72-L76 PolarHBondContact O-N 3.41Å; R73-L76 WeakPolarHBondContact O-CB 3.36Å; R73-L76 PolarHBondContact O-N 2.95Å; R73-L76 VanDerWaalsContact O-N 3.12Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.24Å; L76-A79 PolarHBondContact O-N 2.93Å; L76-A79 VanDerWaalsContact O-N 3.16Å; L76-V80 HydrophobicContact CD1-CG2 3.77Å; L76-V80 HydrophobicContact CG-CG2 4.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.31Å; L76-V80 PolarHBondContact O-N 2.92Å; L76-A91 HydrophobicContact CD2-CB 4.42Å; L76-M228 HydrophobicContact CD2-CE 4.19Å; L76-M228 HydrophobicContact CD2-SD 3.45Å; L76-M228 WeakPolarHBondContact CD2-SD 3.41Å; L76-L230 HydrophobicContact CD2-CD2 4.28Å; L76-L230 HydrophobicContact CG-CD2 4.48Å; L76-C258 HydrophobicContact CB-CB 4.43Å; L76-C258 HydrophobicContact CD2-CB 4Å; L76-C261 HydrophobicContact CD1-CB 4.44Å; L76-C261 HydrophobicContact CD2-CB 4.19Å; L76-N262 HydrophobicContact CB-CB 4.34Å; L76-N262 HydrophobicContact CD1-CB 3.93Å; L76-N262 PolarHBondContact N-ND2 2.88Å; L76-L265 HydrophobicContact CD1-CD1 3.51Å; L76-L265 HydrophobicContact CD1-CG 4.47Å
77E98.9Very high98.7Very high10 Ų1026.6 Ų26.65%0.04715%0.147CC..Hα-helixtrans-57.7-43.9179.4-73.3173.3170.600111.1R73 A79 V80 A81 C89 L90 A91 Q246R73-E77 HydrophobicContact CG-CG 4.32Å; R73-E77 IonicContact NE-OE1 2.81Å; R73-E77 PolarHBondContact NE-OE1 3.27Å; R73-E77 VanDerWaalsContact NE-OE1 3.16Å; R73-E77 WeakPolarHBondContact O-CG 3.38Å; R73-E77 PolarHBondContact O-N 2.9Å; E77-A79 PolarHBondContact O-N 3.47Å; E77-V80 PolarHBondContact O-N 3.12Å; E77-A81 VanDerWaalsContact O-CB 3.32Å; E77-A81 WeakPolarHBondContact O-CB 3.47Å; E77-A81 PolarHBondContact O-N 3.34Å; E77-C89 HydrophobicContact CB-CB 4.29Å; E77-C89 WeakPolarHBondContact CB-O 3.45Å; E77-C89 WeakPolarHBondContact CG-O 3.33Å; E77-C89 VanDerWaalsContact O-CB 3.23Å; E77-C89 WeakPolarHBondContact O-CB 3.3Å; E77-L90 WeakPolarHBondContact OE1-CA 3.37Å; E77-A91 HydrophobicContact CG-CB 4.01Å; E77-A91 PolarHBondContact OE1-N 3Å; E77-Q246 PolarHBondContact OE1-NE2 3.39Å
78K98.9Very high98.7Very high105 Ų10524 Ų2446%0.45714%0.14SC..Hα-helixtrans-59.7-46.3174.5-74.2175.4-176.91800112.8I30 N74 L76 A82I30-K78 HydrophobicContact CG2-CB 4.39Å; N74-K78 VanDerWaalsContact O-CG 3.31Å; N74-K78 WeakPolarHBondContact O-CG 3.39Å; N74-K78 PolarHBondContact O-N 3.22Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.24Å; K78-A82 PolarHBondContact O-N 3.2Å
79A98.9Very high98.8Very high0 Ų022.1 Ų22.10%013%0.126CC..Hα-helixtrans-60.7-51.518000000110.8I30 C75 L76 E77 A81 A82 L83 L265I30-A79 WeakPolarHBondContact O-CB 3.47Å; C75-A79 PolarHBondContact O-N 3.22Å; C75-A79 VanDerWaalsContact O-N 3.17Å; L76-A79 PolarHBondContact O-N 2.93Å; L76-A79 VanDerWaalsContact O-N 3.16Å; E77-A79 PolarHBondContact O-N 3.47Å; A79-A81 PolarHBondContact O-N 3.32Å; A79-A82 PolarHBondContact O-N 3.32Å; A79-L83 WeakPolarHBondContact O-CG 3.28Å; A79-L83 PolarHBondContact O-N 2.84Å; A79-L265 HydrophobicContact CB-CD1 4.37Å
80V98.9Very high98.8Very high0 Ų021.6 Ų21.60%012%0.121CC..Hα-helixtrans-62.4-43-178.9176.30000111.5L76 E77 A82 L83 D84 C89 M220 L230 L265L76-V80 HydrophobicContact CD1-CG2 3.77Å; L76-V80 HydrophobicContact CG-CG2 4.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.31Å; L76-V80 PolarHBondContact O-N 2.92Å; E77-V80 PolarHBondContact O-N 3.12Å; V80-A82 VanDerWaalsContact C-N 3.28Å; V80-A82 PolarHBondContact O-N 3.32Å; V80-L83 PolarHBondContact O-N 2.8Å; V80-D84 PolarHBondContact O-N 3.05Å; V80-C89 HydrophobicContact CB-CB 4.32Å; V80-C89 HydrophobicContact CG1-CB 4.37Å; V80-C89 VanDerWaalsContact CG1-SG 3.55Å; V80-M220 HydrophobicContact CG1-CE 4.13Å; V80-M220 HydrophobicContact CG2-CE 4.41Å; V80-L230 HydrophobicContact CB-CD1 4.49Å; V80-L230 HydrophobicContact CG1-CB 4.36Å; V80-L230 HydrophobicContact CG1-CD1 3.95Å; V80-L230 HydrophobicContact CG2-CD1 3.74Å; V80-L230 HydrophobicContact CG2-CD2 4.18Å; V80-L265 HydrophobicContact CG2-CD1 3.61Å
81A98.9Very high98.9Very high6 Ų621.5 Ų21.55%0.0512%0.12CC..Hα-helixtrans-54.8-46.2176.600000111.1E77 A79 L83 D84 G85 A86 C89E77-A81 VanDerWaalsContact O-CB 3.32Å; E77-A81 WeakPolarHBondContact O-CB 3.47Å; E77-A81 PolarHBondContact O-N 3.34Å; A79-A81 PolarHBondContact O-N 3.32Å; A81-L83 PolarHBondContact O-N 2.93Å; A81-D84 PolarHBondContact O-N 3Å; A81-G85 PolarHBondContact O-N 2.83Å; A81-G85 VanDerWaalsContact O-N 3.16Å; A81-A86 CarbonylContact C-O 3.6Å; A81-A86 HydrophobicContact CB-CB 4.35Å; A81-A86 WeakPolarHBondContact O-CA 3.3Å; A81-A86 WeakPolarHBondContact O-CB 3.42Å; A81-A86 PolarHBondContact O-N 2.5Å; A81-C89 HydrophobicContact CB-CB 3.86Å
82A98.8Very high98.9Very high24 Ų2420.8 Ų20.820%0.19812%0.116CC..Hα-helixtrans-64.8-39.2176.900000113.3I30 K78 A79 V80 D84 G85 R203I30-A82 HydrophobicContact CB-CB 4.32Å; I30-A82 HydrophobicContact CD1-CB 3.31Å; I30-A82 HydrophobicContact CG1-CB 4.38Å; I30-A82 HydrophobicContact CG2-CB 3.93Å; K78-A82 PolarHBondContact O-N 3.2Å; A79-A82 PolarHBondContact O-N 3.32Å; V80-A82 VanDerWaalsContact C-N 3.28Å; V80-A82 PolarHBondContact O-N 3.32Å; A82-D84 VanDerWaalsContact C-N 3.26Å; A82-D84 PolarHBondContact O-N 3.27Å; A82-G85 PolarHBondContact O-N 2.58Å; A82-R203 PolarHBondContact O-NH2 3.17Å
83L98.9Very high98.9Very high0 Ų022.5 Ų22.50%013%0.13CC..Hα-helixtrans-62.5-33.8177-63.5-174.8000112.7F23 D26 A27 A79 V80 A81 G85 S199 R203 L265 L268F23-L83 HydrophobicContact CD1-CD2 4.21Å; F23-L83 HydrophobicContact CD2-CD2 3.99Å; F23-L83 HydrophobicContact CE1-CD2 4Å; F23-L83 HydrophobicContact CE2-CB 3.87Å; F23-L83 HydrophobicContact CE2-CD2 3.77Å; F23-L83 HydrophobicContact CE2-CG 4.27Å; F23-L83 HydrophobicContact CG-CD2 4.21Å; F23-L83 HydrophobicContact CZ-CB 4.17Å; F23-L83 HydrophobicContact CZ-CD1 4.06Å; F23-L83 HydrophobicContact CZ-CD2 3.8Å; F23-L83 HydrophobicContact CZ-CG 4.21Å; D26-L83 HydrophobicContact CB-CD2 4.27Å; A27-L83 HydrophobicContact CB-CD1 4.25Å; A27-L83 HydrophobicContact CB-CD2 3.76Å; A79-L83 WeakPolarHBondContact O-CG 3.28Å; A79-L83 PolarHBondContact O-N 2.84Å; V80-L83 PolarHBondContact O-N 2.8Å; A81-L83 PolarHBondContact O-N 2.93Å; L83-G85 VanDerWaalsContact C-N 3.33Å; L83-S199 WeakPolarHBondContact CB-OG 3.29Å; L83-R203 PolarHBondContact O-NE 3.16Å; L83-R203 PolarHBondContact O-NH2 3.02Å; L83-L265 HydrophobicContact CD1-CD1 4.39Å; L83-L265 HydrophobicContact CD1-CD2 4.2Å; L83-L268 HydrophobicContact CD1-CD2 4.4Å
84D98.8Very high98.9Very high2 Ų223.9 Ų23.91%0.01114%0.14CC..Hα-helixtrans-80.3-11174.2-76.7-47000114.2V80 A81 A82 A86 S199 L205 Y214 S232V80-D84 PolarHBondContact O-N 3.05Å; A81-D84 PolarHBondContact O-N 3Å; A82-D84 VanDerWaalsContact C-N 3.26Å; A82-D84 PolarHBondContact O-N 3.27Å; D84-A86 HydrophobicContact CB-CB 4.01Å; D84-S199 WeakPolarHBondContact OD1-CB 3.34Å; D84-L205 HydrophobicContact CB-CD1 4.43Å; D84-Y214 PolarHBondContact OD1-OH 2.86Å; D84-Y214 WeakPolarHBondContact OD2-CE2 3.42Å; D84-S232 WeakPolarHBondContact OD2-CB 3.39Å; D84-S232 PolarHBondContact OD2-OG 2.77Å
85G98.6Very high98.9Very high44 Ų4421.8 Ų21.845%0.45413%0.131SC..THydrogen-bonded Turntrans65.131.9-165.900000112.1A81 A82 L83A81-G85 PolarHBondContact O-N 2.83Å; A81-G85 VanDerWaalsContact O-N 3.16Å; A82-G85 PolarHBondContact O-N 2.58Å; L83-G85 VanDerWaalsContact C-N 3.33Å
86A98.8Very high98.9Very high16 Ų1624.3 Ų24.313%0.13214%0.144CC..  trans-98.2156.4-179.800000111.8A81 D84 L205 N234A81-A86 CarbonylContact C-O 3.6Å; A81-A86 HydrophobicContact CB-CB 4.35Å; A81-A86 WeakPolarHBondContact O-CA 3.3Å; A81-A86 WeakPolarHBondContact O-CB 3.42Å; A81-A86 PolarHBondContact O-N 2.5Å; D84-A86 HydrophobicContact CB-CB 4.01Å; A86-L205 HydrophobicContact CB-CD1 3.45Å; A86-L205 VanDerWaalsContact CB-CD1 3.45Å; A86-N234 VanDerWaalsContact CA-OD1 3.24Å; A86-N234 WeakPolarHBondContact CA-OD1 3.36Å
87K98.8Very high98.9Very high126 Ų12625.2 Ų25.255%0.54815%0.152SC..SBendtrans-75.9-38167.7-66.7-173.9-171.2168.10112.1L233 N234 D236K87-L233 PolarHBondContact N-O 3.29Å; K87-N234 WeakPolarHBondContact CD-O 3.32Å; K87-N234 PolarHBondContact N-OD1 3.24Å; K87-N234 PolarHBondContact NZ-O 2.99Å; K87-D236 IonicContact NZ-OD1 3.99Å; K87-D236 IonicContact NZ-OD2 3.28Å; K87-D236 PolarHBondContact NZ-OD2 3.35Å
88H98.9Very high98.9Very high40 Ų4024.8 Ų24.819%0.18515%0.149CC..EExtended strand (participates in β ladder)trans-131150.5-172.2-53.5-69.9000111S232 L233 D236 N239H88-S232 VanDerWaalsContact O-CA 3.3Å; H88-S232 WeakPolarHBondContact O-CA 3.39Å; H88-L233 HydrophobicContact CB-CD2 3.92Å; H88-L233 HydrophobicContact CB-CG 4.41Å; H88-L233 PolarHBondContact N-O 3.46Å; H88-L233 PolarHBondContact O-N 2.9Å; H88-D236 IonicContact CD2-OD1 2.9Å; H88-D236 IonicContact CE1-OD1 3.91Å; H88-D236 IonicContact NE2-OD1 2.66Å; H88-D236 PolarHBondContact NE2-OD1 2.93Å; H88-N239 HydrophobicContact CB-CB 4.29Å; H88-N239 WeakPolarHBondContact CB-OD1 3.13Å; H88-N239 VanDerWaalsContact CG-CG 3.47Å
89C98.9Very high98.9Very high4 Ų419.8 Ų19.83%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-138151163.3177.40000109.4E77 V80 A81 V231 R243E77-C89 HydrophobicContact CB-CB 4.29Å; E77-C89 WeakPolarHBondContact CB-O 3.45Å; E77-C89 WeakPolarHBondContact CG-O 3.33Å; E77-C89 VanDerWaalsContact O-CB 3.23Å; E77-C89 WeakPolarHBondContact O-CB 3.3Å; V80-C89 HydrophobicContact CB-CB 4.32Å; V80-C89 HydrophobicContact CG1-CB 4.37Å; V80-C89 VanDerWaalsContact CG1-SG 3.55Å; A81-C89 HydrophobicContact CB-CB 3.86Å; C89-V231 CarbonylContact C-O 3.57Å; C89-V231 WeakPolarHBondContact CA-O 3.47Å; C89-R243 PolarHBondContact O-NH1 3Å
90L98.9Very high98.9Very high0 Ų020.8 Ų20.80%014%0.136CC..EExtended strand (participates in β ladder)trans-127.3131.7172.3-56.6102.9000109.4E77 F92 L230 V231 L233 L242 R243 Q246E77-L90 WeakPolarHBondContact OE1-CA 3.37Å; L90-F92 HydrophobicContact CB-CE2 3.61Å; L90-F92 HydrophobicContact CB-CZ 3.86Å; L90-F92 WeakPolarHBondContact O-CD2 3.23Å; L90-F92 WeakPolarHBondContact O-CE2 3.49Å; L90-L230 WeakPolarHBondContact O-CA 3.49Å; L90-V231 PolarHBondContact N-O 3.44Å; L90-V231 PolarHBondContact O-N 2.91Å; L90-L233 HydrophobicContact CD1-CD2 3.5Å; L90-L233 VanDerWaalsContact CD1-CD2 3.5Å; L90-L242 HydrophobicContact CD1-CB 4.07Å; L90-L242 HydrophobicContact CD1-CD1 4.49Å; L90-L242 HydrophobicContact CD2-CB 4.16Å; L90-R243 VanDerWaalsContact CD2-CA 3.49Å; L90-R243 HydrophobicContact CD2-CB 4.02Å; L90-Q246 HydrophobicContact CD2-CB 4.13Å
91A98.9Very high98.9Very high0 Ų020.9 Ų20.90%014%0.137CC..EExtended strand (participates in β ladder)trans-99.3144.3176.800000112R73 L76 E77 G229 L230 Q246 P253R73-A91 HydrophobicContact CG-CB 3.94Å; L76-A91 HydrophobicContact CD2-CB 4.42Å; E77-A91 HydrophobicContact CG-CB 4.01Å; E77-A91 PolarHBondContact OE1-N 3Å; A91-G229 CarbonylContact C-O 3.51Å; A91-G229 WeakPolarHBondContact CA-O 3.32Å; A91-L230 HydrophobicContact CB-CD2 3.83Å; A91-Q246 PolarHBondContact O-NE2 3.41Å; A91-P253 HydrophobicContact CB-CG 3.81Å; A91-P253 VanDerWaalsContact O-CD 3.25Å; A91-P253 WeakPolarHBondContact O-CD 3.48Å
92F98.9Very high98.8Very high0 Ų020.6 Ų20.60%013%0.134CC..EExtended strand (participates in β ladder)trans-133158.7-173.9-64.2-83.6000111.8L90 S94 A97 A98 T101 M228 G229 V231 Q246 G251L90-F92 HydrophobicContact CB-CE2 3.61Å; L90-F92 HydrophobicContact CB-CZ 3.86Å; L90-F92 WeakPolarHBondContact O-CD2 3.23Å; L90-F92 WeakPolarHBondContact O-CE2 3.49Å; F92-S94 PolarHBondContact O-N 3.5Å; F92-S94 VanDerWaalsContact O-N 3.13Å; F92-A97 HydrophobicContact CB-CB 4.21Å; F92-A98 HydrophobicContact CB-CB 4.07Å; F92-A98 HydrophobicContact CD2-CB 3.6Å; F92-A98 HydrophobicContact CE2-CB 4.27Å; F92-A98 HydrophobicContact CG-CB 3.91Å; F92-T101 HydrophobicContact CE1-CG2 3.58Å; F92-T101 HydrophobicContact CZ-CG2 3.82Å; F92-M228 WeakPolarHBondContact O-CA 3.35Å; F92-M228 WeakPolarHBondContact O-CG 3.25Å; F92-G229 PolarHBondContact N-O 3Å; F92-G229 PolarHBondContact O-N 3.22Å; F92-V231 HydrophobicContact CD2-CG2 3.82Å; F92-V231 HydrophobicContact CE2-CB 3.86Å; F92-V231 HydrophobicContact CE2-CG2 3.42Å; F92-V231 VanDerWaalsContact CE2-CG2 3.42Å; F92-V231 HydrophobicContact CZ-CG2 4.45Å; F92-Q246 HydrophobicContact CD1-CG 4.46Å; F92-Q246 HydrophobicContact CE1-CB 3.9Å; F92-Q246 HydrophobicContact CE1-CG 3.88Å; F92-Q246 HydrophobicContact CZ-CB 4.22Å; F92-Q246 HydrophobicContact CZ-CG 4.31Å; F92-G251 CarbonylContact C-O 3.56Å; F92-G251 VanDerWaalsContact CA-O 3.31Å; F92-G251 WeakPolarHBondContact CA-O 3.32Å
93A98.9Very high98.8Very high41 Ų4119.5 Ų19.534%0.33913%0.125SC..SBendtrans-61.5-20.9-179.100000114.2A97 V227 G251A93-A97 HydrophobicContact CB-CB 4.38Å; A93-V227 CarbonylContact O-C 3.58Å; A93-V227 VanDerWaalsContact O-O 3.06Å; A93-G251 PolarHBondContact N-O 3.45Å
94S98.9Very high98.8Very high31 Ų3123.6 Ų23.622%0.21714%0.144CC..SBendtrans-164.1167174.265.40000110.3F92 L96 A97 A98 G229F92-S94 PolarHBondContact O-N 3.5Å; F92-S94 VanDerWaalsContact O-N 3.13Å; S94-L96 VanDerWaalsContact C-N 3.26Å; S94-L96 PolarHBondContact O-N 2.87Å; S94-L96 PolarHBondContact OG-N 3.39Å; S94-A97 WeakPolarHBondContact O-CB 3.49Å; S94-A97 PolarHBondContact O-N 3.47Å; S94-A97 VanDerWaalsContact O-N 3.16Å; S94-A97 WeakPolarHBondContact OG-CB 3.19Å; S94-A97 PolarHBondContact OG-N 3.07Å; S94-A98 PolarHBondContact O-N 3.06Å; S94-G229 VanDerWaalsContact C-CA 3.42Å; S94-G229 WeakPolarHBondContact O-CA 2.9Å; S94-G229 PolarHBondContact O-N 2.84Å
95G98.8Very high98.8Very high7 Ų724.4 Ų24.47%0.07215%0.148CC..Hα-helixtrans-54.9-43.816900000111.8A97 A98 T99 M213 M228G95-A97 VanDerWaalsContact C-N 3.33Å; G95-A97 PolarHBondContact O-N 3.31Å; G95-A98 WeakPolarHBondContact O-CA 3.22Å; G95-A98 WeakPolarHBondContact O-CB 3.44Å; G95-A98 PolarHBondContact O-N 3.45Å; G95-A98 VanDerWaalsContact O-N 3.1Å; G95-T99 PolarHBondContact O-N 2.95Å; G95-T99 PolarHBondContact O-OG1 2.95Å; G95-M213 VanDerWaalsContact C-CE 3.45Å; G95-M213 WeakPolarHBondContact O-CE 3.42Å; G95-M228 PolarHBondContact N-O 3.16Å
96L98.8Very high98.7Very high54 Ų5423.5 Ų23.528%0.28313%0.133SC..Hα-helixtrans-67.6-30.6177.7-70.4177.4000113.5S94 A98 T99 A100 Y119S94-L96 VanDerWaalsContact C-N 3.26Å; S94-L96 PolarHBondContact O-N 2.87Å; S94-L96 PolarHBondContact OG-N 3.39Å; L96-A98 VanDerWaalsContact C-N 3.34Å; L96-T99 PolarHBondContact O-N 3.44Å; L96-A100 VanDerWaalsContact O-CB 3.32Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.49Å; L96-Y119 HydrophobicContact CD1-CE1 4.39Å; L96-Y119 HydrophobicContact CD2-CD1 4.47Å; L96-Y119 HydrophobicContact CD2-CE1 4.08Å; L96-Y119 HydrophobicContact CG-CE1 4.31Å
97A98.9Very high98.7Very high20 Ų2030 Ų3017%0.16516%0.158CC..Hα-helixtrans-65.7-39.5171.300000111F92 A93 S94 G95 A100 T101F92-A97 HydrophobicContact CB-CB 4.21Å; A93-A97 HydrophobicContact CB-CB 4.38Å; S94-A97 WeakPolarHBondContact O-CB 3.49Å; S94-A97 PolarHBondContact O-N 3.47Å; S94-A97 VanDerWaalsContact O-N 3.16Å; S94-A97 WeakPolarHBondContact OG-CB 3.19Å; S94-A97 PolarHBondContact OG-N 3.07Å; G95-A97 VanDerWaalsContact C-N 3.33Å; G95-A97 PolarHBondContact O-N 3.31Å; A97-A100 PolarHBondContact O-N 2.78Å; A97-T101 WeakPolarHBondContact O-CB 3.2Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 PolarHBondContact O-OG1 3.43Å
98A98.9Very high98.7Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-62.2-48.3171.900000111.9F92 S94 G95 L96 A100 T101 I102 M213 V231F92-A98 HydrophobicContact CB-CB 4.07Å; F92-A98 HydrophobicContact CD2-CB 3.6Å; F92-A98 HydrophobicContact CE2-CB 4.27Å; F92-A98 HydrophobicContact CG-CB 3.91Å; S94-A98 PolarHBondContact O-N 3.06Å; G95-A98 WeakPolarHBondContact O-CA 3.22Å; G95-A98 WeakPolarHBondContact O-CB 3.44Å; G95-A98 PolarHBondContact O-N 3.45Å; G95-A98 VanDerWaalsContact O-N 3.1Å; L96-A98 VanDerWaalsContact C-N 3.34Å; A98-A100 VanDerWaalsContact C-N 3.32Å; A98-A100 PolarHBondContact O-N 3.49Å; A98-T101 PolarHBondContact O-N 2.94Å; A98-I102 VanDerWaalsContact O-CG1 3.32Å; A98-I102 WeakPolarHBondContact O-CG1 3.11Å; A98-I102 PolarHBondContact O-N 3.1Å; A98-M213 HydrophobicContact CB-CE 3.89Å; A98-M213 HydrophobicContact CB-CG 4.33Å; A98-V231 HydrophobicContact CB-CG2 3.64Å
99T98.9Very high98.6Very high1 Ų132.6 Ų32.61%0.00618%0.181CC..Hα-helixtrans-55.6-46.8174.8-56.50000111.6G95 L96 I102 T103 Y125 F126 W160 M213G95-T99 PolarHBondContact O-N 2.95Å; G95-T99 PolarHBondContact O-OG1 2.95Å; L96-T99 PolarHBondContact O-N 3.44Å; T99-I102 PolarHBondContact O-N 3.47Å; T99-T103 WeakPolarHBondContact O-CB 3.49Å; T99-T103 PolarHBondContact O-N 3.48Å; T99-T103 PolarHBondContact O-OG1 3.36Å; T99-Y125 HydrophobicContact CG2-CD1 3.88Å; T99-Y125 HydrophobicContact CG2-CE1 4.2Å; T99-F126 HydrophobicContact CG2-CZ 4.1Å; T99-W160 HydrophobicContact CG2-CH2 3.64Å; T99-W160 HydrophobicContact CG2-CZ2 4.09Å; T99-W160 HydrophobicContact CG2-CZ3 3.88Å; T99-W160 VanDerWaalsContact OG1-CH2 3.29Å; T99-W160 WeakPolarHBondContact OG1-CH2 3.37Å; T99-M213 WeakPolarHBondContact OG1-CE 3.13Å
100A98.8Very high98.6Very high21 Ų2133.3 Ų33.317%0.17419%0.185CC..Hα-helixtrans-62.9-47.3178.300000111.2L96 A97 A98 I102 T103 H104 Y125L96-A100 VanDerWaalsContact O-CB 3.32Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.49Å; A97-A100 PolarHBondContact O-N 2.78Å; A98-A100 VanDerWaalsContact C-N 3.32Å; A98-A100 PolarHBondContact O-N 3.49Å; A100-I102 PolarHBondContact O-N 3.28Å; A100-T103 WeakPolarHBondContact O-CB 3.32Å; A100-T103 PolarHBondContact O-N 3.16Å; A100-T103 VanDerWaalsContact O-N 3.13Å; A100-H104 PolarHBondContact O-N 3.38Å; A100-H104 PolarHBondContact O-ND1 2.88Å; A100-Y125 HydrophobicContact CB-CE2 3.9Å
101T98.9Very high98.5Very high2 Ų233.5 Ų33.51%0.01219%0.187CC..Hα-helixtrans-61.9-41.7178.4-67.60000112.6F92 A97 A98 T103 H104 L242 L245 I249F92-T101 HydrophobicContact CE1-CG2 3.58Å; F92-T101 HydrophobicContact CZ-CG2 3.82Å; A97-T101 WeakPolarHBondContact O-CB 3.2Å; A97-T101 PolarHBondContact O-N 3.39Å; A97-T101 PolarHBondContact O-OG1 3.43Å; A98-T101 PolarHBondContact O-N 2.94Å; T101-T103 VanDerWaalsContact C-N 3.27Å; T101-T103 PolarHBondContact O-N 3.23Å; T101-H104 PolarHBondContact O-N 3Å; T101-L242 HydrophobicContact CG2-CD2 4.07Å; T101-L245 HydrophobicContact CG2-CB 3.67Å; T101-L245 HydrophobicContact CG2-CD1 4.5Å; T101-L245 WeakPolarHBondContact O-CD1 3.35Å; T101-I249 HydrophobicContact CG2-CD1 4.37Å
102I98.8Very high98.5Very high0 Ų033.6 Ų33.60%019%0.187CC..Hα-helixtrans-57.5-44.6173.2-71.5165.4000110.4A98 T99 A100 H104 M105 L158 W160 V191 I211 M213 V231 L242A98-I102 VanDerWaalsContact O-CG1 3.32Å; A98-I102 WeakPolarHBondContact O-CG1 3.11Å; A98-I102 PolarHBondContact O-N 3.1Å; T99-I102 PolarHBondContact O-N 3.47Å; A100-I102 PolarHBondContact O-N 3.28Å; I102-H104 VanDerWaalsContact C-N 3.32Å; I102-H104 PolarHBondContact O-N 3.42Å; I102-M105 HydrophobicContact CB-CE 4.3Å; I102-M105 HydrophobicContact CG2-CE 3.77Å; I102-M105 VanDerWaalsContact O-CB 3.25Å; I102-M105 WeakPolarHBondContact O-CB 3.49Å; I102-M105 VanDerWaalsContact O-CE 3.24Å; I102-M105 WeakPolarHBondContact O-CE 3.45Å; I102-M105 VanDerWaalsContact O-CG 3.29Å; I102-M105 WeakPolarHBondContact O-CG 3.24Å; I102-M105 PolarHBondContact O-N 3.17Å; I102-M105 VanDerWaalsContact O-N 3.17Å; I102-L158 HydrophobicContact CG2-CD1 4.16Å; I102-L158 HydrophobicContact CG2-CD2 4.47Å; I102-W160 HydrophobicContact CB-CZ3 4.32Å; I102-W160 HydrophobicContact CD1-CH2 4.15Å; I102-W160 HydrophobicContact CD1-CZ3 3.99Å; I102-W160 HydrophobicContact CG2-CZ3 4.01Å; I102-V191 HydrophobicContact CD1-CG1 4.31Å; I102-V191 HydrophobicContact CG2-CG2 3.87Å; I102-I211 HydrophobicContact CD1-CG2 4.06Å; I102-I211 HydrophobicContact CG1-CD1 4.37Å; I102-I211 HydrophobicContact CG2-CD1 4.41Å; I102-M213 HydrophobicContact CD1-CB 4.27Å; I102-M213 HydrophobicContact CD1-CG 4.07Å; I102-V231 HydrophobicContact CD1-CG1 4.19Å; I102-V231 HydrophobicContact CD1-CG2 3.92Å; I102-V231 HydrophobicContact CG1-CG1 4.41Å; I102-V231 HydrophobicContact CG1-CG2 4.39Å; I102-L242 HydrophobicContact CG1-CD2 4.23Å
103T98.8Very high98.5Very high1 Ų133.6 Ų33.61%0.00619%0.187CC..Hα-helixtrans-67.9-31-179-54.20000112.6T99 A100 T101 M105 L106 I112 Y125 F126 A130 L135T99-T103 WeakPolarHBondContact O-CB 3.49Å; T99-T103 PolarHBondContact O-N 3.48Å; T99-T103 PolarHBondContact O-OG1 3.36Å; A100-T103 WeakPolarHBondContact O-CB 3.32Å; A100-T103 PolarHBondContact O-N 3.16Å; A100-T103 VanDerWaalsContact O-N 3.13Å; T101-T103 VanDerWaalsContact C-N 3.27Å; T101-T103 PolarHBondContact O-N 3.23Å; T103-M105 PolarHBondContact O-N 3.48Å; T103-M105 VanDerWaalsContact O-N 3.13Å; T103-L106 VanDerWaalsContact O-CB 3.27Å; T103-L106 WeakPolarHBondContact O-CB 3.19Å; T103-L106 WeakPolarHBondContact O-CG 3.39Å; T103-L106 PolarHBondContact O-N 3Å; T103-I112 HydrophobicContact CG2-CD1 4.11Å; T103-Y125 VanDerWaalsContact CB-OH 3.29Å; T103-Y125 WeakPolarHBondContact CB-OH 3.4Å; T103-Y125 HydrophobicContact CG2-CE1 3.89Å; T103-Y125 WeakPolarHBondContact CG2-OH 3.47Å; T103-Y125 WeakPolarHBondContact OG1-CE1 3.48Å; T103-F126 HydrophobicContact CG2-CE1 4.36Å; T103-F126 WeakPolarHBondContact OG1-CE1 3.36Å; T103-A130 HydrophobicContact CG2-CB 4.28Å; T103-L135 HydrophobicContact CG2-CD1 3.54Å
104H98.5Very high98.5Very high86 Ų8631.6 Ų31.640%0.39817%0.171SC..THydrogen-bonded Turntrans-69.2-4.3175.4-77.476.9000113.9A100 T101 I102 L245 I249A100-H104 PolarHBondContact O-N 3.38Å; A100-H104 PolarHBondContact O-ND1 2.88Å; T101-H104 PolarHBondContact O-N 3Å; I102-H104 VanDerWaalsContact C-N 3.32Å; I102-H104 PolarHBondContact O-N 3.42Å; H104-L245 HydrophobicContact CB-CD1 4.05Å; H104-L245 HydrophobicContact CB-CD2 4.31Å; H104-I249 HydrophobicContact CB-CD1 3.72Å
105M97.4Very high98.4Very high19 Ų1930.1 Ų30.19%0.09416%0.16CC..THydrogen-bonded Turntrans-70.2-21.4166.1-63.8-167.7-71.900112.8I102 T103 I211 L238 R241 L242 L245I102-M105 HydrophobicContact CB-CE 4.3Å; I102-M105 HydrophobicContact CG2-CE 3.77Å; I102-M105 VanDerWaalsContact O-CB 3.25Å; I102-M105 WeakPolarHBondContact O-CB 3.49Å; I102-M105 VanDerWaalsContact O-CE 3.24Å; I102-M105 WeakPolarHBondContact O-CE 3.45Å; I102-M105 VanDerWaalsContact O-CG 3.29Å; I102-M105 WeakPolarHBondContact O-CG 3.24Å; I102-M105 PolarHBondContact O-N 3.17Å; I102-M105 VanDerWaalsContact O-N 3.17Å; T103-M105 PolarHBondContact O-N 3.48Å; T103-M105 VanDerWaalsContact O-N 3.13Å; M105-I211 HydrophobicContact CE-CD1 3.81Å; M105-L238 HydrophobicContact CE-CD1 3.99Å; M105-L238 HydrophobicContact SD-CD1 3.39Å; M105-L238 WeakPolarHBondContact SD-CD1 3.46Å; M105-L238 HydrophobicContact SD-CG 4.43Å; M105-R241 PolarHBondContact O-NH2 2.96Å; M105-L242 HydrophobicContact CE-CD1 4.47Å; M105-L242 HydrophobicContact CE-CD2 4Å; M105-L242 HydrophobicContact CE-CG 4.37Å; M105-L242 HydrophobicContact CG-CD2 3.81Å; M105-L242 HydrophobicContact CG-CG 4.34Å; M105-L242 HydrophobicContact SD-CD1 4.13Å; M105-L242 HydrophobicContact SD-CD2 3.53Å; M105-L242 VanDerWaalsContact SD-CD2 3.53Å; M105-L242 HydrophobicContact SD-CG 3.56Å; M105-L242 VanDerWaalsContact SD-CG 3.56Å; M105-L245 HydrophobicContact CB-CD1 4.47Å; M105-L245 HydrophobicContact CG-CD1 3.72Å
106L98.3Very high98.2Very high25 Ų2531.5 Ų31.513%0.13117%0.166CC..SBendtrans-84.6163.8179.8-52.7-174.9000111T103 D110 I112 L135 K157 L158T103-L106 VanDerWaalsContact O-CB 3.27Å; T103-L106 WeakPolarHBondContact O-CB 3.19Å; T103-L106 WeakPolarHBondContact O-CG 3.39Å; T103-L106 PolarHBondContact O-N 3Å; L106-D110 WeakPolarHBondContact CA-OD2 3.33Å; L106-D110 HydrophobicContact CB-CB 4.12Å; L106-I112 HydrophobicContact CD1-CD1 3.88Å; L106-I112 HydrophobicContact CD1-CG1 3.6Å; L106-L135 HydrophobicContact CB-CD1 4.29Å; L106-L135 HydrophobicContact CB-CD2 3.78Å; L106-L135 HydrophobicContact CD1-CD1 4.47Å; L106-L135 HydrophobicContact CD1-CD2 4.36Å; L106-K157 HydrophobicContact CD2-CB 3.68Å; L106-L158 HydrophobicContact CD1-CB 3.96Å; L106-L158 HydrophobicContact CD1-CD2 4.13Å; L106-L158 HydrophobicContact CD2-CB 4.34Å
107K97.8Very high98Very high151 Ų15129 Ų2966%0.65715%0.153SC*.  trans-123.5161.317461.3-173.9175.6-1670110.6G109 D110 L135K107-G109 PolarHBondContact O-N 3.08Å; K107-D110 WeakPolarHBondContact CG-OD2 3.37Å; K107-D110 PolarHBondContact N-OD2 3.49Å; K107-D110 VanDerWaalsContact O-CB 3.24Å; K107-D110 WeakPolarHBondContact O-CB 3.5Å; K107-D110 PolarHBondContact O-N 3.28Å; K107-L135 WeakPolarHBondContact O-CD2 3.49Å
108K98Very high97.8Very high179 Ų17928.2 Ų28.278%0.77815%0.146SC*.THydrogen-bonded Turntrans-46.9129.8174.9179.8178.6179.6179.50111
109G97.3Very high97.5Very high43 Ų4331.8 Ų31.844%0.44316%0.16SC..THydrogen-bonded Turntrans92.9-14-177.800000114.6K107 G134 N155K107-G109 PolarHBondContact O-N 3.08Å; G109-G134 PolarHBondContact N-O 3.15Å; G109-N155 PolarHBondContact O-ND2 3.17Å
110D98.4Very high97Very high19 Ų1931.8 Ų31.810%0.10216%0.16CC..  trans-69.3145.2169-67.1-13.7000110.4L106 K107 L135 K157L106-D110 WeakPolarHBondContact CA-OD2 3.33Å; L106-D110 HydrophobicContact CB-CB 4.12Å; K107-D110 WeakPolarHBondContact CG-OD2 3.37Å; K107-D110 PolarHBondContact N-OD2 3.49Å; K107-D110 VanDerWaalsContact O-CB 3.24Å; K107-D110 WeakPolarHBondContact O-CB 3.5Å; K107-D110 PolarHBondContact O-N 3.28Å; D110-L135 HydrophobicContact CB-CD2 4.15Å; D110-K157 HydrophobicContact CB-CB 4.16Å; D110-K157 HydrophobicContact CB-CG 3.98Å
111G98.3Very high96.6Very high4 Ų430.9 Ų30.94%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-103.7148.3179.100000112.8E136 N155 T156 K157 L158G111-E136 WeakPolarHBondContact CA-O 3.44Å; G111-N155 PolarHBondContact N-O 3.41Å; G111-T156 WeakPolarHBondContact O-CA 3.37Å; G111-K157 PolarHBondContact O-N 2.99Å; G111-L158 PolarHBondContact O-N 3.31Å
112I98.8Very high96.5Very high1 Ų130.9 Ų30.91%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-116.7133.8175.5-55.8172.7000107.9T103 L106 F126 L135 E136 T137 T138 L158T103-I112 HydrophobicContact CG2-CD1 4.11Å; L106-I112 HydrophobicContact CD1-CD1 3.88Å; L106-I112 HydrophobicContact CD1-CG1 3.6Å; I112-F126 HydrophobicContact CD1-CD1 3.78Å; I112-F126 HydrophobicContact CD1-CE1 3.82Å; I112-F126 HydrophobicContact CG2-CE1 4.35Å; I112-F126 HydrophobicContact CG2-CZ 4.48Å; I112-L135 HydrophobicContact CD1-CB 4.27Å; I112-E136 PolarHBondContact N-O 3.03Å; I112-T137 HydrophobicContact CB-CG2 4.2Å; I112-T137 HydrophobicContact CG2-CG2 4.1Å; I112-T137 CarbonylContact O-C 3.57Å; I112-T137 WeakPolarHBondContact O-CA 3.46Å; I112-T138 PolarHBondContact O-N 3.44Å; I112-L158 CarbonylContact C-O 3.45Å; I112-L158 WeakPolarHBondContact CA-O 3.27Å; I112-L158 HydrophobicContact CD1-CD2 4.42Å; I112-L158 HydrophobicContact CG1-CB 4.28Å; I112-L158 HydrophobicContact CG1-CD2 4.29Å; I112-L158 HydrophobicContact CG2-CB 4.38Å; I112-L158 HydrophobicContact CG2-CD2 4.14Å; I112-L158 HydrophobicContact CG2-CG 4.46Å
113V98.8Very high96.2Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-103.7128.4161179.30000107.8T138 A140 L148 A151 L152 T156 L158 V159 W160V113-T138 CarbonylContact C-O 3.59Å; V113-T138 VanDerWaalsContact CA-O 3.29Å; V113-T138 WeakPolarHBondContact CA-O 3.28Å; V113-A140 HydrophobicContact CG1-CB 4.38Å; V113-L148 HydrophobicContact CG1-CD1 3.93Å; V113-A151 HydrophobicContact CG1-CB 3.86Å; V113-A151 HydrophobicContact CG2-CB 4.15Å; V113-A151 WeakPolarHBondContact CG2-O 3.47Å; V113-L152 HydrophobicContact CG2-CD2 4.19Å; V113-T156 HydrophobicContact CG2-CG2 4.01Å; V113-L158 PolarHBondContact N-O 3.17Å; V113-V159 HydrophobicContact CB-CG2 4.17Å; V113-V159 CarbonylContact O-C 3.52Å; V113-V159 VanDerWaalsContact O-CA 3.28Å; V113-V159 WeakPolarHBondContact O-CA 3.4Å; V113-W160 PolarHBondContact O-N 3.3Å
114C98.7Very high96Very high0 Ų035.7 Ų35.70%017%0.172CC..EExtended strand (participates in β ladder)trans-123.6142.7-179.6-169.10000109.8D116 F126 T137 T138 F139 A140 W160C114-D116 PolarHBondContact O-N 3.4Å; C114-F126 HydrophobicContact CB-CD2 4.32Å; C114-T137 HydrophobicContact CB-CG2 3.77Å; C114-T138 PolarHBondContact N-O 3.08Å; C114-F139 HydrophobicContact CB-CD1 3.86Å; C114-F139 HydrophobicContact CB-CE1 3.84Å; C114-F139 CarbonylContact O-C 3.59Å; C114-F139 VanDerWaalsContact O-CA 3.28Å; C114-F139 WeakPolarHBondContact O-CA 3.44Å; C114-A140 PolarHBondContact O-N 2.88Å; C114-W160 CarbonylContact C-O 3.59Å; C114-W160 WeakPolarHBondContact CA-O 3.44Å; C114-W160 HydrophobicContact CB-CB 4.49Å
115M97.8Very high95.9Very high0 Ų032.8 Ų32.80%016%0.158CC..EExtended strand (participates in β ladder)trans-53.5138.5168.618062.8-175.600110.2D117 V118 A140 C142 T143 W160 T165 K170 V172M115-D117 VanDerWaalsContact CG-O 3.25Å; M115-D117 WeakPolarHBondContact CG-O 3.36Å; M115-V118 HydrophobicContact CB-CG1 3.68Å; M115-V118 HydrophobicContact CG-CG1 4.22Å; M115-V118 WeakPolarHBondContact O-CG1 3.2Å; M115-A140 CarbonylContact C-O 3.56Å; M115-A140 WeakPolarHBondContact CA-O 3.44Å; M115-C142 HydrophobicContact SD-CB 3.53Å; M115-C142 VanDerWaalsContact SD-CB 3.53Å; M115-C142 PolarHBondContact SD-N 3.24Å; M115-T143 HydrophobicContact CE-CG2 3.96Å; M115-W160 PolarHBondContact N-O 3.02Å; M115-T165 HydrophobicContact CE-CG2 3.79Å; M115-T165 HydrophobicContact CG-CG2 3.9Å; M115-K170 HydrophobicContact CE-CB 4.14Å; M115-K170 HydrophobicContact CE-CD 3.55Å; M115-V172 HydrophobicContact CE-CG2 4.19Å; M115-V172 HydrophobicContact SD-CG2 4.08Å
116D93.9Very high95.9Very high35 Ų3531.9 Ų31.919%0.18715%0.153CC..SBendtrans-66.1-38.7-175.770.1-21000112.9C114 A140 K170 L373C114-D116 PolarHBondContact O-N 3.4Å; D116-A140 PolarHBondContact N-O 2.81Å; D116-K170 IonicContact OD1-NZ 3.81Å; D116-K170 PolarHBondContact OD1-NZ 2.83Å; D116-K170 IonicContact OD2-NZ 2.97Å; D116-K170 PolarHBondContact OD2-NZ 2.91Å; D116-L373 HydrophobicContact CB-CD2 4.38Å
117D93.8Very high95.7Very high1 Ų133.8 Ų33.81%0.00516%0.162CC..SBendtrans-102.7106.7172.8-167.748.1000109.5M115 T165 M168 K170 L373M115-D117 VanDerWaalsContact CG-O 3.25Å; M115-D117 WeakPolarHBondContact CG-O 3.36Å; D117-T165 HydrophobicContact CB-CG2 4.18Å; D117-T165 VanDerWaalsContact O-CB 3.24Å; D117-T165 WeakPolarHBondContact O-CB 3.49Å; D117-T165 WeakPolarHBondContact O-CG2 3.41Å; D117-T165 WeakPolarHBondContact OD2-CB 3.48Å; D117-T165 PolarHBondContact OD2-OG1 2.86Å; D117-M168 WeakPolarHBondContact OD2-CB 3.46Å; D117-M168 WeakPolarHBondContact OD2-CG 3.45Å; D117-M168 PolarHBondContact OD2-N 3.31Å; D117-K170 HydrophobicContact CB-CD 4.17Å; D117-L373 HydrophobicContact CB-CD2 4.11Å
118V94.2Very high95.5Very high5 Ų534.4 Ų34.43%0.0316%0.16CC..  trans-141.3165177.1-69.20000108.2M115 G120 T122 N123 E162 N166M115-V118 HydrophobicContact CB-CG1 3.68Å; M115-V118 HydrophobicContact CG-CG1 4.22Å; M115-V118 WeakPolarHBondContact O-CG1 3.2Å; V118-G120 PolarHBondContact O-N 3.38Å; V118-T122 HydrophobicContact CB-CG2 4.41Å; V118-T122 HydrophobicContact CG2-CG2 4.19Å; V118-N123 HydrophobicContact CG2-CB 3.99Å; V118-E162 WeakPolarHBondContact CA-OE2 3.47Å; V118-E162 HydrophobicContact CG1-CB 4.01Å; V118-N166 CarbonylContact C-O 3.58Å
119Y93.3Very high95.4Very high74 Ų7429 Ų2929%0.2914%0.142SC..  trans-43.9127.3169170.6-126.2000111.8L96 G121 T122 N123 E162L96-Y119 HydrophobicContact CD1-CE1 4.39Å; L96-Y119 HydrophobicContact CD2-CD1 4.47Å; L96-Y119 HydrophobicContact CD2-CE1 4.08Å; L96-Y119 HydrophobicContact CG-CE1 4.31Å; Y119-G121 PolarHBondContact O-N 3.28Å; Y119-T122 WeakPolarHBondContact O-CA 3.36Å; Y119-T122 VanDerWaalsContact O-CB 3.27Å; Y119-T122 WeakPolarHBondContact O-CB 3.2Å; Y119-T122 PolarHBondContact O-N 3.11Å; Y119-N123 PolarHBondContact O-N 3.43Å; Y119-N123 VanDerWaalsContact O-N 3.11Å; Y119-E162 PolarHBondContact N-OE2 3.4Å
120G88.7Confident95.4Very high1 Ų127 Ų271%0.0112%0.121CC..Hα-helixtrans-53.4-27.8-178.100000115V118 R124V118-G120 PolarHBondContact O-N 3.38Å; G120-R124 VanDerWaalsContact O-CB 3.25Å; G120-R124 WeakPolarHBondContact O-CB 3.2Å; G120-R124 PolarHBondContact O-N 3.44Å
121G90.8Very high95.3Very high2 Ų228.5 Ų28.52%0.02114%0.136CC..Hα-helixtrans-70.5-35.3172.600000114Y119 Y125Y119-G121 PolarHBondContact O-N 3.28Å; G121-Y125 WeakPolarHBondContact O-CB 3.33Å; G121-Y125 PolarHBondContact O-N 2.9Å
122T95.9Very high95.2Very high2 Ų231.6 Ų31.61%0.01217%0.168CC..Hα-helixtrans-65.9-48.9173.1-57.70000110.3V118 Y119 R124 Y125 F126 W160V118-T122 HydrophobicContact CB-CG2 4.41Å; V118-T122 HydrophobicContact CG2-CG2 4.19Å; Y119-T122 WeakPolarHBondContact O-CA 3.36Å; Y119-T122 VanDerWaalsContact O-CB 3.27Å; Y119-T122 WeakPolarHBondContact O-CB 3.2Å; Y119-T122 PolarHBondContact O-N 3.11Å; T122-R124 PolarHBondContact O-N 3.42Å; T122-Y125 PolarHBondContact O-N 3.48Å; T122-F126 HydrophobicContact CG2-CD2 3.74Å; T122-F126 HydrophobicContact CG2-CE2 3.43Å; T122-F126 VanDerWaalsContact CG2-CE2 3.43Å; T122-F126 HydrophobicContact CG2-CZ 4.42Å; T122-F126 WeakPolarHBondContact O-CD2 3.35Å; T122-F126 PolarHBondContact O-N 3.46Å; T122-W160 HydrophobicContact CG2-CZ2 4.49Å
123N93.4Very high95.1Very high12 Ų1237.5 Ų37.56%0.06419%0.193CC..Hα-helixtrans-55.5-52.1174.5177.1-64.1000111V118 Y119 Y125 F126 Q127V118-N123 HydrophobicContact CG2-CB 3.99Å; Y119-N123 PolarHBondContact O-N 3.43Å; Y119-N123 VanDerWaalsContact O-N 3.11Å; N123-Y125 VanDerWaalsContact C-N 3.32Å; N123-Y125 PolarHBondContact O-N 2.8Å; N123-F126 PolarHBondContact O-N 3.2Å; N123-Q127 PolarHBondContact ND2-NE2 2.92Å; N123-Q127 WeakPolarHBondContact O-CB 3.5Å; N123-Q127 WeakPolarHBondContact O-CG 3.35Å; N123-Q127 PolarHBondContact O-N 3.06Å; N123-Q127 PolarHBondContact OD1-NE2 3.47Å; N123-Q127 PolarHBondContact OD1-OE1 3.34Å
124R93.2Very high95Very high91 Ų9139 Ų3934%0.34321%0.209SC..Hα-helixtrans-58.3-42179-178.9175.462.9-110.82.4112.5G120 T122 R128 S364G120-R124 VanDerWaalsContact O-CB 3.25Å; G120-R124 WeakPolarHBondContact O-CB 3.2Å; G120-R124 PolarHBondContact O-N 3.44Å; T122-R124 PolarHBondContact O-N 3.42Å; R124-R128 WeakPolarHBondContact O-CB 3.34Å; R124-R128 PolarHBondContact O-N 3.47Å; R124-S364 PolarHBondContact NH1-OG 2.85Å
125Y97.2Very high94.9Very high25 Ų2539.5 Ų39.510%0.09821%0.211CC..Iπ-helixtrans-61.8-51.6177.7172.1-98.4000111.2T99 A100 T103 G121 T122 N123 V129 A130T99-Y125 HydrophobicContact CG2-CD1 3.88Å; T99-Y125 HydrophobicContact CG2-CE1 4.2Å; A100-Y125 HydrophobicContact CB-CE2 3.9Å; T103-Y125 VanDerWaalsContact CB-OH 3.29Å; T103-Y125 WeakPolarHBondContact CB-OH 3.4Å; T103-Y125 HydrophobicContact CG2-CE1 3.89Å; T103-Y125 WeakPolarHBondContact CG2-OH 3.47Å; T103-Y125 WeakPolarHBondContact OG1-CE1 3.48Å; G121-Y125 WeakPolarHBondContact O-CB 3.33Å; G121-Y125 PolarHBondContact O-N 2.9Å; T122-Y125 PolarHBondContact O-N 3.48Å; N123-Y125 VanDerWaalsContact C-N 3.32Å; N123-Y125 PolarHBondContact O-N 2.8Å; Y125-V129 HydrophobicContact CD2-CB 3.76Å; Y125-V129 HydrophobicContact CD2-CG1 3.96Å; Y125-V129 HydrophobicContact CD2-CG2 4.26Å; Y125-V129 HydrophobicContact CE2-CB 3.98Å; Y125-V129 HydrophobicContact CE2-CG1 3.71Å; Y125-V129 WeakPolarHBondContact O-CA 3.48Å; Y125-V129 WeakPolarHBondContact O-CB 3.43Å; Y125-V129 PolarHBondContact O-N 3.18Å; Y125-A130 HydrophobicContact CE1-CB 4.17Å; Y125-A130 PolarHBondContact O-N 2.91Å
126F97.2Very high94.8Very high0 Ų044.4 Ų44.40%024%0.235CC..Iπ-helixtrans-66-43.4-178.7-71.9-45.9000112.9T99 T103 I112 C114 T122 N123 A130 A131 T137 F139 W160T99-F126 HydrophobicContact CG2-CZ 4.1Å; T103-F126 HydrophobicContact CG2-CE1 4.36Å; T103-F126 WeakPolarHBondContact OG1-CE1 3.36Å; I112-F126 HydrophobicContact CD1-CD1 3.78Å; I112-F126 HydrophobicContact CD1-CE1 3.82Å; I112-F126 HydrophobicContact CG2-CE1 4.35Å; I112-F126 HydrophobicContact CG2-CZ 4.48Å; C114-F126 HydrophobicContact CB-CD2 4.32Å; T122-F126 HydrophobicContact CG2-CD2 3.74Å; T122-F126 HydrophobicContact CG2-CE2 3.43Å; T122-F126 VanDerWaalsContact CG2-CE2 3.43Å; T122-F126 HydrophobicContact CG2-CZ 4.42Å; T122-F126 WeakPolarHBondContact O-CD2 3.35Å; T122-F126 PolarHBondContact O-N 3.46Å; N123-F126 PolarHBondContact O-N 3.2Å; F126-A130 HydrophobicContact CD1-CB 4.18Å; F126-A131 PolarHBondContact O-N 3.29Å; F126-T137 HydrophobicContact CB-CG2 4.06Å; F126-T137 HydrophobicContact CG-CG2 4.44Å; F126-F139 HydrophobicContact CB-CZ 4.26Å; F126-W160 HydrophobicContact CE2-CB 4.12Å; F126-W160 AromaticContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CE3 4.27Å; F126-W160 AromaticContact CE2-CG 3.85Å; F126-W160 HydrophobicContact CE2-CG 3.85Å; F126-W160 HydrophobicContact CZ-CB 4.32Å; F126-W160 AromaticContact CZ-CD2 3.88Å; F126-W160 HydrophobicContact CZ-CD2 3.88Å; F126-W160 AromaticContact CZ-CE3 3.72Å; F126-W160 HydrophobicContact CZ-CE3 3.72Å; F126-W160 HydrophobicContact CZ-CG 4.13Å; F126-W160 HydrophobicContact CZ-CZ3 4.38Å
127Q93.4Very high94.9Very high65 Ų6544 Ų4430%0.30423%0.234SC..Iπ-helixtrans-69.2-40.2-179-72-169.1-100113.3N123 A131 F139 E369N123-Q127 PolarHBondContact ND2-NE2 2.92Å; N123-Q127 WeakPolarHBondContact O-CB 3.5Å; N123-Q127 WeakPolarHBondContact O-CG 3.35Å; N123-Q127 PolarHBondContact O-N 3.06Å; N123-Q127 PolarHBondContact OD1-NE2 3.47Å; N123-Q127 PolarHBondContact OD1-OE1 3.34Å; Q127-A131 VanDerWaalsContact O-CB 3.26Å; Q127-A131 WeakPolarHBondContact O-CB 3.25Å; Q127-F139 HydrophobicContact CG-CE2 3.68Å; Q127-F139 HydrophobicContact CG-CZ 3.74Å; Q127-E369 PolarHBondContact NE2-OE2 3.28Å
128R93.8Very high95.1Very high163 Ų16345.6 Ų45.662%0.61524%0.243SC*.Iπ-helixtrans-108.5-34.9-168-56-168.9-177-171.11.9114.1R124R124-R128 WeakPolarHBondContact O-CB 3.34Å; R124-R128 PolarHBondContact O-N 3.47Å
129V97.1Very high95.3Very high67 Ų6748.4 Ų48.441%0.40626%0.255SS..Iπ-helixtrans-95.9-56.4-175.1-177.50000110.4Y125 A131 G132 F133Y125-V129 HydrophobicContact CD2-CB 3.76Å; Y125-V129 HydrophobicContact CD2-CG1 3.96Å; Y125-V129 HydrophobicContact CD2-CG2 4.26Å; Y125-V129 HydrophobicContact CE2-CB 3.98Å; Y125-V129 HydrophobicContact CE2-CG1 3.71Å; Y125-V129 WeakPolarHBondContact O-CA 3.48Å; Y125-V129 WeakPolarHBondContact O-CB 3.43Å; Y125-V129 PolarHBondContact O-N 3.18Å; V129-A131 VanDerWaalsContact C-N 3.3Å; V129-A131 PolarHBondContact O-N 2.9Å; V129-G132 PolarHBondContact O-N 3.36Å; V129-F133 HydrophobicContact CG1-CE2 3.99Å; V129-F133 VanDerWaalsContact O-CD2 3.25Å; V129-F133 WeakPolarHBondContact O-CD2 3.49Å
130A97.5Very high95.5Very high0 Ų045.4 Ų45.40%025%0.245CC..G310 helixtrans-61.3-39.1-178.700000112.1T103 Y125 F126 G132 F133 L135T103-A130 HydrophobicContact CG2-CB 4.28Å; Y125-A130 HydrophobicContact CE1-CB 4.17Å; Y125-A130 PolarHBondContact O-N 2.91Å; F126-A130 HydrophobicContact CD1-CB 4.18Å; A130-G132 PolarHBondContact O-N 3.14Å; A130-F133 PolarHBondContact O-N 3.43Å; A130-L135 HydrophobicContact CB-CB 4.3Å; A130-L135 HydrophobicContact CB-CD1 4.29Å; A130-L135 PolarHBondContact O-N 3.36Å
131A95.6Very high95.9Very high51 Ų5146.3 Ų46.342%0.42125%0.25SS..G310 helixtrans-55.6-36.3174.100000113.2F126 Q127 V129 F133 G134 L135F126-A131 PolarHBondContact O-N 3.29Å; Q127-A131 VanDerWaalsContact O-CB 3.26Å; Q127-A131 WeakPolarHBondContact O-CB 3.25Å; V129-A131 VanDerWaalsContact C-N 3.3Å; V129-A131 PolarHBondContact O-N 2.9Å; A131-F133 PolarHBondContact O-N 2.86Å; A131-G134 PolarHBondContact O-N 3.08Å; A131-L135 WeakPolarHBondContact CA-O 3.5Å
132G96.4Very high96.2Very high69 Ų6946.3 Ų46.371%0.71125%0.25SC*.G310 helixtrans-64.5-21.8176.800000114V129 A130 G134V129-G132 PolarHBondContact O-N 3.36Å; A130-G132 PolarHBondContact O-N 3.14Å; G132-G134 VanDerWaalsContact C-N 3.34Å
133F95.6Very high96.3Very high124 Ų12447.9 Ų47.954%0.54426%0.26SS..G310 helixtrans-92.46.4174.6-62.5-75.3000113.1V129 A130 A131V129-F133 HydrophobicContact CG1-CE2 3.99Å; V129-F133 VanDerWaalsContact O-CD2 3.25Å; V129-F133 WeakPolarHBondContact O-CD2 3.49Å; A130-F133 PolarHBondContact O-N 3.43Å; A131-F133 PolarHBondContact O-N 2.86Å
134G96.6Very high96.5Very high31 Ų3151.7 Ų51.732%0.3228%0.275SS..THydrogen-bonded Turntrans74.330.4-178.200000113.6G109 A131 G132G109-G134 PolarHBondContact N-O 3.15Å; A131-G134 PolarHBondContact O-N 3.08Å; G132-G134 VanDerWaalsContact C-N 3.34Å
135L98.1Very high96.6Very high11 Ų1150 Ų506%0.05828%0.277CS..  trans-99.3116.2169.8-59.7174.3000108.9T103 L106 K107 D110 I112 A130 A131T103-L135 HydrophobicContact CG2-CD1 3.54Å; L106-L135 HydrophobicContact CB-CD1 4.29Å; L106-L135 HydrophobicContact CB-CD2 3.78Å; L106-L135 HydrophobicContact CD1-CD1 4.47Å; L106-L135 HydrophobicContact CD1-CD2 4.36Å; K107-L135 WeakPolarHBondContact O-CD2 3.49Å; D110-L135 HydrophobicContact CB-CD2 4.15Å; I112-L135 HydrophobicContact CD1-CB 4.27Å; A130-L135 HydrophobicContact CB-CB 4.3Å; A130-L135 HydrophobicContact CB-CD1 4.29Å; A130-L135 PolarHBondContact O-N 3.36Å; A131-L135 WeakPolarHBondContact CA-O 3.5Å
136E94.4Very high96.6Very high104 Ų10454.4 Ų54.449%0.48630%0.298SS..EExtended strand (participates in β ladder)trans-87.2130.2179.7-168.9-17015400110G111 I112 K153G111-E136 WeakPolarHBondContact CA-O 3.44Å; I112-E136 PolarHBondContact N-O 3.03Å; E136-K153 IonicContact OE1-NZ 3.71Å; E136-K153 PolarHBondContact OE1-NZ 2.93Å; E136-K153 IonicContact OE2-NZ 2.67Å
137T97.8Very high96.7Very high27 Ų2757.9 Ų57.917%0.16632%0.316CS..EExtended strand (participates in β ladder)trans-109.4126.8175.8-54.20000110.8I112 C114 F126 F139I112-T137 HydrophobicContact CB-CG2 4.2Å; I112-T137 HydrophobicContact CG2-CG2 4.1Å; I112-T137 CarbonylContact O-C 3.57Å; I112-T137 WeakPolarHBondContact O-CA 3.46Å; C114-T137 HydrophobicContact CB-CG2 3.77Å; F126-T137 HydrophobicContact CB-CG2 4.06Å; F126-T137 HydrophobicContact CG-CG2 4.44Å; T137-F139 HydrophobicContact CG2-CD2 4.09Å; T137-F139 HydrophobicContact CG2-CE1 4.35Å; T137-F139 HydrophobicContact CG2-CE2 3.65Å; T137-F139 HydrophobicContact CG2-CZ 3.8Å
138T98Very high96.9Very high34 Ų3454.8 Ų54.821%0.20930%0.302CS..EExtended strand (participates in β ladder)trans-103121.4169.4-56.80000108.6I112 V113 C114 A151 K153I112-T138 PolarHBondContact O-N 3.44Å; V113-T138 CarbonylContact C-O 3.59Å; V113-T138 VanDerWaalsContact CA-O 3.29Å; V113-T138 WeakPolarHBondContact CA-O 3.28Å; C114-T138 PolarHBondContact N-O 3.08Å; T138-A151 HydrophobicContact CG2-CB 3.88Å; T138-K153 WeakPolarHBondContact OG1-CE 3.5Å; T138-K153 PolarHBondContact OG1-NZ 3.34Å
139F96.9Very high97.1Very high63 Ų6353.6 Ų53.628%0.27630%0.301SS..EExtended strand (participates in β ladder)trans-90.6133.9176.3-68.5-92.3000110.3C114 F126 Q127 T137C114-F139 HydrophobicContact CB-CD1 3.86Å; C114-F139 HydrophobicContact CB-CE1 3.84Å; C114-F139 CarbonylContact O-C 3.59Å; C114-F139 VanDerWaalsContact O-CA 3.28Å; C114-F139 WeakPolarHBondContact O-CA 3.44Å; F126-F139 HydrophobicContact CB-CZ 4.26Å; Q127-F139 HydrophobicContact CG-CE2 3.68Å; Q127-F139 HydrophobicContact CG-CZ 3.74Å; T137-F139 HydrophobicContact CG2-CD2 4.09Å; T137-F139 HydrophobicContact CG2-CE1 4.35Å; T137-F139 HydrophobicContact CG2-CE2 3.65Å; T137-F139 HydrophobicContact CG2-CZ 3.8Å
140A97.3Very high97.2Very high11 Ų1154.3 Ų54.39%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-144.9147.2-179.300000111.7V113 C114 M115 D116 C142 A151V113-A140 HydrophobicContact CG1-CB 4.38Å; C114-A140 PolarHBondContact O-N 2.88Å; M115-A140 CarbonylContact C-O 3.56Å; M115-A140 WeakPolarHBondContact CA-O 3.44Å; D116-A140 PolarHBondContact N-O 2.81Å; A140-C142 PolarHBondContact O-N 3.07Å; A140-A151 HydrophobicContact CB-CB 3.72Å
141D97.7Very high97.2Very high21 Ų2154.7 Ų54.711%0.11232%0.317CS..  trans-73.892.7170.8176.29.8000109.2T143 K144 L147D141-T143 VanDerWaalsContact CG-OG1 3.31Å; D141-T143 PolarHBondContact O-N 3.26Å; D141-T143 WeakPolarHBondContact OD1-CB 3.24Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.29Å; D141-T143 PolarHBondContact OD1-N 3.19Å; D141-T143 VanDerWaalsContact OD1-N 3.16Å; D141-T143 PolarHBondContact OD1-OG1 2.92Å; D141-T143 PolarHBondContact OD2-OG1 3.33Å; D141-K144 PolarHBondContact O-N 3.21Å; D141-K144 VanDerWaalsContact O-N 3.15Å; D141-K144 WeakPolarHBondContact OD2-CE 3.25Å; D141-K144 IonicContact OD2-NZ 3.65Å; D141-K144 PolarHBondContact OD2-NZ 3.09Å; D141-K144 VanDerWaalsContact OD2-NZ 3.16Å; D141-L147 HydrophobicContact CB-CD1 3.98Å
142C98.1Very high97.4Very high1 Ų153 Ų531%0.00730%0.301CS..THydrogen-bonded Turntrans-70.5-4.1-178.7-600000113.3M115 A140 K144 I161 V172 C177M115-C142 HydrophobicContact SD-CB 3.53Å; M115-C142 VanDerWaalsContact SD-CB 3.53Å; M115-C142 PolarHBondContact SD-N 3.24Å; A140-C142 PolarHBondContact O-N 3.07Å; C142-K144 PolarHBondContact O-N 3.05Å; C142-I161 HydrophobicContact CB-CG1 4.45Å; C142-V172 HydrophobicContact CB-CG1 4.1Å; C142-V172 HydrophobicContact CB-CG2 4.21Å; C142-V172 WeakPolarHBondContact O-CG1 3.5Å; C142-C177 PolarHBondContact O-SG 3.28Å
143T97.7Very high97.4Very high36 Ų3652.9 Ų52.922%0.22128%0.281CS..THydrogen-bonded Turntrans-67.7-14.3168.472.40000112.3M115 D141 K170 V172M115-T143 HydrophobicContact CE-CG2 3.96Å; D141-T143 VanDerWaalsContact CG-OG1 3.31Å; D141-T143 PolarHBondContact O-N 3.26Å; D141-T143 WeakPolarHBondContact OD1-CB 3.24Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.29Å; D141-T143 PolarHBondContact OD1-N 3.19Å; D141-T143 VanDerWaalsContact OD1-N 3.16Å; D141-T143 PolarHBondContact OD1-OG1 2.92Å; D141-T143 PolarHBondContact OD2-OG1 3.33Å; T143-K170 HydrophobicContact CG2-CB 3.91Å; T143-K170 HydrophobicContact CG2-CD 4.35Å; T143-V172 HydrophobicContact CG2-CG2 4.03Å
144K97.6Very high97.5Very high91 Ų9153.3 Ų53.340%0.39630%0.296SS..SBendtrans-115.7102.1-178.4-74.3174.3-169.2154.60110.1D141 C142 E146 L147 L148D141-K144 PolarHBondContact O-N 3.21Å; D141-K144 VanDerWaalsContact O-N 3.15Å; D141-K144 WeakPolarHBondContact OD2-CE 3.25Å; D141-K144 IonicContact OD2-NZ 3.65Å; D141-K144 PolarHBondContact OD2-NZ 3.09Å; D141-K144 VanDerWaalsContact OD2-NZ 3.16Å; C142-K144 PolarHBondContact O-N 3.05Å; K144-E146 WeakPolarHBondContact CB-OE1 3.44Å; K144-E146 PolarHBondContact O-N 2.92Å; K144-E146 VanDerWaalsContact O-N 3.11Å; K144-L147 HydrophobicContact CB-CB 4.16Å; K144-L147 HydrophobicContact CB-CD1 3.96Å; K144-L147 HydrophobicContact CB-CG 3.92Å; K144-L147 HydrophobicContact CD-CD1 3.62Å; K144-L147 HydrophobicContact CD-CG 4.26Å; K144-L147 HydrophobicContact CG-CD1 4.46Å; K144-L147 PolarHBondContact O-N 2.87Å; K144-L148 PolarHBondContact O-N 2.84Å; K144-L148 VanDerWaalsContact O-N 3.16Å
145P95.1Very high97.5Very high57 Ų5754.3 Ų54.337%0.3729%0.294SS..Hα-helixtrans-53.8-33-177.3-28.636.1000114.2L148 K149 L180P145-L148 PolarHBondContact O-N 2.86Å; P145-K149 WeakPolarHBondContact O-CB 3.37Å; P145-K149 PolarHBondContact O-N 3.36Å; P145-L180 HydrophobicContact CB-CD1 3.88Å; P145-L180 WeakPolarHBondContact O-CD1 3.43Å
146E97.6Very high97.6Very high116 Ų11654 Ų5454%0.54229%0.292SS..Hα-helixtrans-65-36.4176.870.4-76-176.900113.1K144 A150K144-E146 WeakPolarHBondContact CB-OE1 3.44Å; K144-E146 PolarHBondContact O-N 2.92Å; K144-E146 VanDerWaalsContact O-N 3.11Å; E146-A150 WeakPolarHBondContact O-CB 3.5Å; E146-A150 PolarHBondContact O-N 3.43Å
147L98.4Very high97.8Very high73 Ų7351.7 Ų51.738%0.38228%0.281SS..Hα-helixtrans-76.2-39177.8-63.2-174.7000111.2D141 K144 K149 A150 A151D141-L147 HydrophobicContact CB-CD1 3.98Å; K144-L147 HydrophobicContact CB-CB 4.16Å; K144-L147 HydrophobicContact CB-CD1 3.96Å; K144-L147 HydrophobicContact CB-CG 3.92Å; K144-L147 HydrophobicContact CD-CD1 3.62Å; K144-L147 HydrophobicContact CD-CG 4.26Å; K144-L147 HydrophobicContact CG-CD1 4.46Å; K144-L147 PolarHBondContact O-N 2.87Å; L147-K149 VanDerWaalsContact C-N 3.35Å; L147-A150 PolarHBondContact O-N 2.88Å; L147-A151 WeakPolarHBondContact O-CB 3.48Å; L147-A151 PolarHBondContact O-N 3.25Å
148L98.4Very high97.8Very high0 Ų050.5 Ų50.50%027%0.273CS..Hα-helixtrans-58.3-48.8170.7174.757.4000110.5V113 K144 P145 A150 A151 L152 V159 C177 L180 V181V113-L148 HydrophobicContact CG1-CD1 3.93Å; K144-L148 PolarHBondContact O-N 2.84Å; K144-L148 VanDerWaalsContact O-N 3.16Å; P145-L148 PolarHBondContact O-N 2.86Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.95Å; L148-A151 PolarHBondContact O-N 3.49Å; L148-A151 VanDerWaalsContact O-N 3.09Å; L148-L152 WeakPolarHBondContact O-CG 3.37Å; L148-L152 PolarHBondContact O-N 3.28Å; L148-V159 HydrophobicContact CD1-CG1 4.07Å; L148-C177 HydrophobicContact CD2-CB 3.75Å; L148-L180 HydrophobicContact CD2-CD2 4.21Å; L148-L180 HydrophobicContact CG-CD2 4.09Å; L148-V181 HydrophobicContact CD1-CG2 4.46Å; L148-V181 HydrophobicContact CD2-CG2 4.15Å
149K98.1Very high97.9Very high138 Ų13848.9 Ų48.960%0.626%0.263SS*.Hα-helixtrans-58.9-42.1178.4-171.5172.1-177.3168.90112.5P145 L147 A151 L152 L180P145-K149 WeakPolarHBondContact O-CB 3.37Å; P145-K149 PolarHBondContact O-N 3.36Å; L147-K149 VanDerWaalsContact C-N 3.35Å; K149-A151 VanDerWaalsContact C-N 3.28Å; K149-A151 PolarHBondContact O-N 3.39Å; K149-L152 PolarHBondContact O-N 3.38Å; K149-L180 HydrophobicContact CB-CD1 4.27Å; K149-L180 HydrophobicContact CB-CD2 4.21Å
150A98.3Very high98Very high82 Ų8245.9 Ų45.968%0.67825%0.25SS*.Hα-helixtrans-68.6-26.4178.100000113.2E146 L147 L148E146-A150 WeakPolarHBondContact O-CB 3.5Å; E146-A150 PolarHBondContact O-N 3.43Å; L147-A150 PolarHBondContact O-N 2.88Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.95Å
151A98.4Very high98Very high8 Ų845.3 Ų45.37%0.06625%0.246CC..Hα-helixtrans-80.7-19.5178.400000113.7V113 T138 A140 L147 L148 K149 K153V113-A151 HydrophobicContact CG1-CB 3.86Å; V113-A151 HydrophobicContact CG2-CB 4.15Å; V113-A151 WeakPolarHBondContact CG2-O 3.47Å; T138-A151 HydrophobicContact CG2-CB 3.88Å; A140-A151 HydrophobicContact CB-CB 3.72Å; L147-A151 WeakPolarHBondContact O-CB 3.48Å; L147-A151 PolarHBondContact O-N 3.25Å; L148-A151 PolarHBondContact O-N 3.49Å; L148-A151 VanDerWaalsContact O-N 3.09Å; K149-A151 VanDerWaalsContact C-N 3.28Å; K149-A151 PolarHBondContact O-N 3.39Å; A151-K153 PolarHBondContact O-N 2.87Å
152L98.4Very high98.1Very high17 Ų1744.6 Ų44.69%0.08924%0.242CC..  trans-68.2127.7176.2-66.2174000110.9V113 L148 K149 T156 V159 L180 V181 H184 I188V113-L152 HydrophobicContact CG2-CD2 4.19Å; L148-L152 WeakPolarHBondContact O-CG 3.37Å; L148-L152 PolarHBondContact O-N 3.28Å; K149-L152 PolarHBondContact O-N 3.38Å; L152-T156 HydrophobicContact CD2-CG2 3.85Å; L152-V159 HydrophobicContact CD2-CG2 3.98Å; L152-L180 HydrophobicContact CD1-CD2 3.69Å; L152-V181 HydrophobicContact CD2-CG2 4.46Å; L152-H184 HydrophobicContact CD1-CB 3.76Å; L152-I188 HydrophobicContact CD2-CD1 4.29Å
153K97.3Very high98.1Very high65 Ų6544.6 Ų44.628%0.28324%0.242SC..  trans-117.3161179.2-61.2-178.5-171.1-178.50109.9E136 T138 A151 N155 T156E136-K153 IonicContact OE1-NZ 3.71Å; E136-K153 PolarHBondContact OE1-NZ 2.93Å; E136-K153 IonicContact OE2-NZ 2.67Å; T138-K153 WeakPolarHBondContact OG1-CE 3.5Å; T138-K153 PolarHBondContact OG1-NZ 3.34Å; A151-K153 PolarHBondContact O-N 2.87Å; K153-N155 VanDerWaalsContact CB-OD1 3.25Å; K153-N155 WeakPolarHBondContact CB-OD1 3.47Å; K153-N155 PolarHBondContact O-N 2.86Å; K153-T156 PolarHBondContact N-OG1 3.15Å; K153-T156 WeakPolarHBondContact O-CB 3.32Å; K153-T156 PolarHBondContact O-N 3.23Å; K153-T156 PolarHBondContact O-OG1 2.91Å
154P97Very high98.2Very high134 Ų13442.9 Ų42.987%0.8723%0.231SC*.THydrogen-bonded Turntrans-56.8-26.3177.3-26.935.6000114.7
155N97.7Very high98.2Very high51 Ų5138.6 Ų38.627%0.27321%0.213SC..THydrogen-bonded Turntrans-952.2177.470.2-36.5000113.8G109 G111 K153 K157G109-N155 PolarHBondContact O-ND2 3.17Å; G111-N155 PolarHBondContact N-O 3.41Å; K153-N155 VanDerWaalsContact CB-OD1 3.25Å; K153-N155 WeakPolarHBondContact CB-OD1 3.47Å; K153-N155 PolarHBondContact O-N 2.86Å; N155-K157 PolarHBondContact O-N 3.13Å
156T98.6Very high98.2Very high4 Ų436.1 Ų36.13%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-61131.6177.1-62.50000109.9G111 V113 L152 K153 V159 I188G111-T156 WeakPolarHBondContact O-CA 3.37Å; V113-T156 HydrophobicContact CG2-CG2 4.01Å; L152-T156 HydrophobicContact CD2-CG2 3.85Å; K153-T156 PolarHBondContact N-OG1 3.15Å; K153-T156 WeakPolarHBondContact O-CB 3.32Å; K153-T156 PolarHBondContact O-N 3.23Å; K153-T156 PolarHBondContact O-OG1 2.91Å; T156-V159 HydrophobicContact CG2-CG2 4.4Å; T156-I188 HydrophobicContact CG2-CD1 4.05Å; T156-I188 HydrophobicContact CG2-CG1 4.43Å; T156-I188 HydrophobicContact CG2-CG2 4.12Å; T156-I188 WeakPolarHBondContact O-CG1 3.28Å
157K98.7Very high98.1Very high57 Ų5730.6 Ų30.625%0.24817%0.17CC..EExtended strand (participates in β ladder)trans-131.5-10.4177.2-67.2-60.9175.3-170.80113.9L106 D110 G111 N155 D187 V189L106-K157 HydrophobicContact CD2-CB 3.68Å; D110-K157 HydrophobicContact CB-CB 4.16Å; D110-K157 HydrophobicContact CB-CG 3.98Å; G111-K157 PolarHBondContact O-N 2.99Å; N155-K157 PolarHBondContact O-N 3.13Å; K157-D187 IonicContact NZ-OD2 3.76Å; K157-V189 PolarHBondContact O-N 3.37Å
158L98.9Very high98Very high1 Ų127.8 Ų27.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-140133.5178.2-171.469.3000110.1I102 L106 G111 I112 V113 W160 V189 V191I102-L158 HydrophobicContact CG2-CD1 4.16Å; I102-L158 HydrophobicContact CG2-CD2 4.47Å; L106-L158 HydrophobicContact CD1-CB 3.96Å; L106-L158 HydrophobicContact CD1-CD2 4.13Å; L106-L158 HydrophobicContact CD2-CB 4.34Å; G111-L158 PolarHBondContact O-N 3.31Å; I112-L158 CarbonylContact C-O 3.45Å; I112-L158 WeakPolarHBondContact CA-O 3.27Å; I112-L158 HydrophobicContact CD1-CD2 4.42Å; I112-L158 HydrophobicContact CG1-CB 4.28Å; I112-L158 HydrophobicContact CG1-CD2 4.29Å; I112-L158 HydrophobicContact CG2-CB 4.38Å; I112-L158 HydrophobicContact CG2-CD2 4.14Å; I112-L158 HydrophobicContact CG2-CG 4.46Å; V113-L158 PolarHBondContact N-O 3.17Å; L158-W160 HydrophobicContact CD2-CE3 4.49Å; L158-V189 WeakPolarHBondContact CA-O 3.42Å; L158-V189 HydrophobicContact CD1-CB 4.01Å; L158-V189 HydrophobicContact CD1-CG1 4.12Å; L158-V191 HydrophobicContact CD1-CG2 3.57Å
159V98.9Very high98Very high0 Ų027.8 Ų27.80%016%0.156CC..EExtended strand (participates in β ladder)trans-115.4122.9163179.60000108.5V113 L148 L152 T156 I161 V181 I188 V189 V191V113-V159 HydrophobicContact CB-CG2 4.17Å; V113-V159 CarbonylContact O-C 3.52Å; V113-V159 VanDerWaalsContact O-CA 3.28Å; V113-V159 WeakPolarHBondContact O-CA 3.4Å; L148-V159 HydrophobicContact CD1-CG1 4.07Å; L152-V159 HydrophobicContact CD2-CG2 3.98Å; T156-V159 HydrophobicContact CG2-CG2 4.4Å; V159-I161 HydrophobicContact CG1-CD1 4.13Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; V159-V181 HydrophobicContact CB-CG2 4.26Å; V159-V181 HydrophobicContact CG1-CG2 4.33Å; V159-V181 HydrophobicContact CG2-CG1 3.92Å; V159-V181 HydrophobicContact CG2-CG2 3.7Å; V159-I188 HydrophobicContact CG2-CG2 3.78Å; V159-V189 PolarHBondContact N-O 3.48Å; V159-V191 PolarHBondContact O-N 3.21Å
160W98.9Very high98Very high0 Ų023.1 Ų23.10%014%0.135CC..EExtended strand (participates in β ladder)trans-109.3115.6179.2-169.9-72.9000110.3T99 I102 V113 C114 M115 T122 F126 L158 V191 D193 M213T99-W160 HydrophobicContact CG2-CH2 3.64Å; T99-W160 HydrophobicContact CG2-CZ2 4.09Å; T99-W160 HydrophobicContact CG2-CZ3 3.88Å; T99-W160 VanDerWaalsContact OG1-CH2 3.29Å; T99-W160 WeakPolarHBondContact OG1-CH2 3.37Å; I102-W160 HydrophobicContact CB-CZ3 4.32Å; I102-W160 HydrophobicContact CD1-CH2 4.15Å; I102-W160 HydrophobicContact CD1-CZ3 3.99Å; I102-W160 HydrophobicContact CG2-CZ3 4.01Å; V113-W160 PolarHBondContact O-N 3.3Å; C114-W160 CarbonylContact C-O 3.59Å; C114-W160 WeakPolarHBondContact CA-O 3.44Å; C114-W160 HydrophobicContact CB-CB 4.49Å; M115-W160 PolarHBondContact N-O 3.02Å; T122-W160 HydrophobicContact CG2-CZ2 4.49Å; F126-W160 HydrophobicContact CE2-CB 4.12Å; F126-W160 AromaticContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CE3 4.27Å; F126-W160 AromaticContact CE2-CG 3.85Å; F126-W160 HydrophobicContact CE2-CG 3.85Å; F126-W160 HydrophobicContact CZ-CB 4.32Å; F126-W160 AromaticContact CZ-CD2 3.88Å; F126-W160 HydrophobicContact CZ-CD2 3.88Å; F126-W160 AromaticContact CZ-CE3 3.72Å; F126-W160 HydrophobicContact CZ-CE3 3.72Å; F126-W160 HydrophobicContact CZ-CG 4.13Å; F126-W160 HydrophobicContact CZ-CZ3 4.38Å; L158-W160 HydrophobicContact CD2-CE3 4.49Å; W160-V191 HydrophobicContact CD2-CB 4.33Å; W160-V191 HydrophobicContact CD2-CG1 4.16Å; W160-V191 HydrophobicContact CE3-CB 3.93Å; W160-V191 HydrophobicContact CE3-CG1 3.79Å; W160-V191 HydrophobicContact CE3-CG2 4.17Å; W160-V191 HydrophobicContact CH2-CG1 4.01Å; W160-V191 HydrophobicContact CZ2-CG1 4.37Å; W160-V191 HydrophobicContact CZ3-CB 4.3Å; W160-V191 HydrophobicContact CZ3-CG1 3.73Å; W160-V191 HydrophobicContact CZ3-CG2 4.39Å; W160-D193 HydrophobicContact CZ2-CB 4.26Å; W160-M213 HydrophobicContact CH2-CG 4.14Å; W160-M213 HydrophobicContact CH2-SD 4.28Å; W160-M213 HydrophobicContact CZ2-SD 4.16Å
161I98.8Very high98Very high0 Ų019.2 Ų19.20%010%0.103CC..EExtended strand (participates in β ladder)trans-115.9142179.4-64.7166.3000108.8C142 V159 T163 V172 C177 V190 V191 V192 D193C142-I161 HydrophobicContact CB-CG1 4.45Å; V159-I161 HydrophobicContact CG1-CD1 4.13Å; V159-I161 HydrophobicContact CG1-CG1 4.04Å; I161-T163 HydrophobicContact CG2-CG2 4.14Å; I161-V172 HydrophobicContact CD1-CG1 4.33Å; I161-V172 HydrophobicContact CG2-CB 3.84Å; I161-V172 HydrophobicContact CG2-CG1 3.8Å; I161-V172 HydrophobicContact CG2-CG2 4.02Å; I161-C177 HydrophobicContact CD1-CB 3.67Å; I161-V190 HydrophobicContact CD1-CG1 4.24Å; I161-V191 PolarHBondContact N-O 3.44Å; I161-V192 HydrophobicContact CB-CG2 4.42Å; I161-V192 CarbonylContact O-C 3.49Å; I161-V192 WeakPolarHBondContact O-CA 3.49Å; I161-D193 PolarHBondContact O-N 3.2Å
162E98.8Very high98Very high6 Ų618.9 Ų18.93%0.02810%0.1CC..EExtended strand (participates in β ladder)trans-121.6132.7166.8-170.7177.3137.800107.1V118 Y119 T165 N166 D193V118-E162 WeakPolarHBondContact CA-OE2 3.47Å; V118-E162 HydrophobicContact CG1-CB 4.01Å; Y119-E162 PolarHBondContact N-OE2 3.4Å; E162-T165 WeakPolarHBondContact O-CG2 3.23Å; E162-N166 WeakPolarHBondContact OE1-CB 3.47Å; E162-N166 PolarHBondContact OE1-N 3.42Å; E162-D193 HydrophobicContact CB-CB 4.33Å; E162-D193 HydrophobicContact CG-CB 4.17Å
163T98.8Very high98Very high1 Ų120.1 Ų20.11%0.00611%0.107CC..SBendtrans-155.7124.8179.8174.30000112I161 V172 I174 V192 Q202I161-T163 HydrophobicContact CG2-CG2 4.14Å; T163-V172 HydrophobicContact CG2-CB 4.37Å; T163-V172 PolarHBondContact OG1-N 2.78Å; T163-I174 HydrophobicContact CG2-CD1 3.75Å; T163-I174 HydrophobicContact CG2-CG1 3.72Å; T163-V192 HydrophobicContact CG2-CG1 4.07Å; T163-Q202 PolarHBondContact O-OE1 3.26Å
164P98.8Very high98.1Very high0 Ų017 Ų170%09%0.093CC..SBendcis-60.1147.9-12.9-18.630.8000111.9M169 K170 V171 F196 M197 P298 M309P164-M169 HydrophobicContact CB-CB 4.21Å; P164-M169 HydrophobicContact CB-CE 3.85Å; P164-M169 HydrophobicContact CB-SD 4.04Å; P164-M169 HydrophobicContact CG-CE 4.1Å; P164-K170 CarbonylContact C-O 3.53Å; P164-K170 VanDerWaalsContact CA-O 3.24Å; P164-K170 WeakPolarHBondContact CA-O 3.23Å; P164-V171 HydrophobicContact CB-CG2 4.36Å; P164-V171 HydrophobicContact CG-CG2 4.25Å; P164-F196 HydrophobicContact CB-CD2 4.46Å; P164-M197 WeakPolarHBondContact CD-SD 3.5Å; P164-M197 HydrophobicContact CG-SD 3.83Å; P164-P298 HydrophobicContact CB-CG 4.27Å; P164-P298 HydrophobicContact CG-CG 3.99Å; P164-M309 HydrophobicContact CG-CE 4.31Å; P164-M309 HydrophobicContact CG-SD 4.5Å
165T98.4Very high98.2Very high0 Ų015.4 Ų15.40%07%0.073CC..PPolyproline II helixtrans-73.8148.4-178.361.10000113.3M115 D117 E162 P167 M168 M169 K170M115-T165 HydrophobicContact CE-CG2 3.79Å; M115-T165 HydrophobicContact CG-CG2 3.9Å; D117-T165 HydrophobicContact CB-CG2 4.18Å; D117-T165 VanDerWaalsContact O-CB 3.24Å; D117-T165 WeakPolarHBondContact O-CB 3.49Å; D117-T165 WeakPolarHBondContact O-CG2 3.41Å; D117-T165 WeakPolarHBondContact OD2-CB 3.48Å; D117-T165 PolarHBondContact OD2-OG1 2.86Å; E162-T165 WeakPolarHBondContact O-CG2 3.23Å; T165-P167 CarbonylContact O-C 3.56Å; T165-M168 PolarHBondContact O-N 2.82Å; T165-M169 VanDerWaalsContact O-CA 3.23Å; T165-M169 WeakPolarHBondContact O-CA 3.25Å; T165-M169 PolarHBondContact O-N 3.28Å; T165-M169 PolarHBondContact OG1-N 3.13Å; T165-K170 HydrophobicContact CG2-CB 3.91Å; T165-K170 PolarHBondContact N-O 3.04Å; T165-K170 WeakPolarHBondContact OG1-CB 3.38Å; T165-K170 PolarHBondContact OG1-N 3.33Å
166N95.4Very high98.2Very high5 Ų514.6 Ų14.63%0.0277%0.073CC..THydrogen-bonded Turntrans-95.6119.5171.4-176.614.8000111.5V118 E162 F196 R381V118-N166 CarbonylContact C-O 3.58Å; E162-N166 WeakPolarHBondContact OE1-CB 3.47Å; E162-N166 PolarHBondContact OE1-N 3.42Å; N166-F196 HydrophobicContact CB-CE1 3.86Å; N166-F196 HydrophobicContact CB-CE2 4.12Å; N166-F196 HydrophobicContact CB-CZ 3.45Å; N166-F196 VanDerWaalsContact CB-CZ 3.45Å; N166-R381 PolarHBondContact OD1-NH1 3.36Å
167P94.9Very high98.3Very high0 Ų014.5 Ų14.50%07%0.073CC..THydrogen-bonded Turncis-102.5-4.35.438.7-33000114T165 M169 T321 P357 I375 L379T165-P167 CarbonylContact O-C 3.56Å; P167-M169 PolarHBondContact O-N 2.86Å; P167-T321 WeakPolarHBondContact O-CB 3.27Å; P167-T321 PolarHBondContact O-OG1 3.13Å; P167-P357 HydrophobicContact CB-CB 4.36Å; P167-P357 HydrophobicContact CB-CG 4.07Å; P167-P357 HydrophobicContact CG-CB 4.05Å; P167-P357 HydrophobicContact CG-CG 4.23Å; P167-I375 HydrophobicContact CG-CD1 4.12Å; P167-I375 HydrophobicContact CG-CG1 4.16Å; P167-L379 HydrophobicContact CB-CD2 4.43Å; P167-L379 HydrophobicContact CG-CD2 3.9Å
168M96.2Very high98.3Very high15 Ų1511.8 Ų11.87%0.0746%0.061CC..THydrogen-bonded Turntrans-80.2-2.4-166.1-56.7-63.8-62.400114.4D117 T165 K170 I296 Y323 L373 I375 L379D117-M168 WeakPolarHBondContact OD2-CB 3.46Å; D117-M168 WeakPolarHBondContact OD2-CG 3.45Å; D117-M168 PolarHBondContact OD2-N 3.31Å; T165-M168 PolarHBondContact O-N 2.82Å; M168-K170 HydrophobicContact CB-CG 4.29Å; M168-K170 PolarHBondContact O-N 3.47Å; M168-K170 VanDerWaalsContact O-N 3.13Å; M168-I296 HydrophobicContact CE-CD1 4.09Å; M168-I296 WeakPolarHBondContact O-CG2 3.48Å; M168-Y323 WeakPolarHBondContact CE-OH 3.44Å; M168-L373 VanDerWaalsContact CE-O 3.24Å; M168-L373 WeakPolarHBondContact CE-O 3.39Å; M168-L373 WeakPolarHBondContact CG-O 3.45Å; M168-I375 HydrophobicContact CG-CG1 4.41Å; M168-I375 HydrophobicContact SD-CG1 4.05Å; M168-L379 HydrophobicContact SD-CD1 4.2Å; M168-L379 HydrophobicContact SD-CD2 4.06Å
169M97.9Very high98.2Very high0 Ų015.5 Ų15.50%08%0.081CC..  trans56.426.5177.2-57-69.9-69.200113.6P164 T165 P167 V171 F196 I296 P298 H303 P317 M319P164-M169 HydrophobicContact CB-CB 4.21Å; P164-M169 HydrophobicContact CB-CE 3.85Å; P164-M169 HydrophobicContact CB-SD 4.04Å; P164-M169 HydrophobicContact CG-CE 4.1Å; T165-M169 VanDerWaalsContact O-CA 3.23Å; T165-M169 WeakPolarHBondContact O-CA 3.25Å; T165-M169 PolarHBondContact O-N 3.28Å; T165-M169 PolarHBondContact OG1-N 3.13Å; P167-M169 PolarHBondContact O-N 2.86Å; M169-V171 PolarHBondContact O-N 2.9Å; M169-F196 HydrophobicContact CE-CD2 4.24Å; M169-F196 HydrophobicContact SD-CD2 3.52Å; M169-F196 VanDerWaalsContact SD-CD2 3.52Å; M169-F196 HydrophobicContact SD-CE2 3.38Å; M169-F196 WeakPolarHBondContact SD-CE2 3.39Å; M169-I296 HydrophobicContact CB-CG2 3.84Å; M169-P298 HydrophobicContact CB-CG 4.24Å; M169-P298 VanDerWaalsContact CE-CD 3.41Å; M169-P298 HydrophobicContact CE-CG 3.7Å; M169-H303 PolarHBondContact O-CE1 3.44Å; M169-H303 PolarHBondContact O-NE2 2.79Å; M169-H303 VanDerWaalsContact O-NE2 3.13Å; M169-P317 HydrophobicContact CE-CG 4.4Å; M169-M319 HydrophobicContact CE-CB 3.8Å; M169-M319 WeakPolarHBondContact CE-O 3.33Å; M169-M319 HydrophobicContact SD-CB 3.87Å
170K98.4Very high98.2Very high39 Ų3916.9 Ų16.917%0.179%0.088CC..  trans-60.4133.7173.8-62.8-179.9-173.3179.80108.6M115 D116 D117 T143 P164 T165 M168M115-K170 HydrophobicContact CE-CB 4.14Å; M115-K170 HydrophobicContact CE-CD 3.55Å; D116-K170 IonicContact OD1-NZ 3.81Å; D116-K170 PolarHBondContact OD1-NZ 2.83Å; D116-K170 IonicContact OD2-NZ 2.97Å; D116-K170 PolarHBondContact OD2-NZ 2.91Å; D117-K170 HydrophobicContact CB-CD 4.17Å; T143-K170 HydrophobicContact CG2-CB 3.91Å; T143-K170 HydrophobicContact CG2-CD 4.35Å; P164-K170 CarbonylContact C-O 3.53Å; P164-K170 VanDerWaalsContact CA-O 3.24Å; P164-K170 WeakPolarHBondContact CA-O 3.23Å; T165-K170 HydrophobicContact CG2-CB 3.91Å; T165-K170 PolarHBondContact N-O 3.04Å; T165-K170 WeakPolarHBondContact OG1-CB 3.38Å; T165-K170 PolarHBondContact OG1-N 3.33Å; M168-K170 HydrophobicContact CB-CG 4.29Å; M168-K170 PolarHBondContact O-N 3.47Å; M168-K170 VanDerWaalsContact O-N 3.13Å
171V98.8Very high98.2Very high1 Ų116.9 Ų16.91%0.0069%0.088CC..  trans-104.9127.5178.7-178.70000109.6P164 M169 P298 Q305 L308 M309 Q312P164-V171 HydrophobicContact CB-CG2 4.36Å; P164-V171 HydrophobicContact CG-CG2 4.25Å; M169-V171 PolarHBondContact O-N 2.9Å; V171-P298 HydrophobicContact CG2-CB 4.16Å; V171-P298 HydrophobicContact CG2-CG 4.12Å; V171-Q305 HydrophobicContact CB-CB 3.72Å; V171-Q305 HydrophobicContact CB-CG 4.27Å; V171-Q305 HydrophobicContact CG1-CB 4.42Å; V171-Q305 HydrophobicContact CG2-CB 4.31Å; V171-L308 HydrophobicContact CG1-CD2 3.98Å; V171-L308 HydrophobicContact CG1-CG 4.15Å; V171-M309 HydrophobicContact CG1-SD 4.29Å; V171-M309 HydrophobicContact CG2-SD 4.08Å; V171-Q312 VanDerWaalsContact CG1-NE2 3.27Å
172V98.8Very high98.2Very high0 Ų019.1 Ų19.10%010%0.098CC..  trans-102138.4179.4178.40000109.4M115 C142 T143 I161 T163 I174 C177 Q312M115-V172 HydrophobicContact CE-CG2 4.19Å; M115-V172 HydrophobicContact SD-CG2 4.08Å; C142-V172 HydrophobicContact CB-CG1 4.1Å; C142-V172 HydrophobicContact CB-CG2 4.21Å; C142-V172 WeakPolarHBondContact O-CG1 3.5Å; T143-V172 HydrophobicContact CG2-CG2 4.03Å; I161-V172 HydrophobicContact CD1-CG1 4.33Å; I161-V172 HydrophobicContact CG2-CB 3.84Å; I161-V172 HydrophobicContact CG2-CG1 3.8Å; I161-V172 HydrophobicContact CG2-CG2 4.02Å; T163-V172 HydrophobicContact CG2-CB 4.37Å; T163-V172 PolarHBondContact OG1-N 2.78Å; V172-I174 PolarHBondContact O-N 3.27Å; V172-I174 VanDerWaalsContact O-N 3.08Å; V172-C177 HydrophobicContact CG1-CB 4.39Å; V172-C177 WeakPolarHBondContact CG1-SG 3.42Å; V172-Q312 PolarHBondContact O-NE2 3.35Å; V172-Q312 PolarHBondContact O-OE1 2.89Å
173D98.8Very high98.2Very high43 Ų4326.8 Ų26.823%0.2313%0.134CC..  trans-76.796173.4-172.9-32.3000108.2K175 A176 C177 L308D173-K175 PolarHBondContact O-N 3.38Å; D173-K175 PolarHBondContact OD1-N 3.46Å; D173-K175 VanDerWaalsContact OD1-N 3.17Å; D173-A176 HydrophobicContact CB-CB 3.89Å; D173-A176 PolarHBondContact O-N 2.82Å; D173-A176 PolarHBondContact OD1-N 3.31Å; D173-C177 WeakPolarHBondContact O-CB 3.34Å; D173-C177 PolarHBondContact O-N 3.29Å; D173-C177 PolarHBondContact O-SG 3.3Å; D173-L308 HydrophobicContact CB-CD1 3.75Å; D173-L308 HydrophobicContact CB-CD2 3.81Å; D173-L308 HydrophobicContact CB-CG 4.43Å
174I98.9Very high98.1Very high0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-57.1-42-174.5-63.7169.8000110T163 V172 C177 S178 V192 Q202 P204 L207 A209T163-I174 HydrophobicContact CG2-CD1 3.75Å; T163-I174 HydrophobicContact CG2-CG1 3.72Å; V172-I174 PolarHBondContact O-N 3.27Å; V172-I174 VanDerWaalsContact O-N 3.08Å; I174-C177 PolarHBondContact O-N 3.29Å; I174-S178 VanDerWaalsContact O-CB 3.3Å; I174-S178 WeakPolarHBondContact O-CB 3.36Å; I174-S178 PolarHBondContact O-N 3.47Å; I174-S178 PolarHBondContact O-OG 2.94Å; I174-V192 HydrophobicContact CD1-CG1 4.07Å; I174-V192 HydrophobicContact CD1-CG2 4.39Å; I174-V192 HydrophobicContact CG1-CG2 4.27Å; I174-V192 HydrophobicContact CG2-CG2 3.96Å; I174-Q202 HydrophobicContact CD1-CG 4.19Å; I174-Q202 VanDerWaalsContact CD1-NE2 3.33Å; I174-P204 HydrophobicContact CD1-CB 4.25Å; I174-P204 HydrophobicContact CD1-CG 4.28Å; I174-L207 HydrophobicContact CB-CB 3.95Å; I174-L207 HydrophobicContact CB-CD1 4.09Å; I174-L207 HydrophobicContact CD1-CD1 3.77Å; I174-L207 HydrophobicContact CG1-CD1 4.45Å; I174-L207 HydrophobicContact CG2-CB 3.62Å; I174-L207 HydrophobicContact CG2-CD1 4.44Å; I174-A209 HydrophobicContact CG2-CB 4.37Å
175K98.8Very high98Very high101 Ų10132.9 Ų32.944%0.43917%0.166SC..Hα-helixtrans-66.7-48.6-177.8177.6163.5175.341.50111.5D173 C177 S178 D179 L207D173-K175 PolarHBondContact O-N 3.38Å; D173-K175 PolarHBondContact OD1-N 3.46Å; D173-K175 VanDerWaalsContact OD1-N 3.17Å; K175-C177 VanDerWaalsContact C-N 3.31Å; K175-C177 PolarHBondContact O-N 3.14Å; K175-S178 PolarHBondContact O-N 3.43Å; K175-D179 WeakPolarHBondContact CG-OD2 3.41Å; K175-D179 IonicContact NZ-OD1 2.72Å; K175-D179 PolarHBondContact NZ-OD1 3.08Å; K175-D179 IonicContact NZ-OD2 2.81Å; K175-D179 PolarHBondContact NZ-OD2 3.16Å; K175-D179 WeakPolarHBondContact O-CB 3.47Å; K175-D179 PolarHBondContact O-N 2.96Å; K175-L207 WeakPolarHBondContact CA-O 3.47Å; K175-L207 WeakPolarHBondContact CB-O 3.42Å
176A98.6Very high97.9Very high34 Ų3441.7 Ų41.728%0.28121%0.205SC..Hα-helixtrans-62.3-40.8179.400000111.8D173 L180D173-A176 HydrophobicContact CB-CB 3.89Å; D173-A176 PolarHBondContact O-N 2.82Å; D173-A176 PolarHBondContact OD1-N 3.31Å; A176-L180 WeakPolarHBondContact O-CB 3.4Å; A176-L180 PolarHBondContact O-N 3.14Å
177C98.8Very high97.9Very high2 Ų246.9 Ų46.91%0.01423%0.232CC..Hα-helixtrans-66.3-46.9177-71.30000112.3C142 L148 I161 V172 D173 I174 K175 L180 V181C142-C177 PolarHBondContact O-SG 3.28Å; L148-C177 HydrophobicContact CD2-CB 3.75Å; I161-C177 HydrophobicContact CD1-CB 3.67Å; V172-C177 HydrophobicContact CG1-CB 4.39Å; V172-C177 WeakPolarHBondContact CG1-SG 3.42Å; D173-C177 WeakPolarHBondContact O-CB 3.34Å; D173-C177 PolarHBondContact O-N 3.29Å; D173-C177 PolarHBondContact O-SG 3.3Å; I174-C177 PolarHBondContact O-N 3.29Å; K175-C177 VanDerWaalsContact C-N 3.31Å; K175-C177 PolarHBondContact O-N 3.14Å; C177-L180 PolarHBondContact O-N 2.97Å; C177-V181 WeakPolarHBondContact O-CB 3.23Å; C177-V181 VanDerWaalsContact O-CG2 3.24Å; C177-V181 WeakPolarHBondContact O-CG2 3.42Å; C177-V181 PolarHBondContact O-N 2.91Å
178S98.8Very high98.1Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-60.1-49.1176.9-77.80000112I174 K175 L180 V181 H182 G208 A209I174-S178 VanDerWaalsContact O-CB 3.3Å; I174-S178 WeakPolarHBondContact O-CB 3.36Å; I174-S178 PolarHBondContact O-N 3.47Å; I174-S178 PolarHBondContact O-OG 2.94Å; K175-S178 PolarHBondContact O-N 3.43Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 3.16Å; S178-V181 PolarHBondContact O-N 3.44Å; S178-H182 WeakPolarHBondContact O-CB 3.33Å; S178-H182 VanDerWaalsContact O-CG 3.3Å; S178-H182 PolarHBondContact O-N 3.25Å; S178-H182 PolarHBondContact O-ND1 2.93Å; S178-G208 VanDerWaalsContact CB-O 3.22Å; S178-G208 WeakPolarHBondContact CB-O 3.24Å; S178-G208 PolarHBondContact OG-O 3.12Å; S178-A209 PolarHBondContact OG-N 3.37Å
179D98.8Very high98.3Very high78 Ų7847.1 Ų47.142%0.41724%0.235SC..Hα-helixtrans-57.3-45.1178.3-69.1-17.4000110.8K175 H182 E183K175-D179 WeakPolarHBondContact CG-OD2 3.41Å; K175-D179 IonicContact NZ-OD1 2.72Å; K175-D179 PolarHBondContact NZ-OD1 3.08Å; K175-D179 IonicContact NZ-OD2 2.81Å; K175-D179 PolarHBondContact NZ-OD2 3.16Å; K175-D179 WeakPolarHBondContact O-CB 3.47Å; K175-D179 PolarHBondContact O-N 2.96Å; D179-H182 PolarHBondContact O-N 2.82Å; D179-E183 WeakPolarHBondContact O-CB 3.42Å; D179-E183 PolarHBondContact O-N 3.49Å
180L98.6Very high98.3Very high30 Ų3047.1 Ų47.116%0.15724%0.235CC..Hα-helixtrans-63.7-44.2179-177159000112.3P145 L148 K149 L152 A176 C177 S178 E183 H184P145-L180 HydrophobicContact CB-CD1 3.88Å; P145-L180 WeakPolarHBondContact O-CD1 3.43Å; L148-L180 HydrophobicContact CD2-CD2 4.21Å; L148-L180 HydrophobicContact CG-CD2 4.09Å; K149-L180 HydrophobicContact CB-CD1 4.27Å; K149-L180 HydrophobicContact CB-CD2 4.21Å; L152-L180 HydrophobicContact CD1-CD2 3.69Å; A176-L180 WeakPolarHBondContact O-CB 3.4Å; A176-L180 PolarHBondContact O-N 3.14Å; C177-L180 PolarHBondContact O-N 2.97Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 3.16Å; L180-E183 PolarHBondContact O-N 3.14Å; L180-H184 PolarHBondContact O-N 2.86Å; L180-H184 VanDerWaalsContact O-N 3.14Å
181V98.8Very high98.3Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-66-44.5179.3170.60000110.8L148 L152 V159 C177 S178 E183 H184 S185 I188 V190L148-V181 HydrophobicContact CD1-CG2 4.46Å; L148-V181 HydrophobicContact CD2-CG2 4.15Å; L152-V181 HydrophobicContact CD2-CG2 4.46Å; V159-V181 HydrophobicContact CB-CG2 4.26Å; V159-V181 HydrophobicContact CG1-CG2 4.33Å; V159-V181 HydrophobicContact CG2-CG1 3.92Å; V159-V181 HydrophobicContact CG2-CG2 3.7Å; C177-V181 WeakPolarHBondContact O-CB 3.23Å; C177-V181 VanDerWaalsContact O-CG2 3.24Å; C177-V181 WeakPolarHBondContact O-CG2 3.42Å; C177-V181 PolarHBondContact O-N 2.91Å; S178-V181 PolarHBondContact O-N 3.44Å; V181-E183 VanDerWaalsContact C-N 3.35Å; V181-H184 WeakPolarHBondContact O-CB 3.4Å; V181-H184 PolarHBondContact O-N 2.94Å; V181-S185 PolarHBondContact O-N 3.16Å; V181-I188 HydrophobicContact CG1-CB 3.6Å; V181-I188 HydrophobicContact CG1-CD1 4.23Å; V181-I188 HydrophobicContact CG1-CG2 3.36Å; V181-V190 HydrophobicContact CB-CG2 3.78Å; V181-V190 HydrophobicContact CG1-CG2 3.54Å; V181-V190 HydrophobicContact CG2-CG2 4.25Å
182H98.6Very high98.3Very high47 Ų4745.2 Ų45.222%0.21823%0.226CC..Hα-helixtrans-73.1-25.8-179.9-63.7158.7000113.1S178 D179 S185 K186 G208 D210S178-H182 WeakPolarHBondContact O-CB 3.33Å; S178-H182 VanDerWaalsContact O-CG 3.3Å; S178-H182 PolarHBondContact O-N 3.25Å; S178-H182 PolarHBondContact O-ND1 2.93Å; D179-H182 PolarHBondContact O-N 2.82Å; H182-S185 CarbonylContact O-C 3.5Å; H182-K186 PolarHBondContact O-N 2.87Å; H182-G208 PolarHBondContact CE1-O 2.79Å; H182-D210 IonicContact CE1-OD1 3.59Å; H182-D210 IonicContact CE1-OD2 2.71Å; H182-D210 IonicContact NE2-OD1 3.27Å; H182-D210 IonicContact NE2-OD2 2.72Å; H182-D210 PolarHBondContact NE2-OD2 2.84Å
183E98.1Very high98.3Very high167 Ų16745.7 Ų45.778%0.7823%0.228SC*.Hα-helixtrans-64.9-40.8167.3-174.2-173.8164.600111D179 L180 V181D179-E183 WeakPolarHBondContact O-CB 3.42Å; D179-E183 PolarHBondContact O-N 3.49Å; L180-E183 PolarHBondContact O-N 3.14Å; V181-E183 VanDerWaalsContact C-N 3.35Å
184H96.9Very high98.3Very high94 Ų9443.6 Ų43.644%0.43522%0.218SC..Hα-helixtrans-66.5-48.1175.5-175.195.9000111.8L152 L180 V181L152-H184 HydrophobicContact CD1-CB 3.76Å; L180-H184 PolarHBondContact O-N 2.86Å; L180-H184 VanDerWaalsContact O-N 3.14Å; V181-H184 WeakPolarHBondContact O-CB 3.4Å; V181-H184 PolarHBondContact O-N 2.94Å
185S97.8Very high98.3Very high35 Ų3544.1 Ų44.125%0.24522%0.22CC..  trans-165130.8171.3176.50000111.3V181 H182 D187 I188V181-S185 PolarHBondContact O-N 3.16Å; H182-S185 CarbonylContact O-C 3.5Å; S185-D187 PolarHBondContact O-N 2.69Å; S185-D187 PolarHBondContact OG-N 2.91Å; S185-I188 PolarHBondContact O-N 2.95Å
186K95.4Very high98.3Very high185 Ų18539.6 Ų39.680%0.80420%0.201SC*.THydrogen-bonded Turntrans-68.2-12.3174.5-63.1-175.2178.8-178.40113.9H182 I188H182-K186 PolarHBondContact O-N 2.87Å; K186-I188 VanDerWaalsContact C-N 3.3Å
187D96.3Very high98.4Very high113 Ų11338 Ų3860%0.60419%0.188SC*.THydrogen-bonded Turntrans-83.2-9.4178.2-63.9-18.3000112.7K157 S185K157-D187 IonicContact NZ-OD2 3.76Å; S185-D187 PolarHBondContact O-N 2.69Å; S185-D187 PolarHBondContact OG-N 2.91Å
188I98.7Very high98.3Very high2 Ų237.9 Ų37.91%0.0119%0.187CC..SBendtrans-83.5122.5179.2-59.2172.5000108.6L152 T156 V159 V181 S185 K186L152-I188 HydrophobicContact CD2-CD1 4.29Å; T156-I188 HydrophobicContact CG2-CD1 4.05Å; T156-I188 HydrophobicContact CG2-CG1 4.43Å; T156-I188 HydrophobicContact CG2-CG2 4.12Å; T156-I188 WeakPolarHBondContact O-CG1 3.28Å; V159-I188 HydrophobicContact CG2-CG2 3.78Å; V181-I188 HydrophobicContact CG1-CB 3.6Å; V181-I188 HydrophobicContact CG1-CD1 4.23Å; V181-I188 HydrophobicContact CG1-CG2 3.36Å; S185-I188 PolarHBondContact O-N 2.95Å; K186-I188 VanDerWaalsContact C-N 3.3Å
189V98.9Very high98.3Very high19 Ų1937.9 Ų37.912%0.11519%0.187CC..EExtended strand (participates in β ladder)trans-81.7125.6176.4178.50000109.3K157 L158 V159 V191 D210 I211 L238K157-V189 PolarHBondContact O-N 3.37Å; L158-V189 WeakPolarHBondContact CA-O 3.42Å; L158-V189 HydrophobicContact CD1-CB 4.01Å; L158-V189 HydrophobicContact CD1-CG1 4.12Å; V159-V189 PolarHBondContact N-O 3.48Å; V189-V191 HydrophobicContact CG1-CG2 4.16Å; V189-D210 HydrophobicContact CG1-CB 3.97Å; V189-I211 HydrophobicContact CG1-CD1 3.74Å; V189-I211 HydrophobicContact CG1-CG1 4.04Å; V189-L238 HydrophobicContact CG1-CD2 4.33Å; V189-L238 HydrophobicContact CG2-CD1 4.21Å
190V98.9Very high98.3Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-97.3116.3171.9-1770000109.5I161 V181 D210 I211I161-V190 HydrophobicContact CD1-CG1 4.24Å; V181-V190 HydrophobicContact CB-CG2 3.78Å; V181-V190 HydrophobicContact CG1-CG2 3.54Å; V181-V190 HydrophobicContact CG2-CG2 4.25Å; V190-D210 PolarHBondContact N-OD2 3.44Å; V190-D210 PolarHBondContact O-N 3.45Å; V190-I211 PolarHBondContact O-N 2.87Å; V190-I211 VanDerWaalsContact O-N 3.09Å
191V98.9Very high98.3Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-104.1132.2174.9-175.70000109I102 L158 V159 W160 I161 V189 I211 M213I102-V191 HydrophobicContact CD1-CG1 4.31Å; I102-V191 HydrophobicContact CG2-CG2 3.87Å; L158-V191 HydrophobicContact CD1-CG2 3.57Å; V159-V191 PolarHBondContact O-N 3.21Å; W160-V191 HydrophobicContact CD2-CB 4.33Å; W160-V191 HydrophobicContact CD2-CG1 4.16Å; W160-V191 HydrophobicContact CE3-CB 3.93Å; W160-V191 HydrophobicContact CE3-CG1 3.79Å; W160-V191 HydrophobicContact CE3-CG2 4.17Å; W160-V191 HydrophobicContact CH2-CG1 4.01Å; W160-V191 HydrophobicContact CZ2-CG1 4.37Å; W160-V191 HydrophobicContact CZ3-CB 4.3Å; W160-V191 HydrophobicContact CZ3-CG1 3.73Å; W160-V191 HydrophobicContact CZ3-CG2 4.39Å; I161-V191 PolarHBondContact N-O 3.44Å; V189-V191 HydrophobicContact CG1-CG2 4.16Å; V191-I211 WeakPolarHBondContact CA-O 3.34Å; V191-I211 HydrophobicContact CB-CB 4.45Å; V191-I211 HydrophobicContact CG1-CB 4.32Å; V191-I211 HydrophobicContact CG1-CG2 4.06Å; V191-I211 HydrophobicContact CG2-CB 4.06Å; V191-I211 HydrophobicContact CG2-CD1 4.2Å; V191-I211 HydrophobicContact CG2-CG2 4.43Å; V191-M213 HydrophobicContact CG1-CB 4.07Å
192V98.9Very high98.3Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-113.1117166.5178.40000109I161 T163 I174 N194 P204 A209 I211 M213I161-V192 HydrophobicContact CB-CG2 4.42Å; I161-V192 CarbonylContact O-C 3.49Å; I161-V192 WeakPolarHBondContact O-CA 3.49Å; T163-V192 HydrophobicContact CG2-CG1 4.07Å; I174-V192 HydrophobicContact CD1-CG1 4.07Å; I174-V192 HydrophobicContact CD1-CG2 4.39Å; I174-V192 HydrophobicContact CG1-CG2 4.27Å; I174-V192 HydrophobicContact CG2-CG2 3.96Å; V192-N194 PolarHBondContact O-N 3.27Å; V192-P204 HydrophobicContact CB-CB 3.64Å; V192-P204 HydrophobicContact CB-CG 3.9Å; V192-P204 HydrophobicContact CG1-CB 3.88Å; V192-P204 HydrophobicContact CG1-CG 3.62Å; V192-P204 HydrophobicContact CG2-CB 3.95Å; V192-A209 HydrophobicContact CB-CB 4.38Å; V192-A209 HydrophobicContact CG2-CB 3.73Å; V192-I211 PolarHBondContact N-O 2.84Å; V192-M213 PolarHBondContact O-N 2.98Å
193D98.9Very high98.3Very high9 Ų933.4 Ų33.45%0.04816%0.16CC..EExtended strand (participates in β ladder)trans-73.7109.7162.8-171.6-28.4000108.3W160 I161 E162 T195 M213W160-D193 HydrophobicContact CZ2-CB 4.26Å; I161-D193 PolarHBondContact O-N 3.2Å; E162-D193 HydrophobicContact CB-CB 4.33Å; E162-D193 HydrophobicContact CG-CB 4.17Å; D193-T195 WeakPolarHBondContact OD1-CB 3.37Å; D193-T195 PolarHBondContact OD1-N 3.36Å; D193-T195 PolarHBondContact OD1-OG1 2.72Å; D193-M213 HydrophobicContact CB-SD 4.27Å
194N98.9Very high98.4Very high0 Ų025.5 Ų25.50%012%0.123CC..  trans-104.417.2-173.8-161.941.6000111.8V192 F196 M197 S198 Q202 P204 C212 M213 Y214V192-N194 PolarHBondContact O-N 3.27Å; N194-F196 VanDerWaalsContact C-N 3.3Å; N194-F196 PolarHBondContact O-N 3.02Å; N194-M197 PolarHBondContact O-N 3.09Å; N194-M197 WeakPolarHBondContact OD1-CB 3.19Å; N194-S198 PolarHBondContact ND2-O 3.35Å; N194-S198 VanDerWaalsContact ND2-O 3.15Å; N194-S198 PolarHBondContact O-N 2.96Å; N194-Q202 PolarHBondContact ND2-O 2.6Å; N194-Q202 WeakPolarHBondContact OD1-CB 3.16Å; N194-Q202 PolarHBondContact OD1-OE1 3.15Å; N194-Q202 VanDerWaalsContact OD1-OE1 3.05Å; N194-P204 HydrophobicContact CB-CG 3.89Å; N194-P204 WeakPolarHBondContact ND2-CD 3.24Å; N194-C212 VanDerWaalsContact CB-SG 3.54Å; N194-M213 PolarHBondContact N-O 3.16Å; N194-Y214 HydrophobicContact CB-CD1 4.14Å; N194-Y214 HydrophobicContact CB-CE1 3.55Å; N194-Y214 WeakPolarHBondContact ND2-CE1 3.25Å; N194-Y214 PolarHBondContact ND2-OH 3.03Å; N194-Y214 WeakPolarHBondContact O-CE1 3.32Å
195T98.9Very high98.5Very high10 Ų1021.9 Ų21.96%0.06111%0.107CC..THydrogen-bonded Turntrans-53.4-44-174.9-65.50000112.9D193 S215 K218D193-T195 WeakPolarHBondContact OD1-CB 3.37Å; D193-T195 PolarHBondContact OD1-N 3.36Å; D193-T195 PolarHBondContact OD1-OG1 2.72Å; T195-S215 PolarHBondContact OG1-N 3.17Å; T195-K218 HydrophobicContact CG2-CB 3.81Å; T195-K218 HydrophobicContact CG2-CG 3.51Å
196F98.8Very high98.5Very high7 Ų723.7 Ų23.73%0.03112%0.124CC..THydrogen-bonded Turntrans-67.4-37.4-177.2-89.527.1000112P164 N166 M169 N194 Y219 P317 M319 L347P164-F196 HydrophobicContact CB-CD2 4.46Å; N166-F196 HydrophobicContact CB-CE1 3.86Å; N166-F196 HydrophobicContact CB-CE2 4.12Å; N166-F196 HydrophobicContact CB-CZ 3.45Å; N166-F196 VanDerWaalsContact CB-CZ 3.45Å; M169-F196 HydrophobicContact CE-CD2 4.24Å; M169-F196 HydrophobicContact SD-CD2 3.52Å; M169-F196 VanDerWaalsContact SD-CD2 3.52Å; M169-F196 HydrophobicContact SD-CE2 3.38Å; M169-F196 WeakPolarHBondContact SD-CE2 3.39Å; N194-F196 VanDerWaalsContact C-N 3.3Å; N194-F196 PolarHBondContact O-N 3.02Å; F196-Y219 WeakPolarHBondContact O-CD2 3.24Å; F196-Y219 VanDerWaalsContact O-CE2 3.28Å; F196-Y219 WeakPolarHBondContact O-CE2 3.44Å; F196-P317 WeakPolarHBondContact O-CB 3.33Å; F196-M319 HydrophobicContact CD1-CG 4.42Å; F196-M319 HydrophobicContact CD2-CB 4.12Å; F196-M319 HydrophobicContact CD2-CG 3.86Å; F196-M319 HydrophobicContact CE2-CB 4.1Å; F196-M319 HydrophobicContact CE2-CE 4.47Å; F196-M319 HydrophobicContact CE2-CG 3.96Å; F196-M319 HydrophobicContact CG-CG 4.08Å; F196-M319 HydrophobicContact CZ-CE 4.12Å; F196-M319 HydrophobicContact CZ-CG 4.27Å; F196-L347 HydrophobicContact CD1-CD1 4.09Å; F196-L347 HydrophobicContact CD1-CD2 4.34Å; F196-L347 HydrophobicContact CE1-CD1 3.96Å; F196-L347 HydrophobicContact CE1-CD2 3.41Å; F196-L347 VanDerWaalsContact CE1-CD2 3.41Å; F196-L347 HydrophobicContact CE1-CG 4.35Å; F196-L347 HydrophobicContact CZ-CD2 3.91Å
197M98.8Very high98.7Very high0 Ų015.8 Ų15.80%09%0.091CC..THydrogen-bonded Turntrans-86.8-25.6-173.1-61.9-50.4-62.100113.6P164 N194 F201 Q202 M309 C313 G315 P317P164-M197 WeakPolarHBondContact CD-SD 3.5Å; P164-M197 HydrophobicContact CG-SD 3.83Å; N194-M197 PolarHBondContact O-N 3.09Å; N194-M197 WeakPolarHBondContact OD1-CB 3.19Å; M197-F201 HydrophobicContact CB-CB 4.5Å; M197-F201 HydrophobicContact CE-CB 3.49Å; M197-F201 VanDerWaalsContact CE-CB 3.49Å; M197-F201 HydrophobicContact CE-CG 4.42Å; M197-F201 WeakPolarHBondContact O-CB 3.45Å; M197-Q202 HydrophobicContact CB-CB 3.65Å; M197-Q202 HydrophobicContact CG-CB 3.96Å; M197-M309 HydrophobicContact CE-CE 3.23Å; M197-M309 HydrophobicContact SD-CE 3.6Å; M197-C313 HydrophobicContact CE-CB 4.16Å; M197-G315 WeakPolarHBondContact CE-O 3.35Å; M197-P317 HydrophobicContact SD-CB 4.44Å; M197-P317 VanDerWaalsContact SD-CD 3.59Å; M197-P317 HydrophobicContact SD-CG 3.8Å
198S98.5Very high98.8Very high0 Ų011.7 Ų11.70%08%0.075CC..Hα-helixtrans57.5173.3-161.882.50000112.6N194 Y200 Q202N194-S198 PolarHBondContact ND2-O 3.35Å; N194-S198 VanDerWaalsContact ND2-O 3.15Å; N194-S198 PolarHBondContact O-N 2.96Å; S198-Y200 PolarHBondContact O-N 2.95Å; S198-Y200 WeakPolarHBondContact OG-CB 3.33Å; S198-Y200 PolarHBondContact OG-N 3.02Å; S198-Y200 VanDerWaalsContact OG-N 3.17Å; S198-Q202 PolarHBondContact O-N 3.4Å
199S98.1Very high98.8Very high0 Ų012 Ų120%08%0.078CC..Hα-helixtrans-66.3-13.9173.755.70000113.6F20 F23 L83 D84 Y214F20-S199 WeakPolarHBondContact CE2-O 3.46Å; F23-S199 VanDerWaalsContact CE2-O 3.3Å; F23-S199 WeakPolarHBondContact CE2-O 3.33Å; F23-S199 WeakPolarHBondContact CZ-OG 3.43Å; L83-S199 WeakPolarHBondContact CB-OG 3.29Å; D84-S199 WeakPolarHBondContact OD1-CB 3.34Å; S199-Y214 WeakPolarHBondContact CA-OH 3.26Å; S199-Y214 WeakPolarHBondContact CB-OH 3.47Å; S199-Y214 PolarHBondContact N-OH 3.43Å
200Y98.8Very high98.8Very high19 Ų1913 Ų138%0.0758%0.083CC..Hα-helixtrans-75.7-42.4-178.2-169.9-120.3000113F20 F23 S198 H269 M272 E273 T314F20-Y200 WeakPolarHBondContact CD2-O 3.24Å; F20-Y200 VanDerWaalsContact CE2-O 3.28Å; F20-Y200 WeakPolarHBondContact CE2-O 3.5Å; F23-Y200 HydrophobicContact CB-CD2 4.48Å; F23-Y200 HydrophobicContact CB-CE2 4.45Å; F23-Y200 AromaticContact CD1-CD2 3.4Å; F23-Y200 HydrophobicContact CD1-CD2 3.4Å; F23-Y200 AromaticContact CD1-CE2 3.85Å; F23-Y200 HydrophobicContact CD1-CE2 3.85Å; F23-Y200 HydrophobicContact CD2-CD2 4.12Å; F23-Y200 AromaticContact CE1-CD2 3.47Å; F23-Y200 HydrophobicContact CE1-CD2 3.47Å; F23-Y200 VanDerWaalsContact CE1-CD2 3.47Å; F23-Y200 HydrophobicContact CE1-CE2 4.31Å; F23-Y200 HydrophobicContact CE1-CG 4.2Å; F23-Y200 HydrophobicContact CE2-CD2 4.18Å; F23-Y200 AromaticContact CG-CD2 3.74Å; F23-Y200 HydrophobicContact CG-CD2 3.74Å; F23-Y200 HydrophobicContact CG-CE2 4.15Å; F23-Y200 AromaticContact CZ-CD2 3.86Å; F23-Y200 HydrophobicContact CZ-CD2 3.86Å; F23-Y200 HydrophobicContact CZ-CG 4.34Å; S198-Y200 PolarHBondContact O-N 2.95Å; S198-Y200 WeakPolarHBondContact OG-CB 3.33Å; S198-Y200 PolarHBondContact OG-N 3.02Å; S198-Y200 VanDerWaalsContact OG-N 3.17Å; Y200-H269 HydrophobicContact CD2-CB 4.09Å; Y200-H269 HydrophobicContact CE2-CB 3.69Å; Y200-M272 HydrophobicContact CD1-CB 3.55Å; Y200-M272 HydrophobicContact CD1-CG 4.33Å; Y200-M272 HydrophobicContact CE1-CB 4.29Å; Y200-M272 HydrophobicContact CG-CB 4.23Å; Y200-E273 HydrophobicContact CE1-CG 3.79Å; Y200-E273 PolarHBondContact OH-OE1 3.24Å; Y200-T314 PolarHBondContact O-OG1 3.02Å
201F98.9Very high98.8Very high1 Ų113 Ų130%0.0048%0.083CC..Hα-helixtrans-98.1-18.7-174.3-68.7-42.2000114.8F13 M197 M272 F276 C313 T314 C316F13-F201 HydrophobicContact CE1-CE1 4.12Å; M197-F201 HydrophobicContact CB-CB 4.5Å; M197-F201 HydrophobicContact CE-CB 3.49Å; M197-F201 VanDerWaalsContact CE-CB 3.49Å; M197-F201 HydrophobicContact CE-CG 4.42Å; M197-F201 WeakPolarHBondContact O-CB 3.45Å; F201-M272 HydrophobicContact CD2-CB 4.3Å; F201-M272 HydrophobicContact CD2-CE 3.56Å; F201-M272 HydrophobicContact CE2-CB 3.68Å; F201-M272 HydrophobicContact CE2-CE 3.65Å; F201-M272 WeakPolarHBondContact CE2-O 3.49Å; F201-M272 HydrophobicContact CZ-CB 3.89Å; F201-M272 VanDerWaalsContact CZ-O 3.25Å; F201-M272 WeakPolarHBondContact CZ-O 3.3Å; F201-F276 HydrophobicContact CE2-CB 4.2Å; F201-F276 HydrophobicContact CZ-CB 3.88Å; F201-F276 HydrophobicContact CZ-CD1 4.23Å; F201-F276 HydrophobicContact CZ-CG 4.41Å; F201-C313 CarbonylContact O-C 3.6Å; F201-C313 WeakPolarHBondContact O-CA 3.41Å; F201-C313 WeakPolarHBondContact O-CB 3.26Å; F201-T314 VanDerWaalsContact CA-OG1 3.31Å; F201-T314 WeakPolarHBondContact CA-OG1 3.41Å; F201-T314 PolarHBondContact O-N 2.99Å; F201-C316 WeakPolarHBondContact CE2-O 3.25Å
202Q98.9Very high98.8Very high0 Ų013 Ų130%08%0.083CC..  trans-148.4138.4179.9-170169.855.500111.1T163 I174 N194 M197 S198 P204 L207 C313T163-Q202 PolarHBondContact O-OE1 3.26Å; I174-Q202 HydrophobicContact CD1-CG 4.19Å; I174-Q202 VanDerWaalsContact CD1-NE2 3.33Å; N194-Q202 PolarHBondContact ND2-O 2.6Å; N194-Q202 WeakPolarHBondContact OD1-CB 3.16Å; N194-Q202 PolarHBondContact OD1-OE1 3.15Å; N194-Q202 VanDerWaalsContact OD1-OE1 3.05Å; M197-Q202 HydrophobicContact CB-CB 3.65Å; M197-Q202 HydrophobicContact CG-CB 3.96Å; S198-Q202 PolarHBondContact O-N 3.4Å; Q202-P204 HydrophobicContact CG-CG 4.46Å; Q202-L207 HydrophobicContact CG-CD1 4.4Å; Q202-C313 PolarHBondContact NE2-SG 2.81Å
203R98.8Very high98.8Very high41 Ų4113.1 Ų13.116%0.1558%0.083CC..  trans-121.288.2173.8-81.4-178.8176.1179.9-4110.1F20 A82 L83 L205 A206F20-R203 HydrophobicContact CD2-CG 4.12Å; F20-R203 HydrophobicContact CE1-CB 4.24Å; F20-R203 HydrophobicContact CE1-CG 4.06Å; F20-R203 HydrophobicContact CE2-CB 4.31Å; F20-R203 HydrophobicContact CE2-CG 3.61Å; F20-R203 HydrophobicContact CZ-CB 3.81Å; F20-R203 HydrophobicContact CZ-CG 3.58Å; A82-R203 PolarHBondContact O-NH2 3.17Å; L83-R203 PolarHBondContact O-NE 3.16Å; L83-R203 PolarHBondContact O-NH2 3.02Å; R203-L205 VanDerWaalsContact C-N 3.28Å; R203-L205 PolarHBondContact O-N 3.18Å; R203-A206 HydrophobicContact CB-CB 4.12Å; R203-A206 PolarHBondContact O-N 3.39Å; R203-A206 VanDerWaalsContact O-N 3.12Å
204P98.9Very high98.8Very high0 Ų012.7 Ų12.70%08%0.081CC..G310 helixtrans-57.2-35.8-177.8-28.135.9000114.5I174 V192 N194 Q202 A206 L207 G208 A209 C212I174-P204 HydrophobicContact CD1-CB 4.25Å; I174-P204 HydrophobicContact CD1-CG 4.28Å; V192-P204 HydrophobicContact CB-CB 3.64Å; V192-P204 HydrophobicContact CB-CG 3.9Å; V192-P204 HydrophobicContact CG1-CB 3.88Å; V192-P204 HydrophobicContact CG1-CG 3.62Å; V192-P204 HydrophobicContact CG2-CB 3.95Å; N194-P204 HydrophobicContact CB-CG 3.89Å; N194-P204 WeakPolarHBondContact ND2-CD 3.24Å; Q202-P204 HydrophobicContact CG-CG 4.46Å; P204-A206 VanDerWaalsContact C-N 3.27Å; P204-A206 PolarHBondContact O-N 3.25Å; P204-L207 CarbonylContact O-C 3.56Å; P204-L207 WeakPolarHBondContact O-CA 3.32Å; P204-L207 WeakPolarHBondContact O-CB 3.19Å; P204-L207 PolarHBondContact O-N 3.05Å; P204-G208 PolarHBondContact O-N 2.87Å; P204-A209 HydrophobicContact CB-CB 3.87Å; P204-A209 WeakPolarHBondContact O-CB 2.94Å; P204-A209 PolarHBondContact O-N 2.83Å; P204-A209 VanDerWaalsContact O-N 3.12Å; P204-C212 HydrophobicContact CB-CB 4.33Å; P204-C212 HydrophobicContact CG-CB 4.32Å
205L98.9Very high98.8Very high18 Ų1813.7 Ų13.79%0.0949%0.088CC..G310 helixtrans-61.4-36.1178.3-60.2179.9000112.2D84 A86 R203 L207 G208 A209 C212D84-L205 HydrophobicContact CB-CD1 4.43Å; A86-L205 HydrophobicContact CB-CD1 3.45Å; A86-L205 VanDerWaalsContact CB-CD1 3.45Å; R203-L205 VanDerWaalsContact C-N 3.28Å; R203-L205 PolarHBondContact O-N 3.18Å; L205-L207 PolarHBondContact O-N 2.9Å; L205-G208 PolarHBondContact O-N 2.8Å; L205-A209 WeakPolarHBondContact CD2-O 3.03Å; L205-C212 HydrophobicContact CD1-CB 4.49Å; L205-C212 HydrophobicContact CD2-CB 4.18Å; L205-C212 HydrophobicContact CG-CB 3.97Å
206A98.6Very high98.8Very high74 Ų7413.2 Ų13.261%0.6129%0.085SC*.G310 helixtrans-73.3-11.2175.500000113.1R203 P204R203-A206 HydrophobicContact CB-CB 4.12Å; R203-A206 PolarHBondContact O-N 3.39Å; R203-A206 VanDerWaalsContact O-N 3.12Å; P204-A206 VanDerWaalsContact C-N 3.27Å; P204-A206 PolarHBondContact O-N 3.25Å
207L98.8Very high98.8Very high18 Ų1813.9 Ų13.99%0.0949%0.09CC..G310 helixtrans-102.2-1.3177.5-63169.6000112.2I174 K175 Q202 P204 L205 Q312I174-L207 HydrophobicContact CB-CB 3.95Å; I174-L207 HydrophobicContact CB-CD1 4.09Å; I174-L207 HydrophobicContact CD1-CD1 3.77Å; I174-L207 HydrophobicContact CG1-CD1 4.45Å; I174-L207 HydrophobicContact CG2-CB 3.62Å; I174-L207 HydrophobicContact CG2-CD1 4.44Å; K175-L207 WeakPolarHBondContact CA-O 3.47Å; K175-L207 WeakPolarHBondContact CB-O 3.42Å; Q202-L207 HydrophobicContact CG-CD1 4.4Å; P204-L207 CarbonylContact O-C 3.56Å; P204-L207 WeakPolarHBondContact O-CA 3.32Å; P204-L207 WeakPolarHBondContact O-CB 3.19Å; P204-L207 PolarHBondContact O-N 3.05Å; L205-L207 PolarHBondContact O-N 2.9Å; L207-Q312 HydrophobicContact CD1-CB 3.99Å; L207-Q312 HydrophobicContact CD2-CB 4.41Å
208G98.6Very high98.8Very high27 Ų2715 Ų1528%0.27810%0.095SC..THydrogen-bonded Turntrans106.54.4175.300000115.1S178 H182 P204 L205S178-G208 VanDerWaalsContact CB-O 3.22Å; S178-G208 WeakPolarHBondContact CB-O 3.24Å; S178-G208 PolarHBondContact OG-O 3.12Å; H182-G208 PolarHBondContact CE1-O 2.79Å; P204-G208 PolarHBondContact O-N 2.87Å; L205-G208 PolarHBondContact O-N 2.8Å
209A98.9Very high98.8Very high8 Ų815.1 Ų15.17%0.06610%0.095CC..  trans-68147.6169.700000110.8I174 S178 V192 P204 L205I174-A209 HydrophobicContact CG2-CB 4.37Å; S178-A209 PolarHBondContact OG-N 3.37Å; V192-A209 HydrophobicContact CB-CB 4.38Å; V192-A209 HydrophobicContact CG2-CB 3.73Å; P204-A209 HydrophobicContact CB-CB 3.87Å; P204-A209 WeakPolarHBondContact O-CB 2.94Å; P204-A209 PolarHBondContact O-N 2.83Å; P204-A209 VanDerWaalsContact O-N 3.12Å; L205-A209 WeakPolarHBondContact CD2-O 3.03Å
210D98.9Very high98.8Very high42 Ų4215.2 Ų15.223%0.22510%0.096CC..SBendtrans-82.3-32.7175-61.5-65.9000111.6H182 V189 V190 L233 L238H182-D210 IonicContact CE1-OD1 3.59Å; H182-D210 IonicContact CE1-OD2 2.71Å; H182-D210 IonicContact NE2-OD1 3.27Å; H182-D210 IonicContact NE2-OD2 2.72Å; H182-D210 PolarHBondContact NE2-OD2 2.84Å; V189-D210 HydrophobicContact CG1-CB 3.97Å; V190-D210 PolarHBondContact N-OD2 3.44Å; V190-D210 PolarHBondContact O-N 3.45Å; D210-L233 WeakPolarHBondContact O-CB 3.34Å; D210-L238 HydrophobicContact CB-CD2 4.33Å
211I98.9Very high98.9Very high0 Ų014.3 Ų14.30%09%0.092CC..EExtended strand (participates in β ladder)trans-133.3132-178.9-63.5-179.3000109.9I102 M105 V189 V190 V191 V192 M213 V231 L233 L238 L242I102-I211 HydrophobicContact CD1-CG2 4.06Å; I102-I211 HydrophobicContact CG1-CD1 4.37Å; I102-I211 HydrophobicContact CG2-CD1 4.41Å; M105-I211 HydrophobicContact CE-CD1 3.81Å; V189-I211 HydrophobicContact CG1-CD1 3.74Å; V189-I211 HydrophobicContact CG1-CG1 4.04Å; V190-I211 PolarHBondContact O-N 2.87Å; V190-I211 VanDerWaalsContact O-N 3.09Å; V191-I211 WeakPolarHBondContact CA-O 3.34Å; V191-I211 HydrophobicContact CB-CB 4.45Å; V191-I211 HydrophobicContact CG1-CB 4.32Å; V191-I211 HydrophobicContact CG1-CG2 4.06Å; V191-I211 HydrophobicContact CG2-CB 4.06Å; V191-I211 HydrophobicContact CG2-CD1 4.2Å; V191-I211 HydrophobicContact CG2-CG2 4.43Å; V192-I211 PolarHBondContact N-O 2.84Å; I211-M213 HydrophobicContact CG2-CB 4.47Å; I211-V231 HydrophobicContact CG2-CG1 3.5Å; I211-L233 HydrophobicContact CG1-CB 4.44Å; I211-L238 HydrophobicContact CD1-CD2 3.99Å; I211-L238 HydrophobicContact CG1-CD2 3.84Å; I211-L242 HydrophobicContact CD1-CD1 3.92Å
212C98.9Very high98.8Very high0 Ų014.3 Ų14.30%09%0.092CC..EExtended strand (participates in β ladder)trans-106.1120.9165.2-177.50000109.1N194 P204 L205 Y214 V231 S232N194-C212 VanDerWaalsContact CB-SG 3.54Å; P204-C212 HydrophobicContact CB-CB 4.33Å; P204-C212 HydrophobicContact CG-CB 4.32Å; L205-C212 HydrophobicContact CD1-CB 4.49Å; L205-C212 HydrophobicContact CD2-CB 4.18Å; L205-C212 HydrophobicContact CG-CB 3.97Å; C212-Y214 WeakPolarHBondContact SG-CE2 3.36Å; C212-Y214 PolarHBondContact SG-OH 3.27Å; C212-V231 WeakPolarHBondContact O-CA 3.28Å; C212-S232 PolarHBondContact N-O 2.95Å; C212-S232 PolarHBondContact O-N 3.45Å
213M98.9Very high98.8Very high2 Ų216.5 Ų16.51%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-116.6147.7-174.8-179.7-83.3-177.500110.9G95 A98 T99 I102 W160 V191 V192 D193 N194 I211 L230 V231G95-M213 VanDerWaalsContact C-CE 3.45Å; G95-M213 WeakPolarHBondContact O-CE 3.42Å; A98-M213 HydrophobicContact CB-CE 3.89Å; A98-M213 HydrophobicContact CB-CG 4.33Å; T99-M213 WeakPolarHBondContact OG1-CE 3.13Å; I102-M213 HydrophobicContact CD1-CB 4.27Å; I102-M213 HydrophobicContact CD1-CG 4.07Å; W160-M213 HydrophobicContact CH2-CG 4.14Å; W160-M213 HydrophobicContact CH2-SD 4.28Å; W160-M213 HydrophobicContact CZ2-SD 4.16Å; V191-M213 HydrophobicContact CG1-CB 4.07Å; V192-M213 PolarHBondContact O-N 2.98Å; D193-M213 HydrophobicContact CB-SD 4.27Å; N194-M213 PolarHBondContact N-O 3.16Å; I211-M213 HydrophobicContact CG2-CB 4.47Å; M213-L230 CarbonylContact C-O 3.5Å; M213-L230 WeakPolarHBondContact CA-O 3.45Å; M213-V231 HydrophobicContact CG-CG2 4.31Å
214Y98.9Very high98.8Very high0 Ų017.3 Ų17.30%011%0.114CC..EExtended strand (participates in β ladder)trans-134.8144.3174.9-56-88.2000112.1D84 N194 S199 C212 A216 M220 G229 L230D84-Y214 PolarHBondContact OD1-OH 2.86Å; D84-Y214 WeakPolarHBondContact OD2-CE2 3.42Å; N194-Y214 HydrophobicContact CB-CD1 4.14Å; N194-Y214 HydrophobicContact CB-CE1 3.55Å; N194-Y214 WeakPolarHBondContact ND2-CE1 3.25Å; N194-Y214 PolarHBondContact ND2-OH 3.03Å; N194-Y214 WeakPolarHBondContact O-CE1 3.32Å; S199-Y214 WeakPolarHBondContact CA-OH 3.26Å; S199-Y214 WeakPolarHBondContact CB-OH 3.47Å; S199-Y214 PolarHBondContact N-OH 3.43Å; C212-Y214 WeakPolarHBondContact SG-CE2 3.36Å; C212-Y214 PolarHBondContact SG-OH 3.27Å; Y214-A216 PolarHBondContact O-N 3.28Å; Y214-M220 HydrophobicContact CD1-CG 3.98Å; Y214-M220 HydrophobicContact CD1-SD 4.04Å; Y214-M220 HydrophobicContact CE1-SD 4.06Å; Y214-M220 HydrophobicContact CE2-CE 4.46Å; Y214-M220 HydrophobicContact CG-CG 4.11Å; Y214-M220 HydrophobicContact CG-SD 4.45Å; Y214-G229 CarbonylContact O-C 3.6Å; Y214-G229 VanDerWaalsContact O-CA 3.25Å; Y214-G229 WeakPolarHBondContact O-CA 3.29Å; Y214-L230 HydrophobicContact CD2-CB 4.02Å; Y214-L230 PolarHBondContact N-O 3.43Å; Y214-L230 PolarHBondContact O-N 3.03Å
215S98.9Very high98.8Very high20 Ų2021.5 Ų21.514%0.1414%0.137CC..EExtended strand (participates in β ladder)trans-80.196.3143.4178.90000108.5T195 T217 K218 M228T195-S215 PolarHBondContact OG1-N 3.17Å; S215-T217 PolarHBondContact O-N 3.26Å; S215-T217 WeakPolarHBondContact OG-CB 3.37Å; S215-T217 PolarHBondContact OG-OG1 3.04Å; S215-K218 PolarHBondContact O-N 2.99Å; S215-K218 VanDerWaalsContact O-N 3.12Å; S215-M228 CarbonylContact C-O 3.59Å
216A98.9Very high98.8Very high0 Ų020.8 Ų20.80%013%0.133CC..THydrogen-bonded Turntrans-67.6-12.3177.300000113.9Y214 K218 M220 N221 M228 L230Y214-A216 PolarHBondContact O-N 3.28Å; A216-K218 PolarHBondContact O-N 2.78Å; A216-K218 VanDerWaalsContact O-N 3.08Å; A216-M220 HydrophobicContact CB-CB 3.84Å; A216-M220 HydrophobicContact CB-CG 4.34Å; A216-N221 WeakPolarHBondContact O-CB 3.41Å; A216-N221 PolarHBondContact O-N 3.4Å; A216-M228 HydrophobicContact CB-CB 3.88Å; A216-M228 HydrophobicContact CB-CG 4.01Å; A216-M228 PolarHBondContact N-O 2.81Å; A216-L230 HydrophobicContact CB-CD1 3.53Å; A216-L230 HydrophobicContact CB-CG 3.73Å
217T98.8Very high98.8Very high22 Ų2221.1 Ų21.114%0.13513%0.127CC..THydrogen-bonded Turntrans-48.4-28.5164.7-45.80000113.5S215 V226 V227 M228S215-T217 PolarHBondContact O-N 3.26Å; S215-T217 WeakPolarHBondContact OG-CB 3.37Å; S215-T217 PolarHBondContact OG-OG1 3.04Å; T217-V226 VanDerWaalsContact CA-O 3.27Å; T217-V226 WeakPolarHBondContact CA-O 3.27Å; T217-V226 WeakPolarHBondContact CG2-O 3.42Å; T217-V227 HydrophobicContact CG2-CG2 4.1Å; T217-V227 WeakPolarHBondContact OG1-CA 3.29Å; T217-M228 PolarHBondContact N-O 2.56Å; T217-M228 PolarHBondContact OG1-N 3.17Å; T217-M228 VanDerWaalsContact OG1-N 3.14Å; T217-M228 PolarHBondContact OG1-O 3.44Å
218K98.8Very high98.8Very high24 Ų2420.3 Ų20.310%0.10412%0.123CC..THydrogen-bonded Turntrans-93.2-127.1-174.8-46.7-47.8174.869.40110T195 S215 A216 M220 N221 G222 S346 L347T195-K218 HydrophobicContact CG2-CB 3.81Å; T195-K218 HydrophobicContact CG2-CG 3.51Å; S215-K218 PolarHBondContact O-N 2.99Å; S215-K218 VanDerWaalsContact O-N 3.12Å; A216-K218 PolarHBondContact O-N 2.78Å; A216-K218 VanDerWaalsContact O-N 3.08Å; K218-M220 VanDerWaalsContact C-N 3.31Å; K218-M220 PolarHBondContact O-N 3.01Å; K218-N221 PolarHBondContact O-N 3.13Å; K218-G222 WeakPolarHBondContact O-CA 3.21Å; K218-G222 PolarHBondContact O-N 2.98Å; K218-S346 WeakPolarHBondContact CD-OG 3.48Å; K218-S346 VanDerWaalsContact CE-OG 3.27Å; K218-S346 WeakPolarHBondContact CE-OG 3.46Å; K218-L347 WeakPolarHBondContact CA-O 3.44Å; K218-L347 HydrophobicContact CB-CD1 3.75Å; K218-L347 HydrophobicContact CB-CG 4.46Å; K218-L347 HydrophobicContact CD-CD1 4.18Å; K218-L347 HydrophobicContact CD-CG 3.97Å; K218-L347 VanDerWaalsContact CD-O 3.27Å; K218-L347 WeakPolarHBondContact CD-O 3.22Å; K218-L347 HydrophobicContact CG-CD1 3.81Å; K218-L347 HydrophobicContact CG-CG 4.13Å
219Y98.9Very high98.8Very high1 Ų119 Ų190%0.00411%0.11CC..THydrogen-bonded Turntrans-58.5-34.1-173.3-72.5-64.3000115.6F196 L268 R271 M272 H275 P317 G318 M319 L347 G348F196-Y219 WeakPolarHBondContact O-CD2 3.24Å; F196-Y219 VanDerWaalsContact O-CE2 3.28Å; F196-Y219 WeakPolarHBondContact O-CE2 3.44Å; Y219-L268 VanDerWaalsContact O-CD1 3.3Å; Y219-L268 WeakPolarHBondContact O-CD1 3.31Å; Y219-R271 PolarHBondContact O-NH1 3.34Å; Y219-R271 PolarHBondContact O-NH2 3Å; Y219-M272 HydrophobicContact CD1-CE 4.03Å; Y219-M272 HydrophobicContact CD1-SD 3.33Å; Y219-M272 WeakPolarHBondContact CD1-SD 3.23Å; Y219-M272 HydrophobicContact CD2-CE 4.23Å; Y219-M272 HydrophobicContact CD2-SD 4.39Å; Y219-M272 HydrophobicContact CE1-CE 4.27Å; Y219-M272 HydrophobicContact CE1-SD 3.97Å; Y219-M272 HydrophobicContact CE2-CE 4.48Å; Y219-M272 HydrophobicContact CG-CE 4.01Å; Y219-M272 HydrophobicContact CG-SD 3.58Å; Y219-M272 VanDerWaalsContact CG-SD 3.58Å; Y219-H275 AromaticContact CD1-CD2 3.83Å; Y219-H275 AromaticContact CD1-NE2 3.86Å; Y219-H275 AromaticContact CE1-CD2 3.47Å; Y219-H275 VanDerWaalsContact CE1-CD2 3.47Å; Y219-H275 WeakPolarHBondContact CE1-CD2 3.07Å; Y219-H275 AromaticContact CE1-CE1 3.95Å; Y219-H275 AromaticContact CE1-CG 3.84Å; Y219-H275 AromaticContact CE1-NE2 3.56Å; Y219-P317 HydrophobicContact CE2-CB 4.09Å; Y219-G318 WeakPolarHBondContact OH-CA 3.38Å; Y219-G318 PolarHBondContact OH-N 2.95Å; Y219-M319 HydrophobicContact CE2-CG 4.19Å; Y219-M319 HydrophobicContact CE2-SD 4.23Å; Y219-M319 PolarHBondContact OH-SD 3.15Å; Y219-M319 VanDerWaalsContact OH-SD 3.35Å; Y219-L347 HydrophobicContact CD2-CD1 4.48Å; Y219-L347 HydrophobicContact CE2-CD1 4.15Å; Y219-G348 WeakPolarHBondContact CA-O 3.35Å; Y219-G348 VanDerWaalsContact CD1-CA 3.45Å; Y219-G348 WeakPolarHBondContact CD1-O 3.33Å
220M98.9Very high98.8Very high3 Ų318.6 Ų18.62%0.01511%0.106CC..THydrogen-bonded Turntrans-59.8-51.8-176.1-59.2-63.8-77.600111V80 Y214 A216 K218 L230 L265 L268 R271V80-M220 HydrophobicContact CG1-CE 4.13Å; V80-M220 HydrophobicContact CG2-CE 4.41Å; Y214-M220 HydrophobicContact CD1-CG 3.98Å; Y214-M220 HydrophobicContact CD1-SD 4.04Å; Y214-M220 HydrophobicContact CE1-SD 4.06Å; Y214-M220 HydrophobicContact CE2-CE 4.46Å; Y214-M220 HydrophobicContact CG-CG 4.11Å; Y214-M220 HydrophobicContact CG-SD 4.45Å; A216-M220 HydrophobicContact CB-CB 3.84Å; A216-M220 HydrophobicContact CB-CG 4.34Å; K218-M220 VanDerWaalsContact C-N 3.31Å; K218-M220 PolarHBondContact O-N 3.01Å; M220-L230 HydrophobicContact CB-CD1 4.24Å; M220-L230 HydrophobicContact CE-CD1 3.89Å; M220-L230 HydrophobicContact CG-CD1 4.23Å; M220-L265 HydrophobicContact CB-CD2 4.2Å; M220-L265 HydrophobicContact CE-CD2 3.87Å; M220-L265 WeakPolarHBondContact O-CD2 3.25Å; M220-L268 HydrophobicContact SD-CD2 4.11Å; M220-R271 PolarHBondContact O-NH2 3.25Å
221N98.9Very high98.8Very high0 Ų016.6 Ų16.60%010%0.096CC..THydrogen-bonded Turntrans-71.8-59.2167.5178.858000111A216 K218 H223 D225 V226 C261 G264 R271A216-N221 WeakPolarHBondContact O-CB 3.41Å; A216-N221 PolarHBondContact O-N 3.4Å; K218-N221 PolarHBondContact O-N 3.13Å; N221-H223 VanDerWaalsContact C-N 3.31Å; N221-H223 PolarHBondContact ND2-N 3.37Å; N221-H223 PolarHBondContact O-CE1 2.83Å; N221-H223 PolarHBondContact O-N 3.23Å; N221-H223 PolarHBondContact O-ND1 3.35Å; N221-D225 PolarHBondContact ND2-OD1 3.49Å; N221-V226 HydrophobicContact CB-CB 4.31Å; N221-C261 WeakPolarHBondContact OD1-CA 3.42Å; N221-G264 WeakPolarHBondContact O-CA 3.38Å; N221-R271 PolarHBondContact O-NH2 2.98Å
222G98.7Very high98.8Very high0 Ų016.6 Ų16.60%010%0.096CC..  trans73.812.7173.700000116.5K218 G348 G349 Y350K218-G222 WeakPolarHBondContact O-CA 3.21Å; K218-G222 PolarHBondContact O-N 2.98Å; G222-G348 WeakPolarHBondContact CA-O 3.41Å; G222-G349 CarbonylContact O-C 3.47Å; G222-Y350 PolarHBondContact O-N 2.9Å
223H98.8Very high98.8Very high47 Ų4716.6 Ų16.622%0.21810%0.096CC..SBendtrans-12310.4-177.6-62.978.2000113.6N221 D225 Y350N221-H223 VanDerWaalsContact C-N 3.31Å; N221-H223 PolarHBondContact ND2-N 3.37Å; N221-H223 PolarHBondContact O-CE1 2.83Å; N221-H223 PolarHBondContact O-N 3.23Å; N221-H223 PolarHBondContact O-ND1 3.35Å; H223-D225 PolarHBondContact O-N 3.46Å; H223-Y350 HydrophobicContact CB-CD1 4.47Å; H223-Y350 HydrophobicContact CB-CE1 4.37Å
224S98.3Very high98.8Very high58 Ų5819.2 Ų19.241%0.40611%0.11SC..SBendtrans54.528.5173.4-59.30000115.6E351S224-E351 WeakPolarHBondContact CB-OE1 3.45Å; S224-E351 PolarHBondContact OG-OE1 2.71Å; S224-E351 PolarHBondContact OG-OE2 3.27Å
225D98.6Very high98.8Very high88 Ų8823 Ų2347%0.47113%0.13SC..SBendtrans-130.61.5-173.861.6-6.5000113.8N221 H223N221-D225 PolarHBondContact ND2-OD1 3.49Å; H223-D225 PolarHBondContact O-N 3.46Å
226V98.9Very high98.8Very high3 Ų325.9 Ų25.92%0.01814%0.144CC..  trans-133.5134.8179.71730000110.2T217 N221 M228 D257 L260T217-V226 VanDerWaalsContact CA-O 3.27Å; T217-V226 WeakPolarHBondContact CA-O 3.27Å; T217-V226 WeakPolarHBondContact CG2-O 3.42Å; N221-V226 HydrophobicContact CB-CB 4.31Å; V226-M228 HydrophobicContact CG1-CB 3.83Å; V226-M228 HydrophobicContact CG1-CE 4.04Å; V226-D257 HydrophobicContact CG1-CB 3.93Å; V226-D257 HydrophobicContact CG2-CB 4.49Å; V226-L260 HydrophobicContact CG2-CB 3.49Å; V226-L260 VanDerWaalsContact CG2-CB 3.49Å; V226-L260 HydrophobicContact CG2-CD1 3.81Å; V226-L260 HydrophobicContact CG2-CG 4.33Å
227V98.9Very high98.8Very high81 Ų8131.3 Ų31.349%0.49117%0.173SC..  trans-103.8121.8164.61790000108.5A93 T217A93-V227 CarbonylContact O-C 3.58Å; A93-V227 VanDerWaalsContact O-O 3.06Å; T217-V227 HydrophobicContact CG2-CG2 4.1Å; T217-V227 WeakPolarHBondContact OG1-CA 3.29Å
228M98.9Very high98.8Very high0 Ų030.8 Ų30.80%017%0.169CC..  trans-156.5153.1-175.7-176.9171.3-62.700111.7L76 F92 G95 S215 A216 T217 V226 L230 P253 D257 C261L76-M228 HydrophobicContact CD2-CE 4.19Å; L76-M228 HydrophobicContact CD2-SD 3.45Å; L76-M228 WeakPolarHBondContact CD2-SD 3.41Å; F92-M228 WeakPolarHBondContact O-CA 3.35Å; F92-M228 WeakPolarHBondContact O-CG 3.25Å; G95-M228 PolarHBondContact N-O 3.16Å; S215-M228 CarbonylContact C-O 3.59Å; A216-M228 HydrophobicContact CB-CB 3.88Å; A216-M228 HydrophobicContact CB-CG 4.01Å; A216-M228 PolarHBondContact N-O 2.81Å; T217-M228 PolarHBondContact N-O 2.56Å; T217-M228 PolarHBondContact OG1-N 3.17Å; T217-M228 VanDerWaalsContact OG1-N 3.14Å; T217-M228 PolarHBondContact OG1-O 3.44Å; V226-M228 HydrophobicContact CG1-CB 3.83Å; V226-M228 HydrophobicContact CG1-CE 4.04Å; M228-L230 HydrophobicContact SD-CD2 4.28Å; M228-P253 HydrophobicContact CE-CB 3.67Å; M228-P253 HydrophobicContact CE-CG 4.29Å; M228-D257 VanDerWaalsContact CE-C 3.45Å; M228-D257 HydrophobicContact CE-CB 3.74Å; M228-D257 WeakPolarHBondContact CE-O 3.47Å; M228-C261 HydrophobicContact CE-CB 4.14Å; M228-C261 HydrophobicContact SD-CB 3.88Å
229G98.9Very high98.8Very high0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-117.3149.8168.200000111.3A91 F92 S94 Y214A91-G229 CarbonylContact C-O 3.51Å; A91-G229 WeakPolarHBondContact CA-O 3.32Å; F92-G229 PolarHBondContact N-O 3Å; F92-G229 PolarHBondContact O-N 3.22Å; S94-G229 VanDerWaalsContact C-CA 3.42Å; S94-G229 WeakPolarHBondContact O-CA 2.9Å; S94-G229 PolarHBondContact O-N 2.84Å; Y214-G229 CarbonylContact O-C 3.6Å; Y214-G229 VanDerWaalsContact O-CA 3.25Å; Y214-G229 WeakPolarHBondContact O-CA 3.29Å
230L99Very high98.7Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-133.5144.4175.2-61165.4000109.5L76 V80 L90 A91 M213 Y214 A216 M220 M228L76-L230 HydrophobicContact CD2-CD2 4.28Å; L76-L230 HydrophobicContact CG-CD2 4.48Å; V80-L230 HydrophobicContact CB-CD1 4.49Å; V80-L230 HydrophobicContact CG1-CB 4.36Å; V80-L230 HydrophobicContact CG1-CD1 3.95Å; V80-L230 HydrophobicContact CG2-CD1 3.74Å; V80-L230 HydrophobicContact CG2-CD2 4.18Å; L90-L230 WeakPolarHBondContact O-CA 3.49Å; A91-L230 HydrophobicContact CB-CD2 3.83Å; M213-L230 CarbonylContact C-O 3.5Å; M213-L230 WeakPolarHBondContact CA-O 3.45Å; Y214-L230 HydrophobicContact CD2-CB 4.02Å; Y214-L230 PolarHBondContact N-O 3.43Å; Y214-L230 PolarHBondContact O-N 3.03Å; A216-L230 HydrophobicContact CB-CD1 3.53Å; A216-L230 HydrophobicContact CB-CG 3.73Å; M220-L230 HydrophobicContact CB-CD1 4.24Å; M220-L230 HydrophobicContact CE-CD1 3.89Å; M220-L230 HydrophobicContact CG-CD1 4.23Å; M228-L230 HydrophobicContact SD-CD2 4.28Å
231V98.9Very high98.7Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-138111.8179.6-179.30000108.9C89 L90 F92 A98 I102 I211 C212 M213 L242C89-V231 CarbonylContact C-O 3.57Å; C89-V231 WeakPolarHBondContact CA-O 3.47Å; L90-V231 PolarHBondContact N-O 3.44Å; L90-V231 PolarHBondContact O-N 2.91Å; F92-V231 HydrophobicContact CD2-CG2 3.82Å; F92-V231 HydrophobicContact CE2-CB 3.86Å; F92-V231 HydrophobicContact CE2-CG2 3.42Å; F92-V231 VanDerWaalsContact CE2-CG2 3.42Å; F92-V231 HydrophobicContact CZ-CG2 4.45Å; A98-V231 HydrophobicContact CB-CG2 3.64Å; I102-V231 HydrophobicContact CD1-CG1 4.19Å; I102-V231 HydrophobicContact CD1-CG2 3.92Å; I102-V231 HydrophobicContact CG1-CG1 4.41Å; I102-V231 HydrophobicContact CG1-CG2 4.39Å; I211-V231 HydrophobicContact CG2-CG1 3.5Å; C212-V231 WeakPolarHBondContact O-CA 3.28Å; M213-V231 HydrophobicContact CG-CG2 4.31Å; V231-L242 HydrophobicContact CG1-CD1 4.13Å
232S98.9Very high98.7Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-107.2141.4178.9-65.20000111.4D84 H88 C212D84-S232 WeakPolarHBondContact OD2-CB 3.39Å; D84-S232 PolarHBondContact OD2-OG 2.77Å; H88-S232 VanDerWaalsContact O-CA 3.3Å; H88-S232 WeakPolarHBondContact O-CA 3.39Å; C212-S232 PolarHBondContact N-O 2.95Å; C212-S232 PolarHBondContact O-N 3.45Å
233L98.9Very high98.7Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-161.5165.2-175.669.2168.9000113.3K87 H88 L90 D210 I211 L238 N239 L242K87-L233 PolarHBondContact N-O 3.29Å; H88-L233 HydrophobicContact CB-CD2 3.92Å; H88-L233 HydrophobicContact CB-CG 4.41Å; H88-L233 PolarHBondContact N-O 3.46Å; H88-L233 PolarHBondContact O-N 2.9Å; L90-L233 HydrophobicContact CD1-CD2 3.5Å; L90-L233 VanDerWaalsContact CD1-CD2 3.5Å; D210-L233 WeakPolarHBondContact O-CB 3.34Å; I211-L233 HydrophobicContact CG1-CB 4.44Å; L233-L238 HydrophobicContact CD1-CB 3.92Å; L233-L238 HydrophobicContact CD1-CD2 3.91Å; L233-L238 HydrophobicContact CD1-CG 3.69Å; L233-N239 HydrophobicContact CD1-CB 3.95Å; L233-N239 HydrophobicContact CD2-CB 4.4Å; L233-N239 HydrophobicContact CG-CB 4.2Å; L233-L242 HydrophobicContact CD1-CD1 3.77Å
234N98.8Very high98.7Very high57 Ų5751.4 Ų51.431%0.30526%0.255SS..  trans-116.7-20.9-176.6-76.8-36.5000115.3A86 K87A86-N234 VanDerWaalsContact CA-OD1 3.24Å; A86-N234 WeakPolarHBondContact CA-OD1 3.36Å; K87-N234 WeakPolarHBondContact CD-O 3.32Å; K87-N234 PolarHBondContact N-OD1 3.24Å; K87-N234 PolarHBondContact NZ-O 2.99Å
235N98.5Very high98.7Very high79 Ų7949.9 Ų49.942%0.42224%0.242SC..  trans-80.3123.1-179.1-179.1-56.3000109.9D237 L238 N239N235-D237 WeakPolarHBondContact OD1-CB 3.3Å; N235-D237 PolarHBondContact OD1-N 3.4Å; N235-L238 HydrophobicContact CB-CB 3.87Å; N235-L238 PolarHBondContact O-N 2.99Å; N235-L238 PolarHBondContact OD1-N 2.72Å; N235-N239 WeakPolarHBondContact O-CB 3.35Å; N235-N239 PolarHBondContact O-N 2.9Å
236D98.7Very high98.7Very high81 Ų8145.7 Ų45.743%0.43322%0.22SC..Hα-helixtrans-69.4-39.8-173.6-63.7-46.4000112K87 H88 N239 E240K87-D236 IonicContact NZ-OD1 3.99Å; K87-D236 IonicContact NZ-OD2 3.28Å; K87-D236 PolarHBondContact NZ-OD2 3.35Å; H88-D236 IonicContact CD2-OD1 2.9Å; H88-D236 IonicContact CE1-OD1 3.91Å; H88-D236 IonicContact NE2-OD1 2.66Å; H88-D236 PolarHBondContact NE2-OD1 2.93Å; D236-N239 WeakPolarHBondContact O-CB 3.31Å; D236-N239 PolarHBondContact O-N 3.23Å; D236-E240 PolarHBondContact O-N 2.95Å
237D98.2Very high98.7Very high114 Ų11447.9 Ų47.961%0.6123%0.232SC*.Hα-helixtrans-65.8-40.9176.5-58.3-25.5000111.5N235 N239 E240 R241N235-D237 WeakPolarHBondContact OD1-CB 3.3Å; N235-D237 PolarHBondContact OD1-N 3.4Å; D237-N239 VanDerWaalsContact C-N 3.34Å; D237-E240 PolarHBondContact O-N 2.89Å; D237-R241 WeakPolarHBondContact O-CG 3.47Å; D237-R241 PolarHBondContact O-N 3.39Å; D237-R241 VanDerWaalsContact O-N 3.11Å
238L98.3Very high98.7Very high10 Ų1047 Ų475%0.05223%0.232CC..Hα-helixtrans-65.8-39.3176.2-172.162.7000111.1M105 V189 D210 I211 L233 N235 R241 L242M105-L238 HydrophobicContact CE-CD1 3.99Å; M105-L238 HydrophobicContact SD-CD1 3.39Å; M105-L238 WeakPolarHBondContact SD-CD1 3.46Å; M105-L238 HydrophobicContact SD-CG 4.43Å; V189-L238 HydrophobicContact CG1-CD2 4.33Å; V189-L238 HydrophobicContact CG2-CD1 4.21Å; D210-L238 HydrophobicContact CB-CD2 4.33Å; I211-L238 HydrophobicContact CD1-CD2 3.99Å; I211-L238 HydrophobicContact CG1-CD2 3.84Å; L233-L238 HydrophobicContact CD1-CB 3.92Å; L233-L238 HydrophobicContact CD1-CD2 3.91Å; L233-L238 HydrophobicContact CD1-CG 3.69Å; N235-L238 HydrophobicContact CB-CB 3.87Å; N235-L238 PolarHBondContact O-N 2.99Å; N235-L238 PolarHBondContact OD1-N 2.72Å; L238-R241 PolarHBondContact O-N 2.87Å; L238-L242 HydrophobicContact CG-CD1 4.39Å; L238-L242 PolarHBondContact O-N 3.4Å
239N98.8Very high98.7Very high16 Ų1650.5 Ų50.59%0.08625%0.251CS..Hα-helixtrans-64.5-41.8173.817171.4000112H88 L233 N235 D236 D237 R241 L242 R243H88-N239 HydrophobicContact CB-CB 4.29Å; H88-N239 WeakPolarHBondContact CB-OD1 3.13Å; H88-N239 VanDerWaalsContact CG-CG 3.47Å; L233-N239 HydrophobicContact CD1-CB 3.95Å; L233-N239 HydrophobicContact CD2-CB 4.4Å; L233-N239 HydrophobicContact CG-CB 4.2Å; N235-N239 WeakPolarHBondContact O-CB 3.35Å; N235-N239 PolarHBondContact O-N 2.9Å; D236-N239 WeakPolarHBondContact O-CB 3.31Å; D236-N239 PolarHBondContact O-N 3.23Å; D237-N239 VanDerWaalsContact C-N 3.34Å; N239-R241 VanDerWaalsContact C-N 3.34Å; N239-R241 PolarHBondContact O-N 3.2Å; N239-L242 PolarHBondContact O-N 3.47Å; N239-R243 VanDerWaalsContact O-CB 3.22Å; N239-R243 WeakPolarHBondContact O-CB 3.44Å; N239-R243 PolarHBondContact O-N 2.81Å
240E98.6Very high98.6Very high140 Ų14051.8 Ų51.865%0.65426%0.264SS*.Hα-helixtrans-59.1-46.3176.2-173.1177.7-17900111.2D236 D237 L242 R243 F244D236-E240 PolarHBondContact O-N 2.95Å; D237-E240 PolarHBondContact O-N 2.89Å; E240-L242 PolarHBondContact O-N 2.8Å; E240-R243 PolarHBondContact O-N 3.05Å; E240-F244 WeakPolarHBondContact O-CB 3.26Å; E240-F244 PolarHBondContact O-N 2.85Å
241R98.4Very high98.6Very high123 Ų12352.6 Ų52.646%0.46427%0.272SS..Hα-helixtrans-59.6-48.1175.8-69.4170.266.2-165.72112M105 D237 L238 N239 F244 L245M105-R241 PolarHBondContact O-NH2 2.96Å; D237-R241 WeakPolarHBondContact O-CG 3.47Å; D237-R241 PolarHBondContact O-N 3.39Å; D237-R241 VanDerWaalsContact O-N 3.11Å; L238-R241 PolarHBondContact O-N 2.87Å; N239-R241 VanDerWaalsContact C-N 3.34Å; N239-R241 PolarHBondContact O-N 3.2Å; R241-F244 PolarHBondContact O-N 3.33Å; R241-L245 WeakPolarHBondContact O-CG 3.39Å; R241-L245 PolarHBondContact O-N 3.22Å; R241-L245 VanDerWaalsContact O-N 3.08Å
242L98.8Very high98.5Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-68.8-36.6179.7-76.3170.6000112.9L90 T101 I102 M105 I211 V231 L233 L238 N239 E240 L245 Q246L90-L242 HydrophobicContact CD1-CB 4.07Å; L90-L242 HydrophobicContact CD1-CD1 4.49Å; L90-L242 HydrophobicContact CD2-CB 4.16Å; T101-L242 HydrophobicContact CG2-CD2 4.07Å; I102-L242 HydrophobicContact CG1-CD2 4.23Å; M105-L242 HydrophobicContact CE-CD1 4.47Å; M105-L242 HydrophobicContact CE-CD2 4Å; M105-L242 HydrophobicContact CE-CG 4.37Å; M105-L242 HydrophobicContact CG-CD2 3.81Å; M105-L242 HydrophobicContact CG-CG 4.34Å; M105-L242 HydrophobicContact SD-CD1 4.13Å; M105-L242 HydrophobicContact SD-CD2 3.53Å; M105-L242 VanDerWaalsContact SD-CD2 3.53Å; M105-L242 HydrophobicContact SD-CG 3.56Å; M105-L242 VanDerWaalsContact SD-CG 3.56Å; I211-L242 HydrophobicContact CD1-CD1 3.92Å; V231-L242 HydrophobicContact CG1-CD1 4.13Å; L233-L242 HydrophobicContact CD1-CD1 3.77Å; L238-L242 HydrophobicContact CG-CD1 4.39Å; L238-L242 PolarHBondContact O-N 3.4Å; N239-L242 PolarHBondContact O-N 3.47Å; E240-L242 PolarHBondContact O-N 2.8Å; L242-L245 PolarHBondContact O-N 3.47Å; L242-Q246 WeakPolarHBondContact O-CB 3.45Å; L242-Q246 PolarHBondContact O-N 2.89Å
243R98.7Very high98.5Very high90 Ų9054.5 Ų54.534%0.3428%0.284SS..Hα-helixtrans-64.1-43.1175.2-174.18389.3-135.2-2.1110.6C89 L90 N239 E240 L245 Q246 N247C89-R243 PolarHBondContact O-NH1 3Å; L90-R243 VanDerWaalsContact CD2-CA 3.49Å; L90-R243 HydrophobicContact CD2-CB 4.02Å; N239-R243 VanDerWaalsContact O-CB 3.22Å; N239-R243 WeakPolarHBondContact O-CB 3.44Å; N239-R243 PolarHBondContact O-N 2.81Å; E240-R243 PolarHBondContact O-N 3.05Å; R243-L245 VanDerWaalsContact C-N 3.32Å; R243-L245 PolarHBondContact O-N 2.92Å; R243-Q246 PolarHBondContact O-N 2.75Å; R243-N247 PolarHBondContact O-N 3.17Å; R243-N247 VanDerWaalsContact O-N 3.14Å
244F98.8Very high98.5Very high140 Ų14056.9 Ų56.961%0.61430%0.3SS*.Hα-helixtrans-56.7-48.5173.2175-96.3000110.8E240 R241 N247 A248E240-F244 WeakPolarHBondContact O-CB 3.26Å; E240-F244 PolarHBondContact O-N 2.85Å; R241-F244 PolarHBondContact O-N 3.33Å; F244-N247 PolarHBondContact O-N 3.34Å; F244-A248 HydrophobicContact CD1-CB 4.45Å; F244-A248 HydrophobicContact CE1-CB 4.09Å; F244-A248 HydrophobicContact CZ-CB 4.19Å; F244-A248 VanDerWaalsContact O-CB 3.23Å; F244-A248 WeakPolarHBondContact O-CB 3.36Å; F244-A248 PolarHBondContact O-N 3.03Å
245L98.8Very high98.5Very high25 Ų2554.9 Ų54.913%0.13129%0.291CS..Hα-helixtrans-68.3-37.1179.5-66174000113.4T101 H104 M105 R241 L242 R243 N247 A248 I249T101-L245 HydrophobicContact CG2-CB 3.67Å; T101-L245 HydrophobicContact CG2-CD1 4.5Å; T101-L245 WeakPolarHBondContact O-CD1 3.35Å; H104-L245 HydrophobicContact CB-CD1 4.05Å; H104-L245 HydrophobicContact CB-CD2 4.31Å; M105-L245 HydrophobicContact CB-CD1 4.47Å; M105-L245 HydrophobicContact CG-CD1 3.72Å; R241-L245 WeakPolarHBondContact O-CG 3.39Å; R241-L245 PolarHBondContact O-N 3.22Å; R241-L245 VanDerWaalsContact O-N 3.08Å; L242-L245 PolarHBondContact O-N 3.47Å; R243-L245 VanDerWaalsContact C-N 3.32Å; R243-L245 PolarHBondContact O-N 2.92Å; L245-N247 PolarHBondContact O-N 3Å; L245-A248 PolarHBondContact O-N 3.49Å; L245-I249 HydrophobicContact CB-CD1 4Å; L245-I249 HydrophobicContact CD2-CD1 4.16Å; L245-I249 HydrophobicContact CD2-CG1 4.49Å; L245-I249 VanDerWaalsContact O-CB 3.26Å; L245-I249 WeakPolarHBondContact O-CB 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 2.84Å
246Q98.8Very high98.6Very high0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-55-45173.6-176.5-167.545.900110.1E77 L90 A91 F92 L242 R243 G250 V252E77-Q246 PolarHBondContact OE1-NE2 3.39Å; L90-Q246 HydrophobicContact CD2-CB 4.13Å; A91-Q246 PolarHBondContact O-NE2 3.41Å; F92-Q246 HydrophobicContact CD1-CG 4.46Å; F92-Q246 HydrophobicContact CE1-CB 3.9Å; F92-Q246 HydrophobicContact CE1-CG 3.88Å; F92-Q246 HydrophobicContact CZ-CB 4.22Å; F92-Q246 HydrophobicContact CZ-CG 4.31Å; L242-Q246 WeakPolarHBondContact O-CB 3.45Å; L242-Q246 PolarHBondContact O-N 2.89Å; R243-Q246 PolarHBondContact O-N 2.75Å; Q246-G250 WeakPolarHBondContact O-CA 3.45Å; Q246-G250 PolarHBondContact O-N 2.85Å; Q246-V252 HydrophobicContact CG-CG1 3.9Å; Q246-V252 WeakPolarHBondContact O-CG1 3.33Å
247N98.4Very high98.6Very high50 Ų5054 Ų5427%0.26728%0.282SS..Hα-helixtrans-71.2-50.8176.6-175.739.9000112.3R67 S68 R243 F244 L245 G250R67-N247 PolarHBondContact NH1-O 3.29Å; R67-N247 PolarHBondContact NH1-OD1 2.95Å; S68-N247 WeakPolarHBondContact CA-OD1 3.45Å; S68-N247 WeakPolarHBondContact CB-OD1 3.34Å; S68-N247 PolarHBondContact OG-OD1 3.35Å; R243-N247 PolarHBondContact O-N 3.17Å; R243-N247 VanDerWaalsContact O-N 3.14Å; F244-N247 PolarHBondContact O-N 3.34Å; L245-N247 PolarHBondContact O-N 3Å; N247-G250 PolarHBondContact O-N 3.47Å
248A98.4Very high98.6Very high61 Ų6148.6 Ų48.650%0.50425%0.253SS..Hα-helixtrans-72-40.3-169.900000113.4F244 L245F244-A248 HydrophobicContact CD1-CB 4.45Å; F244-A248 HydrophobicContact CE1-CB 4.09Å; F244-A248 HydrophobicContact CZ-CB 4.19Å; F244-A248 VanDerWaalsContact O-CB 3.23Å; F244-A248 WeakPolarHBondContact O-CB 3.36Å; F244-A248 PolarHBondContact O-N 3.03Å; L245-A248 PolarHBondContact O-N 3.49Å
249I98.4Very high98.6Very high74 Ų7451.4 Ų51.438%0.37926%0.263SS..Hα-helixtrans-75.9-35.4173.7-60169000109.9T101 H104 L245 G251T101-I249 HydrophobicContact CG2-CD1 4.37Å; H104-I249 HydrophobicContact CB-CD1 3.72Å; L245-I249 HydrophobicContact CB-CD1 4Å; L245-I249 HydrophobicContact CD2-CD1 4.16Å; L245-I249 HydrophobicContact CD2-CG1 4.49Å; L245-I249 VanDerWaalsContact O-CB 3.26Å; L245-I249 WeakPolarHBondContact O-CB 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 2.84Å; I249-G251 VanDerWaalsContact C-N 3.33Å; I249-G251 PolarHBondContact O-N 3.42Å
250G97.9Very high98.7Very high27 Ų2752.3 Ų52.328%0.27827%0.268SS..  trans75.219.4175.800000114.4Q246 N247 V252Q246-G250 WeakPolarHBondContact O-CA 3.45Å; Q246-G250 PolarHBondContact O-N 2.85Å; N247-G250 PolarHBondContact O-N 3.47Å; G250-V252 PolarHBondContact O-N 3.19Å
251G97.7Very high98.7Very high17 Ų1745.7 Ų45.718%0.17524%0.237CC..  trans-72.747.1172.400000113.2F92 A93 I249F92-G251 CarbonylContact C-O 3.56Å; F92-G251 VanDerWaalsContact CA-O 3.31Å; F92-G251 WeakPolarHBondContact CA-O 3.32Å; A93-G251 PolarHBondContact N-O 3.45Å; I249-G251 VanDerWaalsContact C-N 3.33Å; I249-G251 PolarHBondContact O-N 3.42Å
252V98.8Very high98.7Very high34 Ų3440.2 Ų40.221%0.20622%0.217CC..PPolyproline II helixtrans-92.8147.6-171.2-61.70000112.1R67 Q246 G250R67-V252 HydrophobicContact CB-CG2 4.37Å; R67-V252 HydrophobicContact CG-CG1 4.25Å; R67-V252 HydrophobicContact CG-CG2 4.1Å; Q246-V252 HydrophobicContact CG-CG1 3.9Å; Q246-V252 WeakPolarHBondContact O-CG1 3.33Å; G250-V252 PolarHBondContact O-N 3.19Å
253P98.8Very high98.7Very high7 Ų747.5 Ų47.55%0.04524%0.244CC..PPolyproline II helixtrans-77.2157.7178.232.3-34.4000111.8R73 A91 M228 C258R73-P253 HydrophobicContact CG-CG 4.25Å; A91-P253 HydrophobicContact CB-CG 3.81Å; A91-P253 VanDerWaalsContact O-CD 3.25Å; A91-P253 WeakPolarHBondContact O-CD 3.48Å; M228-P253 HydrophobicContact CE-CB 3.67Å; M228-P253 HydrophobicContact CE-CG 4.29Å; P253-C258 VanDerWaalsContact CG-SG 3.51Å
254S98.9Very high98.7Very high49 Ų4943.2 Ų43.234%0.34323%0.229SC..PPolyproline II helixtrans-60.5139.8166.9173.50000110.7F256 D257 C258S254-F256 PolarHBondContact O-N 2.74Å; S254-F256 WeakPolarHBondContact OG-CB 3.46Å; S254-F256 PolarHBondContact OG-N 2.86Å; S254-D257 PolarHBondContact O-N 3.32Å; S254-C258 PolarHBondContact O-N 3.01Å; S254-C258 PolarHBondContact O-SG 3.09Å
255P98.9Very high98.7Very high16 Ų1636.6 Ų36.610%0.10420%0.199CC..Hα-helixtrans-60-28171.2-2232.5000112.9L48 T72 C258 Y259L48-P255 HydrophobicContact CD2-CB 4.3Å; T72-P255 VanDerWaalsContact CG2-O 3.24Å; T72-P255 WeakPolarHBondContact CG2-O 3.24Å; P255-C258 WeakPolarHBondContact O-CB 3.42Å; P255-C258 PolarHBondContact O-N 3.46Å; P255-Y259 PolarHBondContact O-N 3.17Å; P255-Y259 VanDerWaalsContact O-N 3.09Å
256F98.9Very high98.7Very high95 Ų9537.7 Ų37.742%0.41720%0.203SC..Hα-helixtrans-66.5-46.4175-171.5-96.2000111.4I46 L48 S254 C258 Y259 L260I46-F256 HydrophobicContact CD1-CD2 3.84Å; I46-F256 HydrophobicContact CD1-CE2 4.02Å; I46-F256 HydrophobicContact CG2-CB 4.49Å; I46-F256 HydrophobicContact CG2-CD2 4.35Å; L48-F256 HydrophobicContact CD2-CB 4.27Å; S254-F256 PolarHBondContact O-N 2.74Å; S254-F256 WeakPolarHBondContact OG-CB 3.46Å; S254-F256 PolarHBondContact OG-N 2.86Å; F256-C258 VanDerWaalsContact C-N 3.26Å; F256-C258 PolarHBondContact O-N 3.11Å; F256-Y259 WeakPolarHBondContact O-CB 3.35Å; F256-Y259 PolarHBondContact O-N 3.38Å; F256-Y259 VanDerWaalsContact O-N 3.11Å; F256-L260 HydrophobicContact CD1-CD1 3.9Å; F256-L260 HydrophobicContact CD1-CG 4.28Å; F256-L260 HydrophobicContact CE1-CD1 3.55Å; F256-L260 HydrophobicContact CE1-CG 4.03Å; F256-L260 HydrophobicContact CZ-CD1 4.44Å; F256-L260 PolarHBondContact O-N 3.43Å
257D98.9Very high98.7Very high47 Ų4740.1 Ų40.125%0.25122%0.218SC..Hα-helixtrans-64.7-34.8176.3-635.1000111V226 M228 S254 Y259 L260 C261V226-D257 HydrophobicContact CG1-CB 3.93Å; V226-D257 HydrophobicContact CG2-CB 4.49Å; M228-D257 VanDerWaalsContact CE-C 3.45Å; M228-D257 HydrophobicContact CE-CB 3.74Å; M228-D257 WeakPolarHBondContact CE-O 3.47Å; S254-D257 PolarHBondContact O-N 3.32Å; D257-Y259 VanDerWaalsContact C-N 3.31Å; D257-Y259 PolarHBondContact O-N 2.99Å; D257-L260 PolarHBondContact O-N 3.2Å; D257-C261 WeakPolarHBondContact O-CB 3.12Å; D257-C261 PolarHBondContact O-N 3.26Å
258C98.9Very high98.7Very high0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-60.9-42.5173.6-640000111.5T72 R73 L76 P253 S254 P255 F256 N262T72-C258 HydrophobicContact CG2-CB 4.23Å; R73-C258 HydrophobicContact CB-CB 4.47Å; L76-C258 HydrophobicContact CB-CB 4.43Å; L76-C258 HydrophobicContact CD2-CB 4Å; P253-C258 VanDerWaalsContact CG-SG 3.51Å; S254-C258 PolarHBondContact O-N 3.01Å; S254-C258 PolarHBondContact O-SG 3.09Å; P255-C258 WeakPolarHBondContact O-CB 3.42Å; P255-C258 PolarHBondContact O-N 3.46Å; F256-C258 VanDerWaalsContact C-N 3.26Å; F256-C258 PolarHBondContact O-N 3.11Å; C258-N262 VanDerWaalsContact O-CB 3.23Å; C258-N262 WeakPolarHBondContact O-CB 3.36Å; C258-N262 PolarHBondContact O-N 3.16Å
259Y98.9Very high98.8Very high68 Ų6836.2 Ų36.227%0.26719%0.188SC..Hα-helixtrans-62.7-47.2175170.9-91.4000111.8V43 I46 P255 F256 D257 N262 R263V43-Y259 HydrophobicContact CG1-CE2 3.74Å; I46-Y259 HydrophobicContact CD1-CD1 3.6Å; I46-Y259 HydrophobicContact CD1-CD2 4.08Å; I46-Y259 HydrophobicContact CD1-CE1 4.03Å; I46-Y259 HydrophobicContact CD1-CE2 4.46Å; I46-Y259 HydrophobicContact CD1-CG 3.63Å; I46-Y259 HydrophobicContact CG1-CD1 4.13Å; I46-Y259 HydrophobicContact CG1-CD2 3.67Å; I46-Y259 HydrophobicContact CG1-CE2 4.22Å; I46-Y259 HydrophobicContact CG1-CG 3.62Å; P255-Y259 PolarHBondContact O-N 3.17Å; P255-Y259 VanDerWaalsContact O-N 3.09Å; F256-Y259 WeakPolarHBondContact O-CB 3.35Å; F256-Y259 PolarHBondContact O-N 3.38Å; F256-Y259 VanDerWaalsContact O-N 3.11Å; D257-Y259 VanDerWaalsContact C-N 3.31Å; D257-Y259 PolarHBondContact O-N 2.99Å; Y259-N262 PolarHBondContact O-N 2.52Å; Y259-R263 WeakPolarHBondContact O-CB 3.45Å; Y259-R263 PolarHBondContact O-N 2.98Å
260L98.9Very high98.8Very high36 Ų3637.5 Ų37.519%0.18820%0.195CC..Hα-helixtrans-62.1-47.3179.3-71.2-179000112V226 F256 D257 N262 R263 G264V226-L260 HydrophobicContact CG2-CB 3.49Å; V226-L260 VanDerWaalsContact CG2-CB 3.49Å; V226-L260 HydrophobicContact CG2-CD1 3.81Å; V226-L260 HydrophobicContact CG2-CG 4.33Å; F256-L260 HydrophobicContact CD1-CD1 3.9Å; F256-L260 HydrophobicContact CD1-CG 4.28Å; F256-L260 HydrophobicContact CE1-CD1 3.55Å; F256-L260 HydrophobicContact CE1-CG 4.03Å; F256-L260 HydrophobicContact CZ-CD1 4.44Å; F256-L260 PolarHBondContact O-N 3.43Å; D257-L260 PolarHBondContact O-N 3.2Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.14Å; L260-R263 WeakPolarHBondContact O-CB 3.24Å; L260-R263 PolarHBondContact O-N 3.1Å; L260-R263 VanDerWaalsContact O-N 3.16Å; L260-G264 PolarHBondContact O-N 2.92Å
261C98.9Very high98.8Very high0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-59.8-44.9175.5-176.50000111L76 N221 M228 D257 R263 G264 L265L76-C261 HydrophobicContact CD1-CB 4.44Å; L76-C261 HydrophobicContact CD2-CB 4.19Å; N221-C261 WeakPolarHBondContact OD1-CA 3.42Å; M228-C261 HydrophobicContact CE-CB 4.14Å; M228-C261 HydrophobicContact SD-CB 3.88Å; D257-C261 WeakPolarHBondContact O-CB 3.12Å; D257-C261 PolarHBondContact O-N 3.26Å; C261-R263 VanDerWaalsContact C-N 3.29Å; C261-R263 PolarHBondContact O-N 3.35Å; C261-G264 CarbonylContact O-C 3.54Å; C261-G264 WeakPolarHBondContact O-CA 3.22Å; C261-G264 PolarHBondContact O-N 2.92Å; C261-L265 WeakPolarHBondContact O-CG 3.01Å; C261-L265 PolarHBondContact O-N 3.29Å
262N98.9Very high98.9Very high8 Ų836 Ų364%0.04318%0.175CC..Hα-helixtrans-64.3-33.9178.4-153.2-4.2000112.3Q32 L76 C258 Y259 L260 L265 K266Q32-N262 PolarHBondContact NE2-ND2 3.14Å; L76-N262 HydrophobicContact CB-CB 4.34Å; L76-N262 HydrophobicContact CD1-CB 3.93Å; L76-N262 PolarHBondContact N-ND2 2.88Å; C258-N262 VanDerWaalsContact O-CB 3.23Å; C258-N262 WeakPolarHBondContact O-CB 3.36Å; C258-N262 PolarHBondContact O-N 3.16Å; Y259-N262 PolarHBondContact O-N 2.52Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.14Å; N262-L265 PolarHBondContact O-N 2.66Å; N262-K266 VanDerWaalsContact O-CE 3.25Å; N262-K266 WeakPolarHBondContact O-CE 3.35Å; N262-K266 WeakPolarHBondContact O-CG 3.4Å
263R98.9Very high98.9Very high153 Ų15337.1 Ų37.158%0.57718%0.178SC*.Hα-helixtrans-62.6-42.8169.7-176.2-176.5-173.7-97.8-0.2111.1Y259 L260 C261 L265 K266Y259-R263 WeakPolarHBondContact O-CB 3.45Å; Y259-R263 PolarHBondContact O-N 2.98Å; L260-R263 WeakPolarHBondContact O-CB 3.24Å; L260-R263 PolarHBondContact O-N 3.1Å; L260-R263 VanDerWaalsContact O-N 3.16Å; C261-R263 VanDerWaalsContact C-N 3.29Å; C261-R263 PolarHBondContact O-N 3.35Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 2.92Å; R263-K266 WeakPolarHBondContact O-CB 3.28Å; R263-K266 WeakPolarHBondContact O-CG 3.47Å; R263-K266 PolarHBondContact O-N 2.94Å
264G98.9Very high98.9Very high1 Ų139.8 Ų39.81%0.0119%0.19CC..Hα-helixtrans-62.7-34.9176.200000114.2N221 L260 C261 K266 T267 L268 R271N221-G264 WeakPolarHBondContact O-CA 3.38Å; L260-G264 PolarHBondContact O-N 2.92Å; C261-G264 CarbonylContact O-C 3.54Å; C261-G264 WeakPolarHBondContact O-CA 3.22Å; C261-G264 PolarHBondContact O-N 2.92Å; G264-K266 PolarHBondContact O-N 3.13Å; G264-T267 PolarHBondContact O-N 2.99Å; G264-T267 PolarHBondContact O-OG1 3.13Å; G264-L268 PolarHBondContact O-N 2.54Å; G264-R271 PolarHBondContact O-NH2 3.1Å
265L98.9Very high98.9Very high0 Ų037.5 Ų37.50%017%0.174CC..Hα-helixtrans-61.3-30.9176.8-67.1-179.7000112.9L76 A79 V80 L83 M220 C261 N262 R263 T267 L268L76-L265 HydrophobicContact CD1-CD1 3.51Å; L76-L265 HydrophobicContact CD1-CG 4.47Å; A79-L265 HydrophobicContact CB-CD1 4.37Å; V80-L265 HydrophobicContact CG2-CD1 3.61Å; L83-L265 HydrophobicContact CD1-CD1 4.39Å; L83-L265 HydrophobicContact CD1-CD2 4.2Å; M220-L265 HydrophobicContact CB-CD2 4.2Å; M220-L265 HydrophobicContact CE-CD2 3.87Å; M220-L265 WeakPolarHBondContact O-CD2 3.25Å; C261-L265 WeakPolarHBondContact O-CG 3.01Å; C261-L265 PolarHBondContact O-N 3.29Å; N262-L265 PolarHBondContact O-N 2.66Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 2.92Å; L265-T267 PolarHBondContact O-N 2.91Å; L265-T267 VanDerWaalsContact O-N 3.14Å; L265-L268 HydrophobicContact CD2-CD2 4.14Å; L265-L268 VanDerWaalsContact O-CB 3.27Å; L265-L268 WeakPolarHBondContact O-CB 3.43Å; L265-L268 PolarHBondContact O-N 3.39Å
266K98.9Very high98.9Very high49 Ų4936.7 Ų36.721%0.21317%0.169CC..THydrogen-bonded Turntrans-61.2-26.4-178.1-49.4-55.8167.281.30112.8A27 I28 Q32 N262 R263 G264 H269A27-K266 WeakPolarHBondContact O-CD 3.37Å; A27-K266 VanDerWaalsContact O-CE 3.24Å; A27-K266 WeakPolarHBondContact O-CE 3.47Å; I28-K266 PolarHBondContact O-NZ 3.43Å; Q32-K266 VanDerWaalsContact CD-NZ 3.27Å; N262-K266 VanDerWaalsContact O-CE 3.25Å; N262-K266 WeakPolarHBondContact O-CE 3.35Å; N262-K266 WeakPolarHBondContact O-CG 3.4Å; R263-K266 WeakPolarHBondContact O-CB 3.28Å; R263-K266 WeakPolarHBondContact O-CG 3.47Å; R263-K266 PolarHBondContact O-N 2.94Å; G264-K266 PolarHBondContact O-N 3.13Å; K266-H269 PolarHBondContact O-CE1 3.23Å; K266-H269 VanDerWaalsContact O-CE1 3.29Å
267T98.9Very high98.8Very high50 Ų5036 Ų3631%0.30717%0.166SC..THydrogen-bonded Turntrans-107.23.3178.259.70000113.2G264 L265 H269 L270 R271G264-T267 PolarHBondContact O-N 2.99Å; G264-T267 PolarHBondContact O-OG1 3.13Å; L265-T267 PolarHBondContact O-N 2.91Å; L265-T267 VanDerWaalsContact O-N 3.14Å; T267-H269 VanDerWaalsContact C-N 3.35Å; T267-H269 PolarHBondContact O-N 3.02Å; T267-L270 PolarHBondContact O-N 2.78Å; T267-L270 VanDerWaalsContact O-N 3.13Å; T267-R271 WeakPolarHBondContact O-CG 3.48Å; T267-R271 PolarHBondContact O-N 3.43Å; T267-R271 PolarHBondContact OG1-NE 2.83Å
268L98.9Very high98.8Very high0 Ų034 Ų340%016%0.155CC..Hα-helixtrans-54.3-47.9-174.3-179.363.4000112.5F23 L83 Y219 M220 G264 L265 L270 R271 M272F23-L268 HydrophobicContact CE1-CD2 4.19Å; F23-L268 HydrophobicContact CE1-CG 4.46Å; F23-L268 HydrophobicContact CZ-CD2 3.87Å; L83-L268 HydrophobicContact CD1-CD2 4.4Å; Y219-L268 VanDerWaalsContact O-CD1 3.3Å; Y219-L268 WeakPolarHBondContact O-CD1 3.31Å; M220-L268 HydrophobicContact SD-CD2 4.11Å; G264-L268 PolarHBondContact O-N 2.54Å; L265-L268 HydrophobicContact CD2-CD2 4.14Å; L265-L268 VanDerWaalsContact O-CB 3.27Å; L265-L268 WeakPolarHBondContact O-CB 3.43Å; L265-L268 PolarHBondContact O-N 3.39Å; L268-L270 PolarHBondContact O-N 2.81Å; L268-R271 PolarHBondContact O-N 3.5Å; L268-M272 HydrophobicContact CD1-CG 3.6Å; L268-M272 HydrophobicContact CD1-SD 4.07Å; L268-M272 HydrophobicContact CG-CG 4.11Å; L268-M272 WeakPolarHBondContact O-CB 3.41Å; L268-M272 WeakPolarHBondContact O-CG 3.38Å; L268-M272 PolarHBondContact O-N 2.88Å
269H98.8Very high98.8Very high29 Ų2934 Ų3413%0.13416%0.155CC..Hα-helixtrans-58.6-44.7178.763.5-72.2000113F23 A24 Y200 K266 T267 E273F23-H269 HydrophobicContact CD1-CB 4.12Å; F23-H269 HydrophobicContact CE1-CB 4.35Å; A24-H269 HydrophobicContact CB-CB 4.44Å; Y200-H269 HydrophobicContact CD2-CB 4.09Å; Y200-H269 HydrophobicContact CE2-CB 3.69Å; K266-H269 PolarHBondContact O-CE1 3.23Å; K266-H269 VanDerWaalsContact O-CE1 3.29Å; T267-H269 VanDerWaalsContact C-N 3.35Å; T267-H269 PolarHBondContact O-N 3.02Å; H269-E273 WeakPolarHBondContact O-CG 3.24Å; H269-E273 PolarHBondContact O-N 3.48Å
270L98.6Very high98.8Very high102 Ų10231.6 Ų31.653%0.53415%0.147SC..Hα-helixtrans-66.1-46.2177.7-60.6175.3000111.6T267 L268 Q274T267-L270 PolarHBondContact O-N 2.78Å; T267-L270 VanDerWaalsContact O-N 3.13Å; L268-L270 PolarHBondContact O-N 2.81Å; L270-Q274 PolarHBondContact O-N 3.45Å; L270-Q274 VanDerWaalsContact O-N 3.16Å
271R98.9Very high98.8Very high12 Ų1231.5 Ų31.55%0.04515%0.151CC..Hα-helixtrans-62.8-47.8-179.3-67.9-173.3-69.1101.9-6.6110.9Y219 M220 N221 G264 T267 L268 E273 Q274 H275 L386Y219-R271 PolarHBondContact O-NH1 3.34Å; Y219-R271 PolarHBondContact O-NH2 3Å; M220-R271 PolarHBondContact O-NH2 3.25Å; N221-R271 PolarHBondContact O-NH2 2.98Å; G264-R271 PolarHBondContact O-NH2 3.1Å; T267-R271 WeakPolarHBondContact O-CG 3.48Å; T267-R271 PolarHBondContact O-N 3.43Å; T267-R271 PolarHBondContact OG1-NE 2.83Å; L268-R271 PolarHBondContact O-N 3.5Å; R271-E273 PolarHBondContact O-N 3.26Å; R271-Q274 PolarHBondContact O-N 3.5Å; R271-H275 PolarHBondContact O-CD2 2.92Å; R271-H275 PolarHBondContact O-N 3.45Å; R271-L386 HydrophobicContact CB-CD1 4.16Å; R271-L386 HydrophobicContact CB-CD2 4.27Å; R271-L386 HydrophobicContact CG-CD1 3.69Å; R271-L386 WeakPolarHBondContact O-CD2 3.23Å
272M98.9Very high98.8Very high0 Ų031.5 Ų31.50%015%0.151CC..Hα-helixtrans-64.4-39-177.8-68.3-51.1-63.800112.5Y200 F201 Y219 L268 Q274 H275 F276 P317Y200-M272 HydrophobicContact CD1-CB 3.55Å; Y200-M272 HydrophobicContact CD1-CG 4.33Å; Y200-M272 HydrophobicContact CE1-CB 4.29Å; Y200-M272 HydrophobicContact CG-CB 4.23Å; F201-M272 HydrophobicContact CD2-CB 4.3Å; F201-M272 HydrophobicContact CD2-CE 3.56Å; F201-M272 HydrophobicContact CE2-CB 3.68Å; F201-M272 HydrophobicContact CE2-CE 3.65Å; F201-M272 WeakPolarHBondContact CE2-O 3.49Å; F201-M272 HydrophobicContact CZ-CB 3.89Å; F201-M272 VanDerWaalsContact CZ-O 3.25Å; F201-M272 WeakPolarHBondContact CZ-O 3.3Å; Y219-M272 HydrophobicContact CD1-CE 4.03Å; Y219-M272 HydrophobicContact CD1-SD 3.33Å; Y219-M272 WeakPolarHBondContact CD1-SD 3.23Å; Y219-M272 HydrophobicContact CD2-CE 4.23Å; Y219-M272 HydrophobicContact CD2-SD 4.39Å; Y219-M272 HydrophobicContact CE1-CE 4.27Å; Y219-M272 HydrophobicContact CE1-SD 3.97Å; Y219-M272 HydrophobicContact CE2-CE 4.48Å; Y219-M272 HydrophobicContact CG-CE 4.01Å; Y219-M272 HydrophobicContact CG-SD 3.58Å; Y219-M272 VanDerWaalsContact CG-SD 3.58Å; L268-M272 HydrophobicContact CD1-CG 3.6Å; L268-M272 HydrophobicContact CD1-SD 4.07Å; L268-M272 HydrophobicContact CG-CG 4.11Å; L268-M272 WeakPolarHBondContact O-CB 3.41Å; L268-M272 WeakPolarHBondContact O-CG 3.38Å; L268-M272 PolarHBondContact O-N 2.88Å; M272-Q274 VanDerWaalsContact C-N 3.34Å; M272-Q274 PolarHBondContact O-N 2.89Å; M272-H275 PolarHBondContact O-N 2.85Å; M272-F276 PolarHBondContact O-N 3.1Å; M272-P317 HydrophobicContact CE-CB 4.27Å
273E98.5Very high98.8Very high57 Ų5731.1 Ų31.127%0.26615%0.149SC..Hα-helixtrans-61.8-42.2173-75-172.9-166.500112.7F13 Y200 H269 R271 F276 K277F13-E273 HydrophobicContact CZ-CG 4.21Å; Y200-E273 HydrophobicContact CE1-CG 3.79Å; Y200-E273 PolarHBondContact OH-OE1 3.24Å; H269-E273 WeakPolarHBondContact O-CG 3.24Å; H269-E273 PolarHBondContact O-N 3.48Å; R271-E273 PolarHBondContact O-N 3.26Å; E273-F276 PolarHBondContact O-N 3.01Å; E273-K277 WeakPolarHBondContact O-CG 3.42Å; E273-K277 PolarHBondContact O-N 2.94Å
274Q98.8Very high98.8Very high64 Ų6429.3 Ų29.330%0.29915%0.145SC..Hα-helixtrans-69.3-41.3179.3-174.161.238.500111.6L270 R271 M272 F276 K277 N278 L386L270-Q274 PolarHBondContact O-N 3.45Å; L270-Q274 VanDerWaalsContact O-N 3.16Å; R271-Q274 PolarHBondContact O-N 3.5Å; M272-Q274 VanDerWaalsContact C-N 3.34Å; M272-Q274 PolarHBondContact O-N 2.89Å; Q274-F276 VanDerWaalsContact C-N 3.29Å; Q274-F276 PolarHBondContact O-N 2.92Å; Q274-K277 PolarHBondContact O-N 3.4Å; Q274-N278 PolarHBondContact NE2-ND2 3.46Å; Q274-N278 PolarHBondContact NE2-OD1 3.12Å; Q274-N278 WeakPolarHBondContact O-CB 3.34Å; Q274-N278 PolarHBondContact O-N 2.81Å; Q274-L386 HydrophobicContact CB-CD2 3.77Å; Q274-L386 HydrophobicContact CG-CB 4.41Å; Q274-L386 HydrophobicContact CG-CD2 3.88Å
275H98.9Very high98.8Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-54.9-45.1170.4-75.6-56.8000111.6Y219 R271 M272 N278 A279 G349 V384Y219-H275 AromaticContact CD1-CD2 3.83Å; Y219-H275 AromaticContact CD1-NE2 3.86Å; Y219-H275 AromaticContact CE1-CD2 3.47Å; Y219-H275 VanDerWaalsContact CE1-CD2 3.47Å; Y219-H275 WeakPolarHBondContact CE1-CD2 3.07Å; Y219-H275 AromaticContact CE1-CE1 3.95Å; Y219-H275 AromaticContact CE1-CG 3.84Å; Y219-H275 AromaticContact CE1-NE2 3.56Å; R271-H275 PolarHBondContact O-CD2 2.92Å; R271-H275 PolarHBondContact O-N 3.45Å; M272-H275 PolarHBondContact O-N 2.85Å; H275-N278 PolarHBondContact O-N 2.76Å; H275-A279 WeakPolarHBondContact O-CB 3.47Å; H275-A279 PolarHBondContact O-N 3.17Å; H275-G349 PolarHBondContact CE1-O 3.48Å; H275-G349 PolarHBondContact NE2-O 3.36Å; H275-V384 PolarHBondContact ND1-O 3.06Å
276F98.8Very high98.8Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-64.1-46.3179.6-173.7-164.2000111.8L12 F13 F16 F201 M272 E273 Q274 N278 A279 M280 F297 C316L12-F276 HydrophobicContact CD1-CD1 4.36Å; L12-F276 HydrophobicContact CD1-CD2 4.09Å; L12-F276 HydrophobicContact CD1-CE1 4.05Å; L12-F276 HydrophobicContact CD1-CE2 3.75Å; L12-F276 HydrophobicContact CD1-CG 4.38Å; L12-F276 HydrophobicContact CD1-CZ 3.72Å; L12-F276 HydrophobicContact CD2-CD1 4.1Å; L12-F276 HydrophobicContact CD2-CE1 4.36Å; L12-F276 HydrophobicContact CD2-CG 4.32Å; L12-F276 HydrophobicContact CG-CD1 4.01Å; L12-F276 HydrophobicContact CG-CE1 3.76Å; L12-F276 HydrophobicContact CG-CE2 4.36Å; L12-F276 HydrophobicContact CG-CG 4.42Å; L12-F276 HydrophobicContact CG-CZ 3.94Å; L12-F276 WeakPolarHBondContact O-CZ 3.44Å; F13-F276 HydrophobicContact CD1-CD1 4.05Å; F13-F276 AromaticContact CD1-CE1 3.75Å; F13-F276 HydrophobicContact CD1-CE1 3.75Å; F13-F276 AromaticContact CE1-CD1 3.46Å; F13-F276 HydrophobicContact CE1-CD1 3.46Å; F13-F276 VanDerWaalsContact CE1-CD1 3.46Å; F13-F276 AromaticContact CE1-CE1 3.68Å; F13-F276 HydrophobicContact CE1-CE1 3.68Å; F13-F276 HydrophobicContact CG-CE1 4.37Å; F13-F276 AromaticContact CZ-CD1 3.73Å; F13-F276 HydrophobicContact CZ-CD1 3.73Å; F13-F276 HydrophobicContact CZ-CE1 4.22Å; F16-F276 AromaticContact CE2-CZ 3.96Å; F16-F276 HydrophobicContact CE2-CZ 3.96Å; F16-F276 HydrophobicContact CZ-CZ 4.11Å; F201-F276 HydrophobicContact CE2-CB 4.2Å; F201-F276 HydrophobicContact CZ-CB 3.88Å; F201-F276 HydrophobicContact CZ-CD1 4.23Å; F201-F276 HydrophobicContact CZ-CG 4.41Å; M272-F276 PolarHBondContact O-N 3.1Å; E273-F276 PolarHBondContact O-N 3.01Å; Q274-F276 VanDerWaalsContact C-N 3.29Å; Q274-F276 PolarHBondContact O-N 2.92Å; F276-N278 PolarHBondContact O-N 3.49Å; F276-A279 PolarHBondContact O-N 3.3Å; F276-M280 HydrophobicContact CD2-CB 4.49Å; F276-M280 HydrophobicContact CE2-CB 4.42Å; F276-M280 HydrophobicContact CE2-CE 3.78Å; F276-M280 HydrophobicContact CZ-CE 4.22Å; F276-M280 VanDerWaalsContact O-CB 3.31Å; F276-M280 WeakPolarHBondContact O-CB 3.19Å; F276-M280 PolarHBondContact O-N 3.46Å; F276-F297 HydrophobicContact CD2-CZ 4.2Å; F276-F297 HydrophobicContact CE2-CE1 4.45Å; F276-F297 HydrophobicContact CE2-CZ 4.25Å; F276-C316 WeakPolarHBondContact CB-O 3.37Å; F276-C316 HydrophobicContact CD2-CB 3.66Å; F276-C316 HydrophobicContact CE2-CB 3.53Å; F276-C316 HydrophobicContact CG-CB 4.43Å; F276-C316 WeakPolarHBondContact CG-O 3.41Å; F276-C316 HydrophobicContact CZ-CB 4.17Å
277K98.7Very high98.8Very high80 Ų8033 Ų3335%0.34816%0.163SC..Hα-helixtrans-56.4-51.9176.7-73.1166-172.8165.20111.3L12 E273 Q274 M280 A281L12-K277 HydrophobicContact CD2-CB 4.21Å; L12-K277 HydrophobicContact CD2-CG 3.36Å; E273-K277 WeakPolarHBondContact O-CG 3.42Å; E273-K277 PolarHBondContact O-N 2.94Å; Q274-K277 PolarHBondContact O-N 3.4Å; K277-M280 PolarHBondContact O-N 2.98Å; K277-A281 PolarHBondContact O-N 3.1Å; K277-A281 VanDerWaalsContact O-N 3.1Å
278N98.9Very high98.7Very high4 Ų434.7 Ų34.72%0.02118%0.181CC..Hα-helixtrans-65.1-44.8-178.1-76.3-4.3000111.8Q274 H275 F276 M280 A281 A282 V384 G385 E387 I392Q274-N278 PolarHBondContact NE2-ND2 3.46Å; Q274-N278 PolarHBondContact NE2-OD1 3.12Å; Q274-N278 WeakPolarHBondContact O-CB 3.34Å; Q274-N278 PolarHBondContact O-N 2.81Å; H275-N278 PolarHBondContact O-N 2.76Å; F276-N278 PolarHBondContact O-N 3.49Å; N278-M280 PolarHBondContact O-N 3.4Å; N278-A281 PolarHBondContact O-N 2.87Å; N278-A282 WeakPolarHBondContact O-CB 3.2Å; N278-A282 PolarHBondContact O-N 3.09Å; N278-V384 HydrophobicContact CB-CG1 3.61Å; N278-G385 PolarHBondContact ND2-O 2.98Å; N278-E387 PolarHBondContact ND2-O 3.03Å; N278-I392 HydrophobicContact CB-CD1 3.81Å
279A98.8Very high98.7Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-67.2-37.3179.100000112.7H275 F276 A281 A282 A283 F297 I320 V384H275-A279 WeakPolarHBondContact O-CB 3.47Å; H275-A279 PolarHBondContact O-N 3.17Å; F276-A279 PolarHBondContact O-N 3.3Å; A279-A281 VanDerWaalsContact C-N 3.33Å; A279-A281 PolarHBondContact O-N 3.44Å; A279-A282 PolarHBondContact O-N 3.21Å; A279-A283 WeakPolarHBondContact O-CB 3.42Å; A279-A283 PolarHBondContact O-N 3.47Å; A279-F297 HydrophobicContact CB-CE2 4.03Å; A279-F297 HydrophobicContact CB-CZ 3.92Å; A279-I320 HydrophobicContact CB-CD1 4.11Å; A279-I320 HydrophobicContact CB-CG1 4.15Å; A279-I320 WeakPolarHBondContact O-CD1 3.49Å; A279-V384 HydrophobicContact CB-CB 4.23Å; A279-V384 HydrophobicContact CB-CG2 4.34Å
280M98.7Very high98.7Very high19 Ų1938.7 Ų38.79%0.09421%0.209CC..Hα-helixtrans-62.1-42.2173.2179.663.874.700111.6L12 F276 K277 N278 K284 F297 G299 L300L12-M280 HydrophobicContact CD1-CB 3.61Å; L12-M280 HydrophobicContact CD1-CE 4.05Å; L12-M280 HydrophobicContact CD1-CG 3.61Å; F276-M280 HydrophobicContact CD2-CB 4.49Å; F276-M280 HydrophobicContact CE2-CB 4.42Å; F276-M280 HydrophobicContact CE2-CE 3.78Å; F276-M280 HydrophobicContact CZ-CE 4.22Å; F276-M280 VanDerWaalsContact O-CB 3.31Å; F276-M280 WeakPolarHBondContact O-CB 3.19Å; F276-M280 PolarHBondContact O-N 3.46Å; K277-M280 PolarHBondContact O-N 2.98Å; N278-M280 PolarHBondContact O-N 3.4Å; M280-K284 HydrophobicContact CG-CD 4.31Å; M280-K284 WeakPolarHBondContact O-CB 3.47Å; M280-K284 WeakPolarHBondContact O-CG 3.4Å; M280-K284 PolarHBondContact O-N 3.37Å; M280-K284 HydrophobicContact SD-CD 4.23Å; M280-K284 HydrophobicContact SD-CG 4.22Å; M280-F297 HydrophobicContact CB-CE1 4.25Å; M280-F297 HydrophobicContact CE-CE1 4.01Å; M280-F297 HydrophobicContact SD-CE1 4.18Å; M280-G299 WeakPolarHBondContact CE-O 3.46Å; M280-L300 HydrophobicContact SD-CD2 4.28Å
281A98.7Very high98.7Very high34 Ų3435.2 Ų35.228%0.28119%0.189SC..Hα-helixtrans-63.5-49.317700000111.8K277 N278 A279 A283 K284 F285 I393K277-A281 PolarHBondContact O-N 3.1Å; K277-A281 VanDerWaalsContact O-N 3.1Å; N278-A281 PolarHBondContact O-N 2.87Å; A279-A281 VanDerWaalsContact C-N 3.33Å; A279-A281 PolarHBondContact O-N 3.44Å; A281-A283 PolarHBondContact O-N 2.81Å; A281-K284 PolarHBondContact O-N 3.08Å; A281-F285 WeakPolarHBondContact O-CB 3.39Å; A281-F285 PolarHBondContact O-N 3.33Å; A281-I393 HydrophobicContact CB-CD1 4.35Å
282A98.8Very high98.7Very high0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-62.9-41.4177.300000112.3N278 A279 F285 L286 I320 V384 I392 L396N278-A282 WeakPolarHBondContact O-CB 3.2Å; N278-A282 PolarHBondContact O-N 3.09Å; A279-A282 PolarHBondContact O-N 3.21Å; A282-F285 PolarHBondContact O-N 3.45Å; A282-L286 WeakPolarHBondContact O-CB 3.27Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.25Å; A282-L286 PolarHBondContact O-N 3.28Å; A282-I320 HydrophobicContact CB-CD1 3.73Å; A282-V384 HydrophobicContact CB-CG2 4.33Å; A282-I392 HydrophobicContact CB-CG2 3.96Å; A282-L396 HydrophobicContact CB-CD1 4Å
283A98.8Very high98.6Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-65-42.9179.100000111.8A279 A281 L286 E287 V295 F297 L300 I320A279-A283 WeakPolarHBondContact O-CB 3.42Å; A279-A283 PolarHBondContact O-N 3.47Å; A281-A283 PolarHBondContact O-N 2.81Å; A283-L286 PolarHBondContact O-N 2.77Å; A283-E287 VanDerWaalsContact O-CB 3.27Å; A283-E287 WeakPolarHBondContact O-CB 3.35Å; A283-E287 PolarHBondContact O-N 3.34Å; A283-V295 HydrophobicContact CB-CG1 4.33Å; A283-F297 HydrophobicContact CB-CB 3.85Å; A283-F297 HydrophobicContact CB-CD1 3.46Å; A283-F297 VanDerWaalsContact CB-CD1 3.46Å; A283-F297 HydrophobicContact CB-CE1 4.19Å; A283-F297 HydrophobicContact CB-CG 3.77Å; A283-L300 HydrophobicContact CB-CD1 4Å; A283-L300 HydrophobicContact CB-CD2 4.44Å; A283-L300 HydrophobicContact CB-CG 4.29Å; A283-I320 HydrophobicContact CB-CD1 3.97Å; A283-I320 HydrophobicContact CB-CG1 4.39Å
284K98.6Very high98.6Very high114 Ų11444.9 Ų44.950%0.49623%0.23SC..Hα-helixtrans-63.8-41.7174.4-76.5179175.2179.70112.1M280 A281 E287 A288 L300M280-K284 HydrophobicContact CG-CD 4.31Å; M280-K284 WeakPolarHBondContact O-CB 3.47Å; M280-K284 WeakPolarHBondContact O-CG 3.4Å; M280-K284 PolarHBondContact O-N 3.37Å; M280-K284 HydrophobicContact SD-CD 4.23Å; M280-K284 HydrophobicContact SD-CG 4.22Å; A281-K284 PolarHBondContact O-N 3.08Å; K284-E287 PolarHBondContact O-N 3.14Å; K284-A288 WeakPolarHBondContact O-CB 3.27Å; K284-A288 PolarHBondContact O-N 3.16Å; K284-A288 VanDerWaalsContact O-N 3.17Å; K284-L300 HydrophobicContact CG-CD2 4Å
285F98.8Very high98.6Very high43 Ų4342.4 Ų42.419%0.18922%0.219CC..Hα-helixtrans-59-52.8174.7167.5-100.7000111A281 A282 E287 A288 D289 I393 L396 D397 L400A281-F285 WeakPolarHBondContact O-CB 3.39Å; A281-F285 PolarHBondContact O-N 3.33Å; A282-F285 PolarHBondContact O-N 3.45Å; F285-E287 VanDerWaalsContact C-N 3.35Å; F285-E287 PolarHBondContact O-N 2.97Å; F285-A288 PolarHBondContact O-N 3.13Å; F285-D289 PolarHBondContact O-N 2.74Å; F285-I393 HydrophobicContact CB-CG1 4.32Å; F285-I393 HydrophobicContact CB-CG2 4.48Å; F285-I393 HydrophobicContact CD1-CG2 4.34Å; F285-I393 HydrophobicContact CD2-CG2 3.62Å; F285-I393 HydrophobicContact CE2-CG2 3.9Å; F285-I393 HydrophobicContact CG-CG1 4.45Å; F285-I393 HydrophobicContact CG-CG2 3.87Å; F285-I393 HydrophobicContact CZ-CG2 4.4Å; F285-L396 HydrophobicContact CD1-CB 4.25Å; F285-L396 HydrophobicContact CD1-CD1 4.37Å; F285-L396 HydrophobicContact CE1-CB 3.79Å; F285-D397 HydrophobicContact CE1-CB 4.49Å; F285-D397 HydrophobicContact CE2-CB 4.26Å; F285-D397 HydrophobicContact CZ-CB 3.65Å; F285-L400 HydrophobicContact CE1-CD1 4.11Å; F285-L400 HydrophobicContact CZ-CD1 4.47Å
286L98.9Very high98.6Very high0 Ų043.2 Ų43.20%022%0.223CC..Hα-helixtrans-62.4-39.5180-69.6168.7000112.1A282 A283 A288 D289 V292 V295 I320 F322 L382 L396 L400A282-L286 WeakPolarHBondContact O-CB 3.27Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.25Å; A282-L286 PolarHBondContact O-N 3.28Å; A283-L286 PolarHBondContact O-N 2.77Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.31Å; L286-D289 PolarHBondContact O-N 3.2Å; L286-V292 HydrophobicContact CB-CG2 4.35Å; L286-V292 HydrophobicContact CD2-CG2 3.9Å; L286-V292 VanDerWaalsContact O-CB 3.22Å; L286-V292 WeakPolarHBondContact O-CB 3.32Å; L286-V292 WeakPolarHBondContact O-CG1 3.39Å; L286-V295 HydrophobicContact CB-CG2 3.6Å; L286-I320 HydrophobicContact CD1-CG2 4.26Å; L286-F322 HydrophobicContact CD1-CD1 4.03Å; L286-F322 HydrophobicContact CD1-CE1 4.32Å; L286-F322 HydrophobicContact CD1-CG 4.35Å; L286-F322 HydrophobicContact CD2-CE2 4.45Å; L286-F322 HydrophobicContact CD2-CZ 4.45Å; L286-L382 HydrophobicContact CD1-CD1 3.9Å; L286-L396 HydrophobicContact CD1-CD1 4.46Å; L286-L396 HydrophobicContact CG-CD1 4.45Å; L286-L400 HydrophobicContact CD2-CD1 4.11Å
287E98.7Very high98.6Very high86 Ų8643.2 Ų43.240%0.40222%0.223SC..Hα-helixtrans-67.5-31.7-179-177.3173-115.400112.4A283 K284 F285 D289 V295 L300 S302A283-E287 VanDerWaalsContact O-CB 3.27Å; A283-E287 WeakPolarHBondContact O-CB 3.35Å; A283-E287 PolarHBondContact O-N 3.34Å; K284-E287 PolarHBondContact O-N 3.14Å; F285-E287 VanDerWaalsContact C-N 3.35Å; F285-E287 PolarHBondContact O-N 2.97Å; E287-D289 VanDerWaalsContact C-N 3.34Å; E287-V295 HydrophobicContact CB-CB 4.3Å; E287-V295 HydrophobicContact CB-CG2 4.02Å; E287-L300 HydrophobicContact CB-CD1 4.18Å; E287-L300 HydrophobicContact CG-CD1 4.48Å; E287-S302 WeakPolarHBondContact OE1-CB 3.24Å; E287-S302 PolarHBondContact OE1-OG 3.43Å
288A98.5Very high98.5Very high85 Ų8539.4 Ų39.470%0.70221%0.206SC*.Hα-helixtrans-82.7-10.7176.200000113.5K284 F285 L286K284-A288 WeakPolarHBondContact O-CB 3.27Å; K284-A288 PolarHBondContact O-N 3.16Å; K284-A288 VanDerWaalsContact O-N 3.17Å; F285-A288 PolarHBondContact O-N 3.13Å; L286-A288 VanDerWaalsContact C-N 3.3Å; L286-A288 PolarHBondContact O-N 3.31Å
289D98.4Very high98.5Very high15 Ų1539.3 Ų39.38%0.0821%0.206CC..  trans-82127.3-171.1-163.4-77000112.8F285 L286 E287 R291 V292F285-D289 PolarHBondContact O-N 2.74Å; L286-D289 PolarHBondContact O-N 3.2Å; E287-D289 VanDerWaalsContact C-N 3.34Å; D289-R291 PolarHBondContact O-N 2.9Å; D289-R291 VanDerWaalsContact O-N 3.09Å; D289-R291 WeakPolarHBondContact OD1-CB 3.4Å; D289-R291 IonicContact OD1-CZ 3.58Å; D289-R291 PolarHBondContact OD1-N 3.43Å; D289-R291 IonicContact OD1-NE 3.52Å; D289-R291 PolarHBondContact OD1-NE 3.17Å; D289-R291 IonicContact OD1-NH2 2.7Å; D289-R291 IonicContact OD2-CZ 2.8Å; D289-R291 IonicContact OD2-NE 3.16Å; D289-R291 PolarHBondContact OD2-NE 3.31Å; D289-R291 IonicContact OD2-NH2 3.16Å; D289-R291 PolarHBondContact OD2-NH2 2.88Å; D289-V292 HydrophobicContact CB-CB 4.39Å; D289-V292 HydrophobicContact CB-CG2 4.05Å; D289-V292 PolarHBondContact O-N 2.81Å; D289-V292 VanDerWaalsContact O-N 3.1Å
290P97.8Very high98.4Very high98 Ų9839.4 Ų39.464%0.63621%0.207SC*.THydrogen-bonded Turntrans-66.8-14.1-177.328-36.5000114.5K325P290-K325 WeakPolarHBondContact O-CD 3.12Å; P290-K325 WeakPolarHBondContact O-CE 3.49Å; P290-K325 PolarHBondContact O-NZ 3.43Å
291R98.3Very high98.4Very high29 Ų2943.2 Ų43.211%0.10923%0.233CC..THydrogen-bonded Turntrans-90.2-10.8178.5-58.5161.9-72.6-175.60.1112.4D289 K325 D397 L400 N401 H404D289-R291 PolarHBondContact O-N 2.9Å; D289-R291 VanDerWaalsContact O-N 3.09Å; D289-R291 WeakPolarHBondContact OD1-CB 3.4Å; D289-R291 IonicContact OD1-CZ 3.58Å; D289-R291 PolarHBondContact OD1-N 3.43Å; D289-R291 IonicContact OD1-NE 3.52Å; D289-R291 PolarHBondContact OD1-NE 3.17Å; D289-R291 IonicContact OD1-NH2 2.7Å; D289-R291 IonicContact OD2-CZ 2.8Å; D289-R291 IonicContact OD2-NE 3.16Å; D289-R291 PolarHBondContact OD2-NE 3.31Å; D289-R291 IonicContact OD2-NH2 3.16Å; D289-R291 PolarHBondContact OD2-NH2 2.88Å; R291-K325 WeakPolarHBondContact O-CB 3.37Å; R291-K325 WeakPolarHBondContact O-CG 3.42Å; R291-K325 PolarHBondContact O-N 2.66Å; R291-D397 IonicContact CZ-OD1 3.46Å; R291-D397 PolarHBondContact NH1-O 3.5Å; R291-D397 IonicContact NH1-OD1 3.48Å; R291-D397 IonicContact NH2-OD1 2.65Å; R291-D397 PolarHBondContact NH2-OD1 3.5Å; R291-L400 HydrophobicContact CB-CD2 4.35Å; R291-L400 VanDerWaalsContact NH1-C 3.26Å; R291-N401 VanDerWaalsContact NH1-CA 3.32Å; R291-N401 PolarHBondContact NH1-OD1 3.42Å; R291-H404 HydrophobicContact CB-CB 4.36Å; R291-H404 HydrophobicContact CG-CB 3.75Å
292V98.6Very high98.4Very high10 Ų1044.7 Ų44.76%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-95134.8174.5175.10000108.7L286 D289 V295 F322 K325 L400L286-V292 HydrophobicContact CB-CG2 4.35Å; L286-V292 HydrophobicContact CD2-CG2 3.9Å; L286-V292 VanDerWaalsContact O-CB 3.22Å; L286-V292 WeakPolarHBondContact O-CB 3.32Å; L286-V292 WeakPolarHBondContact O-CG1 3.39Å; D289-V292 HydrophobicContact CB-CB 4.39Å; D289-V292 HydrophobicContact CB-CG2 4.05Å; D289-V292 PolarHBondContact O-N 2.81Å; D289-V292 VanDerWaalsContact O-N 3.1Å; V292-V295 HydrophobicContact CG1-CG2 3.81Å; V292-F322 HydrophobicContact CG1-CB 4.39Å; V292-F322 HydrophobicContact CG1-CD2 4Å; V292-F322 HydrophobicContact CG2-CD2 4.12Å; V292-F322 HydrophobicContact CG2-CE2 4.27Å; V292-K325 WeakPolarHBondContact O-CE 3.22Å; V292-L400 HydrophobicContact CG2-CD1 4.28Å; V292-L400 HydrophobicContact CG2-CD2 4.38Å
293E98.3Very high98.3Very high130 Ų13045.1 Ų45.161%0.60724%0.243SC*.EExtended strand (participates in β ladder)trans-83.6-44.9178.4-179.562.6-163.500110.8Y323 K325E293-Y323 WeakPolarHBondContact CB-O 3.48Å; E293-Y323 PolarHBondContact N-O 2.7Å; E293-K325 HydrophobicContact CB-CG 3.88Å; E293-K325 WeakPolarHBondContact OE2-CE 3.36Å
294R98.1Very high98.3Very high132 Ų13250.5 Ų50.550%0.49828%0.278SS..EExtended strand (participates in β ladder)trans-160.2139.3-176.7-177.8173.467.7171.62.3110.9F322 Y323R294-F322 CarbonylContact O-C 3.22Å; R294-F322 VanDerWaalsContact O-CA 3.22Å; R294-F322 WeakPolarHBondContact O-CA 3.27Å; R294-F322 WeakPolarHBondContact O-CB 3.49Å; R294-Y323 HydrophobicContact CB-CD2 4.2Å; R294-Y323 VanDerWaalsContact NH2-CZ 3.31Å; R294-Y323 PolarHBondContact NH2-OH 3.21Å; R294-Y323 PolarHBondContact O-N 2.86Å
295V98.7Very high98.3Very high11 Ų1147.2 Ų47.27%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-105.9142.5168.7-178.60000109.6A283 L286 E287 V292 F297 L300 I320 F322A283-V295 HydrophobicContact CB-CG1 4.33Å; L286-V295 HydrophobicContact CB-CG2 3.6Å; E287-V295 HydrophobicContact CB-CB 4.3Å; E287-V295 HydrophobicContact CB-CG2 4.02Å; V292-V295 HydrophobicContact CG1-CG2 3.81Å; V295-F297 HydrophobicContact CG1-CB 4.2Å; V295-L300 HydrophobicContact CB-CD1 4.18Å; V295-L300 HydrophobicContact CG1-CD1 3.74Å; V295-I320 HydrophobicContact CG1-CG2 3.94Å; V295-F322 HydrophobicContact CG2-CB 4.12Å
296I98.7Very high98.3Very high18 Ų1847.5 Ų47.59%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-121.9100170.7-48.4177.1000107.1M168 M169 T321 Y323M168-I296 HydrophobicContact CE-CD1 4.09Å; M168-I296 WeakPolarHBondContact O-CG2 3.48Å; M169-I296 HydrophobicContact CB-CG2 3.84Å; I296-T321 CarbonylContact C-O 3.56Å; I296-T321 WeakPolarHBondContact CA-O 3.48Å; I296-T321 HydrophobicContact CD1-CG2 4.28Å; I296-T321 PolarHBondContact N-O 3.44Å; I296-T321 PolarHBondContact O-N 3.4Å; I296-T321 VanDerWaalsContact O-N 3.09Å; I296-Y323 HydrophobicContact CD1-CE2 3.84Å; I296-Y323 HydrophobicContact CG1-CE2 4.49Å
297F98.7Very high98.3Very high0 Ų052.7 Ų52.70%029%0.293CS..  trans-138.3119.8173.7-179.6-127.3000108.8F276 A279 M280 A283 V295 G299 L300 H303 C316 P317 M319 I320F276-F297 HydrophobicContact CD2-CZ 4.2Å; F276-F297 HydrophobicContact CE2-CE1 4.45Å; F276-F297 HydrophobicContact CE2-CZ 4.25Å; A279-F297 HydrophobicContact CB-CE2 4.03Å; A279-F297 HydrophobicContact CB-CZ 3.92Å; M280-F297 HydrophobicContact CB-CE1 4.25Å; M280-F297 HydrophobicContact CE-CE1 4.01Å; M280-F297 HydrophobicContact SD-CE1 4.18Å; A283-F297 HydrophobicContact CB-CB 3.85Å; A283-F297 HydrophobicContact CB-CD1 3.46Å; A283-F297 VanDerWaalsContact CB-CD1 3.46Å; A283-F297 HydrophobicContact CB-CE1 4.19Å; A283-F297 HydrophobicContact CB-CG 3.77Å; V295-F297 HydrophobicContact CG1-CB 4.2Å; F297-G299 PolarHBondContact O-N 3.28Å; F297-L300 HydrophobicContact CB-CD1 4.02Å; F297-L300 HydrophobicContact CB-CG 4.12Å; F297-L300 HydrophobicContact CD1-CG 4.03Å; F297-L300 PolarHBondContact O-N 3.44Å; F297-H303 WeakPolarHBondContact O-CB 3.47Å; F297-C316 HydrophobicContact CE1-CB 4.49Å; F297-C316 HydrophobicContact CE2-CB 3.95Å; F297-C316 HydrophobicContact CZ-CB 3.66Å; F297-P317 WeakPolarHBondContact CE2-O 3.27Å; F297-M319 VanDerWaalsContact CD2-O 3.23Å; F297-M319 WeakPolarHBondContact CD2-O 3.29Å; F297-I320 HydrophobicContact CD2-CG1 4.09Å
298P97.6Very high98.2Very high0 Ų050.1 Ų50.10%028%0.281CS..THydrogen-bonded Turntrans-60-12.1-177-2836.1000115.7P164 M169 V171 Y306 M309P164-P298 HydrophobicContact CB-CG 4.27Å; P164-P298 HydrophobicContact CG-CG 3.99Å; M169-P298 HydrophobicContact CB-CG 4.24Å; M169-P298 VanDerWaalsContact CE-CD 3.41Å; M169-P298 HydrophobicContact CE-CG 3.7Å; V171-P298 HydrophobicContact CG2-CB 4.16Å; V171-P298 HydrophobicContact CG2-CG 4.12Å; P298-Y306 WeakPolarHBondContact O-CD2 3.39Å; P298-M309 HydrophobicContact CB-CB 4.26Å; P298-M309 HydrophobicContact CB-CE 3.94Å; P298-M309 HydrophobicContact CB-CG 3.65Å; P298-M309 HydrophobicContact CB-SD 3.79Å
299G97.3Very high98.2Very high2 Ų246.1 Ų46.12%0.02125%0.248CC..THydrogen-bonded Turntrans-84.2-11.5173.300000114.7M280 F297 Y306 C316M280-G299 WeakPolarHBondContact CE-O 3.46Å; F297-G299 PolarHBondContact O-N 3.28Å; G299-Y306 WeakPolarHBondContact O-CE2 3.26Å; G299-C316 WeakPolarHBondContact CA-SG 3.44Å; G299-C316 PolarHBondContact N-SG 3.26Å; G299-C316 VanDerWaalsContact N-SG 3.44Å
300L98.3Very high98.2Very high2 Ų247.1 Ų47.11%0.0125%0.252CS..SBendtrans-88.4141.1178.1-67173.4000111.4M280 A283 K284 E287 V295 F297 S302 H303 Y306M280-L300 HydrophobicContact SD-CD2 4.28Å; A283-L300 HydrophobicContact CB-CD1 4Å; A283-L300 HydrophobicContact CB-CD2 4.44Å; A283-L300 HydrophobicContact CB-CG 4.29Å; K284-L300 HydrophobicContact CG-CD2 4Å; E287-L300 HydrophobicContact CB-CD1 4.18Å; E287-L300 HydrophobicContact CG-CD1 4.48Å; V295-L300 HydrophobicContact CB-CD1 4.18Å; V295-L300 HydrophobicContact CG1-CD1 3.74Å; F297-L300 HydrophobicContact CB-CD1 4.02Å; F297-L300 HydrophobicContact CB-CG 4.12Å; F297-L300 HydrophobicContact CD1-CG 4.03Å; F297-L300 PolarHBondContact O-N 3.44Å; L300-S302 WeakPolarHBondContact CB-OG 3.43Å; L300-S302 PolarHBondContact O-N 2.99Å; L300-S302 VanDerWaalsContact O-N 3.14Å; L300-H303 VanDerWaalsContact O-CB 3.26Å; L300-H303 WeakPolarHBondContact O-CB 3.08Å; L300-H303 PolarHBondContact O-N 2.89Å; L300-Y306 VanDerWaalsContact O-CD2 3.24Å; L300-Y306 WeakPolarHBondContact O-CD2 3.48Å
301P97.7Very high98.2Very high98 Ų9849.3 Ų49.364%0.63625%0.251SS*.THydrogen-bonded Turntrans-58.1-22.9172.6-25.835.3000114.8H303 Y306P301-H303 PolarHBondContact O-N 3.34Å; P301-Y306 HydrophobicContact CB-CD1 4.29Å; P301-Y306 HydrophobicContact CB-CE1 4.2Å; P301-Y306 HydrophobicContact CG-CE1 4.13Å
302S97.9Very high98.3Very high66 Ų6648.1 Ų48.146%0.46225%0.247SC..THydrogen-bonded Turntrans-71.4-15.8175.158.80000113.5E287 L300E287-S302 WeakPolarHBondContact OE1-CB 3.24Å; E287-S302 PolarHBondContact OE1-OG 3.43Å; L300-S302 WeakPolarHBondContact CB-OG 3.43Å; L300-S302 PolarHBondContact O-N 2.99Å; L300-S302 VanDerWaalsContact O-N 3.14Å
303H98.6Very high98.3Very high9 Ų947.7 Ų47.74%0.04224%0.244CC..SBendtrans-69.6129.6179.4-166.9-85.5000110.7M169 F297 L300 P301 Q305 Y306M169-H303 PolarHBondContact O-CE1 3.44Å; M169-H303 PolarHBondContact O-NE2 2.79Å; M169-H303 VanDerWaalsContact O-NE2 3.13Å; F297-H303 WeakPolarHBondContact O-CB 3.47Å; L300-H303 VanDerWaalsContact O-CB 3.26Å; L300-H303 WeakPolarHBondContact O-CB 3.08Å; L300-H303 PolarHBondContact O-N 2.89Å; P301-H303 PolarHBondContact O-N 3.34Å; H303-Q305 PolarHBondContact CE1-OE1 2.78Å; H303-Q305 PolarHBondContact ND1-N 3.09Å; H303-Q305 PolarHBondContact O-N 3.49Å; H303-Y306 VanDerWaalsContact O-CB 3.28Å; H303-Y306 WeakPolarHBondContact O-CB 3.14Å; H303-Y306 PolarHBondContact O-N 2.62Å
304P97.9Very high98.3Very high112 Ų11241.7 Ų41.773%0.72722%0.217SC*.THydrogen-bonded Turntrans-58.6-28.3-173.6-25.433.8000114.4
305Q98.6Very high98.3Very high46 Ų4635.4 Ų35.422%0.21519%0.193CC..THydrogen-bonded Turntrans-109.826177.5-60.687.21300113.7V171 H303 D307 L308 M309V171-Q305 HydrophobicContact CB-CB 3.72Å; V171-Q305 HydrophobicContact CB-CG 4.27Å; V171-Q305 HydrophobicContact CG1-CB 4.42Å; V171-Q305 HydrophobicContact CG2-CB 4.31Å; H303-Q305 PolarHBondContact CE1-OE1 2.78Å; H303-Q305 PolarHBondContact ND1-N 3.09Å; H303-Q305 PolarHBondContact O-N 3.49Å; Q305-D307 VanDerWaalsContact C-N 3.35Å; Q305-D307 PolarHBondContact O-N 3.18Å; Q305-L308 HydrophobicContact CB-CB 4.27Å; Q305-L308 HydrophobicContact CB-CD2 4.4Å; Q305-L308 PolarHBondContact O-N 2.96Å; Q305-M309 PolarHBondContact O-N 3.43Å
306Y98.3Very high98.3Very high48 Ų4834.9 Ų34.919%0.18819%0.19CC..Hα-helixtrans-52.4-47.1-179.3174.4-118.3000113.5P298 G299 L300 P301 H303 M309 K310P298-Y306 WeakPolarHBondContact O-CD2 3.39Å; G299-Y306 WeakPolarHBondContact O-CE2 3.26Å; L300-Y306 VanDerWaalsContact O-CD2 3.24Å; L300-Y306 WeakPolarHBondContact O-CD2 3.48Å; P301-Y306 HydrophobicContact CB-CD1 4.29Å; P301-Y306 HydrophobicContact CB-CE1 4.2Å; P301-Y306 HydrophobicContact CG-CE1 4.13Å; H303-Y306 VanDerWaalsContact O-CB 3.28Å; H303-Y306 WeakPolarHBondContact O-CB 3.14Å; H303-Y306 PolarHBondContact O-N 2.62Å; Y306-M309 WeakPolarHBondContact O-CB 3.09Å; Y306-M309 PolarHBondContact O-N 3.11Å; Y306-K310 HydrophobicContact CE1-CD 4.06Å; Y306-K310 VanDerWaalsContact CE1-CE 3.44Å; Y306-K310 HydrophobicContact CE2-CD 4.11Å; Y306-K310 HydrophobicContact CE2-CG 4.37Å; Y306-K310 PolarHBondContact O-N 3.26Å; Y306-K310 VanDerWaalsContact O-N 3.14Å
307D98.4Very high98.3Very high110 Ų11034 Ų3459%0.58819%0.185SC*.Hα-helixtrans-69.6-35.5-179.5-71.5-35.3000112.7Q305 M309 K310 K311Q305-D307 VanDerWaalsContact C-N 3.35Å; Q305-D307 PolarHBondContact O-N 3.18Å; D307-M309 VanDerWaalsContact C-N 3.35Å; D307-K310 PolarHBondContact O-N 3.34Å; D307-K310 WeakPolarHBondContact OD1-CE 3.43Å; D307-K310 IonicContact OD1-NZ 3.55Å; D307-K310 PolarHBondContact OD1-NZ 3.46Å; D307-K311 WeakPolarHBondContact O-CB 3.09Å; D307-K311 PolarHBondContact O-N 3.05Å
308L98.6Very high98.3Very high32 Ų3234 Ų3417%0.16819%0.185CC..Hα-helixtrans-63.8-43.3173.1173.461.9000110.8V171 D173 Q305 K310 K311 Q312V171-L308 HydrophobicContact CG1-CD2 3.98Å; V171-L308 HydrophobicContact CG1-CG 4.15Å; D173-L308 HydrophobicContact CB-CD1 3.75Å; D173-L308 HydrophobicContact CB-CD2 3.81Å; D173-L308 HydrophobicContact CB-CG 4.43Å; Q305-L308 HydrophobicContact CB-CB 4.27Å; Q305-L308 HydrophobicContact CB-CD2 4.4Å; Q305-L308 PolarHBondContact O-N 2.96Å; L308-K310 VanDerWaalsContact C-N 3.35Å; L308-K310 PolarHBondContact O-N 3.43Å; L308-K311 WeakPolarHBondContact O-CB 3.43Å; L308-K311 PolarHBondContact O-N 3.25Å; L308-K311 VanDerWaalsContact O-N 3.1Å; L308-Q312 WeakPolarHBondContact O-CG 3.42Å; L308-Q312 PolarHBondContact O-N 2.98Å
309M98.1Very high98.3Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-54.8-51177.1-172.366.3178.500111F16 P164 V171 M197 P298 Q305 Y306 D307 K311 Q312 C313 C316F16-M309 HydrophobicContact CE1-CG 4.11Å; P164-M309 HydrophobicContact CG-CE 4.31Å; P164-M309 HydrophobicContact CG-SD 4.5Å; V171-M309 HydrophobicContact CG1-SD 4.29Å; V171-M309 HydrophobicContact CG2-SD 4.08Å; M197-M309 HydrophobicContact CE-CE 3.23Å; M197-M309 HydrophobicContact SD-CE 3.6Å; P298-M309 HydrophobicContact CB-CB 4.26Å; P298-M309 HydrophobicContact CB-CE 3.94Å; P298-M309 HydrophobicContact CB-CG 3.65Å; P298-M309 HydrophobicContact CB-SD 3.79Å; Q305-M309 PolarHBondContact O-N 3.43Å; Y306-M309 WeakPolarHBondContact O-CB 3.09Å; Y306-M309 PolarHBondContact O-N 3.11Å; D307-M309 VanDerWaalsContact C-N 3.35Å; M309-K311 VanDerWaalsContact C-N 3.33Å; M309-K311 PolarHBondContact O-N 2.8Å; M309-Q312 PolarHBondContact O-N 2.77Å; M309-C313 HydrophobicContact CE-CB 4.16Å; M309-C313 WeakPolarHBondContact O-CB 3.33Å; M309-C313 PolarHBondContact O-N 2.89Å; M309-C313 HydrophobicContact SD-CB 4.33Å; M309-C313 VanDerWaalsContact SD-SG 3.61Å; M309-C316 HydrophobicContact CE-CB 4.39Å
310K98.2Very high98.4Very high36 Ų3634 Ų3416%0.15718%0.184CC..Hα-helixtrans-59.7-40.4174.9-77-175.9-60.6-178.50113.2G15 F16 R17 Y306 D307 L308 Q312G15-K310 WeakPolarHBondContact O-CB 3.34Å; F16-K310 HydrophobicContact CD1-CB 4.46Å; F16-K310 HydrophobicContact CD1-CG 4.15Å; F16-K310 HydrophobicContact CD2-CG 3.97Å; F16-K310 HydrophobicContact CE1-CG 4.05Å; F16-K310 HydrophobicContact CE2-CG 3.86Å; F16-K310 HydrophobicContact CG-CG 4.1Å; F16-K310 HydrophobicContact CZ-CG 3.9Å; R17-K310 PolarHBondContact N-O 3.35Å; Y306-K310 HydrophobicContact CE1-CD 4.06Å; Y306-K310 VanDerWaalsContact CE1-CE 3.44Å; Y306-K310 HydrophobicContact CE2-CD 4.11Å; Y306-K310 HydrophobicContact CE2-CG 4.37Å; Y306-K310 PolarHBondContact O-N 3.26Å; Y306-K310 VanDerWaalsContact O-N 3.14Å; D307-K310 PolarHBondContact O-N 3.34Å; D307-K310 WeakPolarHBondContact OD1-CE 3.43Å; D307-K310 IonicContact OD1-NZ 3.55Å; D307-K310 PolarHBondContact OD1-NZ 3.46Å; L308-K310 VanDerWaalsContact C-N 3.35Å; L308-K310 PolarHBondContact O-N 3.43Å; K310-Q312 PolarHBondContact O-N 3Å
311K98.3Very high98.4Very high144 Ų14433.9 Ų33.963%0.62618%0.184SC*.Hα-helixtrans-65.2-35-178.5-177.4-174.1173.2-164.30112.8R17 D307 L308 M309R17-K311 WeakPolarHBondContact CD-O 3.44Å; R17-K311 VanDerWaalsContact CG-O 3.29Å; R17-K311 WeakPolarHBondContact CG-O 3.47Å; D307-K311 WeakPolarHBondContact O-CB 3.09Å; D307-K311 PolarHBondContact O-N 3.05Å; L308-K311 WeakPolarHBondContact O-CB 3.43Å; L308-K311 PolarHBondContact O-N 3.25Å; L308-K311 VanDerWaalsContact O-N 3.1Å; M309-K311 VanDerWaalsContact C-N 3.33Å; M309-K311 PolarHBondContact O-N 2.8Å
312Q98.6Very high98.5Very high5 Ų529.2 Ų29.22%0.02315%0.154CC..Hα-helixtrans-108.1-17.1-173.676179.4-7.300115.2V171 V172 L207 L308 M309 K310V171-Q312 VanDerWaalsContact CG1-NE2 3.27Å; V172-Q312 PolarHBondContact O-NE2 3.35Å; V172-Q312 PolarHBondContact O-OE1 2.89Å; L207-Q312 HydrophobicContact CD1-CB 3.99Å; L207-Q312 HydrophobicContact CD2-CB 4.41Å; L308-Q312 WeakPolarHBondContact O-CG 3.42Å; L308-Q312 PolarHBondContact O-N 2.98Å; M309-Q312 PolarHBondContact O-N 2.77Å; K310-Q312 PolarHBondContact O-N 3Å
313C98.8Very high98.5Very high0 Ų026.8 Ų26.80%014%0.135CC..  trans-114.9161.7-177-56.20000112.6F16 R17 M197 F201 Q202 M309F16-C313 HydrophobicContact CD1-CB 4.45Å; R17-C313 WeakPolarHBondContact CB-O 3.44Å; R17-C313 WeakPolarHBondContact CG-O 3.45Å; R17-C313 PolarHBondContact N-O 2.72Å; M197-C313 HydrophobicContact CE-CB 4.16Å; F201-C313 CarbonylContact O-C 3.6Å; F201-C313 WeakPolarHBondContact O-CA 3.41Å; F201-C313 WeakPolarHBondContact O-CB 3.26Å; Q202-C313 PolarHBondContact NE2-SG 2.81Å; M309-C313 HydrophobicContact CE-CB 4.16Å; M309-C313 WeakPolarHBondContact O-CB 3.33Å; M309-C313 PolarHBondContact O-N 2.89Å; M309-C313 HydrophobicContact SD-CB 4.33Å; M309-C313 VanDerWaalsContact SD-SG 3.61Å
314T98.6Very high98.5Very high5 Ų526.4 Ų26.43%0.03113%0.133CC..SBendtrans-98.8-3.5174.464.30000113F13 R17 T18 F20 Y200 F201F13-T314 WeakPolarHBondContact CD1-O 3.23Å; R17-T314 HydrophobicContact CB-CG2 3.98Å; R17-T314 WeakPolarHBondContact O-CA 3.42Å; R17-T314 WeakPolarHBondContact O-CB 3.28Å; T18-T314 VanDerWaalsContact O-CG2 3.28Å; T18-T314 WeakPolarHBondContact O-CG2 3.47Å; F20-T314 HydrophobicContact CD1-CG2 4.49Å; F20-T314 HydrophobicContact CE1-CG2 4.07Å; F20-T314 HydrophobicContact CE2-CG2 4.13Å; F20-T314 HydrophobicContact CZ-CG2 3.86Å; Y200-T314 PolarHBondContact O-OG1 3.02Å; F201-T314 VanDerWaalsContact CA-OG1 3.31Å; F201-T314 WeakPolarHBondContact CA-OG1 3.41Å; F201-T314 PolarHBondContact O-N 2.99Å
315G98.4Very high98.5Very high0 Ų024.9 Ų24.90%012%0.115CC..SBendtrans177.9-167.7177.300000111.6M197M197-G315 WeakPolarHBondContact CE-O 3.35Å
316C98.6Very high98.4Very high0 Ų025.2 Ų25.20%013%0.13CC..  trans-121.8152.2177-620000112F16 F201 F276 F297 G299 M309F16-C316 WeakPolarHBondContact CZ-SG 3.33Å; F201-C316 WeakPolarHBondContact CE2-O 3.25Å; F276-C316 WeakPolarHBondContact CB-O 3.37Å; F276-C316 HydrophobicContact CD2-CB 3.66Å; F276-C316 HydrophobicContact CE2-CB 3.53Å; F276-C316 HydrophobicContact CG-CB 4.43Å; F276-C316 WeakPolarHBondContact CG-O 3.41Å; F276-C316 HydrophobicContact CZ-CB 4.17Å; F297-C316 HydrophobicContact CE1-CB 4.49Å; F297-C316 HydrophobicContact CE2-CB 3.95Å; F297-C316 HydrophobicContact CZ-CB 3.66Å; G299-C316 WeakPolarHBondContact CA-SG 3.44Å; G299-C316 PolarHBondContact N-SG 3.26Å; G299-C316 VanDerWaalsContact N-SG 3.44Å; M309-C316 HydrophobicContact CE-CB 4.39Å
317P98.2Very high98.3Very high0 Ų030.1 Ų30.10%015%0.153CC..  trans-81.1178-179.537.3-35.4000111.8M169 F196 M197 Y219 M272 F297 M319M169-P317 HydrophobicContact CE-CG 4.4Å; F196-P317 WeakPolarHBondContact O-CB 3.33Å; M197-P317 HydrophobicContact SD-CB 4.44Å; M197-P317 VanDerWaalsContact SD-CD 3.59Å; M197-P317 HydrophobicContact SD-CG 3.8Å; Y219-P317 HydrophobicContact CE2-CB 4.09Å; M272-P317 HydrophobicContact CE-CB 4.27Å; F297-P317 WeakPolarHBondContact CE2-O 3.27Å; P317-M319 HydrophobicContact CB-CG 4.39Å; P317-M319 HydrophobicContact CG-CB 4.26Å; P317-M319 HydrophobicContact CG-CG 4.29Å; P317-M319 PolarHBondContact O-N 2.9Å; P317-M319 VanDerWaalsContact O-N 3.1Å
318G98.7Very high98.2Very high0 Ų027.7 Ų27.70%014%0.139CC..SBendtrans-73.610.8175.900000114.8Y219 V384Y219-G318 WeakPolarHBondContact OH-CA 3.38Å; Y219-G318 PolarHBondContact OH-N 2.95Å; G318-V384 WeakPolarHBondContact O-CB 3.33Å; G318-V384 PolarHBondContact O-N 2.91Å
319M98.8Very high98.1Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-93.2126.6-172.4-57.4-50.6-56.600111.1M169 F196 Y219 F297 P317 L347 R381 L382M169-M319 HydrophobicContact CE-CB 3.8Å; M169-M319 WeakPolarHBondContact CE-O 3.33Å; M169-M319 HydrophobicContact SD-CB 3.87Å; F196-M319 HydrophobicContact CD1-CG 4.42Å; F196-M319 HydrophobicContact CD2-CB 4.12Å; F196-M319 HydrophobicContact CD2-CG 3.86Å; F196-M319 HydrophobicContact CE2-CB 4.1Å; F196-M319 HydrophobicContact CE2-CE 4.47Å; F196-M319 HydrophobicContact CE2-CG 3.96Å; F196-M319 HydrophobicContact CG-CG 4.08Å; F196-M319 HydrophobicContact CZ-CE 4.12Å; F196-M319 HydrophobicContact CZ-CG 4.27Å; Y219-M319 HydrophobicContact CE2-CG 4.19Å; Y219-M319 HydrophobicContact CE2-SD 4.23Å; Y219-M319 PolarHBondContact OH-SD 3.15Å; Y219-M319 VanDerWaalsContact OH-SD 3.35Å; F297-M319 VanDerWaalsContact CD2-O 3.23Å; F297-M319 WeakPolarHBondContact CD2-O 3.29Å; P317-M319 HydrophobicContact CB-CG 4.39Å; P317-M319 HydrophobicContact CG-CB 4.26Å; P317-M319 HydrophobicContact CG-CG 4.29Å; P317-M319 PolarHBondContact O-N 2.9Å; P317-M319 VanDerWaalsContact O-N 3.1Å; M319-L347 HydrophobicContact CE-CB 3.7Å; M319-L347 HydrophobicContact CE-CD1 4.39Å; M319-L347 HydrophobicContact CE-CD2 3.86Å; M319-L347 HydrophobicContact CE-CG 4.17Å; M319-L347 HydrophobicContact SD-CB 3.7Å; M319-L347 HydrophobicContact SD-CD1 3.83Å; M319-L347 HydrophobicContact SD-CD2 4.39Å; M319-L347 HydrophobicContact SD-CG 4.15Å; M319-R381 HydrophobicContact CE-CG 4.03Å; M319-L382 WeakPolarHBondContact CA-O 3.21Å; M319-L382 WeakPolarHBondContact CE-O 3.24Å
320I98.8Very high98.1Very high0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-128.3139.1174.8-55.1172.1000108.2A279 A282 A283 L286 V295 F297 R381 L382 V384A279-I320 HydrophobicContact CB-CD1 4.11Å; A279-I320 HydrophobicContact CB-CG1 4.15Å; A279-I320 WeakPolarHBondContact O-CD1 3.49Å; A282-I320 HydrophobicContact CB-CD1 3.73Å; A283-I320 HydrophobicContact CB-CD1 3.97Å; A283-I320 HydrophobicContact CB-CG1 4.39Å; L286-I320 HydrophobicContact CD1-CG2 4.26Å; V295-I320 HydrophobicContact CG1-CG2 3.94Å; F297-I320 HydrophobicContact CD2-CG1 4.09Å; I320-R381 CarbonylContact O-C 3.59Å; I320-R381 WeakPolarHBondContact O-CA 3.44Å; I320-L382 HydrophobicContact CB-CB 4.32Å; I320-L382 PolarHBondContact N-O 3.16Å; I320-L382 PolarHBondContact O-N 3.12Å; I320-V384 HydrophobicContact CD1-CG2 3.65Å; I320-V384 HydrophobicContact CG1-CG2 4.22Å
321T98.7Very high98.1Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-119137.7168.5-66.90000108.4P167 I296 L379 I380P167-T321 WeakPolarHBondContact O-CB 3.27Å; P167-T321 PolarHBondContact O-OG1 3.13Å; I296-T321 CarbonylContact C-O 3.56Å; I296-T321 WeakPolarHBondContact CA-O 3.48Å; I296-T321 HydrophobicContact CD1-CG2 4.28Å; I296-T321 PolarHBondContact N-O 3.44Å; I296-T321 PolarHBondContact O-N 3.4Å; I296-T321 VanDerWaalsContact O-N 3.09Å; T321-L379 HydrophobicContact CG2-CD1 3.35Å; T321-L379 HydrophobicContact CG2-CD2 4.49Å; T321-L379 HydrophobicContact CG2-CG 4.06Å; T321-I380 WeakPolarHBondContact CA-O 3.45Å
322F98.8Very high98.1Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-147163.8175.477.3-81.8000111.9L286 V292 R294 V295 I324 F334 I380 L382L286-F322 HydrophobicContact CD1-CD1 4.03Å; L286-F322 HydrophobicContact CD1-CE1 4.32Å; L286-F322 HydrophobicContact CD1-CG 4.35Å; L286-F322 HydrophobicContact CD2-CE2 4.45Å; L286-F322 HydrophobicContact CD2-CZ 4.45Å; V292-F322 HydrophobicContact CG1-CB 4.39Å; V292-F322 HydrophobicContact CG1-CD2 4Å; V292-F322 HydrophobicContact CG2-CD2 4.12Å; V292-F322 HydrophobicContact CG2-CE2 4.27Å; R294-F322 CarbonylContact O-C 3.22Å; R294-F322 VanDerWaalsContact O-CA 3.22Å; R294-F322 WeakPolarHBondContact O-CA 3.27Å; R294-F322 WeakPolarHBondContact O-CB 3.49Å; V295-F322 HydrophobicContact CG2-CB 4.12Å; F322-I324 HydrophobicContact CE2-CB 4.09Å; F322-F334 HydrophobicContact CE1-CE1 4.36Å; F322-F334 HydrophobicContact CE1-CZ 4.48Å; F322-F334 HydrophobicContact CZ-CD1 4.39Å; F322-F334 AromaticContact CZ-CE1 3.78Å; F322-F334 HydrophobicContact CZ-CE1 3.78Å; F322-F334 AromaticContact CZ-CZ 3.88Å; F322-F334 HydrophobicContact CZ-CZ 3.88Å; F322-I380 HydrophobicContact CD1-CB 4.04Å; F322-I380 HydrophobicContact CD1-CG2 4.15Å; F322-I380 HydrophobicContact CE1-CB 3.58Å; F322-I380 HydrophobicContact CE1-CD1 4.22Å; F322-I380 HydrophobicContact CE1-CG2 3.39Å; F322-I380 HydrophobicContact CE2-CB 4.45Å; F322-I380 HydrophobicContact CE2-CD1 3.9Å; F322-I380 HydrophobicContact CZ-CB 3.82Å; F322-I380 HydrophobicContact CZ-CD1 3.54Å; F322-I380 HydrophobicContact CZ-CG1 4.29Å; F322-I380 HydrophobicContact CZ-CG2 3.85Å; F322-I380 PolarHBondContact N-O 3.32Å; F322-I380 PolarHBondContact O-N 3.06Å; F322-L382 HydrophobicContact CD1-CD1 4.29Å; F322-L382 HydrophobicContact CD1-CG 4.34Å; F322-L382 HydrophobicContact CE1-CD1 3.92Å; F322-L382 HydrophobicContact CE1-CD2 4.22Å; F322-L382 HydrophobicContact CE1-CG 3.97Å
323Y98.6Very high98.1Very high16 Ų1631 Ų316%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-110.6119.3173.6-65.6-100.1000108.4M168 E293 R294 I296 G374 S376 T378 L379M168-Y323 WeakPolarHBondContact CE-OH 3.44Å; E293-Y323 WeakPolarHBondContact CB-O 3.48Å; E293-Y323 PolarHBondContact N-O 2.7Å; R294-Y323 HydrophobicContact CB-CD2 4.2Å; R294-Y323 VanDerWaalsContact NH2-CZ 3.31Å; R294-Y323 PolarHBondContact NH2-OH 3.21Å; R294-Y323 PolarHBondContact O-N 2.86Å; I296-Y323 HydrophobicContact CD1-CE2 3.84Å; I296-Y323 HydrophobicContact CG1-CE2 4.49Å; Y323-G374 WeakPolarHBondContact CE1-O 3.15Å; Y323-G374 PolarHBondContact OH-O 3.47Å; Y323-S376 WeakPolarHBondContact CD1-OG 3.39Å; Y323-S376 VanDerWaalsContact CE1-OG 3.23Å; Y323-S376 WeakPolarHBondContact CE1-OG 3.42Å; Y323-T378 WeakPolarHBondContact CA-O 3.35Å; Y323-L379 HydrophobicContact CD1-CB 4.5Å; Y323-L379 HydrophobicContact CD1-CD1 4.22Å; Y323-L379 HydrophobicContact CD2-CD1 4.16Å; Y323-L379 HydrophobicContact CE1-CB 4.22Å; Y323-L379 HydrophobicContact CE1-CD1 3.67Å; Y323-L379 HydrophobicContact CE2-CD1 3.57Å; Y323-L379 HydrophobicContact CG-CD1 4.46Å
324I98.6Very high98.1Very high1 Ų131 Ų311%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-74.7146.6168.9-166.5168.9000109.5F322 H330 A331 F334 T378 I380 L400 A403F322-I324 HydrophobicContact CE2-CB 4.09Å; I324-H330 HydrophobicContact CD1-CB 4.34Å; I324-A331 HydrophobicContact CG2-CB 3.8Å; I324-F334 HydrophobicContact CD1-CB 3.73Å; I324-F334 HydrophobicContact CD1-CG 4.16Å; I324-T378 HydrophobicContact CG2-CG2 4.33Å; I324-T378 PolarHBondContact N-O 3.01Å; I324-T378 VanDerWaalsContact N-O 3.11Å; I324-T378 VanDerWaalsContact O-CB 3.26Å; I324-T378 WeakPolarHBondContact O-CB 3.27Å; I324-I380 HydrophobicContact CB-CD1 4.11Å; I324-I380 HydrophobicContact CG2-CD1 4.01Å; I324-L400 HydrophobicContact CD1-CD2 3.85Å; I324-L400 HydrophobicContact CG1-CD2 4.19Å; I324-A403 HydrophobicContact CD1-CB 4.03Å
325K98.4Very high98.1Very high80 Ų8031.4 Ų31.435%0.34817%0.165SC..SBendtrans-67.6160.4172-73.8-177.1-179.4167.60110.9P290 R291 V292 E293 H404P290-K325 WeakPolarHBondContact O-CD 3.12Å; P290-K325 WeakPolarHBondContact O-CE 3.49Å; P290-K325 PolarHBondContact O-NZ 3.43Å; R291-K325 WeakPolarHBondContact O-CB 3.37Å; R291-K325 WeakPolarHBondContact O-CG 3.42Å; R291-K325 PolarHBondContact O-N 2.66Å; V292-K325 WeakPolarHBondContact O-CE 3.22Å; E293-K325 HydrophobicContact CB-CG 3.88Å; E293-K325 WeakPolarHBondContact OE2-CE 3.36Å; K325-H404 PolarHBondContact O-CE1 3.18Å; K325-H404 PolarHBondContact O-NE2 3.36Å; K325-H404 VanDerWaalsContact O-NE2 3.1Å
326G96.6Very high98.1Very high52 Ų5235.7 Ų35.754%0.53620%0.195SC..SBendtrans92.4-124.8177.300000112.9
327K96.3Very high98.1Very high152 Ų15238.4 Ų38.466%0.66121%0.21SC*.  trans-142.5177-167.5-60.8-177.4-178.9178.60110.7E329 H330 A331K327-E329 PolarHBondContact O-N 2.91Å; K327-H330 PolarHBondContact N-ND1 2.88Å; K327-H330 VanDerWaalsContact N-ND1 3.15Å; K327-H330 WeakPolarHBondContact O-CA 3.22Å; K327-H330 WeakPolarHBondContact O-CB 3.23Å; K327-H330 PolarHBondContact O-N 3.36Å; K327-A331 PolarHBondContact O-N 2.74Å
328L95.5Very high98.1Very high58 Ų5839.3 Ų39.330%0.30422%0.215SC..Hα-helixtrans-45.9-39.9174.5-174.656.8000113.9H330 A331 T332 H356 D377L328-H330 VanDerWaalsContact C-N 3.29Å; L328-H330 PolarHBondContact O-N 3.42Å; L328-A331 PolarHBondContact O-N 3.02Å; L328-T332 WeakPolarHBondContact O-CB 3.37Å; L328-T332 PolarHBondContact O-N 3.44Å; L328-T332 PolarHBondContact O-OG1 3.22Å; L328-H356 WeakPolarHBondContact CD1-NE2 3.41Å; L328-D377 WeakPolarHBondContact CA-O 3.4Å; L328-D377 HydrophobicContact CB-CB 4.03Å; L328-D377 HydrophobicContact CD1-CB 4.29Å
329E97.4Very high98.1Very high139 Ų13947.4 Ų47.465%0.6525%0.25SC*.Hα-helixtrans-57.2-42176.8-175.4179.2-176.800111.8K327 T332 T333K327-E329 PolarHBondContact O-N 2.91Å; E329-T332 PolarHBondContact O-N 3.5Å; E329-T333 WeakPolarHBondContact O-CB 3.29Å; E329-T333 PolarHBondContact O-N 2.54Å; E329-T333 PolarHBondContact O-OG1 3.1Å
330H98.4Very high98.1Very high49 Ų4950 Ų5023%0.22726%0.262CS..Hα-helixtrans-68.9-42.5179.7-57.570.4000110.8I324 K327 L328 T332 T333 F334 A403 H404I324-H330 HydrophobicContact CD1-CB 4.34Å; K327-H330 PolarHBondContact N-ND1 2.88Å; K327-H330 VanDerWaalsContact N-ND1 3.15Å; K327-H330 WeakPolarHBondContact O-CA 3.22Å; K327-H330 WeakPolarHBondContact O-CB 3.23Å; K327-H330 PolarHBondContact O-N 3.36Å; L328-H330 VanDerWaalsContact C-N 3.29Å; L328-H330 PolarHBondContact O-N 3.42Å; H330-T332 VanDerWaalsContact C-N 3.31Å; H330-T332 PolarHBondContact O-N 3.2Å; H330-T333 PolarHBondContact O-N 3.07Å; H330-F334 VanDerWaalsContact O-CB 3.31Å; H330-F334 WeakPolarHBondContact O-CB 3.4Å; H330-F334 PolarHBondContact O-N 3.22Å; H330-A403 PolarHBondContact CD2-O 3.23Å; H330-A403 VanDerWaalsContact CD2-O 3.27Å; H330-A403 WeakPolarHBondContact O-CB 3.35Å; H330-H404 AromaticContact CD2-CE1 3.2Å; H330-H404 PolarHBondContact CD2-CE1 3.14Å; H330-H404 AromaticContact CD2-ND1 3.56Å; H330-H404 AromaticContact CD2-NE2 3.74Å; H330-H404 AromaticContact CG-CE1 3.95Å; H330-H404 AromaticContact NE2-CE1 3.93Å
331A98.1Very high98Very high0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-60.7-42.317400000111.5I324 K327 L328 L335 I380I324-A331 HydrophobicContact CG2-CB 3.8Å; K327-A331 PolarHBondContact O-N 2.74Å; L328-A331 PolarHBondContact O-N 3.02Å; A331-L335 WeakPolarHBondContact O-CB 3.46Å; A331-L335 VanDerWaalsContact O-CG 3.26Å; A331-L335 WeakPolarHBondContact O-CG 3.31Å; A331-L335 PolarHBondContact O-N 2.87Å; A331-I380 HydrophobicContact CB-CD1 4.2Å; A331-I380 HydrophobicContact CB-CG1 4.41Å
332T97.6Very high98Very high59 Ų5952.4 Ų52.436%0.36228%0.282SS..Hα-helixtrans-66.9-45.2178.7-56.60000111.1L328 E329 H330 L335 S336L328-T332 WeakPolarHBondContact O-CB 3.37Å; L328-T332 PolarHBondContact O-N 3.44Å; L328-T332 PolarHBondContact O-OG1 3.22Å; E329-T332 PolarHBondContact O-N 3.5Å; H330-T332 VanDerWaalsContact C-N 3.31Å; H330-T332 PolarHBondContact O-N 3.2Å; T332-L335 PolarHBondContact O-N 2.65Å; T332-S336 VanDerWaalsContact O-CB 3.25Å; T332-S336 WeakPolarHBondContact O-CB 3.49Å; T332-S336 PolarHBondContact O-N 2.86Å; T332-S336 PolarHBondContact O-OG 3.02Å
333T98.3Very high97.9Very high41 Ų4155.9 Ų55.925%0.25230%0.303SS..Hα-helixtrans-63-45.4176.8-630000111.1E329 H330 S336 N337 V402 A403E329-T333 WeakPolarHBondContact O-CB 3.29Å; E329-T333 PolarHBondContact O-N 2.54Å; E329-T333 PolarHBondContact O-OG1 3.1Å; H330-T333 PolarHBondContact O-N 3.07Å; T333-S336 PolarHBondContact O-N 3.46Å; T333-N337 WeakPolarHBondContact O-CB 3.44Å; T333-N337 PolarHBondContact O-N 3.18Å; T333-N337 PolarHBondContact O-ND2 3.09Å; T333-V402 HydrophobicContact CG2-CG1 3.81Å; T333-A403 HydrophobicContact CG2-CB 4.23Å
334F98.7Very high97.7Very high0 Ų056.8 Ų56.80%031%0.314CS..Hα-helixtrans-56.1-55.8174.9166.9-96000110.8F322 I324 H330 S336 N337 L338 I380 L396 A399 L400 A403F322-F334 HydrophobicContact CE1-CE1 4.36Å; F322-F334 HydrophobicContact CE1-CZ 4.48Å; F322-F334 HydrophobicContact CZ-CD1 4.39Å; F322-F334 AromaticContact CZ-CE1 3.78Å; F322-F334 HydrophobicContact CZ-CE1 3.78Å; F322-F334 AromaticContact CZ-CZ 3.88Å; F322-F334 HydrophobicContact CZ-CZ 3.88Å; I324-F334 HydrophobicContact CD1-CB 3.73Å; I324-F334 HydrophobicContact CD1-CG 4.16Å; H330-F334 VanDerWaalsContact O-CB 3.31Å; H330-F334 WeakPolarHBondContact O-CB 3.4Å; H330-F334 PolarHBondContact O-N 3.22Å; F334-S336 VanDerWaalsContact C-N 3.3Å; F334-S336 PolarHBondContact O-N 3.21Å; F334-N337 PolarHBondContact O-N 3.23Å; F334-N337 VanDerWaalsContact O-N 3.1Å; F334-L338 HydrophobicContact CD1-CD1 4.49Å; F334-L338 HydrophobicContact CE1-CD1 3.92Å; F334-L338 HydrophobicContact CE1-CD2 4.39Å; F334-L338 HydrophobicContact CE1-CG 4.41Å; F334-L338 HydrophobicContact CE2-CD2 4.14Å; F334-L338 HydrophobicContact CZ-CD1 4.22Å; F334-L338 HydrophobicContact CZ-CD2 3.87Å; F334-L338 HydrophobicContact CZ-CG 4.36Å; F334-L338 PolarHBondContact O-N 2.82Å; F334-I380 HydrophobicContact CD1-CD1 3.54Å; F334-I380 HydrophobicContact CE1-CD1 3.94Å; F334-I380 HydrophobicContact CE1-CG2 4.21Å; F334-I380 HydrophobicContact CG-CD1 4.36Å; F334-L396 HydrophobicContact CE2-CD2 4.27Å; F334-L396 HydrophobicContact CZ-CD2 3.74Å; F334-A399 HydrophobicContact CD2-CB 3.56Å; F334-A399 HydrophobicContact CE2-CB 3.68Å; F334-A399 HydrophobicContact CG-CB 4.41Å; F334-L400 HydrophobicContact CD2-CD2 3.85Å; F334-L400 HydrophobicContact CD2-CG 3.88Å; F334-L400 HydrophobicContact CE2-CD2 4.08Å; F334-L400 HydrophobicContact CE2-CG 3.83Å; F334-A403 HydrophobicContact CB-CB 3.94Å
335L98.5Very high97.4Very high12 Ų1262 Ų626%0.06334%0.338CS..Hα-helixtrans-60.4-39.9-177.7-71.2169.9000112.3A331 T332 N337 L338 V343 A354 H356 I380A331-L335 WeakPolarHBondContact O-CB 3.46Å; A331-L335 VanDerWaalsContact O-CG 3.26Å; A331-L335 WeakPolarHBondContact O-CG 3.31Å; A331-L335 PolarHBondContact O-N 2.87Å; T332-L335 PolarHBondContact O-N 2.65Å; L335-N337 PolarHBondContact O-N 2.99Å; L335-L338 HydrophobicContact CD2-CD1 4.02Å; L335-L338 PolarHBondContact O-N 3.28Å; L335-V343 HydrophobicContact CB-CG2 4.13Å; L335-V343 WeakPolarHBondContact O-CG2 3.34Å; L335-A354 HydrophobicContact CD2-CB 3.64Å; L335-H356 HydrophobicContact CD1-CB 3.69Å; L335-I380 HydrophobicContact CD2-CG2 4.09Å
336S98.1Very high97.2Very high90 Ų9060.1 Ų60.163%0.62934%0.335SS*.Hα-helixtrans-73.2-12.6-178.8-540000113.8T332 T333 F334T332-S336 VanDerWaalsContact O-CB 3.25Å; T332-S336 WeakPolarHBondContact O-CB 3.49Å; T332-S336 PolarHBondContact O-N 2.86Å; T332-S336 PolarHBondContact O-OG 3.02Å; T333-S336 PolarHBondContact O-N 3.46Å; F334-S336 VanDerWaalsContact C-N 3.3Å; F334-S336 PolarHBondContact O-N 3.21Å
337N98.6Very high97.2Very high57 Ų5757.7 Ų57.731%0.30531%0.309SS..Hα-helixtrans-107.9-1.7-179.6-77.7-87.5000113.3T333 F334 L335 K339 Q398 A399 V402T333-N337 WeakPolarHBondContact O-CB 3.44Å; T333-N337 PolarHBondContact O-N 3.18Å; T333-N337 PolarHBondContact O-ND2 3.09Å; F334-N337 PolarHBondContact O-N 3.23Å; F334-N337 VanDerWaalsContact O-N 3.1Å; L335-N337 PolarHBondContact O-N 2.99Å; N337-K339 PolarHBondContact O-N 2.95Å; N337-Q398 PolarHBondContact O-NE2 2.77Å; N337-A399 HydrophobicContact CB-CB 4.44Å; N337-V402 HydrophobicContact CB-CB 4.29Å; N337-V402 HydrophobicContact CB-CG1 4.41Å; N337-V402 HydrophobicContact CB-CG2 4.42Å
338L98.7Very high97.3Very high20 Ų2050.4 Ų50.411%0.10528%0.278CS..  trans-61.3134.4167.8-67.8165.1000109.4F334 L335 F341 A354 L396 A399F334-L338 HydrophobicContact CD1-CD1 4.49Å; F334-L338 HydrophobicContact CE1-CD1 3.92Å; F334-L338 HydrophobicContact CE1-CD2 4.39Å; F334-L338 HydrophobicContact CE1-CG 4.41Å; F334-L338 HydrophobicContact CE2-CD2 4.14Å; F334-L338 HydrophobicContact CZ-CD1 4.22Å; F334-L338 HydrophobicContact CZ-CD2 3.87Å; F334-L338 HydrophobicContact CZ-CG 4.36Å; F334-L338 PolarHBondContact O-N 2.82Å; L335-L338 HydrophobicContact CD2-CD1 4.02Å; L335-L338 PolarHBondContact O-N 3.28Å; L338-F341 HydrophobicContact CB-CB 4.04Å; L338-F341 HydrophobicContact CD1-CB 3.76Å; L338-F341 HydrophobicContact CD2-CB 4.12Å; L338-F341 HydrophobicContact CD2-CD2 4.31Å; L338-F341 HydrophobicContact CD2-CG 4.46Å; L338-F341 HydrophobicContact CG-CB 4.17Å; L338-A354 HydrophobicContact CD1-CB 3.56Å; L338-L396 HydrophobicContact CD2-CD2 4.32Å; L338-A399 HydrophobicContact CD2-CB 3.76Å; L338-A399 HydrophobicContact CG-CB 4.17Å
339K98.4Very high97.5Very high169 Ų16947.7 Ų47.774%0.73526%0.264SS*.SBendtrans-108.3-24.6-177.2-63.5175.4-171.6166.20112.2N337 D395N337-K339 PolarHBondContact O-N 2.95Å; K339-D395 PolarHBondContact N-OD1 3.46Å; K339-D395 PolarHBondContact N-OD2 3.08Å
340M98.2Very high97.5Very high54 Ų5447 Ų4727%0.26626%0.256SS..SBendtrans-110.8-49.1-179.6-174.6-163.867.500110.5A342 E387 D391 I392 D395M340-A342 PolarHBondContact O-N 2.92Å; M340-E387 HydrophobicContact SD-CB 3.94Å; M340-E387 HydrophobicContact SD-CG 3.91Å; M340-D391 HydrophobicContact SD-CB 4.04Å; M340-I392 HydrophobicContact CE-CB 4.18Å; M340-I392 HydrophobicContact CE-CG1 3.59Å; M340-D395 WeakPolarHBondContact CA-OD2 3.49Å; M340-D395 HydrophobicContact CB-CB 4.14Å; M340-D395 WeakPolarHBondContact CB-OD2 3.31Å; M340-D395 HydrophobicContact CE-CB 4.47Å; M340-D395 PolarHBondContact N-OD2 3.46Å
341F98.7Very high97.5Very high5 Ų546.7 Ų46.72%0.02226%0.255CS..SBendtrans-62.9122.1172.6-80.1-102000109.9L338 S352 A354 L382 V384 I392 D395 L396L338-F341 HydrophobicContact CB-CB 4.04Å; L338-F341 HydrophobicContact CD1-CB 3.76Å; L338-F341 HydrophobicContact CD2-CB 4.12Å; L338-F341 HydrophobicContact CD2-CD2 4.31Å; L338-F341 HydrophobicContact CD2-CG 4.46Å; L338-F341 HydrophobicContact CG-CB 4.17Å; F341-S352 WeakPolarHBondContact CA-O 3.3Å; F341-A354 HydrophobicContact CB-CB 4.19Å; F341-A354 HydrophobicContact CD1-CB 4.22Å; F341-L382 HydrophobicContact CD1-CD2 4.19Å; F341-L382 HydrophobicContact CE1-CB 4.19Å; F341-L382 HydrophobicContact CE1-CD1 4.44Å; F341-L382 HydrophobicContact CE1-CD2 4.19Å; F341-V384 HydrophobicContact CE1-CG2 4.38Å; F341-V384 HydrophobicContact CZ-CG2 4.32Å; F341-I392 HydrophobicContact CE2-CB 4.47Å; F341-I392 HydrophobicContact CE2-CG1 4.49Å; F341-I392 HydrophobicContact CE2-CG2 3.97Å; F341-I392 HydrophobicContact CZ-CG2 3.98Å; F341-D395 PolarHBondContact N-OD2 3.3Å; F341-L396 HydrophobicContact CD2-CD2 4.42Å; F341-L396 HydrophobicContact CE2-CD2 4.07Å; F341-L396 HydrophobicContact CE2-CG 4.09Å; F341-L396 HydrophobicContact CZ-CD2 4.39Å
342A98.2Very high97.6Very high47 Ų4746.7 Ų46.739%0.38826%0.255SS..EExtended strand (participates in β ladder)trans-80.9130.917400000110.3M340 A344 S352 L353 A354M340-A342 PolarHBondContact O-N 2.92Å; A342-A344 PolarHBondContact O-N 3.02Å; A342-A344 VanDerWaalsContact O-N 3.14Å; A342-S352 PolarHBondContact N-O 2.88Å; A342-L353 HydrophobicContact CB-CD2 3.81Å; A342-L353 WeakPolarHBondContact O-CA 3.27Å; A342-A354 PolarHBondContact O-N 3.39Å
343V97.1Very high97.6Very high73 Ų7344.5 Ų44.544%0.44224%0.241SC..EExtended strand (participates in β ladder)trans-77.399.4172.8-176.90000109.1L335 A354 M360L335-V343 HydrophobicContact CB-CG2 4.13Å; L335-V343 WeakPolarHBondContact O-CG2 3.34Å; V343-A354 VanDerWaalsContact CA-O 3.3Å; V343-A354 WeakPolarHBondContact CA-O 3.46Å; V343-M360 HydrophobicContact CG1-CE 4.18Å; V343-M360 HydrophobicContact CG1-SD 4.27Å
344A94.6Very high97.6Very high35 Ų3542.6 Ų42.629%0.28923%0.229SC..  trans-154157.9-175.600000111.8A342 L353 A354A342-A344 PolarHBondContact O-N 3.02Å; A342-A344 VanDerWaalsContact O-N 3.14Å; A344-L353 HydrophobicContact CB-CD2 4.26Å; A344-A354 PolarHBondContact N-O 2.87Å
345E90.8Very high97.6Very high111 Ų11142.6 Ų42.652%0.51923%0.229SC..SBendtrans-72.6173.3165.3-59.8-165.317100111.1M360 T361E345-M360 HydrophobicContact CG-CE 4.32Å; E345-T361 HydrophobicContact CB-CG2 4.1Å; E345-T361 HydrophobicContact CG-CG2 3.81Å
346S93.9Very high97.5Very high39 Ų3942.1 Ų42.127%0.27323%0.227SC..  trans78-176-173.7-154.20000113.7K218 R381K218-S346 WeakPolarHBondContact CD-OG 3.48Å; K218-S346 VanDerWaalsContact CE-OG 3.27Å; K218-S346 WeakPolarHBondContact CE-OG 3.46Å; S346-R381 PolarHBondContact O-NH2 3.49Å
347L98.3Very high97.2Very high1 Ų137.8 Ų37.81%0.00520%0.197CC..  trans-171.1168.7-174.157.399.4000111.4F196 K218 Y219 M319 G349 S383F196-L347 HydrophobicContact CD1-CD1 4.09Å; F196-L347 HydrophobicContact CD1-CD2 4.34Å; F196-L347 HydrophobicContact CE1-CD1 3.96Å; F196-L347 HydrophobicContact CE1-CD2 3.41Å; F196-L347 VanDerWaalsContact CE1-CD2 3.41Å; F196-L347 HydrophobicContact CE1-CG 4.35Å; F196-L347 HydrophobicContact CZ-CD2 3.91Å; K218-L347 WeakPolarHBondContact CA-O 3.44Å; K218-L347 HydrophobicContact CB-CD1 3.75Å; K218-L347 HydrophobicContact CB-CG 4.46Å; K218-L347 HydrophobicContact CD-CD1 4.18Å; K218-L347 HydrophobicContact CD-CG 3.97Å; K218-L347 VanDerWaalsContact CD-O 3.27Å; K218-L347 WeakPolarHBondContact CD-O 3.22Å; K218-L347 HydrophobicContact CG-CD1 3.81Å; K218-L347 HydrophobicContact CG-CG 4.13Å; Y219-L347 HydrophobicContact CD2-CD1 4.48Å; Y219-L347 HydrophobicContact CE2-CD1 4.15Å; M319-L347 HydrophobicContact CE-CB 3.7Å; M319-L347 HydrophobicContact CE-CD1 4.39Å; M319-L347 HydrophobicContact CE-CD2 3.86Å; M319-L347 HydrophobicContact CE-CG 4.17Å; M319-L347 HydrophobicContact SD-CB 3.7Å; M319-L347 HydrophobicContact SD-CD1 3.83Å; M319-L347 HydrophobicContact SD-CD2 4.39Å; M319-L347 HydrophobicContact SD-CG 4.15Å; L347-G349 VanDerWaalsContact C-N 3.28Å; L347-G349 PolarHBondContact O-N 2.88Å; L347-S383 WeakPolarHBondContact CA-OG 3.36Å
348G97.9Very high96.7Very high0 Ų035.2 Ų35.20%018%0.183CC..  trans73.613.7168.400000115.9Y219 G222 S383Y219-G348 WeakPolarHBondContact CA-O 3.35Å; Y219-G348 VanDerWaalsContact CD1-CA 3.45Å; Y219-G348 WeakPolarHBondContact CD1-O 3.33Å; G222-G348 WeakPolarHBondContact CA-O 3.41Å; G348-S383 PolarHBondContact N-OG 3.01Å
349G98.4Very high96.2Very high1 Ų138.9 Ų38.91%0.0120%0.202CC..SBendtrans-72.7-177.3164.200000112.1G222 H275 L347 E351G222-G349 CarbonylContact O-C 3.47Å; H275-G349 PolarHBondContact CE1-O 3.48Å; H275-G349 PolarHBondContact NE2-O 3.36Å; L347-G349 VanDerWaalsContact C-N 3.28Å; L347-G349 PolarHBondContact O-N 2.88Å; G349-E351 VanDerWaalsContact C-N 3.31Å
350Y98.6Very high95.7Very high123 Ų12333.1 Ų33.148%0.48218%0.178SC..SBendtrans-77-25.2175.353.1-97000112G222 H223 G385 L386G222-Y350 PolarHBondContact O-N 2.9Å; H223-Y350 HydrophobicContact CB-CD1 4.47Å; H223-Y350 HydrophobicContact CB-CE1 4.37Å; Y350-G385 CarbonylContact O-C 3.58Å; Y350-G385 WeakPolarHBondContact O-CA 3.2Å; Y350-L386 PolarHBondContact O-N 3.28Å
351E98.7Very high94.7Very high44 Ų4431.4 Ų31.421%0.20617%0.171CC..SBendtrans-85.9146.5179.370.5-73.8-179.400112.5S224 G349 L353 E387S224-E351 WeakPolarHBondContact CB-OE1 3.45Å; S224-E351 PolarHBondContact OG-OE1 2.71Å; S224-E351 PolarHBondContact OG-OE2 3.27Å; G349-E351 VanDerWaalsContact C-N 3.31Å; E351-L353 HydrophobicContact CG-CD2 3.88Å; E351-L353 HydrophobicContact CG-CG 4.4Å; E351-E387 WeakPolarHBondContact CA-OE1 3.36Å
352S98.9Very high93.9Very high0 Ų031.2 Ų31.20%017%0.17CC..  trans-76.1125.2175.4-78.60000111.2F341 A342 S383 G385 E387F341-S352 WeakPolarHBondContact CA-O 3.3Å; A342-S352 PolarHBondContact N-O 2.88Å; S352-S383 CarbonylContact C-O 3.54Å; S352-S383 VanDerWaalsContact CA-O 3.29Å; S352-S383 WeakPolarHBondContact CA-O 3.26Å; S352-G385 PolarHBondContact OG-N 2.87Å; S352-E387 WeakPolarHBondContact CB-OE1 2.97Å; S352-E387 PolarHBondContact N-OE1 2.87Å; S352-E387 VanDerWaalsContact OG-CD 3.31Å; S352-E387 PolarHBondContact OG-OE1 2.65Å; S352-E387 PolarHBondContact OG-OE2 3.16Å
353L98.8Very high93.1Very high12 Ų1231.7 Ų31.76%0.06317%0.174CC..EExtended strand (participates in β ladder)trans-120.3146.3178.1-53.2179.6000111.5A342 A344 E351 L382 S383A342-L353 HydrophobicContact CB-CD2 3.81Å; A342-L353 WeakPolarHBondContact O-CA 3.27Å; A344-L353 HydrophobicContact CB-CD2 4.26Å; E351-L353 HydrophobicContact CG-CD2 3.88Å; E351-L353 HydrophobicContact CG-CG 4.4Å; L353-L382 CarbonylContact O-C 3.56Å; L353-L382 WeakPolarHBondContact O-CA 3.49Å; L353-S383 PolarHBondContact N-O 3.39Å; L353-S383 PolarHBondContact O-N 3.29Å
354A98.6Very high92Very high1 Ų130.6 Ų30.61%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-127.2143.3172.100000110.2L335 L338 F341 A342 V343 A344 R381 L382L335-A354 HydrophobicContact CD2-CB 3.64Å; L338-A354 HydrophobicContact CD1-CB 3.56Å; F341-A354 HydrophobicContact CB-CB 4.19Å; F341-A354 HydrophobicContact CD1-CB 4.22Å; A342-A354 PolarHBondContact O-N 3.39Å; V343-A354 VanDerWaalsContact CA-O 3.3Å; V343-A354 WeakPolarHBondContact CA-O 3.46Å; A344-A354 PolarHBondContact N-O 2.87Å; A354-R381 WeakPolarHBondContact CA-O 3.3Å; A354-L382 HydrophobicContact CB-CD2 3.57Å
355E96.8Very high91.2Very high1 Ų129.2 Ų29.21%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-142.8161.417470.9170.4-145.100112.5P357 M360 T361 R381E355-P357 HydrophobicContact CG-CG 4.4Å; E355-P357 WeakPolarHBondContact O-CD 3.39Å; E355-M360 HydrophobicContact CB-CE 4.13Å; E355-M360 HydrophobicContact CB-SD 3.88Å; E355-T361 VanDerWaalsContact CD-CG2 3.45Å; E355-T361 VanDerWaalsContact OE1-CG2 3.27Å; E355-T361 WeakPolarHBondContact OE1-CG2 3.4Å; E355-T361 PolarHBondContact OE1-OG1 2.87Å; E355-T361 WeakPolarHBondContact OE2-CG2 3.33Å; E355-R381 VanDerWaalsContact CD-NH1 3.35Å; E355-R381 HydrophobicContact CG-CB 3.93Å; E355-R381 PolarHBondContact N-O 3Å; E355-R381 PolarHBondContact O-N 3.48Å; E355-R381 IonicContact OE1-CZ 3.39Å; E355-R381 IonicContact OE1-NE 3.73Å; E355-R381 IonicContact OE1-NH1 3.52Å; E355-R381 PolarHBondContact OE1-NH1 2.99Å; E355-R381 IonicContact OE1-NH2 3.72Å; E355-R381 PolarHBondContact OE1-NH2 3.5Å; E355-R381 IonicContact OE2-CZ 2.87Å; E355-R381 IonicContact OE2-NH1 2.84Å; E355-R381 IonicContact OE2-NH2 3.59Å; E355-R381 PolarHBondContact OE2-NH2 3.16Å
356H96.5Very high90.8Very high1 Ų126.6 Ų26.61%0.00515%0.15CC..  trans-104.898.3168.7-168.1-55.9000110L328 L335 A358 I359 M360 D377L328-H356 WeakPolarHBondContact CD1-NE2 3.41Å; L335-H356 HydrophobicContact CD1-CB 3.69Å; H356-A358 VanDerWaalsContact C-N 3.32Å; H356-A358 PolarHBondContact ND1-N 3.44Å; H356-A358 PolarHBondContact O-N 2.93Å; H356-A358 VanDerWaalsContact O-N 3.16Å; H356-I359 HydrophobicContact CB-CD1 4.25Å; H356-I359 HydrophobicContact CB-CG1 3.88Å; H356-I359 PolarHBondContact O-N 3.21Å; H356-M360 HydrophobicContact CB-SD 4.26Å; H356-M360 PolarHBondContact N-SD 3.22Å; H356-M360 VanDerWaalsContact N-SD 3.39Å; H356-M360 WeakPolarHBondContact O-CB 3.33Å; H356-M360 PolarHBondContact O-N 2.79Å; H356-D377 PolarHBondContact NE2-O 2.95Å
357P91.8Very high90.4Very high0 Ų031.9 Ų31.90%017%0.17CC..THydrogen-bonded Turntrans-57.2-40.1-170.7-28.337.2000114P167 E355 I359 M360 H362 I375 L379 R381P167-P357 HydrophobicContact CB-CB 4.36Å; P167-P357 HydrophobicContact CB-CG 4.07Å; P167-P357 HydrophobicContact CG-CB 4.05Å; P167-P357 HydrophobicContact CG-CG 4.23Å; E355-P357 HydrophobicContact CG-CG 4.4Å; E355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-I359 VanDerWaalsContact C-N 3.3Å; P357-I359 PolarHBondContact O-N 2.98Å; P357-M360 PolarHBondContact O-N 3.49Å; P357-H362 WeakPolarHBondContact O-CA 3.13Å; P357-H362 VanDerWaalsContact O-CB 3.3Å; P357-H362 WeakPolarHBondContact O-CB 3.33Å; P357-H362 PolarHBondContact O-N 2.94Å; P357-I375 HydrophobicContact CB-CG2 4.18Å; P357-L379 HydrophobicContact CB-CD2 4.02Å; P357-L379 VanDerWaalsContact CD-O 3.31Å; P357-L379 WeakPolarHBondContact CD-O 3.39Å; P357-L379 HydrophobicContact CG-CD2 3.77Å; P357-L379 HydrophobicContact CG-CG 4.33Å; P357-R381 HydrophobicContact CG-CB 4.01Å
358A89Confident89.9Confident3 Ų340.2 Ų40.23%0.02521%0.206CC..THydrogen-bonded Turntrans-61.5-32.6-175.100000114.7H356 R370 I375H356-A358 VanDerWaalsContact C-N 3.32Å; H356-A358 PolarHBondContact ND1-N 3.44Å; H356-A358 PolarHBondContact O-N 2.93Å; H356-A358 VanDerWaalsContact O-N 3.16Å; A358-R370 PolarHBondContact O-NH1 3.26Å; A358-I375 HydrophobicContact CB-CG2 4.05Å
359I87.9Confident89.2Confident96 Ų9643.6 Ų43.649%0.49222%0.222SC..THydrogen-bonded Turntrans-113-5.9-176.267.3178.3000113.4H356 P357H356-I359 HydrophobicContact CB-CD1 4.25Å; H356-I359 HydrophobicContact CB-CG1 3.88Å; H356-I359 PolarHBondContact O-N 3.21Å; P357-I359 VanDerWaalsContact C-N 3.3Å; P357-I359 PolarHBondContact O-N 2.98Å
360M87.7Confident88.7Confident48 Ų4845.5 Ų45.524%0.23623%0.229CC..THydrogen-bonded Turntrans-111.8-101.9175.1-58.1174.369.400109.6V343 E345 E355 H356 P357 H362 A363V343-M360 HydrophobicContact CG1-CE 4.18Å; V343-M360 HydrophobicContact CG1-SD 4.27Å; E345-M360 HydrophobicContact CG-CE 4.32Å; E355-M360 HydrophobicContact CB-CE 4.13Å; E355-M360 HydrophobicContact CB-SD 3.88Å; H356-M360 HydrophobicContact CB-SD 4.26Å; H356-M360 PolarHBondContact N-SD 3.22Å; H356-M360 VanDerWaalsContact N-SD 3.39Å; H356-M360 WeakPolarHBondContact O-CB 3.33Å; H356-M360 PolarHBondContact O-N 2.79Å; P357-M360 PolarHBondContact O-N 3.49Å; M360-H362 VanDerWaalsContact C-N 3.31Å; M360-H362 PolarHBondContact O-N 3.36Å; M360-H362 VanDerWaalsContact O-N 3.16Å; M360-A363 WeakPolarHBondContact O-CB 3.47Å; M360-A363 PolarHBondContact O-N 3.19Å
361T77.4Confident88.2Confident18 Ų1843.1 Ų43.111%0.1124%0.235CC..THydrogen-bonded Turntrans-62.8-28.9-169.353.10000115.8E345 E355E345-T361 HydrophobicContact CB-CG2 4.1Å; E345-T361 HydrophobicContact CG-CG2 3.81Å; E355-T361 VanDerWaalsContact CD-CG2 3.45Å; E355-T361 VanDerWaalsContact OE1-CG2 3.27Å; E355-T361 WeakPolarHBondContact OE1-CG2 3.4Å; E355-T361 PolarHBondContact OE1-OG1 2.87Å; E355-T361 WeakPolarHBondContact OE2-CG2 3.33Å
362H82.4Confident87.7Confident2 Ų246.7 Ų46.71%0.00926%0.26CS..THydrogen-bonded Turntrans-108.115.2179.9-64.768.9000112.4P357 M360 S364 V365 R370 I375P357-H362 WeakPolarHBondContact O-CA 3.13Å; P357-H362 VanDerWaalsContact O-CB 3.3Å; P357-H362 WeakPolarHBondContact O-CB 3.33Å; P357-H362 PolarHBondContact O-N 2.94Å; M360-H362 VanDerWaalsContact C-N 3.31Å; M360-H362 PolarHBondContact O-N 3.36Å; M360-H362 VanDerWaalsContact O-N 3.16Å; H362-S364 PolarHBondContact O-N 2.95Å; H362-S364 VanDerWaalsContact O-N 3.12Å; H362-V365 HydrophobicContact CB-CG2 4.29Å; H362-V365 PolarHBondContact O-N 3.42Å; H362-R370 PolarHBondContact O-NH1 3.34Å; H362-I375 HydrophobicContact CB-CD1 4.42Å
363A81.9Confident87.2Confident57 Ų5747.8 Ų47.847%0.47127%0.265SS..THydrogen-bonded Turntrans-56.4-29.5173.300000112.4M360 R370M360-A363 WeakPolarHBondContact O-CB 3.47Å; M360-A363 PolarHBondContact O-N 3.19Å; A363-R370 PolarHBondContact O-NH1 3.13Å
364S73.7Confident86.9Confident50 Ų5048.4 Ų48.435%0.3527%0.274SS..THydrogen-bonded Turntrans-78.3-12.9178.267.70000115.5R124 H362R124-S364 PolarHBondContact NH1-OG 2.85Å; H362-S364 PolarHBondContact O-N 2.95Å; H362-S364 VanDerWaalsContact O-N 3.12Å
365V76.7Confident86.6Confident5 Ų548.6 Ų48.63%0.0328%0.276CS..SBendtrans-84.3130.8175-179.80000108.8H362 E369 R370H362-V365 HydrophobicContact CB-CG2 4.29Å; H362-V365 PolarHBondContact O-N 3.42Å; V365-E369 HydrophobicContact CG1-CB 3.75Å; V365-R370 HydrophobicContact CB-CG 3.93Å; V365-R370 HydrophobicContact CG1-CG 3.83Å; V365-R370 PolarHBondContact O-NH1 3.37Å
366P82.6Confident86.5Confident57 Ų5750.5 Ų50.537%0.3729%0.289SS..  trans-55.1142.7178.9-26.335.5000112.7K368 E369 R370P366-K368 VanDerWaalsContact C-N 3.26Å; P366-K368 PolarHBondContact O-N 2.81Å; P366-E369 HydrophobicContact CB-CG 4.43Å; P366-E369 WeakPolarHBondContact O-CB 3.47Å; P366-E369 PolarHBondContact O-N 2.92Å; P366-R370 PolarHBondContact O-N 3.11Å
367E85.4Confident86.5Confident150 Ų15054.8 Ų54.870%0.70131%0.312SS*.Hα-helixtrans-54.8-40.4-176.9-173-175164.400113.1E369 R370 A371E367-E369 VanDerWaalsContact C-N 3.33Å; E367-E369 PolarHBondContact O-N 2.81Å; E367-R370 WeakPolarHBondContact O-CB 3.45Å; E367-R370 PolarHBondContact O-N 3.08Å; E367-A371 WeakPolarHBondContact O-CB 3.19Å; E367-A371 PolarHBondContact O-N 2.7Å
368K87.3Confident86.7Confident175 Ų17556 Ų5676%0.76132%0.319SS*.Hα-helixtrans-61.6-39.6176.4-174.3-178.5176.6-175.10112.4P366 V372P366-K368 VanDerWaalsContact C-N 3.26Å; P366-K368 PolarHBondContact O-N 2.81Å; K368-V372 WeakPolarHBondContact O-CG2 3.26Å; K368-V372 PolarHBondContact O-N 2.83Å
369E83.8Confident87.1Confident71 Ų7155.8 Ų55.833%0.33232%0.318SS..Hα-helixtrans-70.2-43176.5-71.2176.3-143.800110.5Q127 V365 P366 E367 A371 V372 L373Q127-E369 PolarHBondContact NE2-OE2 3.28Å; V365-E369 HydrophobicContact CG1-CB 3.75Å; P366-E369 HydrophobicContact CB-CG 4.43Å; P366-E369 WeakPolarHBondContact O-CB 3.47Å; P366-E369 PolarHBondContact O-N 2.92Å; E367-E369 VanDerWaalsContact C-N 3.33Å; E367-E369 PolarHBondContact O-N 2.81Å; E369-A371 VanDerWaalsContact C-N 3.3Å; E369-A371 PolarHBondContact O-N 2.65Å; E369-V372 PolarHBondContact O-N 3.48Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.24Å
370R87.5Confident87.7Confident41 Ų4151.2 Ų51.216%0.15529%0.294CS..Hα-helixtrans-55.8-44.5173-70.9-162-61.9-116.24.2112.3A358 H362 A363 V365 P366 E367 V372 L373 G374 I375A358-R370 PolarHBondContact O-NH1 3.26Å; H362-R370 PolarHBondContact O-NH1 3.34Å; A363-R370 PolarHBondContact O-NH1 3.13Å; V365-R370 HydrophobicContact CB-CG 3.93Å; V365-R370 HydrophobicContact CG1-CG 3.83Å; V365-R370 PolarHBondContact O-NH1 3.37Å; P366-R370 PolarHBondContact O-N 3.11Å; E367-R370 WeakPolarHBondContact O-CB 3.45Å; E367-R370 PolarHBondContact O-N 3.08Å; R370-V372 VanDerWaalsContact C-N 3.35Å; R370-V372 PolarHBondContact O-N 3.44Å; R370-L373 CarbonylContact O-C 3.5Å; R370-L373 PolarHBondContact O-N 3.27Å; R370-G374 PolarHBondContact O-N 3.16Å; R370-I375 HydrophobicContact CB-CB 3.96Å; R370-I375 HydrophobicContact CB-CG2 4.4Å; R370-I375 HydrophobicContact CG-CB 4.29Å; R370-I375 HydrophobicContact CG-CG2 4.34Å; R370-I375 PolarHBondContact O-N 3.21Å
371A88.5Confident88.2Confident73 Ų7349.2 Ų49.260%0.60328%0.284SS*.Hα-helixtrans-62.1-40.7178.500000112.3E367 E369 L373 G374E367-A371 WeakPolarHBondContact O-CB 3.19Å; E367-A371 PolarHBondContact O-N 2.7Å; E369-A371 VanDerWaalsContact C-N 3.3Å; E369-A371 PolarHBondContact O-N 2.65Å; A371-L373 VanDerWaalsContact C-N 3.33Å; A371-L373 PolarHBondContact O-N 3.29Å; A371-G374 PolarHBondContact O-N 3.49Å
372V89.6Confident89.2Confident120 Ų12048.4 Ų48.473%0.72728%0.279SS*.Hα-helixtrans-64.1-38.5175.2171.70000111.6K368 E369 R370 G374K368-V372 WeakPolarHBondContact O-CG2 3.26Å; K368-V372 PolarHBondContact O-N 2.83Å; E369-V372 PolarHBondContact O-N 3.48Å; R370-V372 VanDerWaalsContact C-N 3.35Å; R370-V372 PolarHBondContact O-N 3.44Å; V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 PolarHBondContact O-N 2.84Å
373L88.3Confident90Very high22 Ų2248.3 Ų48.312%0.11528%0.279CS..Hα-helixtrans-76.8-10.9177.9-64.4175.2000113.4D116 D117 M168 E369 R370 A371 I375D116-L373 HydrophobicContact CB-CD2 4.38Å; D117-L373 HydrophobicContact CB-CD2 4.11Å; M168-L373 VanDerWaalsContact CE-O 3.24Å; M168-L373 WeakPolarHBondContact CE-O 3.39Å; M168-L373 WeakPolarHBondContact CG-O 3.45Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.24Å; R370-L373 CarbonylContact O-C 3.5Å; R370-L373 PolarHBondContact O-N 3.27Å; A371-L373 VanDerWaalsContact C-N 3.33Å; A371-L373 PolarHBondContact O-N 3.29Å; L373-I375 HydrophobicContact CB-CD1 4.12Å; L373-I375 HydrophobicContact CB-CG1 4.06Å; L373-I375 HydrophobicContact CD1-CD1 4.14Å
374G91.4Very high90.8Very high25 Ų2545.6 Ų45.626%0.25826%0.256SS..THydrogen-bonded Turntrans80.915-175.500000114.1Y323 R370 A371 V372 S376Y323-G374 WeakPolarHBondContact CE1-O 3.15Å; Y323-G374 PolarHBondContact OH-O 3.47Å; R370-G374 PolarHBondContact O-N 3.16Å; A371-G374 PolarHBondContact O-N 3.49Å; V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 PolarHBondContact O-N 2.84Å; G374-S376 VanDerWaalsContact C-N 3.32Å; G374-S376 PolarHBondContact O-N 3.04Å
375I93Very high92Very high6 Ų643.2 Ų43.23%0.03124%0.24CC..  trans-7883.8175.1-56.1173.2000108.6P167 M168 P357 A358 H362 R370 L373 L379P167-I375 HydrophobicContact CG-CD1 4.12Å; P167-I375 HydrophobicContact CG-CG1 4.16Å; M168-I375 HydrophobicContact CG-CG1 4.41Å; M168-I375 HydrophobicContact SD-CG1 4.05Å; P357-I375 HydrophobicContact CB-CG2 4.18Å; A358-I375 HydrophobicContact CB-CG2 4.05Å; H362-I375 HydrophobicContact CB-CD1 4.42Å; R370-I375 HydrophobicContact CB-CB 3.96Å; R370-I375 HydrophobicContact CB-CG2 4.4Å; R370-I375 HydrophobicContact CG-CB 4.29Å; R370-I375 HydrophobicContact CG-CG2 4.34Å; R370-I375 PolarHBondContact O-N 3.21Å; L373-I375 HydrophobicContact CB-CD1 4.12Å; L373-I375 HydrophobicContact CB-CG1 4.06Å; L373-I375 HydrophobicContact CD1-CD1 4.14Å; I375-L379 HydrophobicContact CB-CD2 4.29Å; I375-L379 HydrophobicContact CG1-CD2 4.28Å; I375-L379 HydrophobicContact CG2-CD2 3.97Å
376S94.4Very high93Very high40 Ų4045.5 Ų45.528%0.2825%0.251SS..  trans-93.9170.9-176.676.10000113.6Y323 G374 T378 L379Y323-S376 WeakPolarHBondContact CD1-OG 3.39Å; Y323-S376 VanDerWaalsContact CE1-OG 3.23Å; Y323-S376 WeakPolarHBondContact CE1-OG 3.42Å; G374-S376 VanDerWaalsContact C-N 3.32Å; G374-S376 PolarHBondContact O-N 3.04Å; S376-T378 PolarHBondContact O-N 3.34Å; S376-T378 VanDerWaalsContact O-N 3.13Å; S376-T378 PolarHBondContact OG-N 3.12Å; S376-T378 PolarHBondContact OG-OG1 3.16Å; S376-L379 VanDerWaalsContact O-CB 3.29Å; S376-L379 WeakPolarHBondContact O-CB 3.41Å; S376-L379 PolarHBondContact O-N 2.97Å; S376-L379 VanDerWaalsContact O-N 3.08Å
377D95.4Very high93.8Very high91 Ų9145.1 Ų45.149%0.48724%0.244SC..THydrogen-bonded Turntrans-63.7-8173.6-75.3-1.2000115.3L328 H356L328-D377 WeakPolarHBondContact CA-O 3.4Å; L328-D377 HydrophobicContact CB-CB 4.03Å; L328-D377 HydrophobicContact CD1-CB 4.29Å; H356-D377 PolarHBondContact NE2-O 2.95Å
378T97.3Very high94.4Very high25 Ų2543.5 Ų43.515%0.15324%0.241CC..THydrogen-bonded Turntrans-112.33.4175.157.90000112.8Y323 I324 S376Y323-T378 WeakPolarHBondContact CA-O 3.35Å; I324-T378 HydrophobicContact CG2-CG2 4.33Å; I324-T378 PolarHBondContact N-O 3.01Å; I324-T378 VanDerWaalsContact N-O 3.11Å; I324-T378 VanDerWaalsContact O-CB 3.26Å; I324-T378 WeakPolarHBondContact O-CB 3.27Å; S376-T378 PolarHBondContact O-N 3.34Å; S376-T378 VanDerWaalsContact O-N 3.13Å; S376-T378 PolarHBondContact OG-N 3.12Å; S376-T378 PolarHBondContact OG-OG1 3.16Å
379L98.1Very high95Very high0 Ų036.9 Ų36.90%022%0.218CC..EExtended strand (participates in β ladder)trans-74.3126.6177.7-171.580.6000110P167 M168 T321 Y323 P357 I375 S376P167-L379 HydrophobicContact CB-CD2 4.43Å; P167-L379 HydrophobicContact CG-CD2 3.9Å; M168-L379 HydrophobicContact SD-CD1 4.2Å; M168-L379 HydrophobicContact SD-CD2 4.06Å; T321-L379 HydrophobicContact CG2-CD1 3.35Å; T321-L379 HydrophobicContact CG2-CD2 4.49Å; T321-L379 HydrophobicContact CG2-CG 4.06Å; Y323-L379 HydrophobicContact CD1-CB 4.5Å; Y323-L379 HydrophobicContact CD1-CD1 4.22Å; Y323-L379 HydrophobicContact CD2-CD1 4.16Å; Y323-L379 HydrophobicContact CE1-CB 4.22Å; Y323-L379 HydrophobicContact CE1-CD1 3.67Å; Y323-L379 HydrophobicContact CE2-CD1 3.57Å; Y323-L379 HydrophobicContact CG-CD1 4.46Å; P357-L379 HydrophobicContact CB-CD2 4.02Å; P357-L379 VanDerWaalsContact CD-O 3.31Å; P357-L379 WeakPolarHBondContact CD-O 3.39Å; P357-L379 HydrophobicContact CG-CD2 3.77Å; P357-L379 HydrophobicContact CG-CG 4.33Å; I375-L379 HydrophobicContact CB-CD2 4.29Å; I375-L379 HydrophobicContact CG1-CD2 4.28Å; I375-L379 HydrophobicContact CG2-CD2 3.97Å; S376-L379 VanDerWaalsContact O-CB 3.29Å; S376-L379 WeakPolarHBondContact O-CB 3.41Å; S376-L379 PolarHBondContact O-N 2.97Å; S376-L379 VanDerWaalsContact O-N 3.08Å
380I98.6Very high95.7Very high0 Ų036.7 Ų36.70%023%0.229CC..EExtended strand (participates in β ladder)trans-123.7137172.9-65161.5000108.3T321 F322 I324 A331 F334 L335 L382T321-I380 WeakPolarHBondContact CA-O 3.45Å; F322-I380 HydrophobicContact CD1-CB 4.04Å; F322-I380 HydrophobicContact CD1-CG2 4.15Å; F322-I380 HydrophobicContact CE1-CB 3.58Å; F322-I380 HydrophobicContact CE1-CD1 4.22Å; F322-I380 HydrophobicContact CE1-CG2 3.39Å; F322-I380 HydrophobicContact CE2-CB 4.45Å; F322-I380 HydrophobicContact CE2-CD1 3.9Å; F322-I380 HydrophobicContact CZ-CB 3.82Å; F322-I380 HydrophobicContact CZ-CD1 3.54Å; F322-I380 HydrophobicContact CZ-CG1 4.29Å; F322-I380 HydrophobicContact CZ-CG2 3.85Å; F322-I380 PolarHBondContact N-O 3.32Å; F322-I380 PolarHBondContact O-N 3.06Å; I324-I380 HydrophobicContact CB-CD1 4.11Å; I324-I380 HydrophobicContact CG2-CD1 4.01Å; A331-I380 HydrophobicContact CB-CD1 4.2Å; A331-I380 HydrophobicContact CB-CG1 4.41Å; F334-I380 HydrophobicContact CD1-CD1 3.54Å; F334-I380 HydrophobicContact CE1-CD1 3.94Å; F334-I380 HydrophobicContact CE1-CG2 4.21Å; F334-I380 HydrophobicContact CG-CD1 4.36Å; L335-I380 HydrophobicContact CD2-CG2 4.09Å; I380-L382 HydrophobicContact CG2-CD2 3.92Å; I380-L382 HydrophobicContact CG2-CG 4.48Å
381R98.6Very high96.2Very high6 Ų638.5 Ų38.52%0.02324%0.242CC..EExtended strand (participates in β ladder)trans-110.8133.1170.2-167.8-168.980.6-143.5-7.5109.3N166 M319 I320 S346 A354 E355 P357N166-R381 PolarHBondContact OD1-NH1 3.36Å; M319-R381 HydrophobicContact CE-CG 4.03Å; I320-R381 CarbonylContact O-C 3.59Å; I320-R381 WeakPolarHBondContact O-CA 3.44Å; S346-R381 PolarHBondContact O-NH2 3.49Å; A354-R381 WeakPolarHBondContact CA-O 3.3Å; E355-R381 VanDerWaalsContact CD-NH1 3.35Å; E355-R381 HydrophobicContact CG-CB 3.93Å; E355-R381 PolarHBondContact N-O 3Å; E355-R381 PolarHBondContact O-N 3.48Å; E355-R381 IonicContact OE1-CZ 3.39Å; E355-R381 IonicContact OE1-NE 3.73Å; E355-R381 IonicContact OE1-NH1 3.52Å; E355-R381 PolarHBondContact OE1-NH1 2.99Å; E355-R381 IonicContact OE1-NH2 3.72Å; E355-R381 PolarHBondContact OE1-NH2 3.5Å; E355-R381 IonicContact OE2-CZ 2.87Å; E355-R381 IonicContact OE2-NH1 2.84Å; E355-R381 IonicContact OE2-NH2 3.59Å; E355-R381 PolarHBondContact OE2-NH2 3.16Å; P357-R381 HydrophobicContact CG-CB 4.01Å
382L98.9Very high96.7Very high0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-110.9137.1172.1-53.2179.9000109.7L286 M319 I320 F322 F341 L353 A354 I380 V384 L396L286-L382 HydrophobicContact CD1-CD1 3.9Å; M319-L382 WeakPolarHBondContact CA-O 3.21Å; M319-L382 WeakPolarHBondContact CE-O 3.24Å; I320-L382 HydrophobicContact CB-CB 4.32Å; I320-L382 PolarHBondContact N-O 3.16Å; I320-L382 PolarHBondContact O-N 3.12Å; F322-L382 HydrophobicContact CD1-CD1 4.29Å; F322-L382 HydrophobicContact CD1-CG 4.34Å; F322-L382 HydrophobicContact CE1-CD1 3.92Å; F322-L382 HydrophobicContact CE1-CD2 4.22Å; F322-L382 HydrophobicContact CE1-CG 3.97Å; F341-L382 HydrophobicContact CD1-CD2 4.19Å; F341-L382 HydrophobicContact CE1-CB 4.19Å; F341-L382 HydrophobicContact CE1-CD1 4.44Å; F341-L382 HydrophobicContact CE1-CD2 4.19Å; L353-L382 CarbonylContact O-C 3.56Å; L353-L382 WeakPolarHBondContact O-CA 3.49Å; A354-L382 HydrophobicContact CB-CD2 3.57Å; I380-L382 HydrophobicContact CG2-CD2 3.92Å; I380-L382 HydrophobicContact CG2-CG 4.48Å; L382-V384 HydrophobicContact CB-CG2 4.26Å; L382-L396 HydrophobicContact CD1-CD1 4.47Å; L382-L396 HydrophobicContact CD1-CD2 3.87Å
383S98.8Very high97.1Very high1 Ų131.8 Ų31.81%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-10795.5160.5171.30000106.6L347 G348 S352 L353 G385L347-S383 WeakPolarHBondContact CA-OG 3.36Å; G348-S383 PolarHBondContact N-OG 3.01Å; S352-S383 CarbonylContact C-O 3.54Å; S352-S383 VanDerWaalsContact CA-O 3.29Å; S352-S383 WeakPolarHBondContact CA-O 3.26Å; L353-S383 PolarHBondContact N-O 3.39Å; L353-S383 PolarHBondContact O-N 3.29Å; S383-G385 PolarHBondContact O-N 2.8Å
384V98.9Very high97.6Very high0 Ų037.2 Ų37.20%022%0.216CC..  trans-74.4123.9-178.4-1760000109.7H275 N278 A279 A282 G318 I320 F341 L382 I392H275-V384 PolarHBondContact ND1-O 3.06Å; N278-V384 HydrophobicContact CB-CG1 3.61Å; A279-V384 HydrophobicContact CB-CB 4.23Å; A279-V384 HydrophobicContact CB-CG2 4.34Å; A282-V384 HydrophobicContact CB-CG2 4.33Å; G318-V384 WeakPolarHBondContact O-CB 3.33Å; G318-V384 PolarHBondContact O-N 2.91Å; I320-V384 HydrophobicContact CD1-CG2 3.65Å; I320-V384 HydrophobicContact CG1-CG2 4.22Å; F341-V384 HydrophobicContact CE1-CG2 4.38Å; F341-V384 HydrophobicContact CZ-CG2 4.32Å; L382-V384 HydrophobicContact CB-CG2 4.26Å; V384-I392 HydrophobicContact CG1-CD1 3.74Å; V384-I392 HydrophobicContact CG1-CG2 4.35Å
385G98.8Very high98Very high0 Ų036.4 Ų36.40%021%0.206CC..  trans-84.4-154.4-175.900000114.2N278 Y350 S352 S383 E387N278-G385 PolarHBondContact ND2-O 2.98Å; Y350-G385 CarbonylContact O-C 3.58Å; Y350-G385 WeakPolarHBondContact O-CA 3.2Å; S352-G385 PolarHBondContact OG-N 2.87Å; S383-G385 PolarHBondContact O-N 2.8Å; G385-E387 VanDerWaalsContact C-OE2 3.25Å; G385-E387 WeakPolarHBondContact CA-OE2 3.45Å
386L98.9Very high98.3Very high53 Ų5336.1 Ų36.128%0.27720%0.204SC..SBendtrans-105.97.9-173.9-54.1-179.4000113R271 Q274 Y350R271-L386 HydrophobicContact CB-CD1 4.16Å; R271-L386 HydrophobicContact CB-CD2 4.27Å; R271-L386 HydrophobicContact CG-CD1 3.69Å; R271-L386 WeakPolarHBondContact O-CD2 3.23Å; Q274-L386 HydrophobicContact CB-CD2 3.77Å; Q274-L386 HydrophobicContact CG-CB 4.41Å; Q274-L386 HydrophobicContact CG-CD2 3.88Å; Y350-L386 PolarHBondContact O-N 3.28Å
387E98.8Very high98.5Very high48 Ų4837 Ų3722%0.22421%0.206CC..SBendtrans-63.2170.6176.5-56.190.5163.300112N278 M340 E351 S352 G385 A389 I392N278-E387 PolarHBondContact ND2-O 3.03Å; M340-E387 HydrophobicContact SD-CB 3.94Å; M340-E387 HydrophobicContact SD-CG 3.91Å; E351-E387 WeakPolarHBondContact CA-OE1 3.36Å; S352-E387 WeakPolarHBondContact CB-OE1 2.97Å; S352-E387 PolarHBondContact N-OE1 2.87Å; S352-E387 VanDerWaalsContact OG-CD 3.31Å; S352-E387 PolarHBondContact OG-OE1 2.65Å; S352-E387 PolarHBondContact OG-OE2 3.16Å; G385-E387 VanDerWaalsContact C-OE2 3.25Å; G385-E387 WeakPolarHBondContact CA-OE2 3.45Å; E387-A389 PolarHBondContact O-N 3.2Å; E387-I392 HydrophobicContact CB-CD1 4.34Å; E387-I392 HydrophobicContact CB-CG1 4.31Å
388D98.7Very high98.6Very high117 Ų11734.4 Ų34.463%0.62619%0.191SC*.  trans-63.5131174.7-75.2-42.7000110.5A390 D391 I392D388-A390 PolarHBondContact O-N 3.2Å; D388-A390 VanDerWaalsContact O-N 3.15Å; D388-D391 PolarHBondContact O-N 3.49Å; D388-I392 PolarHBondContact O-N 3.14Å; D388-I392 VanDerWaalsContact O-N 3.13Å
389A98.3Very high98.7Very high35 Ų3533.2 Ų33.229%0.28918%0.183SC..Hα-helixtrans-59.7-29.8-175.400000113.3E387 I393E387-A389 PolarHBondContact O-N 3.2Å; A389-I393 WeakPolarHBondContact O-CG1 3.33Å; A389-I393 PolarHBondContact O-N 3.1Å; A389-I393 VanDerWaalsContact O-N 3.12Å
390A98.5Very high98.7Very high67 Ų6733.2 Ų33.255%0.55418%0.183SC*.Hα-helixtrans-65.6-44176.300000111.5D388 I392 I393 E394D388-A390 PolarHBondContact O-N 3.2Å; D388-A390 VanDerWaalsContact O-N 3.15Å; A390-I392 VanDerWaalsContact C-N 3.35Å; A390-I393 PolarHBondContact O-N 3.18Å; A390-E394 WeakPolarHBondContact O-CB 3.37Å; A390-E394 PolarHBondContact O-N 2.84Å
391D98.8Very high98.7Very high79 Ų7935.8 Ų35.842%0.42220%0.197SC..Hα-helixtrans-67.9-37.7179.9-60.6-10.2000110.9M340 D388 I393 E394 D395M340-D391 HydrophobicContact SD-CB 4.04Å; D388-D391 PolarHBondContact O-N 3.49Å; D391-I393 PolarHBondContact O-N 3.07Å; D391-E394 PolarHBondContact O-N 2.91Å; D391-D395 WeakPolarHBondContact O-CB 3.21Å; D391-D395 PolarHBondContact O-N 3.3Å
392I98.8Very high98.7Very high1 Ų138.6 Ų38.61%0.00522%0.215CC..Hα-helixtrans-55.7-50.6170.8-72162000110.7N278 A282 M340 F341 V384 E387 D388 A390 L396N278-I392 HydrophobicContact CB-CD1 3.81Å; A282-I392 HydrophobicContact CB-CG2 3.96Å; M340-I392 HydrophobicContact CE-CB 4.18Å; M340-I392 HydrophobicContact CE-CG1 3.59Å; F341-I392 HydrophobicContact CE2-CB 4.47Å; F341-I392 HydrophobicContact CE2-CG1 4.49Å; F341-I392 HydrophobicContact CE2-CG2 3.97Å; F341-I392 HydrophobicContact CZ-CG2 3.98Å; V384-I392 HydrophobicContact CG1-CD1 3.74Å; V384-I392 HydrophobicContact CG1-CG2 4.35Å; E387-I392 HydrophobicContact CB-CD1 4.34Å; E387-I392 HydrophobicContact CB-CG1 4.31Å; D388-I392 PolarHBondContact O-N 3.14Å; D388-I392 VanDerWaalsContact O-N 3.13Å; A390-I392 VanDerWaalsContact C-N 3.35Å; I392-L396 HydrophobicContact CG2-CD1 4.09Å; I392-L396 VanDerWaalsContact O-CG 3.22Å; I392-L396 WeakPolarHBondContact O-CG 3.25Å; I392-L396 PolarHBondContact O-N 2.83Å; I392-L396 VanDerWaalsContact O-N 3.16Å
393I98.8Very high98.6Very high52 Ų5239 Ų3927%0.26722%0.218SC..Hα-helixtrans-68.6-41.3-177.5-68.8166.1000111.1A281 F285 A389 A390 D391 L396 D397A281-I393 HydrophobicContact CB-CD1 4.35Å; F285-I393 HydrophobicContact CB-CG1 4.32Å; F285-I393 HydrophobicContact CB-CG2 4.48Å; F285-I393 HydrophobicContact CD1-CG2 4.34Å; F285-I393 HydrophobicContact CD2-CG2 3.62Å; F285-I393 HydrophobicContact CE2-CG2 3.9Å; F285-I393 HydrophobicContact CG-CG1 4.45Å; F285-I393 HydrophobicContact CG-CG2 3.87Å; F285-I393 HydrophobicContact CZ-CG2 4.4Å; A389-I393 WeakPolarHBondContact O-CG1 3.33Å; A389-I393 PolarHBondContact O-N 3.1Å; A389-I393 VanDerWaalsContact O-N 3.12Å; A390-I393 PolarHBondContact O-N 3.18Å; D391-I393 PolarHBondContact O-N 3.07Å; I393-L396 PolarHBondContact O-N 3.15Å; I393-D397 WeakPolarHBondContact O-CB 3.3Å; I393-D397 PolarHBondContact O-N 2.99Å
394E98.8Very high98.5Very high135 Ų13540.8 Ų40.863%0.63123%0.226SC*.Hα-helixtrans-62.1-43.5178.1-175.8174177.800111.7A390 D391 L396 D397 Q398A390-E394 WeakPolarHBondContact O-CB 3.37Å; A390-E394 PolarHBondContact O-N 2.84Å; D391-E394 PolarHBondContact O-N 2.91Å; E394-L396 PolarHBondContact O-N 3.26Å; E394-D397 PolarHBondContact O-N 2.8Å; E394-Q398 WeakPolarHBondContact O-CB 3.5Å; E394-Q398 VanDerWaalsContact O-CG 3.24Å; E394-Q398 WeakPolarHBondContact O-CG 3.41Å; E394-Q398 PolarHBondContact O-N 3.31Å
395D98.9Very high97.8Very high8 Ų845.4 Ų45.44%0.04326%0.256CS..Hα-helixtrans-64.9-40.2178.2-166.634.2000112.1K339 M340 F341 D391 Q398 A399K339-D395 PolarHBondContact N-OD1 3.46Å; K339-D395 PolarHBondContact N-OD2 3.08Å; M340-D395 WeakPolarHBondContact CA-OD2 3.49Å; M340-D395 HydrophobicContact CB-CB 4.14Å; M340-D395 WeakPolarHBondContact CB-OD2 3.31Å; M340-D395 HydrophobicContact CE-CB 4.47Å; M340-D395 PolarHBondContact N-OD2 3.46Å; F341-D395 PolarHBondContact N-OD2 3.3Å; D391-D395 WeakPolarHBondContact O-CB 3.21Å; D391-D395 PolarHBondContact O-N 3.3Å; D395-Q398 WeakPolarHBondContact O-CG 3.31Å; D395-Q398 PolarHBondContact O-NE2 3.18Å; D395-Q398 PolarHBondContact OD1-NE2 3.4Å; D395-A399 VanDerWaalsContact O-CB 3.3Å; D395-A399 WeakPolarHBondContact O-CB 3.42Å; D395-A399 PolarHBondContact O-N 2.91Å; D395-A399 VanDerWaalsContact O-N 3.16Å
396L98.8Very high96.8Very high0 Ų053.8 Ų53.80%029%0.293CS..Hα-helixtrans-65.1-46174.6-66.8172.4000111.7A282 F285 L286 F334 L338 F341 L382 I392 I393 E394 A399 L400A282-L396 HydrophobicContact CB-CD1 4Å; F285-L396 HydrophobicContact CD1-CB 4.25Å; F285-L396 HydrophobicContact CD1-CD1 4.37Å; F285-L396 HydrophobicContact CE1-CB 3.79Å; L286-L396 HydrophobicContact CD1-CD1 4.46Å; L286-L396 HydrophobicContact CG-CD1 4.45Å; F334-L396 HydrophobicContact CE2-CD2 4.27Å; F334-L396 HydrophobicContact CZ-CD2 3.74Å; L338-L396 HydrophobicContact CD2-CD2 4.32Å; F341-L396 HydrophobicContact CD2-CD2 4.42Å; F341-L396 HydrophobicContact CE2-CD2 4.07Å; F341-L396 HydrophobicContact CE2-CG 4.09Å; F341-L396 HydrophobicContact CZ-CD2 4.39Å; L382-L396 HydrophobicContact CD1-CD1 4.47Å; L382-L396 HydrophobicContact CD1-CD2 3.87Å; I392-L396 HydrophobicContact CG2-CD1 4.09Å; I392-L396 VanDerWaalsContact O-CG 3.22Å; I392-L396 WeakPolarHBondContact O-CG 3.25Å; I392-L396 PolarHBondContact O-N 2.83Å; I392-L396 VanDerWaalsContact O-N 3.16Å; I393-L396 PolarHBondContact O-N 3.15Å; E394-L396 PolarHBondContact O-N 3.26Å; L396-A399 PolarHBondContact O-N 3.41Å; L396-L400 WeakPolarHBondContact O-CB 3.49Å; L396-L400 VanDerWaalsContact O-CG 3.27Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.85Å
397D98.8Very high95.3Very high59 Ų5961.2 Ų61.232%0.31632%0.323SS..Hα-helixtrans-62.5-48.1-179.2-17949.1000112.1F285 R291 I393 E394 A399 L400 N401F285-D397 HydrophobicContact CE1-CB 4.49Å; F285-D397 HydrophobicContact CE2-CB 4.26Å; F285-D397 HydrophobicContact CZ-CB 3.65Å; R291-D397 IonicContact CZ-OD1 3.46Å; R291-D397 PolarHBondContact NH1-O 3.5Å; R291-D397 IonicContact NH1-OD1 3.48Å; R291-D397 IonicContact NH2-OD1 2.65Å; R291-D397 PolarHBondContact NH2-OD1 3.5Å; I393-D397 WeakPolarHBondContact O-CB 3.3Å; I393-D397 PolarHBondContact O-N 2.99Å; E394-D397 PolarHBondContact O-N 2.8Å; D397-A399 PolarHBondContact O-N 3.36Å; D397-L400 PolarHBondContact O-N 3.14Å; D397-N401 PolarHBondContact O-N 2.91Å; D397-N401 PolarHBondContact O-ND2 3.31Å; D397-N401 PolarHBondContact OD1-ND2 3.31Å; D397-N401 PolarHBondContact OD2-ND2 3.1Å; D397-N401 VanDerWaalsContact OD2-ND2 3.16Å
398Q98.6Very high92.8Very high36 Ų3670 Ų7017%0.16837%0.371CS..Hα-helixtrans-65-40.8-178.571.480.829.400111.3N337 E394 D395 L400 N401 V402N337-Q398 PolarHBondContact O-NE2 2.77Å; E394-Q398 WeakPolarHBondContact O-CB 3.5Å; E394-Q398 VanDerWaalsContact O-CG 3.24Å; E394-Q398 WeakPolarHBondContact O-CG 3.41Å; E394-Q398 PolarHBondContact O-N 3.31Å; D395-Q398 WeakPolarHBondContact O-CG 3.31Å; D395-Q398 PolarHBondContact O-NE2 3.18Å; D395-Q398 PolarHBondContact OD1-NE2 3.4Å; Q398-L400 PolarHBondContact O-N 3.19Å; Q398-N401 WeakPolarHBondContact O-CB 3.43Å; Q398-N401 PolarHBondContact O-N 3.46Å; Q398-V402 WeakPolarHBondContact O-CG2 3.36Å; Q398-V402 PolarHBondContact O-N 2.7Å; Q398-V402 VanDerWaalsContact O-N 3.14Å
399A98.6Very high92.5Very high0 Ų067.7 Ų67.70%036%0.359CS..Hα-helixtrans-66-39.8177.100000111.8F334 N337 L338 D395 L396 D397 N401 V402 A403F334-A399 HydrophobicContact CD2-CB 3.56Å; F334-A399 HydrophobicContact CE2-CB 3.68Å; F334-A399 HydrophobicContact CG-CB 4.41Å; N337-A399 HydrophobicContact CB-CB 4.44Å; L338-A399 HydrophobicContact CD2-CB 3.76Å; L338-A399 HydrophobicContact CG-CB 4.17Å; D395-A399 VanDerWaalsContact O-CB 3.3Å; D395-A399 WeakPolarHBondContact O-CB 3.42Å; D395-A399 PolarHBondContact O-N 2.91Å; D395-A399 VanDerWaalsContact O-N 3.16Å; L396-A399 PolarHBondContact O-N 3.41Å; D397-A399 PolarHBondContact O-N 3.36Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 2.99Å; A399-V402 PolarHBondContact O-N 2.75Å; A399-A403 PolarHBondContact O-N 3.48Å; A399-A403 VanDerWaalsContact O-N 3.08Å
400L98.6Very high92.2Very high0 Ų069.4 Ų69.40%036%0.362CS..Hα-helixtrans-64.3-35.1173.7-75.2169.5000111.8F285 L286 R291 V292 I324 F334 L396 D397 Q398 V402 A403 H404F285-L400 HydrophobicContact CE1-CD1 4.11Å; F285-L400 HydrophobicContact CZ-CD1 4.47Å; L286-L400 HydrophobicContact CD2-CD1 4.11Å; R291-L400 HydrophobicContact CB-CD2 4.35Å; R291-L400 VanDerWaalsContact NH1-C 3.26Å; V292-L400 HydrophobicContact CG2-CD1 4.28Å; V292-L400 HydrophobicContact CG2-CD2 4.38Å; I324-L400 HydrophobicContact CD1-CD2 3.85Å; I324-L400 HydrophobicContact CG1-CD2 4.19Å; F334-L400 HydrophobicContact CD2-CD2 3.85Å; F334-L400 HydrophobicContact CD2-CG 3.88Å; F334-L400 HydrophobicContact CE2-CD2 4.08Å; F334-L400 HydrophobicContact CE2-CG 3.83Å; L396-L400 WeakPolarHBondContact O-CB 3.49Å; L396-L400 VanDerWaalsContact O-CG 3.27Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.85Å; D397-L400 PolarHBondContact O-N 3.14Å; Q398-L400 PolarHBondContact O-N 3.19Å; L400-V402 VanDerWaalsContact C-N 3.33Å; L400-A403 PolarHBondContact O-N 3.43Å; L400-H404 PolarHBondContact O-N 3.31Å
401N98.1Very high91.8Very high54 Ų5469.5 Ų69.529%0.28935%0.352SS..Hα-helixtrans-65.4-37.3177-81.3-50.5000111.5R291 D397 Q398 A399 H404 P405R291-N401 VanDerWaalsContact NH1-CA 3.32Å; R291-N401 PolarHBondContact NH1-OD1 3.42Å; D397-N401 PolarHBondContact O-N 2.91Å; D397-N401 PolarHBondContact O-ND2 3.31Å; D397-N401 PolarHBondContact OD1-ND2 3.31Å; D397-N401 PolarHBondContact OD2-ND2 3.1Å; D397-N401 VanDerWaalsContact OD2-ND2 3.16Å; Q398-N401 WeakPolarHBondContact O-CB 3.43Å; Q398-N401 PolarHBondContact O-N 3.46Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 2.99Å; N401-H404 CarbonylContact O-C 3.53Å; N401-H404 VanDerWaalsContact O-C 3.22Å; N401-P405 VanDerWaalsContact O-CA 3.31Å; N401-P405 WeakPolarHBondContact O-CA 3.25Å
402V97.8Very high91.4Very high66 Ų6668.9 Ų68.940%0.435%0.347SS..Hα-helixtrans-70.8-40.6175.9-177.90000111.3T333 N337 Q398 A399 L400 H404T333-V402 HydrophobicContact CG2-CG1 3.81Å; N337-V402 HydrophobicContact CB-CB 4.29Å; N337-V402 HydrophobicContact CB-CG1 4.41Å; N337-V402 HydrophobicContact CB-CG2 4.42Å; Q398-V402 WeakPolarHBondContact O-CG2 3.36Å; Q398-V402 PolarHBondContact O-N 2.7Å; Q398-V402 VanDerWaalsContact O-N 3.14Å; A399-V402 PolarHBondContact O-N 2.75Å; L400-V402 VanDerWaalsContact C-N 3.33Å; V402-H404 VanDerWaalsContact C-N 3.35Å
403A97.7Very high91Very high7 Ų773.2 Ų73.26%0.05837%0.369CS..Hα-helixtrans-68.9-32.5177.900000113.1I324 H330 T333 F334 A399 L400I324-A403 HydrophobicContact CD1-CB 4.03Å; H330-A403 PolarHBondContact CD2-O 3.23Å; H330-A403 VanDerWaalsContact CD2-O 3.27Å; H330-A403 WeakPolarHBondContact O-CB 3.35Å; T333-A403 HydrophobicContact CG2-CB 4.23Å; F334-A403 HydrophobicContact CB-CB 3.94Å; A399-A403 PolarHBondContact O-N 3.48Å; A399-A403 VanDerWaalsContact O-N 3.08Å; L400-A403 PolarHBondContact O-N 3.43Å
404H95.9Very high90.4Very high39 Ų3974.6 Ų74.618%0.18138%0.376CS..SBendtrans-128.274.8177.9-67.7-80.1000110.5R291 K325 H330 L400 N401 V402 K406R291-H404 HydrophobicContact CB-CB 4.36Å; R291-H404 HydrophobicContact CG-CB 3.75Å; K325-H404 PolarHBondContact O-CE1 3.18Å; K325-H404 PolarHBondContact O-NE2 3.36Å; K325-H404 VanDerWaalsContact O-NE2 3.1Å; H330-H404 AromaticContact CD2-CE1 3.2Å; H330-H404 PolarHBondContact CD2-CE1 3.14Å; H330-H404 AromaticContact CD2-ND1 3.56Å; H330-H404 AromaticContact CD2-NE2 3.74Å; H330-H404 AromaticContact CG-CE1 3.95Å; H330-H404 AromaticContact NE2-CE1 3.93Å; L400-H404 PolarHBondContact O-N 3.31Å; N401-H404 CarbonylContact O-C 3.53Å; N401-H404 VanDerWaalsContact O-C 3.22Å; V402-H404 VanDerWaalsContact C-N 3.35Å; H404-K406 PolarHBondContact O-N 3.27Å
405P84.1Confident89.8Confident97 Ų9770.3 Ų70.363%0.6336%0.357SS*.  trans-60.9135.2178.725.7-32.9000109.4N401 K407N401-P405 VanDerWaalsContact O-CA 3.31Å; N401-P405 WeakPolarHBondContact O-CA 3.25Å; P405-K407 PolarHBondContact O-N 2.8Å
406K78.8Confident89.1Confident177 Ų17775.1 Ų75.177%0.7738%0.382SS*.  trans-56.8125.5172.9-69.1-179.8-178.8174.40107.8H404 N408H404-K406 PolarHBondContact O-N 3.27Å; K406-N408 PolarHBondContact O-N 2.95Å; K406-N408 VanDerWaalsContact O-N 3.14Å
407K66.6Low88.3Confident208 Ų20881.3 Ų81.390%0.90441%0.413SS*.  trans-64.8115.7168.2-72.4-174.9177.3-178.70106.7P405P405-K407 PolarHBondContact O-N 2.8Å
408N46.6Very low87.4Confident233 Ų23383.4 Ų83.4100%1.24642%0.422SS*.  trans-57.30173.5-74.5-20.2000111.8K406K406-N408 PolarHBondContact O-N 2.95Å; K406-N408 VanDerWaalsContact O-N 3.14Å

Retrieved 408 of 408 residues in 535.1 ms (Link to these results)

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