A0A087WYH7_HUMAN Loading...

Laminin subunit alpha 5

AlphaFold DB , UniProt , Accession A0A087WYH7, Species HUMAN (Homo sapiens, Human), Gene LAMA5, Length 241 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
1R90.2Very high84.3Confident287 Ų287138 Ų138100%1.08363%0.628SS**  0120.20179178.6-178.5176.72.3108.8
2L91.9Very high82.7Confident107 Ų107132.8 Ų132.856%0.5664%0.641SS**  trans-83.6132.2174.9-59.5180000109.6F4 I32 I35L2-F4 HydrophobicContact CB-CE2 3.74Å; L2-F4 HydrophobicContact CB-CZ 3.93Å; L2-F4 HydrophobicContact CD1-CE2 4.36Å; L2-F4 HydrophobicContact CD1-CZ 4.03Å; L2-I32 HydrophobicContact CD1-CD1 4.24Å; L2-I35 HydrophobicContact CD1-CD1 3.59Å; L2-I35 HydrophobicContact CD1-CG1 4.41Å
3R93.9Very high81.5Confident200 Ų200128.2 Ų128.276%0.75562%0.618SS**  trans-126.5106178.6-171.9179.3-177.8-170.5-5.1109.2L5R3-L5 HydrophobicContact CG-CD2 3.9Å; R3-L5 HydrophobicContact CG-CG 4.29Å
4F90.9Very high80.5Confident105 Ų105124.6 Ų124.646%0.46160%0.603SS.*  trans-91.1113.1178.3-60.9-76.1000109.8L2 Y30 I32L2-F4 HydrophobicContact CB-CE2 3.74Å; L2-F4 HydrophobicContact CB-CZ 3.93Å; L2-F4 HydrophobicContact CD1-CE2 4.36Å; L2-F4 HydrophobicContact CD1-CZ 4.03Å; F4-Y30 HydrophobicContact CB-CD2 4.01Å; F4-Y30 HydrophobicContact CB-CE1 4.43Å; F4-Y30 HydrophobicContact CB-CE2 3.53Å; F4-Y30 AromaticContact CD1-CD1 3.67Å; F4-Y30 HydrophobicContact CD1-CD1 3.67Å; F4-Y30 HydrophobicContact CD1-CD2 4.08Å; F4-Y30 AromaticContact CD1-CE1 3.7Å; F4-Y30 HydrophobicContact CD1-CE1 3.7Å; F4-Y30 HydrophobicContact CD1-CE2 4.12Å; F4-Y30 AromaticContact CD1-CG 3.84Å; F4-Y30 HydrophobicContact CD1-CG 3.84Å; F4-Y30 AromaticContact CD1-CZ 3.89Å; F4-Y30 HydrophobicContact CE1-CD1 4.17Å; F4-Y30 HydrophobicContact CE1-CG 4.36Å; F4-Y30 HydrophobicContact CG-CD1 4.49Å; F4-Y30 HydrophobicContact CG-CD2 4.1Å; F4-Y30 HydrophobicContact CG-CE1 4.46Å; F4-Y30 HydrophobicContact CG-CE2 4.07Å; F4-Y30 HydrophobicContact CG-CG 4.29Å; F4-I32 HydrophobicContact CE1-CD1 4.27Å; F4-I32 HydrophobicContact CE2-CD1 4.06Å; F4-I32 HydrophobicContact CZ-CD1 3.44Å; F4-I32 VanDerWaalsContact CZ-CD1 3.44Å; F4-I32 HydrophobicContact CZ-CG1 4.41Å
5L88.9Confident79.4Confident133 Ų133125.9 Ų125.970%0.69661%0.61SS**  trans-100.2-41.8-174-66.3178.4000113.4R3R3-L5 HydrophobicContact CG-CD2 3.9Å; R3-L5 HydrophobicContact CG-CG 4.29Å
6R85.5Confident78.4Confident209 Ų209118.9 Ų118.979%0.78958%0.581SS**  trans-155.9131.8-177.8-173.3-179.4-73.1179-2.2111Y30R6-Y30 WeakPolarHBondContact CA-OH 3.42Å; R6-Y30 PolarHBondContact N-OH 2.92Å; R6-Y30 VanDerWaalsContact N-OH 3.16Å; R6-Y30 PolarHBondContact O-OH 3.44Å
7T84.1Confident77.7Confident28 Ų28115.4 Ų115.417%0.17256%0.562CS.*  trans-69.9136.917348.30000110T9 K17 Y30T7-T9 PolarHBondContact O-N 3.24Å; T7-K17 PolarHBondContact O-NZ 3.46Å; T7-K17 PolarHBondContact OG1-NZ 2.92Å; T7-Y30 HydrophobicContact CG2-CD2 4.01Å; T7-Y30 HydrophobicContact CG2-CE1 4.16Å; T7-Y30 HydrophobicContact CG2-CE2 3.52Å; T7-Y30 PolarHBondContact N-OH 3.13Å; T7-Y30 VanDerWaalsContact N-OH 3.16Å
8N81.5Confident77.4Confident146 Ų146113.4 Ų113.478%0.78157%0.567SS**  trans-65.5129175.5-169.62.1000109.5Y28N8-Y28 WeakPolarHBondContact O-CD1 3.47Å; N8-Y28 VanDerWaalsContact O-CE1 3.31Å; N8-Y28 WeakPolarHBondContact O-CE1 3.22Å
9T79.1Confident77.4Confident28 Ų28115.1 Ų115.117%0.17258%0.577CS.*  trans-118.6131.8-17853.50000110T7 K17 Y28T7-T9 PolarHBondContact O-N 3.24Å; T9-K17 HydrophobicContact CG2-CD 3.35Å; T9-Y28 HydrophobicContact CG2-CD1 4.31Å; T9-Y28 HydrophobicContact CG2-CD2 4.48Å; T9-Y28 HydrophobicContact CG2-CE1 4.24Å; T9-Y28 HydrophobicContact CG2-CE2 4.38Å; T9-Y28 HydrophobicContact CG2-CG 4.45Å
10L75.2Confident77.3Confident124 Ų124119.9 Ų119.965%0.64959%0.588SS**  trans-68.1136.6168.4-61.6170.3000108.7G12 H13 Y28L10-G12 PolarHBondContact O-N 2.76Å; L10-H13 PolarHBondContact O-N 3.03Å; L10-Y28 PolarHBondContact N-OH 2.76Å
11L66.5Low77.4Confident151 Ų151117.2 Ų117.279%0.79158%0.576SS**G310 helixtrans-51.8-31.8-169.7-138.874.5000113.7H13 L14L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 3.4Å; L11-L14 HydrophobicContact CD1-CD1 4.05Å; L11-L14 HydrophobicContact CG-CD1 4.07Å; L11-L14 WeakPolarHBondContact O-CD1 3.29Å; L11-L14 WeakPolarHBondContact O-CG 3.42Å
12G65.1Low76.7Confident76 Ų76107 Ų10778%0.78455%0.547SS*.G310 helixtrans-72.9-10.6-179.600000116.4L10L10-G12 PolarHBondContact O-N 2.76Å
13H66.4Low76Confident73 Ų73106.2 Ų106.234%0.33855%0.547SS..G310 helixtrans-109.910.2-179-65.3131.1000113.5L10 L11 M15 G16 K17 V24 Y28L10-H13 PolarHBondContact O-N 3.03Å; L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 3.4Å; H13-M15 PolarHBondContact O-N 3.08Å; H13-G16 PolarHBondContact O-N 3.07Å; H13-K17 WeakPolarHBondContact O-CB 3.05Å; H13-K17 PolarHBondContact O-N 2.99Å; H13-V24 HydrophobicContact CB-CG1 3.7Å; H13-Y28 HydrophobicContact CB-CE2 4Å; H13-Y28 WeakPolarHBondContact CB-OH 3.48Å; H13-Y28 PolarHBondContact ND1-OH 3.47Å
14L67.9Low75.2Confident78 Ų7897.6 Ų97.641%0.40852%0.517SS..Hα-helixtrans-60.8-44.1-179.2-77.7166.3000112.2L11 K17 A18L11-L14 HydrophobicContact CD1-CD1 4.05Å; L11-L14 HydrophobicContact CG-CD1 4.07Å; L11-L14 WeakPolarHBondContact O-CD1 3.29Å; L11-L14 WeakPolarHBondContact O-CG 3.42Å; L14-K17 PolarHBondContact O-N 2.99Å; L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 2.64Å
15M63.3Low74.5Confident144 Ų14495.3 Ų95.371%0.70951%0.511SS*.Hα-helixtrans-66.2-45.5179.4-66.4-65.3114.400111.8H13 K17 A18 L19H13-M15 PolarHBondContact O-N 3.08Å; M15-K17 VanDerWaalsContact C-N 3.34Å; M15-K17 PolarHBondContact O-N 2.92Å; M15-A18 PolarHBondContact O-N 3.03Å; M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 WeakPolarHBondContact O-CG 3.48Å; M15-L19 PolarHBondContact O-N 3.16Å
16G64.3Low74Confident14 Ų1498.8 Ų98.814%0.14452%0.515CS..Hα-helixtrans-65.3-33.5176.700000113.6H13 R20 D21H13-G16 PolarHBondContact O-N 3.07Å; G16-R20 PolarHBondContact O-N 3.2Å; G16-D21 WeakPolarHBondContact O-CB 3.46Å; G16-D21 PolarHBondContact O-N 2.91Å
17K65.9Low73.8Confident59 Ų5997.3 Ų97.326%0.25751%0.509SS..Hα-helixtrans-71-40.1173-171.3-179.8-177.5179.50112.2T7 T9 H13 L14 M15 L19 R20T7-K17 PolarHBondContact O-NZ 3.46Å; T7-K17 PolarHBondContact OG1-NZ 2.92Å; T9-K17 HydrophobicContact CG2-CD 3.35Å; H13-K17 WeakPolarHBondContact O-CB 3.05Å; H13-K17 PolarHBondContact O-N 2.99Å; L14-K17 PolarHBondContact O-N 2.99Å; M15-K17 VanDerWaalsContact C-N 3.34Å; M15-K17 PolarHBondContact O-N 2.92Å; K17-L19 VanDerWaalsContact C-N 3.33Å; K17-R20 PolarHBondContact O-N 3.37Å
18A72.4Confident73.8Confident80 Ų8098 Ų9866%0.66151%0.509SS*.Hα-helixtrans-64.6-38.6176.700000111.9L14 M15 R20L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 2.64Å; M15-A18 PolarHBondContact O-N 3.03Å; A18-R20 PolarHBondContact O-N 2.73Å
19L78.1Confident74Confident144 Ų14499.3 Ų99.375%0.75450%0.504SS*.THydrogen-bonded Turntrans-78.5-0.6175.5-69.5165.8000114M15 K17 D21M15-L19 WeakPolarHBondContact O-CB 3.4Å; M15-L19 WeakPolarHBondContact O-CG 3.48Å; M15-L19 PolarHBondContact O-N 3.16Å; K17-L19 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 3.24Å
20R75.1Confident74.5Confident212 Ų212103 Ų10380%0.852%0.516SS*.THydrogen-bonded Turntrans5534.6-176.4-58.7-179.8175.4-134.11.1113.8G16 K17 A18 P22G16-R20 PolarHBondContact O-N 3.2Å; K17-R20 PolarHBondContact O-N 3.37Å; A18-R20 PolarHBondContact O-N 2.73Å; R20-P22 WeakPolarHBondContact O-CD 3.14Å
21D79.6Confident75.2Confident63 Ų63102 Ų10234%0.33752%0.52SS..  trans-59121.6176.1-177.8-18.8000109.9G16 L19 T23 V24 T25G16-D21 WeakPolarHBondContact O-CB 3.46Å; G16-D21 PolarHBondContact O-N 2.91Å; L19-D21 PolarHBondContact O-N 3.24Å; D21-T23 PolarHBondContact O-N 3.26Å; D21-T23 VanDerWaalsContact OD1-CB 3.23Å; D21-T23 WeakPolarHBondContact OD1-CB 3.42Å; D21-T23 PolarHBondContact OD1-N 3.31Å; D21-T23 PolarHBondContact OD1-OG1 2.82Å; D21-V24 HydrophobicContact CB-CB 4.42Å; D21-V24 HydrophobicContact CB-CG2 4.34Å; D21-V24 PolarHBondContact O-N 3.11Å; D21-V24 VanDerWaalsContact O-N 3.14Å; D21-T25 WeakPolarHBondContact O-CG2 3.49Å; D21-T25 PolarHBondContact O-N 3.31Å; D21-T25 PolarHBondContact O-OG1 2.83Å
22P76.1Confident76.5Confident73 Ų7399 Ų9947%0.47450%0.503SS..Hα-helixtrans-61.9-22.9-179.222.8-31.7000113.3R20 V24 T25 R26R20-P22 WeakPolarHBondContact O-CD 3.14Å; P22-V24 VanDerWaalsContact C-N 3.32Å; P22-T25 WeakPolarHBondContact CA-OG1 3.45Å; P22-R26 WeakPolarHBondContact O-CB 3.44Å; P22-R26 VanDerWaalsContact O-CD 3.25Å; P22-R26 WeakPolarHBondContact O-CD 3.26Å; P22-R26 WeakPolarHBondContact O-CG 3.38Å; P22-R26 PolarHBondContact O-N 2.94Å
23T76.8Confident77.9Confident91 Ų91105.6 Ų105.656%0.55851%0.51SS*.Hα-helixtrans-72.2-28.3178.7-38.20000112.1D21 R27D21-T23 PolarHBondContact O-N 3.26Å; D21-T23 VanDerWaalsContact OD1-CB 3.23Å; D21-T23 WeakPolarHBondContact OD1-CB 3.42Å; D21-T23 PolarHBondContact OD1-N 3.31Å; D21-T23 PolarHBondContact OD1-OG1 2.82Å; T23-R27 PolarHBondContact O-NE 3.44Å
24V77.4Confident79.2Confident19 Ų19107.4 Ų107.412%0.11552%0.523CS..Hα-helixtrans-99.6-45-176.5176.90000111.2H13 D21 P22 R26 R27 Y28H13-V24 HydrophobicContact CB-CG1 3.7Å; D21-V24 HydrophobicContact CB-CB 4.42Å; D21-V24 HydrophobicContact CB-CG2 4.34Å; D21-V24 PolarHBondContact O-N 3.11Å; D21-V24 VanDerWaalsContact O-N 3.14Å; P22-V24 VanDerWaalsContact C-N 3.32Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 3.16Å; V24-R27 PolarHBondContact O-N 3.07Å; V24-Y28 HydrophobicContact CG1-CD2 4.25Å; V24-Y28 HydrophobicContact CG1-CE2 3.74Å; V24-Y28 VanDerWaalsContact O-CD2 3.24Å; V24-Y28 WeakPolarHBondContact O-CD2 3.46Å
25T75Confident80.2Confident56 Ų56108.4 Ų108.434%0.34453%0.527SS..Hα-helixtrans-66.8-31.7-176.451.50000112.9D21 P22 R27 Y28D21-T25 WeakPolarHBondContact O-CG2 3.49Å; D21-T25 PolarHBondContact O-N 3.31Å; D21-T25 PolarHBondContact O-OG1 2.83Å; P22-T25 WeakPolarHBondContact CA-OG1 3.45Å; T25-R27 PolarHBondContact O-N 3.32Å; T25-Y28 PolarHBondContact O-N 3.47Å
26R79.4Confident81.6Confident206 Ų206106.4 Ų106.478%0.77753%0.527SS*.THydrogen-bonded Turntrans-66.2-16.1175.7-72.4177.9-176.6-171.91.4114.5P22 V24P22-R26 WeakPolarHBondContact O-CB 3.44Å; P22-R26 VanDerWaalsContact O-CD 3.25Å; P22-R26 WeakPolarHBondContact O-CD 3.26Å; P22-R26 WeakPolarHBondContact O-CG 3.38Å; P22-R26 PolarHBondContact O-N 2.94Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 3.16Å
27R81.4Confident82.8Confident178 Ų178113 Ų11367%0.67256%0.558SS**THydrogen-bonded Turntrans-90.8-11.5179.4-61.9-176.6-174.9-157.1-1.4113.6T23 V24 T25T23-R27 PolarHBondContact O-NE 3.44Å; V24-R27 PolarHBondContact O-N 3.07Å; T25-R27 PolarHBondContact O-N 3.32Å
28Y83.6Confident83.9Confident44 Ų44114 Ų11417%0.17358%0.584CS.*  trans-108.388.1-177.2-67.9-65000110.8N8 T9 L10 H13 V24 T25N8-Y28 WeakPolarHBondContact O-CD1 3.47Å; N8-Y28 VanDerWaalsContact O-CE1 3.31Å; N8-Y28 WeakPolarHBondContact O-CE1 3.22Å; T9-Y28 HydrophobicContact CG2-CD1 4.31Å; T9-Y28 HydrophobicContact CG2-CD2 4.48Å; T9-Y28 HydrophobicContact CG2-CE1 4.24Å; T9-Y28 HydrophobicContact CG2-CE2 4.38Å; T9-Y28 HydrophobicContact CG2-CG 4.45Å; L10-Y28 PolarHBondContact N-OH 2.76Å; H13-Y28 HydrophobicContact CB-CE2 4Å; H13-Y28 WeakPolarHBondContact CB-OH 3.48Å; H13-Y28 PolarHBondContact ND1-OH 3.47Å; V24-Y28 HydrophobicContact CG1-CD2 4.25Å; V24-Y28 HydrophobicContact CG1-CE2 3.74Å; V24-Y28 VanDerWaalsContact O-CD2 3.24Å; V24-Y28 WeakPolarHBondContact O-CD2 3.46Å; T25-Y28 PolarHBondContact O-N 3.47Å
29Y85.6Confident84.6Confident172 Ų172114.1 Ų114.168%0.67559%0.594SS**  trans-129.3159.1176.955.7-87.8000110.7
30Y89.5Confident85.2Confident107 Ų107118.4 Ų118.442%0.4260%0.6SS.*  trans-88.2135.9167.7-61.8-74.1000108.7F4 R6 T7F4-Y30 HydrophobicContact CB-CD2 4.01Å; F4-Y30 HydrophobicContact CB-CE1 4.43Å; F4-Y30 HydrophobicContact CB-CE2 3.53Å; F4-Y30 AromaticContact CD1-CD1 3.67Å; F4-Y30 HydrophobicContact CD1-CD1 3.67Å; F4-Y30 HydrophobicContact CD1-CD2 4.08Å; F4-Y30 AromaticContact CD1-CE1 3.7Å; F4-Y30 HydrophobicContact CD1-CE1 3.7Å; F4-Y30 HydrophobicContact CD1-CE2 4.12Å; F4-Y30 AromaticContact CD1-CG 3.84Å; F4-Y30 HydrophobicContact CD1-CG 3.84Å; F4-Y30 AromaticContact CD1-CZ 3.89Å; F4-Y30 HydrophobicContact CE1-CD1 4.17Å; F4-Y30 HydrophobicContact CE1-CG 4.36Å; F4-Y30 HydrophobicContact CG-CD1 4.49Å; F4-Y30 HydrophobicContact CG-CD2 4.1Å; F4-Y30 HydrophobicContact CG-CE1 4.46Å; F4-Y30 HydrophobicContact CG-CE2 4.07Å; F4-Y30 HydrophobicContact CG-CG 4.29Å; R6-Y30 WeakPolarHBondContact CA-OH 3.42Å; R6-Y30 PolarHBondContact N-OH 2.92Å; R6-Y30 VanDerWaalsContact N-OH 3.16Å; R6-Y30 PolarHBondContact O-OH 3.44Å; T7-Y30 HydrophobicContact CG2-CD2 4.01Å; T7-Y30 HydrophobicContact CG2-CE1 4.16Å; T7-Y30 HydrophobicContact CG2-CE2 3.52Å; T7-Y30 PolarHBondContact N-OH 3.13Å; T7-Y30 VanDerWaalsContact N-OH 3.16Å
31S90.9Very high86Confident103 Ų103110.1 Ų110.172%0.7257%0.574SS**  trans-130.4117.8173.8-1760000108.1
32I93.3Very high86.7Confident87 Ų87111.7 Ų111.745%0.44659%0.586SS.*  trans-115.1119.7178-53.9166.4000106.2L2 F4 D34 I35L2-I32 HydrophobicContact CD1-CD1 4.24Å; F4-I32 HydrophobicContact CE1-CD1 4.27Å; F4-I32 HydrophobicContact CE2-CD1 4.06Å; F4-I32 HydrophobicContact CZ-CD1 3.44Å; F4-I32 VanDerWaalsContact CZ-CD1 3.44Å; F4-I32 HydrophobicContact CZ-CG1 4.41Å; I32-D34 WeakPolarHBondContact CG2-O 3.07Å; I32-I35 HydrophobicContact CD1-CD1 4.4Å; I32-I35 HydrophobicContact CG2-CD1 4.07Å; I32-I35 HydrophobicContact CG2-CG1 3.55Å
33K94.6Very high87.7Confident214 Ų214108.7 Ų108.793%0.9357%0.566SS**SBendtrans-81.1-39.3-178.8-175.1-179.4176.9-175.30111.8
34D93.8Very high88.7Confident112 Ų112107.7 Ų107.760%0.59956%0.555SS**  trans-154.2151.4-179.6180-108.5000110.4I32 S36I32-D34 WeakPolarHBondContact CG2-O 3.07Å; D34-S36 PolarHBondContact OD1-N 2.04Å; D34-S36 PolarHBondContact OD1-OG 2.79Å
35I88.9Confident89.6Confident98 Ų98109.2 Ų109.250%0.50357%0.574SS.*  trans-129.3103.9170-57.9170.2000108L2 I32 I37L2-I35 HydrophobicContact CD1-CD1 3.59Å; L2-I35 HydrophobicContact CD1-CG1 4.41Å; I32-I35 HydrophobicContact CD1-CD1 4.4Å; I32-I35 HydrophobicContact CG2-CD1 4.07Å; I32-I35 HydrophobicContact CG2-CG1 3.55Å; I35-I37 HydrophobicContact CG2-CD1 4.1Å; I35-I37 HydrophobicContact CG2-CG1 4Å
36S92.3Very high90.7Very high102 Ų102106.6 Ų106.671%0.71356%0.558SS**  trans-102.9120.3173.6-70.70000110.4D34D34-S36 PolarHBondContact OD1-N 2.04Å; D34-S36 PolarHBondContact OD1-OG 2.79Å
37I89.1Confident91.5Very high153 Ų15397.9 Ų97.979%0.78553%0.53SS*.  trans-118.8110.3177.4-58.6170.3000108.2I35I35-I37 HydrophobicContact CG2-CD1 4.1Å; I35-I37 HydrophobicContact CG2-CG1 4Å
38G88.5Confident92.1Very high79 Ų7995.9 Ų95.981%0.81453%0.533SS*.  trans-76.7145.4171.400000111.7
39G88.3Confident92.5Very high83 Ų8395.8 Ų95.886%0.85654%0.541SS*.  trans-164.4169.1176.600000111.6
40R89.8Confident92.8Very high235 Ų23589.2 Ų89.289%0.88752%0.52SS*.  trans-134.8156.6171.468.4177.1-176.6-129.51.3109.9
41C91.9Very high92.6Very high38 Ų3888.8 Ų88.826%0.25753%0.525SS..  trans-62.4146.2172.5-66.70000111.3C50C41-C50 HydrophobicContact CB-CB 3.61Å; C41-C50 WeakPolarHBondContact CB-SG 3.36Å; C41-C50 WeakPolarHBondContact SG-CB 3.48Å; C41-C50 CovalentContact SG-SG 2.03Å; C41-C50 PolarHBondContact SG-SG 3.34Å
42V95.5Very high92.1Very high96 Ų9686.8 Ų86.858%0.58251%0.514SS*.  trans-95.2104.6175.9-179.30000107.9C153 T163V42-C153 PolarHBondContact O-SG 2.84Å; V42-C153 VanDerWaalsContact O-SG 3.41Å; V42-T163 WeakPolarHBondContact O-CA 3.15Å; V42-T163 WeakPolarHBondContact O-CB 3.49Å; V42-T163 WeakPolarHBondContact O-CG2 3.33Å
43C96.9Very high91Very high10 Ų1085.2 Ų85.27%0.06850%0.504CS..  trans-12215-177.1-50.30000113.3G45 H46 A47 C153 T163C43-G45 PolarHBondContact O-N 3.15Å; C43-H46 PolarHBondContact O-N 3.46Å; C43-A47 HydrophobicContact CB-CB 3.66Å; C43-C153 WeakPolarHBondContact CA-SG 3.35Å; C43-C153 HydrophobicContact CB-CB 3.75Å; C43-C153 WeakPolarHBondContact CB-SG 3.5Å; C43-C153 WeakPolarHBondContact SG-CB 3.42Å; C43-C153 CovalentContact SG-SG 2.03Å; C43-C153 PolarHBondContact SG-SG 2.77Å; C43-T163 CarbonylContact C-O 3.52Å; C43-T163 VanDerWaalsContact CA-O 3.29Å; C43-T163 WeakPolarHBondContact CA-O 3.17Å
44H97.1Very high89.5Confident70 Ų7079 Ų7932%0.32448%0.481SS..THydrogen-bonded Turntrans5123.7-177.8-58.8-67.2000115.6H46 T163 W176 P178 A179H44-H46 VanDerWaalsContact C-N 3.33Å; H44-H46 PolarHBondContact O-CD2 2.67Å; H44-T163 PolarHBondContact CD2-O 2.99Å; H44-W176 HydrophobicContact CB-CH2 4.14Å; H44-W176 HydrophobicContact CB-CZ2 3.76Å; H44-W176 AromaticContact CD2-CZ2 3.89Å; H44-W176 AromaticContact CG-CH2 3.85Å; H44-W176 AromaticContact CG-CZ2 3.8Å; H44-P178 HydrophobicContact CB-CB 4.09Å; H44-A179 PolarHBondContact O-N 2.92Å
45G96.4Very high87.7Confident50 Ų5080 Ų8052%0.51549%0.494SS..THydrogen-bonded Turntrans78.710.9-177.400000114.9C43 A179C43-G45 PolarHBondContact O-N 3.15Å; G45-A179 VanDerWaalsContact O-CB 3.31Å; G45-A179 WeakPolarHBondContact O-CB 3.41Å
46H97.3Very high86.2Confident2 Ų280.7 Ų80.71%0.00950%0.503CS..SBendtrans-102.88176.2-54.9-78.9000113.6C43 H44 C155 Q156 H157 T159 C164 W176 K177 A179 A184C43-H46 PolarHBondContact O-N 3.46Å; H44-H46 VanDerWaalsContact C-N 3.33Å; H44-H46 PolarHBondContact O-CD2 2.67Å; H46-C155 CarbonylContact O-C 3.33Å; H46-Q156 WeakPolarHBondContact O-CB 3.43Å; H46-Q156 PolarHBondContact O-N 2.68Å; H46-H157 WeakPolarHBondContact ND1-CB 3.48Å; H46-H157 AromaticContact ND1-CG 3.74Å; H46-H157 AromaticContact ND1-ND1 3.26Å; H46-H157 PolarHBondContact ND1-ND1 2.87Å; H46-T159 HydrophobicContact CB-CG2 4.17Å; H46-T159 VanDerWaalsContact CB-OG1 3.25Å; H46-T159 WeakPolarHBondContact CB-OG1 3.17Å; H46-C164 HydrophobicContact CB-CB 3.76Å; H46-W176 AromaticContact NE2-NE1 3.9Å; H46-K177 PolarHBondContact CE1-O 3.3Å; H46-K177 PolarHBondContact NE2-O 3.34Å; H46-K177 VanDerWaalsContact NE2-O 3.1Å; H46-A179 PolarHBondContact NE2-N 3.49Å; H46-A184 PolarHBondContact CE1-O 3.14Å; H46-A184 VanDerWaalsContact CE1-O 3.27Å
47A96.6Very high84.3Confident22 Ų2278.8 Ų78.818%0.18249%0.485CS..  trans-147.9145.8169.400000110.3C43 C153 T154C43-A47 HydrophobicContact CB-CB 3.66Å; A47-C153 HydrophobicContact CB-CB 3.88Å; A47-T154 VanDerWaalsContact CB-O 3.26Å; A47-T154 WeakPolarHBondContact CB-O 3.47Å
48D93.6Very high82.6Confident137 Ų13776.5 Ų76.573%0.73348%0.48SS*.SBendtrans-99.3-20.6174.458.4-18.9000112.5Q156D48-Q156 PolarHBondContact OD1-NE2 2.98Å
49A92Very high80.7Confident42 Ų4279.2 Ų79.235%0.34747%0.47SS..  trans-127160.9177.200000113.1T154A49-T154 PolarHBondContact O-N 2.85Å; A49-T154 VanDerWaalsContact O-N 3.11Å; A49-T154 PolarHBondContact O-OG1 2.8Å; A49-T154 VanDerWaalsContact O-OG1 3.06Å
50C91.8Very high78.8Confident34 Ų3476.8 Ų76.823%0.2344%0.439CS..EExtended strand (participates in β ladder)trans-143.8129.8170.3540000110.2C41 L151 Q152C41-C50 HydrophobicContact CB-CB 3.61Å; C41-C50 WeakPolarHBondContact CB-SG 3.36Å; C41-C50 WeakPolarHBondContact SG-CB 3.48Å; C41-C50 CovalentContact SG-SG 2.03Å; C41-C50 PolarHBondContact SG-SG 3.34Å; C50-L151 HydrophobicContact CB-CB 4.38Å; C50-Q152 CarbonylContact C-O 3.5Å; C50-Q152 WeakPolarHBondContact CA-O 3.03Å; C50-Q152 WeakPolarHBondContact CB-O 3.2Å
51D85.8Confident76.6Confident97 Ų9769.4 Ų69.452%0.51942%0.424SS..EExtended strand (participates in β ladder)trans-113155.1-173.7-66.2-44.1000111.4K53 L151 Q152 T154D51-K53 PolarHBondContact O-N 3.15Å; D51-L151 WeakPolarHBondContact O-CA 3.2Å; D51-Q152 PolarHBondContact N-O 2.03Å; D51-Q152 PolarHBondContact O-N 2.96Å; D51-T154 VanDerWaalsContact OD2-CG2 3.31Å; D51-T154 WeakPolarHBondContact OD2-CG2 3.29Å
52A81.8Confident74.5Confident61 Ų6170.8 Ų70.850%0.50443%0.432SS..EExtended strand (participates in β ladder)trans-67.9109.1169.700000109.4V149A52-V149 HydrophobicContact CB-CG1 3.29Å
53K70.2Confident72Confident54 Ų5470 Ų7024%0.23543%0.425CS..  trans-87.6119.5168.7-77-158.7152178.60110.5D51 P55 S60 S61 R150 Q152D51-K53 PolarHBondContact O-N 3.15Å; K53-P55 WeakPolarHBondContact O-CD 3.43Å; K53-S60 WeakPolarHBondContact CD-O 3.28Å; K53-S60 WeakPolarHBondContact CE-O 3.18Å; K53-S60 PolarHBondContact NZ-O 3.46Å; K53-S61 VanDerWaalsContact NZ-C 3.31Å; K53-R150 PolarHBondContact N-O 3.47Å; K53-Q152 HydrophobicContact CD-CB 4.35Å; K53-Q152 HydrophobicContact CD-CG 4.48Å; K53-Q152 HydrophobicContact CG-CB 4.3Å
54D62Low69.6Low84 Ų8476.2 Ų76.245%0.44946%0.457SS..  trans-74.1120.9174.7-171.1-22.6000108.8T56 D57D54-T56 PolarHBondContact O-N 2.94Å; D54-T56 VanDerWaalsContact O-N 3.15Å; D54-T56 WeakPolarHBondContact OD1-CB 3.39Å; D54-T56 PolarHBondContact OD1-N 2.77Å; D54-T56 PolarHBondContact OD1-OG1 2.81Å; D54-T56 PolarHBondContact OD2-OG1 3.39Å; D54-D57 HydrophobicContact CB-CB 3.93Å; D54-D57 PolarHBondContact O-N 2.01Å; D54-D57 VanDerWaalsContact O-N 3.13Å
55P55.6Low67Low132 Ų13278.4 Ų78.486%0.85748%0.48SS*.THydrogen-bonded Turntrans-64.7-11.9176.226.9-34.2000113.7K53K53-P55 WeakPolarHBondContact O-CD 3.43Å
56T57.9Low64.5Low114 Ų11478.6 Ų78.670%0.69948%0.482SS*.THydrogen-bonded Turntrans-98.3-4.2176.168.10000113.8D54 P58D54-T56 PolarHBondContact O-N 2.94Å; D54-T56 VanDerWaalsContact O-N 3.15Å; D54-T56 WeakPolarHBondContact OD1-CB 3.39Å; D54-T56 PolarHBondContact OD1-N 2.77Å; D54-T56 PolarHBondContact OD1-OG1 2.81Å; D54-T56 PolarHBondContact OD2-OG1 3.39Å; T56-P58 WeakPolarHBondContact O-CD 3.17Å
57D52.8Low61.7Low62 Ų6287.1 Ų87.133%0.33252%0.521SS..  trans-92106.3175.4176.524.3000110.9D54 F59 S60D54-D57 HydrophobicContact CB-CB 3.93Å; D54-D57 PolarHBondContact O-N 2.01Å; D54-D57 VanDerWaalsContact O-N 3.13Å; D57-F59 PolarHBondContact O-N 3.11Å; D57-F59 VanDerWaalsContact O-N 3.09Å; D57-F59 WeakPolarHBondContact OD1-CB 3.05Å; D57-F59 WeakPolarHBondContact OD1-CD2 2.99Å; D57-F59 PolarHBondContact OD1-N 2.72Å; D57-S60 PolarHBondContact O-N 2.62Å; D57-S60 WeakPolarHBondContact OD2-CB 3.37Å; D57-S60 PolarHBondContact OD2-N 3.38Å; D57-S60 PolarHBondContact OD2-OG 2.83Å
58P52.2Low58.9Low105 Ų10592.8 Ų92.868%0.68255%0.548SS*.THydrogen-bonded Turntrans-65.8-9.617827-32.9000113.5T56T56-P58 WeakPolarHBondContact O-CD 3.17Å
59F49.4Very low56.6Low136 Ų13698.3 Ų98.360%0.59656%0.559SS**THydrogen-bonded Turntrans-96.2-5.7-180-57.6-73000114D57 S61 L71D57-F59 PolarHBondContact O-N 3.11Å; D57-F59 VanDerWaalsContact O-N 3.09Å; D57-F59 WeakPolarHBondContact OD1-CB 3.05Å; D57-F59 WeakPolarHBondContact OD1-CD2 2.99Å; D57-F59 PolarHBondContact OD1-N 2.72Å; F59-S61 PolarHBondContact O-N 3.43Å; F59-L71 HydrophobicContact CE1-CD1 3.86Å; F59-L71 HydrophobicContact CE1-CD2 3.78Å; F59-L71 HydrophobicContact CE1-CG 4.02Å; F59-L71 HydrophobicContact CZ-CD1 3.52Å; F59-L71 HydrophobicContact CZ-CD2 3.86Å; F59-L71 HydrophobicContact CZ-CG 4.11Å
60S49Very low54Low31 Ų31103 Ų10322%0.21757%0.574CS.*  trans-78.945.3177.6-80.50000112.8K53 D57K53-S60 WeakPolarHBondContact CD-O 3.28Å; K53-S60 WeakPolarHBondContact CE-O 3.18Å; K53-S60 PolarHBondContact NZ-O 3.46Å; D57-S60 PolarHBondContact O-N 2.62Å; D57-S60 WeakPolarHBondContact OD2-CB 3.37Å; D57-S60 PolarHBondContact OD2-N 3.38Å; D57-S60 PolarHBondContact OD2-OG 2.83Å
61S43.3Very low51.5Low81 Ų81106.9 Ų106.957%0.56659%0.592SS**  trans-102.5134.7170.1-80.80000111.8K53 F59 N63K53-S61 VanDerWaalsContact NZ-C 3.31Å; F59-S61 PolarHBondContact O-N 3.43Å; S61-N63 PolarHBondContact O-N 3.28Å
62P48.1Very low49.1Very low67 Ų67108 Ų10844%0.43560%0.604SS.*SBendtrans-80.68.1-175.331.9-32.3000114.4
63N42.7Very low46.9Very low78 Ų78110.1 Ų110.142%0.41761%0.614SS.*  trans-11330-164.4-134.8-8.8000114.9S61S61-N63 PolarHBondContact O-N 3.28Å
64L46Very low45.2Very low141 Ų141113.2 Ų113.274%0.73864%0.641SS**  trans-126.376.3169.9-84.692.6000110.4G66L64-G66 PolarHBondContact O-N 2.68Å
65S42.4Very low44Very low117 Ų117114.7 Ų114.782%0.81866%0.655SS**  trans-65.789.1151.728.30000108.4
66G43.8Very low43.3Very low53 Ų53112.9 Ų112.955%0.54665%0.646SS.*SBendtrans56.89315800000117.7L64L64-G66 PolarHBondContact O-N 2.68Å
67H38.8Very low42.4Very low181 Ų181113.5 Ų113.584%0.83865%0.652SS**SBendtrans-159.7122.4133-86.8-61.3000108.9
68N38.1Very low41.5Very low141 Ų141117.7 Ų117.775%0.75467%0.674SS**  trans50.991.5164.7-149.815.5000117.8Q70N68-Q70 PolarHBondContact O-N 3.03Å
69R44.9Very low41Very low253 Ų253120.5 Ų120.596%0.95568%0.683SS**  trans-73.477.8163.6-73.9-176175-159.8-1.4109.9
70Q37Very low40.1Very low142 Ų142122.8 Ų122.866%0.66470%0.695SS**  trans-134.3107.5162.4-153.577.231.200107.2N68N68-Q70 PolarHBondContact O-N 3.03Å
71L39.7Very low39.6Very low115 Ų115126.6 Ų126.660%0.60272%0.721SS**  trans-57.3142.2163.1-78.1152.2000108.1F59 C73F59-L71 HydrophobicContact CE1-CD1 3.86Å; F59-L71 HydrophobicContact CE1-CD2 3.78Å; F59-L71 HydrophobicContact CE1-CG 4.02Å; F59-L71 HydrophobicContact CZ-CD1 3.52Å; F59-L71 HydrophobicContact CZ-CD2 3.86Å; F59-L71 HydrophobicContact CZ-CG 4.11Å; L71-C73 PolarHBondContact O-N 2.94Å
72P34.7Very low39Very low119 Ų119128.2 Ų128.277%0.77373%0.733SS**  trans-63.7107.5166.626-29.3000107.4C74P72-C74 PolarHBondContact O-N 3.49Å
73C37Very low38.5Very low106 Ų106134 Ų13472%0.71675%0.754SS**PPolyproline II helixtrans-53.7131.6154.2-66.70000106.2L71 P75L71-C73 PolarHBondContact O-N 2.94Å; C73-P75 VanDerWaalsContact O-N 3.12Å
74C34.7Very low38.1Very low119 Ų119135.4 Ų135.480%0.80478%0.776SS**PPolyproline II helixtrans-49.9125.7165-70.60000106.6P72 S76P72-C74 PolarHBondContact O-N 3.49Å; C74-S76 PolarHBondContact O-N 2.84Å; C74-S76 VanDerWaalsContact O-N 3.14Å
75P35.5Very low37.3Very low115 Ų115132.1 Ų132.175%0.74778%0.777SS**PPolyproline II helixtrans-57.5127.4177.321-28.6000107.2C73C73-P75 VanDerWaalsContact O-N 3.12Å
76S41.4Very low36.9Very low95 Ų95133 Ų13366%0.66478%0.777SS**PPolyproline II helixtrans-46.2141.4160.8-660000107.7C74 D78C74-S76 PolarHBondContact O-N 2.84Å; C74-S76 VanDerWaalsContact O-N 3.14Å; S76-D78 PolarHBondContact O-N 2.96Å
77P39Very low36.3Very low126 Ų126140.5 Ų140.582%0.81880%0.795SS**  trans-60.3105.4171.223.9-30000107.9L79P77-L79 PolarHBondContact O-N 3.13Å; P77-L79 VanDerWaalsContact O-N 3.11Å
78D34.1Very low36Very low150 Ų150136.2 Ų136.280%0.80279%0.791SS**  trans-62112.9172.2-80-44.5000107.9S76 H80S76-D78 PolarHBondContact O-N 2.96Å; D78-H80 VanDerWaalsContact C-N 3.3Å; D78-H80 PolarHBondContact O-N 3.22Å
79L41.6Very low36Very low165 Ų165138.6 Ų138.686%0.86480%0.798SS**  trans-76.981176-152.294.4000108.6P77P77-L79 PolarHBondContact O-N 3.13Å; P77-L79 VanDerWaalsContact O-N 3.11Å
80H31.2Very low35.5Very low183 Ų183134.3 Ų134.385%0.84779%0.793SS**  trans-140.296.5159.6-89104.1000112.4D78D78-H80 VanDerWaalsContact C-N 3.3Å; D78-H80 PolarHBondContact O-N 3.22Å
81S37.1Very low36Very low111 Ų111131.7 Ų131.778%0.77681%0.805SS**  trans52.4110.8133.4-135.50000119.6
82S32Very low36.3Very low115 Ų115133 Ų13380%0.80481%0.812SS**  -170.2111.5123.1-82.30000112.8
83Q37.7Very low36.7Very low189 Ų189131.3 Ų131.388%0.88382%0.817SS**  trans36.4122.9140.5-61.1-178-2.500121.5
84A33.8Very low36.7Very low107 Ų107136.9 Ų136.988%0.88482%0.823SS**  139.8118.7113.300000112.5
85G29.5Very low36.7Very low73 Ų73138.6 Ų138.675%0.75383%0.829SS**  trans164.875.6172.400000116.7
86T34.2Very low36.6Very low134 Ų134136.3 Ų136.382%0.82283%0.827SS**  trans19.7128149.558.60000124.1
87K30.8Very low36.2Very low211 Ų211136.6 Ų136.692%0.91784%0.835SS**  trans59.3141.5146.5-71.7-176.3174.9-177.30118.1
88A31.6Very low36Very low92 Ų92134.5 Ų134.576%0.7683%0.828SS**  cis-152.9157.236.200000112.5
89Q38.4Very low36.1Very low191 Ų191135.4 Ų135.489%0.89383%0.833SS**  trans-82.1132.2168.8-83.8163.4-41.100110
90D34.9Very low35.8Very low162 Ų162132.2 Ų132.287%0.86682%0.821SS**  trans-127.3135.7153.8-82.6-40.8000109D92D90-D92 PolarHBondContact O-N 3.06Å
91G48.4Very low36Very low88 Ų88129.1 Ų129.191%0.90782%0.817SS**SBendtrans-90.458.1-16500000115.3
92D44.4Very low36.2Very low141 Ų141132.1 Ų132.175%0.75482%0.818SS**SBendtrans-148.5116.3167-148.2-27.1000109.6D90 R94D90-D92 PolarHBondContact O-N 3.06Å; D92-R94 VanDerWaalsContact C-N 3.3Å; D92-R94 PolarHBondContact O-N 3.27Å
93G44.1Very low36.7Very low85 Ų85134.8 Ų134.888%0.87682%0.822SS**  trans-69.469.5-166.100000115.2
94R35.8Very low36.9Very low222 Ų222131 Ų13184%0.83881%0.808SS**  trans-128.1121.4168.5-76.7178.7179.1161.21.1110.6D92 G96D92-R94 VanDerWaalsContact C-N 3.3Å; D92-R94 PolarHBondContact O-N 3.27Å; R94-G96 PolarHBondContact O-N 2.97Å
95V35.4Very low37.2Very low155 Ų155129.3 Ų129.394%0.93979%0.788SS**  trans-71.395.1170.6-177.20000108
96G32.3Very low37.8Very low68 Ų68130.6 Ų130.670%0.70178%0.784SS**  trans-79.7119.7164.100000109R94 A98R94-G96 PolarHBondContact O-N 2.97Å; G96-A98 PolarHBondContact O-N 3.39Å; G96-A98 VanDerWaalsContact O-N 3.08Å
97A34.5Very low38.3Very low100 Ų100129 Ų12983%0.82677%0.774SS**  trans-62.8110.3172.200000109.1N99A97-N99 PolarHBondContact O-N 2.91Å
98A34.5Very low38.9Very low82 Ų82122 Ų12268%0.67875%0.75SS**  trans-62.4129.116700000108.4G96 T100G96-A98 PolarHBondContact O-N 3.39Å; G96-A98 VanDerWaalsContact O-N 3.08Å; A98-T100 VanDerWaalsContact C-N 3.3Å; A98-T100 PolarHBondContact O-N 3.09Å
99N35.9Very low39.3Very low169 Ų169123.6 Ų123.690%0.90475%0.745SS**  trans-71.187.3174.5-140.36.5000108A97A97-N99 PolarHBondContact O-N 2.91Å
100T35.4Very low39.4Very low99 Ų99122 Ų12261%0.60774%0.743SS**  trans-75.3122.6168.238.30000108.6A98 H102A98-T100 VanDerWaalsContact C-N 3.3Å; A98-T100 PolarHBondContact O-N 3.09Å; T100-H102 PolarHBondContact O-N 3.18Å
101P35.7Very low39.7Very low117 Ų117118.7 Ų118.776%0.7673%0.732SS**  trans-67.5111.1172.427.8-29.8000107.2L103P101-L103 PolarHBondContact O-N 2.94Å; P101-L103 VanDerWaalsContact O-N 3.07Å
102H41.8Very low39.4Very low174 Ų174118 Ų11881%0.80672%0.724SS**  trans-59.1116.8168.2-83.9-84.4000107.5T100 L104T100-H102 PolarHBondContact O-N 3.18Å; H102-L104 PolarHBondContact O-N 3.36Å
103L41.7Very low39.2Very low171 Ų171115.5 Ų115.590%0.89572%0.723SS**  trans-54.7112.4168.5-82.499.9000107.9P101 C105P101-L103 PolarHBondContact O-N 2.94Å; P101-L103 VanDerWaalsContact O-N 3.07Å; L103-C105 PolarHBondContact O-N 2.99Å
104L42.8Very low38.9Very low110 Ų110116 Ų11658%0.57672%0.719SS**  trans-56.7134.1165.3-71.2165.8000108.2H102 L109H102-L104 PolarHBondContact O-N 3.36Å; L104-L109 HydrophobicContact CB-CD1 4.39Å; L104-L109 HydrophobicContact CB-CG 4.35Å; L104-L109 HydrophobicContact CD1-CG 4.48Å
105C38.2Very low39.3Very low71 Ų71115.1 Ų115.148%0.4872%0.724SS.*  trans-50.3135.8169.1-173.40000109.1L103 V107 C108L103-C105 PolarHBondContact O-N 2.99Å; C105-V107 PolarHBondContact O-N 3.39Å; C105-C108 PolarHBondContact O-N 3.42Å
106P44Very low39.3Very low101 Ų101111.1 Ų111.166%0.65672%0.715SS**Hα-helixtrans-57.9-16.8-178.415.5-26.7000113.9
107V44.1Very low39.3Very low101 Ų101114.7 Ų114.761%0.61272%0.723SS**Hα-helixtrans-70.8-31172.2-175.20000112.7C105 S111C105-V107 PolarHBondContact O-N 3.39Å; V107-S111 PolarHBondContact O-OG 2.99Å
108C42.7Very low39.3Very low63 Ų63114.3 Ų114.343%0.42672%0.72SS.*Hα-helixtrans-80.4-29.8-178.2-650000113.1C105 L110 S111C105-C108 PolarHBondContact O-N 3.42Å; C108-L110 VanDerWaalsContact C-N 3.32Å; C108-L110 PolarHBondContact O-N 2.84Å; C108-S111 PolarHBondContact O-N 3.48Å
109L40.5Very low39.2Very low125 Ų125119 Ų11965%0.65473%0.728SS**Hα-helixtrans-69.4-28.3178.3-84.3157.2000113L104 S111L104-L109 HydrophobicContact CB-CD1 4.39Å; L104-L109 HydrophobicContact CB-CG 4.35Å; L104-L109 HydrophobicContact CD1-CG 4.48Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.48Å
110L40.8Very low39.3Very low159 Ų159119.3 Ų119.383%0.83272%0.724SS**THydrogen-bonded Turntrans-77.9-11.9177.3-72.6161.1000113.4C108C108-L110 VanDerWaalsContact C-N 3.32Å; C108-L110 PolarHBondContact O-N 2.84Å
111S41.7Very low39.3Very low92 Ų92120 Ų12064%0.64373%0.73SS**THydrogen-bonded Turntrans-104.72.1-172.5-57.50000114.7V107 C108 L109 A113V107-S111 PolarHBondContact O-OG 2.99Å; C108-S111 PolarHBondContact O-N 3.48Å; L109-S111 VanDerWaalsContact C-N 3.28Å; L109-S111 PolarHBondContact O-N 3.48Å; S111-A113 PolarHBondContact O-N 3.31Å
112G41Very low39.3Very low72 Ų72119.9 Ų119.974%0.74273%0.729SS**THydrogen-bonded Turntrans58.638.7173.300000115.2A114G112-A114 PolarHBondContact O-N 3.41Å
113A39.8Very low38.9Very low89 Ų89118.2 Ų118.274%0.73673%0.734SS**  trans-74.5110.1178.100000110.9S111S111-A113 PolarHBondContact O-N 3.31Å
114A38.3Very low39Very low95 Ų95113.6 Ų113.679%0.78573%0.728SS**  trans-72.7147.2170.100000111.1G112 G116G112-A114 PolarHBondContact O-N 3.41Å; A114-G116 PolarHBondContact O-N 3.47Å
115E43.8Very low38.7Very low204 Ų204113.6 Ų113.695%0.95374%0.737SS**  trans-48.6120.2179.9-65.6168.3134.200112
116G36.1Very low38.6Very low72 Ų72116.1 Ų116.174%0.74275%0.752SS**  trans-118.2128.2172.300000110A114A114-G116 PolarHBondContact O-N 3.47Å
117T33Very low38.4Very low143 Ų143116.5 Ų116.588%0.87776%0.757SS**  trans-68.1125.7178.847.40000111.2
118A34.5Very low38.2Very low92 Ų92119.9 Ų119.976%0.7677%0.767SS**  trans-82.3115.1175.400000111
119E31.5Very low37.8Very low180 Ų180124.2 Ų124.284%0.84179%0.785SS**PPolyproline II helixtrans-89.4135.8165-70-167.2122.600110.4
120H37.1Very low38.1Very low176 Ų176121.6 Ų121.682%0.81579%0.789SS**PPolyproline II helixtrans-80.9142.8177.2-77.352.7000111
121P35.9Very low38.2Very low113 Ų113122.6 Ų122.673%0.73479%0.789SS**PPolyproline II helixtrans-77.4156.8171.632.1-31.8000111.6
122P35.4Very low37.9Very low115 Ų115126.5 Ų126.575%0.74780%0.797SS**PPolyproline II helixtrans-71156-178.228.6-34.1000113
123P34.1Very low37.7Very low138 Ų138128.7 Ų128.790%0.89680%0.798SS**SBendtrans-78.3126.5-174.630.5-31.8000111.6
124G44.3Very low37.7Very low75 Ų75136 Ų13677%0.77381%0.807SS**  trans150.58.2168.100000119.7
125S36.6Very low37.8Very low110 Ų110136 Ų13677%0.76980%0.8SS**PPolyproline II helixtrans-82.8134.5177.551.30000112.7S127S125-S127 PolarHBondContact O-N 3.36Å
126P35.8Very low37.4Very low124 Ų124138 Ų13881%0.80580%0.799SS**PPolyproline II helixtrans-71.5128.5179.3-721.8000111.6
127S39Very low37.6Very low109 Ų109142.2 Ų142.276%0.76280%0.799SS**PPolyproline II helixtrans-86.1116.2168.51580000109.1S125S125-S127 PolarHBondContact O-N 3.36Å
128Q40.4Very low37.9Very low172 Ų172145.9 Ų145.980%0.80480%0.797SS**  trans-128.1127.6154.7-71.8-169.730.200109.3
129D34.6Very low38.1Very low153 Ų153150.1 Ų150.182%0.81880%0.801SS**SBendtrans68.388.4172.3-57.9-22.7000116.9Q131D129-Q131 PolarHBondContact O-N 3.18Å; D129-Q131 VanDerWaalsContact O-N 3.17Å
130G45.7Very low38.4Very low71 Ų71147.1 Ų147.173%0.73279%0.789SS**  trans-63.1109.4170.900000112.5
131Q44.2Very low38.6Very low179 Ų179144.5 Ų144.584%0.83679%0.788SS**  trans-178.589.5137.1-105159.945.200109D129D129-Q131 PolarHBondContact O-N 3.18Å; D129-Q131 VanDerWaalsContact O-N 3.17Å
132Q34.8Very low38.9Very low175 Ų175141.3 Ų141.382%0.81878%0.776SS**  trans-173.9121.4155.8-103.3155.87600109.2
133P36.8Very low39.3Very low117 Ų117142 Ų14276%0.7678%0.78SS**  trans-72.4132.9165.727.8-27.7000109.5C135P133-C135 PolarHBondContact O-N 3.09Å
134W39.2Very low39.7Very low243 Ų243144.1 Ų144.192%0.9278%0.777SS**  trans-63.9115.8178.7-49.582.7000110.6
135C41.7Very low39.9Very low94 Ų94145.6 Ų145.664%0.63577%0.773SS**  trans-88.6114.6173.2-67.60000110.2P133 H137P133-C135 PolarHBondContact O-N 3.09Å; C135-H137 PolarHBondContact O-N 3.06Å; C135-H137 PolarHBondContact O-ND1 2.89Å
136W34.7Very low40.6Very low246 Ų246149.6 Ų149.693%0.93278%0.78SS**  trans-65.7102.8168.1-68.684.3000109.6R138W136-R138 PolarHBondContact O-N 2.88Å
137H40.7Very low41.4Very low162 Ų162147.3 Ų147.375%0.7577%0.767SS**  trans-87.1109.2169-70.173.1000108.3C135 H139C135-H137 PolarHBondContact O-N 3.06Å; C135-H137 PolarHBondContact O-ND1 2.89Å; H137-H139 PolarHBondContact O-N 2.97Å; H137-H139 VanDerWaalsContact O-N 3.17Å
138R38Very low42.5Very low219 Ų219147.5 Ų147.583%0.82677%0.768SS**  trans-64.7112.6164.1-171.9169.1175174.6-3.5107.1W136 I140W136-R138 PolarHBondContact O-N 2.88Å; R138-I140 HydrophobicContact CB-CG1 4.36Å; R138-I140 HydrophobicContact CG-CG1 3.8Å; R138-I140 PolarHBondContact O-N 2.77Å
139H39.4Very low43.7Very low182 Ų182143 Ų14384%0.84375%0.753SS**  trans-6786.6164.6-118.2-79.7000107.3H137 P141H137-H139 PolarHBondContact O-N 2.97Å; H137-H139 VanDerWaalsContact O-N 3.17Å; H139-P141 WeakPolarHBondContact O-CD 3.12Å
140I38.8Very low45.8Very low116 Ų116144.6 Ų144.660%0.59575%0.747SS**  trans-77.7118.8162.8-58.8-169.2000105R138 G142R138-I140 HydrophobicContact CB-CG1 4.36Å; R138-I140 HydrophobicContact CG-CG1 3.8Å; R138-I140 PolarHBondContact O-N 2.77Å; I140-G142 PolarHBondContact O-N 3.22Å
141P39.9Very low47.7Very low122 Ų122145.8 Ų145.879%0.79274%0.736SS**  trans-66.289.2166.526.9-29.8000106.9H139H139-P141 WeakPolarHBondContact O-CD 3.12Å
142G41.9Very low49.9Very low46 Ų46139.5 Ų139.547%0.47471%0.707SS.*  trans-60.7153.1169.700000109.3I140 H144I140-G142 PolarHBondContact O-N 3.22Å; G142-H144 PolarHBondContact O-N 2.99Å
143P45.3Very low52.7Low128 Ų128131.5 Ų131.583%0.83167%0.67SS**  trans-53.9135.717226.1-31.9000107.8P145P143-P145 VanDerWaalsContact O-N 3.15Å
144H41.7Very low55.4Low183 Ų183128.3 Ų128.385%0.84765%0.649SS**  trans-38.7125.2177.9-81.4-84.8000109.8G142 E146G142-H144 PolarHBondContact O-N 2.99Å; H144-E146 PolarHBondContact O-N 3.23Å
145P47.9Very low58.1Low106 Ų106118.3 Ų118.369%0.68862%0.616SS**  trans-68.294.3170.729.4-30.4000104.9P143 S147P143-P145 VanDerWaalsContact O-N 3.15Å; P145-S147 PolarHBondContact O-N 3.39Å
146E51.3Low60.6Low194 Ų194118.3 Ų118.391%0.90761%0.606SS**  trans-6972.5145.5-164.5125.6-156.500105H144 S148H144-E146 PolarHBondContact O-N 3.23Å; E146-S148 PolarHBondContact O-N 3.16Å
147S54.4Low63.6Low77 Ų77109.1 Ų109.154%0.53857%0.573SS.*  trans-63.9103.6179.346.90000105.5P145 V149P145-S147 PolarHBondContact O-N 3.39Å; S147-V149 PolarHBondContact O-N 2.7Å; S147-V149 WeakPolarHBondContact OG-CG2 2.96Å
148S61.2Low66.3Low113 Ų113104.3 Ų104.379%0.7955%0.553SS**  trans-64.279.5147.657.80000106.1E146 R150E146-S148 PolarHBondContact O-N 3.16Å; S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.05Å
149V66.2Low69.1Low78 Ų7894.1 Ų94.147%0.47352%0.515SS..  trans-57.897.3171.7175.20000105.7A52 S147 L151A52-V149 HydrophobicContact CB-CG1 3.29Å; S147-V149 PolarHBondContact O-N 2.7Å; S147-V149 WeakPolarHBondContact OG-CG2 2.96Å; V149-L151 HydrophobicContact CG1-CD2 4.21Å; V149-L151 PolarHBondContact O-N 3.17Å
150R77.1Confident71.7Confident185 Ų18585.8 Ų85.870%0.69848%0.478SS*.  trans-82.5107176.7-173.6174.2179.4170.9-0.6106.7K53 S148 Q152K53-R150 PolarHBondContact N-O 3.47Å; S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.05Å; R150-Q152 PolarHBondContact O-N 3.07Å
151L85.6Confident74.3Confident96 Ų9680.4 Ų80.450%0.50345%0.451SS..EExtended strand (participates in β ladder)trans-67.2129172.1-62.5173.6000108.9C50 D51 V149C50-L151 HydrophobicContact CB-CB 4.38Å; D51-L151 WeakPolarHBondContact O-CA 3.2Å; V149-L151 HydrophobicContact CG1-CD2 4.21Å; V149-L151 PolarHBondContact O-N 3.17Å
152Q90.6Very high76.7Confident47 Ų4775.5 Ų75.522%0.2242%0.422CS..EExtended strand (participates in β ladder)trans-122.3136.5177.3-178.5150.915.400109.7C50 D51 K53 R150 G161 G162C50-Q152 CarbonylContact C-O 3.5Å; C50-Q152 WeakPolarHBondContact CA-O 3.03Å; C50-Q152 WeakPolarHBondContact CB-O 3.2Å; D51-Q152 PolarHBondContact N-O 2.03Å; D51-Q152 PolarHBondContact O-N 2.96Å; K53-Q152 HydrophobicContact CD-CB 4.35Å; K53-Q152 HydrophobicContact CD-CG 4.48Å; K53-Q152 HydrophobicContact CG-CB 4.3Å; R150-Q152 PolarHBondContact O-N 3.07Å; Q152-G161 VanDerWaalsContact NE2-C 3.34Å; Q152-G161 PolarHBondContact NE2-O 3.27Å; Q152-G162 VanDerWaalsContact NE2-CA 3.26Å
153C94.3Very high79.2Confident8 Ų875.7 Ų75.75%0.05441%0.414CS..EExtended strand (participates in β ladder)trans-64.1139.2179.7-61.10000111.4V42 C43 A47 C155 G162 C164V42-C153 PolarHBondContact O-SG 2.84Å; V42-C153 VanDerWaalsContact O-SG 3.41Å; C43-C153 WeakPolarHBondContact CA-SG 3.35Å; C43-C153 HydrophobicContact CB-CB 3.75Å; C43-C153 WeakPolarHBondContact CB-SG 3.5Å; C43-C153 WeakPolarHBondContact SG-CB 3.42Å; C43-C153 CovalentContact SG-SG 2.03Å; C43-C153 PolarHBondContact SG-SG 2.77Å; A47-C153 HydrophobicContact CB-CB 3.88Å; C153-C155 VanDerWaalsContact C-N 3.3Å; C153-C155 PolarHBondContact O-N 3.22Å; C153-C155 VanDerWaalsContact O-N 3.12Å; C153-G162 PolarHBondContact N-O 3.32Å; C153-G162 VanDerWaalsContact N-O 3.11Å; C153-C164 WeakPolarHBondContact CB-SG 3.22Å
154T93.6Very high81.6Confident50 Ų5069.6 Ų69.631%0.30738%0.375SS..  trans-83.677.7168.353.90000109A47 A49 D51A47-T154 VanDerWaalsContact CB-O 3.26Å; A47-T154 WeakPolarHBondContact CB-O 3.47Å; A49-T154 PolarHBondContact O-N 2.85Å; A49-T154 VanDerWaalsContact O-N 3.11Å; A49-T154 PolarHBondContact O-OG1 2.8Å; A49-T154 VanDerWaalsContact O-OG1 3.06Å; D51-T154 VanDerWaalsContact OD2-CG2 3.31Å; D51-T154 WeakPolarHBondContact OD2-CG2 3.29Å
155C95.2Very high84.2Confident33 Ų3364.3 Ų64.322%0.22335%0.353CS..  trans-62138.9-170.7-59.60000113.4H46 C153 T159 C164H46-C155 CarbonylContact O-C 3.33Å; C153-C155 VanDerWaalsContact C-N 3.3Å; C153-C155 PolarHBondContact O-N 3.22Å; C153-C155 VanDerWaalsContact O-N 3.12Å; C155-T159 WeakPolarHBondContact CB-O 3.47Å; C155-C164 WeakPolarHBondContact CA-SG 3.35Å; C155-C164 HydrophobicContact CB-CB 3.95Å; C155-C164 WeakPolarHBondContact CB-SG 3.46Å; C155-C164 WeakPolarHBondContact SG-CA 3.3Å; C155-C164 WeakPolarHBondContact SG-CB 3.46Å; C155-C164 PolarHBondContact SG-N 2.04Å; C155-C164 VanDerWaalsContact SG-N 3.43Å; C155-C164 CovalentContact SG-SG 2.04Å; C155-C164 PolarHBondContact SG-SG 2.82Å
156Q95.8Very high86.5Confident93 Ų9365.8 Ų65.844%0.43535%0.345SS..  trans-118-168.2173.9-54.2-174.620.100109.2H46 D48 N158 T159H46-Q156 WeakPolarHBondContact O-CB 3.43Å; H46-Q156 PolarHBondContact O-N 2.68Å; D48-Q156 PolarHBondContact OD1-NE2 2.98Å; Q156-N158 PolarHBondContact O-N 3.13Å; Q156-T159 PolarHBondContact O-N 3.15Å; Q156-T159 PolarHBondContact O-OG1 3.28Å
157H96.8Very high88.8Confident53 Ų5357.1 Ų57.125%0.24531%0.305CS..THydrogen-bonded Turntrans56.229.9174.6-57154.8000113.4H46 T159 E186 C187H46-H157 WeakPolarHBondContact ND1-CB 3.48Å; H46-H157 AromaticContact ND1-CG 3.74Å; H46-H157 AromaticContact ND1-ND1 3.26Å; H46-H157 PolarHBondContact ND1-ND1 2.87Å; H157-T159 PolarHBondContact O-N 3.25Å; H157-T159 VanDerWaalsContact O-N 3.16Å; H157-E186 HydrophobicContact CB-CB 3.62Å; H157-E186 WeakPolarHBondContact O-CA 3.36Å; H157-C187 PolarHBondContact O-N 2.93Å
158N97.3Very high90.8Very high62 Ų6254 Ų5433%0.33228%0.284SS..THydrogen-bonded Turntrans54.130-175.7-51.4-43.3000114.1Q156 C168 F171 C187Q156-N158 PolarHBondContact O-N 3.13Å; N158-C168 VanDerWaalsContact C-SG 3.57Å; N158-C168 PolarHBondContact O-N 3.5Å; N158-C168 PolarHBondContact O-SG 2.93Å; N158-C168 VanDerWaalsContact O-SG 3.37Å; N158-F171 HydrophobicContact CB-CB 4.14Å; N158-F171 HydrophobicContact CB-CD1 3.48Å; N158-F171 VanDerWaalsContact CB-CD1 3.48Å; N158-F171 HydrophobicContact CB-CD2 4.13Å; N158-F171 HydrophobicContact CB-CE1 3.8Å; N158-F171 HydrophobicContact CB-CE2 4.41Å; N158-F171 HydrophobicContact CB-CG 3.66Å; N158-F171 HydrophobicContact CB-CZ 4.26Å; N158-F171 WeakPolarHBondContact ND2-CE1 3.38Å; N158-C187 HydrophobicContact CB-CB 3.96Å; N158-C187 PolarHBondContact ND2-O 2.8Å; N158-C187 VanDerWaalsContact ND2-O 3.09Å; N158-C187 WeakPolarHBondContact O-CB 3.25Å
159T96.7Very high92.5Very high4 Ų451.5 Ų51.53%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-96.7149.2172.861.60000110.7H46 C155 Q156 H157 C164 R166 C168H46-T159 HydrophobicContact CB-CG2 4.17Å; H46-T159 VanDerWaalsContact CB-OG1 3.25Å; H46-T159 WeakPolarHBondContact CB-OG1 3.17Å; C155-T159 WeakPolarHBondContact CB-O 3.47Å; Q156-T159 PolarHBondContact O-N 3.15Å; Q156-T159 PolarHBondContact O-OG1 3.28Å; H157-T159 PolarHBondContact O-N 3.25Å; H157-T159 VanDerWaalsContact O-N 3.16Å; T159-C164 WeakPolarHBondContact OG1-CB 3.49Å; T159-R166 CarbonylContact C-O 2.92Å; T159-R166 VanDerWaalsContact CA-O 3.29Å; T159-R166 WeakPolarHBondContact CA-O 3.42Å; T159-R166 WeakPolarHBondContact CB-O 3.27Å; T159-C168 PolarHBondContact O-SG 3.06Å
160C95.3Very high94Very high8 Ų848.2 Ų48.25%0.05425%0.246CC..EExtended strand (participates in β ladder)trans-132.8162-176.7-85.40000109.8R166 C168C160-R166 PolarHBondContact N-O 3.47Å; C160-R166 WeakPolarHBondContact O-CG 3.22Å; C160-R166 PolarHBondContact O-N 2.96Å; C160-C168 HydrophobicContact CB-CB 4.01Å; C160-C168 WeakPolarHBondContact CB-SG 3.34Å; C160-C168 PolarHBondContact N-SG 3.09Å; C160-C168 VanDerWaalsContact SG-CA 3.52Å; C160-C168 WeakPolarHBondContact SG-CB 3.31Å; C160-C168 CovalentContact SG-SG 2.04Å; C160-C168 PolarHBondContact SG-SG 2.66Å
161G92.1Very high95Very high3 Ų341.9 Ų41.93%0.03122%0.224CC..SBendtrans120.6-174.3177.200000113.9Q152 T163Q152-G161 VanDerWaalsContact NE2-C 3.34Å; Q152-G161 PolarHBondContact NE2-O 3.27Å; G161-T163 VanDerWaalsContact C-N 3.27Å
162G89.9Confident95.6Very high19 Ų1939 Ų3920%0.19621%0.209CC..SBendtrans-66.7-34175.500000112.9Q152 C153Q152-G162 VanDerWaalsContact NE2-CA 3.26Å; C153-G162 PolarHBondContact N-O 3.32Å; C153-G162 VanDerWaalsContact N-O 3.11Å
163T94.6Very high96Very high49 Ų4936.7 Ų36.730%0.30120%0.198SC..SBendtrans-134.112.8-166.351.10000111.5V42 C43 H44 G161 D165V42-T163 WeakPolarHBondContact O-CA 3.15Å; V42-T163 WeakPolarHBondContact O-CB 3.49Å; V42-T163 WeakPolarHBondContact O-CG2 3.33Å; C43-T163 CarbonylContact C-O 3.52Å; C43-T163 VanDerWaalsContact CA-O 3.29Å; C43-T163 WeakPolarHBondContact CA-O 3.17Å; H44-T163 PolarHBondContact CD2-O 2.99Å; G161-T163 VanDerWaalsContact C-N 3.27Å; T163-D165 VanDerWaalsContact C-N 3.32Å; T163-D165 PolarHBondContact O-N 2.92Å
164C96.4Very high96.1Very high0 Ų038.7 Ų38.70%021%0.207CC..SBendtrans60.440.9-177.2-41.70000112.8H46 C153 C155 T159 W176H46-C164 HydrophobicContact CB-CB 3.76Å; C153-C164 WeakPolarHBondContact CB-SG 3.22Å; C155-C164 WeakPolarHBondContact CA-SG 3.35Å; C155-C164 HydrophobicContact CB-CB 3.95Å; C155-C164 WeakPolarHBondContact CB-SG 3.46Å; C155-C164 WeakPolarHBondContact SG-CA 3.3Å; C155-C164 WeakPolarHBondContact SG-CB 3.46Å; C155-C164 PolarHBondContact SG-N 2.04Å; C155-C164 VanDerWaalsContact SG-N 3.43Å; C155-C164 CovalentContact SG-SG 2.04Å; C155-C164 PolarHBondContact SG-SG 2.82Å; T159-C164 WeakPolarHBondContact OG1-CB 3.49Å; C164-W176 WeakPolarHBondContact O-CZ2 3.02Å; C164-W176 PolarHBondContact O-NE1 2.98Å
165D96.9Very high96.3Very high73 Ų7338.5 Ų38.539%0.3921%0.206SC..  trans-91.43.1-172.161.2-25000114T163T163-D165 VanDerWaalsContact C-N 3.32Å; T163-D165 PolarHBondContact O-N 2.92Å
166R96.3Very high96.5Very high137 Ų13740.7 Ų40.752%0.51721%0.21SC..EExtended strand (participates in β ladder)trans-152162.4178.558.6179.4177.8-89.511.7111.1T159 C160T159-R166 CarbonylContact C-O 2.92Å; T159-R166 VanDerWaalsContact CA-O 3.29Å; T159-R166 WeakPolarHBondContact CA-O 3.42Å; T159-R166 WeakPolarHBondContact CB-O 3.27Å; C160-R166 PolarHBondContact N-O 3.47Å; C160-R166 WeakPolarHBondContact O-CG 3.22Å; C160-R166 PolarHBondContact O-N 2.96Å
167C98.3Very high96.6Very high11 Ų1141.6 Ų41.67%0.07421%0.212CC..EExtended strand (participates in β ladder)trans-73.2151.9168.6-63.40000111.3F171 N172 C187C167-F171 HydrophobicContact CB-CB 4.39Å; C167-F171 VanDerWaalsContact CB-O 3.27Å; C167-F171 WeakPolarHBondContact CB-O 3.44Å; C167-F171 PolarHBondContact SG-O 3.17Å; C167-N172 WeakPolarHBondContact CB-OD1 3.36Å; C167-C187 WeakPolarHBondContact CA-SG 3.48Å; C167-C187 HydrophobicContact CB-CB 3.55Å; C167-C187 WeakPolarHBondContact CB-SG 3.29Å; C167-C187 WeakPolarHBondContact SG-CB 3.18Å; C167-C187 CovalentContact SG-SG 2.03Å; C167-C187 PolarHBondContact SG-SG 3.48Å
168C97.5Very high96.6Very high13 Ų1341.9 Ų41.99%0.08822%0.219CC..PPolyproline II helixtrans-70158.1171.8-63.90000111.3N158 T159 C160 G170 F171N158-C168 VanDerWaalsContact C-SG 3.57Å; N158-C168 PolarHBondContact O-N 3.5Å; N158-C168 PolarHBondContact O-SG 2.93Å; N158-C168 VanDerWaalsContact O-SG 3.37Å; T159-C168 PolarHBondContact O-SG 3.06Å; C160-C168 HydrophobicContact CB-CB 4.01Å; C160-C168 WeakPolarHBondContact CB-SG 3.34Å; C160-C168 PolarHBondContact N-SG 3.09Å; C160-C168 VanDerWaalsContact SG-CA 3.52Å; C160-C168 WeakPolarHBondContact SG-CB 3.31Å; C160-C168 CovalentContact SG-SG 2.04Å; C160-C168 PolarHBondContact SG-SG 2.66Å; C168-G170 PolarHBondContact O-N 3.25Å; C168-F171 HydrophobicContact CB-CD2 3.88Å; C168-F171 HydrophobicContact CB-CE2 4.49Å; C168-F171 PolarHBondContact O-N 3.37Å
169P96.8Very high96.6Very high60 Ų6040.1 Ų40.139%0.3921%0.213SC..THydrogen-bonded Turntrans-49.1134171.5-2937.6000111.9F171 D198P169-F171 VanDerWaalsContact C-N 3.29Å; P169-F171 VanDerWaalsContact O-CD2 3.3Å; P169-F171 WeakPolarHBondContact O-CD2 3.31Å; P169-F171 PolarHBondContact O-N 2.72Å; P169-D198 WeakPolarHBondContact CA-OD1 3.45Å; P169-D198 HydrophobicContact CB-CB 4.42Å; P169-D198 WeakPolarHBondContact CB-OD1 3.49Å
170G97Very high96.6Very high9 Ų943.8 Ų43.89%0.09324%0.235CC..THydrogen-bonded Turntrans81.8-8.1-176.300000115.5C168 S189 C190 D198 C199C168-G170 PolarHBondContact O-N 3.25Å; G170-S189 CarbonylContact O-C 3.25Å; G170-S189 WeakPolarHBondContact O-CA 3.2Å; G170-C190 PolarHBondContact O-N 2.03Å; G170-D198 PolarHBondContact N-OD1 3.09Å; G170-C199 VanDerWaalsContact C-SG 3.54Å; G170-C199 PolarHBondContact O-SG 3.05Å
171F98.3Very high96.6Very high52 Ų5248.4 Ų48.423%0.22827%0.274CS..  trans-106.841-177.9-64-93.3000114N158 C167 C168 P169 C187 Q188N158-F171 HydrophobicContact CB-CB 4.14Å; N158-F171 HydrophobicContact CB-CD1 3.48Å; N158-F171 VanDerWaalsContact CB-CD1 3.48Å; N158-F171 HydrophobicContact CB-CD2 4.13Å; N158-F171 HydrophobicContact CB-CE1 3.8Å; N158-F171 HydrophobicContact CB-CE2 4.41Å; N158-F171 HydrophobicContact CB-CG 3.66Å; N158-F171 HydrophobicContact CB-CZ 4.26Å; N158-F171 WeakPolarHBondContact ND2-CE1 3.38Å; C167-F171 HydrophobicContact CB-CB 4.39Å; C167-F171 VanDerWaalsContact CB-O 3.27Å; C167-F171 WeakPolarHBondContact CB-O 3.44Å; C167-F171 PolarHBondContact SG-O 3.17Å; C168-F171 HydrophobicContact CB-CD2 3.88Å; C168-F171 HydrophobicContact CB-CE2 4.49Å; C168-F171 PolarHBondContact O-N 3.37Å; P169-F171 VanDerWaalsContact C-N 3.29Å; P169-F171 VanDerWaalsContact O-CD2 3.3Å; P169-F171 WeakPolarHBondContact O-CD2 3.31Å; P169-F171 PolarHBondContact O-N 2.72Å; F171-C187 HydrophobicContact CB-CB 3.73Å; F171-C187 WeakPolarHBondContact O-CB 3.27Å; F171-Q188 CarbonylContact C-O 3.59Å; F171-Q188 WeakPolarHBondContact CA-O 3.19Å
172N98.3Very high96.8Very high34 Ų3455.8 Ų55.818%0.18231%0.313CS..  trans-109.929.9-175.6-61.3-73.2000113.6C167 Q174 Q188 C199 Y201 G222C167-N172 WeakPolarHBondContact CB-OD1 3.36Å; N172-Q174 PolarHBondContact O-N 2.82Å; N172-Q188 PolarHBondContact N-O 3.31Å; N172-C199 PolarHBondContact ND2-O 3.34Å; N172-Y201 WeakPolarHBondContact O-CA 3.2Å; N172-Y201 WeakPolarHBondContact O-CB 3.42Å; N172-G222 WeakPolarHBondContact O-CA 3.41Å
173Q98.3Very high97.1Very high0 Ų057.4 Ų57.40%032%0.321CS..SBendtrans-67-29.6175.6-171.361.33100112Q188 S189 C190 S211 Q219 G220 G221Q173-Q188 HydrophobicContact CB-CB 3.82Å; Q173-Q188 VanDerWaalsContact CB-O 3.31Å; Q173-Q188 WeakPolarHBondContact CB-O 3.48Å; Q173-Q188 PolarHBondContact N-O 2.77Å; Q173-S189 WeakPolarHBondContact CB-O 3.12Å; Q173-C190 PolarHBondContact N-SG 3.41Å; Q173-S211 PolarHBondContact NE2-OG 3.03Å; Q173-S211 PolarHBondContact OE1-OG 2.64Å; Q173-Q219 PolarHBondContact NE2-O 3.29Å; Q173-G220 CarbonylContact O-C 3.5Å; Q173-G220 WeakPolarHBondContact O-CA 3.47Å; Q173-G221 PolarHBondContact O-N 3.23Å
174Q97.8Very high97.2Very high50 Ų5056.8 Ų56.823%0.23432%0.321CS..SBendtrans-129.4156.2179.2-69.7-67.6-16.800109.9N172 Q188 G220N172-Q174 PolarHBondContact O-N 2.82Å; Q174-Q188 HydrophobicContact CG-CB 4.4Å; Q174-Q188 HydrophobicContact CG-CG 4.36Å; Q174-G220 VanDerWaalsContact NE2-CA 3.34Å
175P97.8Very high97.2Very high46 Ų4659 Ų5930%0.29933%0.333SS..  trans-69.1140.7177.128.6-31.6000110.5Y201P175-Y201 HydrophobicContact CB-CD1 4.06Å; P175-Y201 HydrophobicContact CB-CE1 3.84Å; P175-Y201 HydrophobicContact CG-CE1 4.14Å; P175-Y201 HydrophobicContact CG-CE2 4.46Å
176W98.3Very high97.2Very high78 Ų7860.9 Ų60.930%0.29534%0.34SS..  trans-56.8140175.4176.689.8000111.7H44 H46 C164 P178H44-W176 HydrophobicContact CB-CH2 4.14Å; H44-W176 HydrophobicContact CB-CZ2 3.76Å; H44-W176 AromaticContact CD2-CZ2 3.89Å; H44-W176 AromaticContact CG-CH2 3.85Å; H44-W176 AromaticContact CG-CZ2 3.8Å; H46-W176 AromaticContact NE2-NE1 3.9Å; C164-W176 WeakPolarHBondContact O-CZ2 3.02Å; C164-W176 PolarHBondContact O-NE1 2.98Å; W176-P178 HydrophobicContact CH2-CB 4.24Å
177K98.1Very high97.3Very high112 Ų11254.5 Ų54.549%0.48732%0.316SS..  trans-144.5146.2174.6-67.4174.9-172.4167.90109.8H46 N185H46-K177 PolarHBondContact CE1-O 3.3Å; H46-K177 PolarHBondContact NE2-O 3.34Å; H46-K177 VanDerWaalsContact NE2-O 3.1Å; K177-N185 HydrophobicContact CB-CB 3.99Å
178P97.8Very high97.3Very high60 Ų6058.2 Ų58.239%0.3933%0.332SS..  trans-64.3149.6174.229.2-35.7000110.9H44 W176 N185H44-P178 HydrophobicContact CB-CB 4.09Å; W176-P178 HydrophobicContact CH2-CB 4.24Å; P178-N185 PolarHBondContact O-ND2 3.12Å
179A97.5Very high97.3Very high25 Ų2559.6 Ų59.621%0.20734%0.342CS..  trans-66.3146.9173.400000111.3H44 G45 H46 A184H44-A179 PolarHBondContact O-N 2.92Å; G45-A179 VanDerWaalsContact O-CB 3.31Å; G45-A179 WeakPolarHBondContact O-CB 3.41Å; H46-A179 PolarHBondContact NE2-N 3.49Å; A179-A184 WeakPolarHBondContact CB-O 3.11Å
180T96.6Very high97.4Very high80 Ų8057.2 Ų57.249%0.49133%0.327SS..  trans-119.7169.8177.263.50000109.5N182 S183T180-N182 PolarHBondContact O-N 2.82Å; T180-N182 VanDerWaalsContact O-N 3.1Å; T180-S183 PolarHBondContact N-O 3.49Å; T180-S183 PolarHBondContact O-N 3.28Å; T180-S183 PolarHBondContact OG1-N 2.75Å; T180-S183 VanDerWaalsContact OG1-N 3.08Å; T180-S183 PolarHBondContact OG1-O 3.45Å
181A95.2Very high97.4Very high105 Ų10557.4 Ų57.487%0.86833%0.326SS*.SBendtrans-59-23.7176.600000113.6
182N95.3Very high97.4Very high159 Ų15955.4 Ų55.485%0.8532%0.318SS*.SBendtrans-113.2-11.9-171.4-59.916.4000113.2T180T180-N182 PolarHBondContact O-N 2.82Å; T180-N182 VanDerWaalsContact O-N 3.1Å
183S96.1Very high97.4Very high52 Ų5258.6 Ų58.636%0.36433%0.328SS..  trans-149.8126.1-178.2176.90000109.5T180 N185T180-S183 PolarHBondContact N-O 3.49Å; T180-S183 PolarHBondContact O-N 3.28Å; T180-S183 PolarHBondContact OG1-N 2.75Å; T180-S183 VanDerWaalsContact OG1-N 3.08Å; T180-S183 PolarHBondContact OG1-O 3.45Å; S183-N185 WeakPolarHBondContact CB-OD1 3.07Å; S183-N185 PolarHBondContact O-N 3.23Å; S183-N185 PolarHBondContact OG-N 3.11Å; S183-N185 PolarHBondContact OG-OD1 3.43Å
184A95.8Very high97.4Very high37 Ų3761.7 Ų61.731%0.30636%0.36SS..  trans-63.4-22.5174.300000112.8H46 A179 E186H46-A184 PolarHBondContact CE1-O 3.14Å; H46-A184 VanDerWaalsContact CE1-O 3.27Å; A179-A184 WeakPolarHBondContact CB-O 3.11Å; A184-E186 PolarHBondContact O-N 3.13Å
185N97.5Very high97.4Very high46 Ų4661.6 Ų61.625%0.24636%0.36CS..  trans47.846.4-175.6-65.9-33.3000111.7K177 P178 S183K177-N185 HydrophobicContact CB-CB 3.99Å; P178-N185 PolarHBondContact O-ND2 3.12Å; S183-N185 WeakPolarHBondContact CB-OD1 3.07Å; S183-N185 PolarHBondContact O-N 3.23Å; S183-N185 PolarHBondContact OG-N 3.11Å; S183-N185 PolarHBondContact OG-OD1 3.43Å
186E97.3Very high97.4Very high112 Ų11260.1 Ų60.152%0.52335%0.352SS..PPolyproline II helixtrans-67.9144.6179.564.4-176.9-160.100112H157 A184H157-E186 HydrophobicContact CB-CB 3.62Å; H157-E186 WeakPolarHBondContact O-CA 3.36Å; A184-E186 PolarHBondContact O-N 3.13Å
187C98.3Very high97.3Very high4 Ų463 Ų633%0.02738%0.378CS..PPolyproline II helixtrans-69.5135.3178.3-66.20000110H157 N158 C167 F171H157-C187 PolarHBondContact O-N 2.93Å; N158-C187 HydrophobicContact CB-CB 3.96Å; N158-C187 PolarHBondContact ND2-O 2.8Å; N158-C187 VanDerWaalsContact ND2-O 3.09Å; N158-C187 WeakPolarHBondContact O-CB 3.25Å; C167-C187 WeakPolarHBondContact CA-SG 3.48Å; C167-C187 HydrophobicContact CB-CB 3.55Å; C167-C187 WeakPolarHBondContact CB-SG 3.29Å; C167-C187 WeakPolarHBondContact SG-CB 3.18Å; C167-C187 CovalentContact SG-SG 2.03Å; C167-C187 PolarHBondContact SG-SG 3.48Å; F171-C187 HydrophobicContact CB-CB 3.73Å; F171-C187 WeakPolarHBondContact O-CB 3.27Å
188Q97.6Very high97.3Very high89 Ų8960 Ų6042%0.41637%0.368SS..PPolyproline II helixtrans-100.4135.2-174.3-70.2-176.816.900110.9F171 N172 Q173 Q174F171-Q188 CarbonylContact C-O 3.59Å; F171-Q188 WeakPolarHBondContact CA-O 3.19Å; N172-Q188 PolarHBondContact N-O 3.31Å; Q173-Q188 HydrophobicContact CB-CB 3.82Å; Q173-Q188 VanDerWaalsContact CB-O 3.31Å; Q173-Q188 WeakPolarHBondContact CB-O 3.48Å; Q173-Q188 PolarHBondContact N-O 2.77Å; Q174-Q188 HydrophobicContact CG-CB 4.4Å; Q174-Q188 HydrophobicContact CG-CG 4.36Å
189S97.7Very high97.3Very high42 Ų4257.4 Ų57.429%0.29435%0.351SS..PPolyproline II helixtrans-66.8138.2179.4-174.70000112G170 Q173G170-S189 CarbonylContact O-C 3.25Å; G170-S189 WeakPolarHBondContact O-CA 3.2Å; Q173-S189 WeakPolarHBondContact CB-O 3.12Å
190C98.2Very high97.3Very high9 Ų961.6 Ų61.66%0.06136%0.362CS..PPolyproline II helixtrans-73.8145.8171.3-64.30000111G170 Q173 C199G170-C190 PolarHBondContact O-N 2.03Å; Q173-C190 PolarHBondContact N-SG 3.41Å; C190-C199 HydrophobicContact CB-CB 3.6Å; C190-C199 WeakPolarHBondContact CB-SG 3.36Å; C190-C199 WeakPolarHBondContact SG-CB 3.22Å; C190-C199 CovalentContact SG-SG 2.01Å; C190-C199 PolarHBondContact SG-SG 3.1Å
191N98.4Very high97.4Very high14 Ų1460.7 Ų60.78%0.07535%0.35CS..  trans-91104170.2-175.56.6000110.1Y193 Q212 S213 L214 N235N191-Y193 WeakPolarHBondContact ND2-CE1 3.4Å; N191-Y193 PolarHBondContact OD1-N 3.16Å; N191-Y193 VanDerWaalsContact OD1-N 3.15Å; N191-Q212 VanDerWaalsContact CB-O 3.22Å; N191-Q212 WeakPolarHBondContact CB-O 3.08Å; N191-Q212 PolarHBondContact ND2-OE1 2.03Å; N191-S213 PolarHBondContact ND2-O 2.04Å; N191-L214 HydrophobicContact CB-CD2 4.08Å; N191-N235 WeakPolarHBondContact O-CA 3.24Å; N191-N235 WeakPolarHBondContact O-CB 3.05Å; N191-N235 PolarHBondContact O-ND2 3.21Å
192C98.4Very high97.6Very high9 Ų957.6 Ų57.66%0.06132%0.319CS..  trans-109.114.2174-56.40000112.8G194 H195 A196 C224 N235C192-G194 PolarHBondContact O-N 3.07Å; C192-H195 WeakPolarHBondContact O-CB 3.32Å; C192-H195 PolarHBondContact O-N 2.93Å; C192-A196 HydrophobicContact CB-CB 3.82Å; C192-C224 WeakPolarHBondContact CA-SG 3.38Å; C192-C224 HydrophobicContact CB-CB 3.94Å; C192-C224 WeakPolarHBondContact CB-SG 3.33Å; C192-C224 WeakPolarHBondContact SG-CB 2.99Å; C192-C224 CovalentContact SG-SG 2.03Å; C192-C224 PolarHBondContact SG-SG 2.68Å; C192-N235 CarbonylContact C-O 3.55Å; C192-N235 VanDerWaalsContact C-O 3.25Å; C192-N235 VanDerWaalsContact CA-O 3.28Å; C192-N235 WeakPolarHBondContact CA-O 3.01Å
193Y97.5Very high97.7Very high101 Ų10153.7 Ų53.740%0.39630%0.302SS..THydrogen-bonded Turntrans47.228.7-172.9-56.2-75.3000115N191 H195 Q212 N235 E237N191-Y193 WeakPolarHBondContact ND2-CE1 3.4Å; N191-Y193 PolarHBondContact OD1-N 3.16Å; N191-Y193 VanDerWaalsContact OD1-N 3.15Å; Y193-H195 VanDerWaalsContact C-N 3.31Å; Y193-H195 PolarHBondContact O-N 2.74Å; Y193-Q212 PolarHBondContact OH-OE1 3Å; Y193-N235 HydrophobicContact CD2-CB 4.23Å; Y193-N235 WeakPolarHBondContact CD2-O 3.21Å; Y193-N235 HydrophobicContact CE2-CB 3.75Å; Y193-E237 HydrophobicContact CD2-CB 4.12Å; Y193-E237 HydrophobicContact CE2-CB 3.67Å
194G97.4Very high97.8Very high66 Ų6655 Ų5568%0.6830%0.303SS*.THydrogen-bonded Turntrans75.713.8-177.500000115C192C192-G194 PolarHBondContact O-N 3.07Å
195H98.2Very high97.9Very high47 Ų4754.2 Ų54.222%0.21829%0.293CS..SBendtrans-97.7-10.2176.5-62.8-65.1000113.7C192 Y193 Q228 H229 T231 C236C192-H195 WeakPolarHBondContact O-CB 3.32Å; C192-H195 PolarHBondContact O-N 2.93Å; Y193-H195 VanDerWaalsContact C-N 3.31Å; Y193-H195 PolarHBondContact O-N 2.74Å; H195-Q228 VanDerWaalsContact O-CB 3.26Å; H195-Q228 WeakPolarHBondContact O-CB 3.25Å; H195-Q228 WeakPolarHBondContact O-CG 3.46Å; H195-Q228 PolarHBondContact O-N 3.16Å; H195-H229 AromaticContact CE1-ND1 3.47Å; H195-H229 PolarHBondContact CE1-ND1 3.4Å; H195-H229 WeakPolarHBondContact ND1-CB 3.12Å; H195-H229 AromaticContact ND1-CG 3.47Å; H195-H229 AromaticContact ND1-ND1 2.92Å; H195-H229 PolarHBondContact ND1-ND1 2.96Å; H195-T231 WeakPolarHBondContact CB-OG1 3.36Å; H195-C236 HydrophobicContact CB-CB 3.55Å
196A98.1Very high98Very high16 Ų1654 Ų5413%0.13229%0.292CS..  trans-144.7151.7171.900000109.8C192 C224 I225C192-A196 HydrophobicContact CB-CB 3.82Å; A196-C224 HydrophobicContact CB-CB 4.03Å; A196-I225 WeakPolarHBondContact CB-O 3.03Å
197T96.1Very high98Very high139 Ų13957 Ų5785%0.85330%0.299SS*.SBendtrans-101.3-12.517854.10000113
198D97.6Very high98Very high49 Ų4965.3 Ų65.326%0.26233%0.33SS..  trans-137.8160.4-177.2-1617.1000110.8P169 G170 I225P169-D198 WeakPolarHBondContact CA-OD1 3.45Å; P169-D198 HydrophobicContact CB-CB 4.42Å; P169-D198 WeakPolarHBondContact CB-OD1 3.49Å; G170-D198 PolarHBondContact N-OD1 3.09Å; D198-I225 HydrophobicContact CB-CD1 3.81Å; D198-I225 HydrophobicContact CB-CG1 3.9Å; D198-I225 WeakPolarHBondContact O-CG1 3.04Å; D198-I225 PolarHBondContact O-N 2.96Å; D198-I225 VanDerWaalsContact O-N 3.13Å
199C98.2Very high98Very high5 Ų570 Ų703%0.03434%0.343CS..EExtended strand (participates in β ladder)trans-158.8162.3-176.761.60000110.1G170 N172 C190 V223G170-C199 VanDerWaalsContact C-SG 3.54Å; G170-C199 PolarHBondContact O-SG 3.05Å; N172-C199 PolarHBondContact ND2-O 3.34Å; C190-C199 HydrophobicContact CB-CB 3.6Å; C190-C199 WeakPolarHBondContact CB-SG 3.36Å; C190-C199 WeakPolarHBondContact SG-CB 3.22Å; C190-C199 CovalentContact SG-SG 2.01Å; C190-C199 PolarHBondContact SG-SG 3.1Å; C199-V223 CarbonylContact C-O 3.46Å; C199-V223 WeakPolarHBondContact CA-O 3.31Å; C199-V223 WeakPolarHBondContact CB-O 3.43Å
200Y98.3Very high98Very high112 Ų11269.9 Ų69.944%0.43935%0.346SS..EExtended strand (participates in β ladder)trans-120.1158.6169.569.5-86.5000111D202 V223 I225Y200-D202 HydrophobicContact CD2-CB 4.38Å; Y200-D202 HydrophobicContact CE2-CB 3.86Å; Y200-V223 HydrophobicContact CD1-CB 4.14Å; Y200-V223 HydrophobicContact CE1-CB 3.68Å; Y200-V223 HydrophobicContact CE1-CG1 3.7Å; Y200-V223 HydrophobicContact CE2-CB 4.11Å; Y200-V223 HydrophobicContact CE2-CG2 4.17Å; Y200-V223 PolarHBondContact N-O 3.43Å; Y200-V223 PolarHBondContact O-N 2.94Å; Y200-I225 HydrophobicContact CD1-CG2 3.61Å; Y200-I225 HydrophobicContact CE1-CG2 4.03Å
201Y98.6Very high98Very high61 Ų6169.5 Ų69.524%0.23934%0.343CS..EExtended strand (participates in β ladder)trans-87.5128.4175176.6-101.2000110.1N172 P175 P203 D206N172-Y201 WeakPolarHBondContact O-CA 3.2Å; N172-Y201 WeakPolarHBondContact O-CB 3.42Å; P175-Y201 HydrophobicContact CB-CD1 4.06Å; P175-Y201 HydrophobicContact CB-CE1 3.84Å; P175-Y201 HydrophobicContact CG-CE1 4.14Å; P175-Y201 HydrophobicContact CG-CE2 4.46Å; Y201-P203 HydrophobicContact CE1-CB 3.99Å; Y201-D206 HydrophobicContact CE2-CB 4.06Å; Y201-D206 PolarHBondContact OH-OD2 3.11Å
202D98.6Very high98Very high41 Ų4170.1 Ų70.122%0.21935%0.345CS..  trans-119.5115.6172.7-169.5-35.5000110.4Y200 E204 V205 D206 G221 V223Y200-D202 HydrophobicContact CD2-CB 4.38Å; Y200-D202 HydrophobicContact CE2-CB 3.86Å; D202-E204 PolarHBondContact O-N 3.27Å; D202-E204 WeakPolarHBondContact OD1-CB 3.2Å; D202-E204 PolarHBondContact OD1-N 3.37Å; D202-V205 HydrophobicContact CB-CB 3.98Å; D202-V205 HydrophobicContact CB-CG2 3.78Å; D202-V205 PolarHBondContact O-N 3.46Å; D202-V205 PolarHBondContact OD1-N 3.26Å; D202-D206 PolarHBondContact O-N 2.99Å; D202-D206 VanDerWaalsContact O-N 3.13Å; D202-G221 PolarHBondContact N-O 3.27Å; D202-V223 HydrophobicContact CB-CG2 3.76Å
203P98.3Very high97.9Very high76 Ų7670.2 Ų70.249%0.49435%0.346SS..Hα-helixtrans-65.2-25.1-179.427.3-34.8000113.3Y201 R207Y201-P203 HydrophobicContact CE1-CB 3.99Å; P203-R207 VanDerWaalsContact O-CB 3.31Å; P203-R207 WeakPolarHBondContact O-CB 3.29Å; P203-R207 PolarHBondContact O-N 3.17Å
204E98.4Very high97.8Very high81 Ų8171.1 Ų71.138%0.37936%0.357SS..Hα-helixtrans-76.3-33.5177.4-69.4-56.1140.500112.1D202 R207 R208D202-E204 PolarHBondContact O-N 3.27Å; D202-E204 WeakPolarHBondContact OD1-CB 3.2Å; D202-E204 PolarHBondContact OD1-N 3.37Å; E204-R207 IonicContact OE1-NE 3.66Å; E204-R207 IonicContact OE2-CZ 3.19Å; E204-R207 IonicContact OE2-NE 2.87Å; E204-R207 PolarHBondContact OE2-NE 2.75Å; E204-R207 IonicContact OE2-NH2 2.67Å; E204-R207 PolarHBondContact OE2-NH2 2.88Å; E204-R208 WeakPolarHBondContact O-CB 3.48Å; E204-R208 WeakPolarHBondContact O-CD 3.47Å; E204-R208 WeakPolarHBondContact O-CG 3.04Å; E204-R208 PolarHBondContact O-N 2.74Å
205V98.4Very high97.7Very high19 Ų1973.2 Ų73.212%0.11535%0.353CS..Hα-helixtrans-66.6-41.5172.4173.70000110.4D202 R208 R209 A210 V223 V234D202-V205 HydrophobicContact CB-CB 3.98Å; D202-V205 HydrophobicContact CB-CG2 3.78Å; D202-V205 PolarHBondContact O-N 3.46Å; D202-V205 PolarHBondContact OD1-N 3.26Å; V205-R208 PolarHBondContact O-N 2.92Å; V205-R209 PolarHBondContact O-N 2.92Å; V205-R209 VanDerWaalsContact O-N 3.09Å; V205-A210 HydrophobicContact CG1-CB 3.98Å; V205-A210 PolarHBondContact O-N 3.28Å; V205-V223 HydrophobicContact CB-CG2 4.19Å; V205-V223 HydrophobicContact CG1-CG2 4.2Å; V205-V223 HydrophobicContact CG2-CG2 3.72Å; V205-V234 HydrophobicContact CG1-CG1 3.77Å
206D98.3Very high97.6Very high42 Ų4272.8 Ų72.823%0.22536%0.361CS..Hα-helixtrans-60.8-51.3174.3-169.610.7000111.8Y201 D202 R208 R209 G220Y201-D206 HydrophobicContact CE2-CB 4.06Å; Y201-D206 PolarHBondContact OH-OD2 3.11Å; D202-D206 PolarHBondContact O-N 2.99Å; D202-D206 VanDerWaalsContact O-N 3.13Å; D206-R208 PolarHBondContact O-N 2.03Å; D206-R209 PolarHBondContact O-N 2.94Å; D206-G220 VanDerWaalsContact CA-O 3.25Å; D206-G220 WeakPolarHBondContact CA-O 3.04Å; D206-G220 WeakPolarHBondContact OD1-CA 3.49Å; D206-G220 PolarHBondContact OD1-N 3.06Å; D206-G220 VanDerWaalsContact OD1-N 3.16Å
207R97.9Very high97.5Very high175 Ų17574.3 Ų74.366%0.6637%0.368SS*.Hα-helixtrans-58.8-33.9178.8-170.5176.67097.6-2.7112.7P203 E204 R209P203-R207 VanDerWaalsContact O-CB 3.31Å; P203-R207 WeakPolarHBondContact O-CB 3.29Å; P203-R207 PolarHBondContact O-N 3.17Å; E204-R207 IonicContact OE1-NE 3.66Å; E204-R207 IonicContact OE2-CZ 3.19Å; E204-R207 IonicContact OE2-NE 2.87Å; E204-R207 PolarHBondContact OE2-NE 2.75Å; E204-R207 IonicContact OE2-NH2 2.67Å; E204-R207 PolarHBondContact OE2-NH2 2.88Å; R207-R209 VanDerWaalsContact C-N 3.33Å
208R97.8Very high97.6Very high178 Ų17873.5 Ų73.567%0.67235%0.351SS*.THydrogen-bonded Turntrans-85.3-4.2177.8-68173.7-169.1-158.73.9113.5E204 V205 D206 A210E204-R208 WeakPolarHBondContact O-CB 3.48Å; E204-R208 WeakPolarHBondContact O-CD 3.47Å; E204-R208 WeakPolarHBondContact O-CG 3.04Å; E204-R208 PolarHBondContact O-N 2.74Å; V205-R208 PolarHBondContact O-N 2.92Å; D206-R208 PolarHBondContact O-N 2.03Å; R208-A210 HydrophobicContact CB-CB 4.22Å; R208-A210 PolarHBondContact O-N 3.26Å
209R97.9Very high97.5Very high187 Ų18777 Ų7771%0.70637%0.365SS*.THydrogen-bonded Turntrans51.247-172.9-59.4-174.6-179.5176.9-1.5111.4V205 D206 R207 Y218V205-R209 PolarHBondContact O-N 2.92Å; V205-R209 VanDerWaalsContact O-N 3.09Å; D206-R209 PolarHBondContact O-N 2.94Å; R207-R209 VanDerWaalsContact C-N 3.33Å; R209-Y218 WeakPolarHBondContact O-CD1 3.44Å
210A97.7Very high97.4Very high41 Ų4176.8 Ų76.834%0.33936%0.364SS..  trans-103.1-2.6-175.200000113.6V205 R208 V234V205-A210 HydrophobicContact CG1-CB 3.98Å; V205-A210 PolarHBondContact O-N 3.28Å; R208-A210 HydrophobicContact CB-CB 4.22Å; R208-A210 PolarHBondContact O-N 3.26Å; A210-V234 WeakPolarHBondContact O-CG1 3.23Å
211S98.3Very high97.4Very high0 Ų071.4 Ų71.40%034%0.343CS..SBendtrans-111.1132.3172.1179.10000110.2Q173 Y218 G220 G222 N235Q173-S211 PolarHBondContact NE2-OG 3.03Å; Q173-S211 PolarHBondContact OE1-OG 2.64Å; S211-Y218 WeakPolarHBondContact O-CA 3.43Å; S211-G220 WeakPolarHBondContact CB-O 3.03Å; S211-G222 VanDerWaalsContact CB-O 3.22Å; S211-G222 WeakPolarHBondContact CB-O 3.43Å; S211-G222 PolarHBondContact OG-N 3.38Å; S211-G222 PolarHBondContact OG-O 3.2Å; S211-N235 WeakPolarHBondContact CA-OD1 3.46Å
212Q98Very high97.4Very high28 Ų2868.5 Ų68.513%0.13133%0.332CS..  trans-89.9137.2174.2-163177.698.400110.9N191 Y193 T217 Y218 N235N191-Q212 VanDerWaalsContact CB-O 3.22Å; N191-Q212 WeakPolarHBondContact CB-O 3.08Å; N191-Q212 PolarHBondContact ND2-OE1 2.03Å; Y193-Q212 PolarHBondContact OH-OE1 3Å; Q212-T217 CarbonylContact C-O 3.56Å; Q212-T217 WeakPolarHBondContact CA-O 3.36Å; Q212-T217 WeakPolarHBondContact CG-O 3.36Å; Q212-Y218 HydrophobicContact CB-CD1 4.34Å; Q212-Y218 HydrophobicContact CB-CE1 4.19Å; Q212-N235 PolarHBondContact N-ND2 3.46Å; Q212-N235 PolarHBondContact N-OD1 3.34Å; Q212-N235 PolarHBondContact O-ND2 3.48Å; Q212-N235 VanDerWaalsContact O-ND2 3.11Å
213S96.8Very high97.4Very high11 Ų1167.4 Ų67.48%0.07733%0.326CS..  trans-81.8171.7169.8-4.30000111.1N191 D215 G216 T217 Q219N191-S213 PolarHBondContact ND2-O 2.04Å; S213-D215 VanDerWaalsContact CB-OD1 3.27Å; S213-D215 WeakPolarHBondContact CB-OD1 3.25Å; S213-D215 PolarHBondContact O-N 2.82Å; S213-D215 PolarHBondContact OG-OD1 3.48Å; S213-G216 PolarHBondContact O-N 3.08Å; S213-G216 VanDerWaalsContact O-N 3.09Å; S213-T217 PolarHBondContact N-O 3.49Å; S213-T217 PolarHBondContact OG-O 3.39Å; S213-T217 PolarHBondContact OG-OG1 3.1Å; S213-Q219 PolarHBondContact OG-O 2.9Å; S213-Q219 VanDerWaalsContact OG-O 3.06Å
214L95.5Very high97.4Very high120 Ų12064.3 Ų64.363%0.62831%0.306SS*.THydrogen-bonded Turntrans-62.1-22.1-179.6-69.4177000114.4N191 G216N191-L214 HydrophobicContact CB-CD2 4.08Å; L214-G216 VanDerWaalsContact C-N 3.27Å
215D95.6Very high97.4Very high110 Ų11063.3 Ų63.359%0.58830%0.303SS*.THydrogen-bonded Turntrans-83.80.9177.967-13.5000113.5S213 T217S213-D215 VanDerWaalsContact CB-OD1 3.27Å; S213-D215 WeakPolarHBondContact CB-OD1 3.25Å; S213-D215 PolarHBondContact O-N 2.82Å; S213-D215 PolarHBondContact OG-OD1 3.48Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 VanDerWaalsContact CG-OG1 3.25Å; D215-T217 WeakPolarHBondContact OD1-CB 3.34Å; D215-T217 PolarHBondContact OD1-N 2.7Å; D215-T217 PolarHBondContact OD1-OG1 3.23Å; D215-T217 VanDerWaalsContact OD2-CG2 3.32Å; D215-T217 WeakPolarHBondContact OD2-CG2 3.38Å; D215-T217 PolarHBondContact OD2-OG1 3.3Å; D215-T217 VanDerWaalsContact OD2-OG1 3.05Å
216G94.8Very high97.4Very high37 Ų3768.6 Ų68.638%0.38133%0.33SS..SBendtrans83.22-177.700000114.4S213 L214S213-G216 PolarHBondContact O-N 3.08Å; S213-G216 VanDerWaalsContact O-N 3.09Å; L214-G216 VanDerWaalsContact C-N 3.27Å
217T97.2Very high97.4Very high48 Ų4868.1 Ų68.129%0.29433%0.33SS..  trans-86.5151.417669.70000111.4Q212 S213 D215 Q219Q212-T217 CarbonylContact C-O 3.56Å; Q212-T217 WeakPolarHBondContact CA-O 3.36Å; Q212-T217 WeakPolarHBondContact CG-O 3.36Å; S213-T217 PolarHBondContact N-O 3.49Å; S213-T217 PolarHBondContact OG-O 3.39Å; S213-T217 PolarHBondContact OG-OG1 3.1Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 VanDerWaalsContact CG-OG1 3.25Å; D215-T217 WeakPolarHBondContact OD1-CB 3.34Å; D215-T217 PolarHBondContact OD1-N 2.7Å; D215-T217 PolarHBondContact OD1-OG1 3.23Å; D215-T217 VanDerWaalsContact OD2-CG2 3.32Å; D215-T217 WeakPolarHBondContact OD2-CG2 3.38Å; D215-T217 PolarHBondContact OD2-OG1 3.3Å; D215-T217 VanDerWaalsContact OD2-OG1 3.05Å; T217-Q219 PolarHBondContact O-N 2.83Å
218Y97.2Very high97.4Very high123 Ų12365 Ų6548%0.48232%0.323SS..  trans-9175.3174.6-72.7-94.8000110.5R209 S211 Q212R209-Y218 WeakPolarHBondContact O-CD1 3.44Å; S211-Y218 WeakPolarHBondContact O-CA 3.43Å; Q212-Y218 HydrophobicContact CB-CD1 4.34Å; Q212-Y218 HydrophobicContact CB-CE1 4.19Å
219Q95.9Very high97.4Very high121 Ų12162.8 Ų62.857%0.56532%0.32SS*.  trans-127.9124.4178.6-61.3-171.732.200110.3Q173 S213 T217Q173-Q219 PolarHBondContact NE2-O 3.29Å; S213-Q219 PolarHBondContact OG-O 2.9Å; S213-Q219 VanDerWaalsContact OG-O 3.06Å; T217-Q219 PolarHBondContact O-N 2.83Å
220G96.8Very high97.4Very high1 Ų161.2 Ų61.21%0.0132%0.32CS..SBendtrans99.1-179.5-17700000113.3Q173 Q174 D206 S211Q173-G220 CarbonylContact O-C 3.5Å; Q173-G220 WeakPolarHBondContact O-CA 3.47Å; Q174-G220 VanDerWaalsContact NE2-CA 3.34Å; D206-G220 VanDerWaalsContact CA-O 3.25Å; D206-G220 WeakPolarHBondContact CA-O 3.04Å; D206-G220 WeakPolarHBondContact OD1-CA 3.49Å; D206-G220 PolarHBondContact OD1-N 3.06Å; D206-G220 VanDerWaalsContact OD1-N 3.16Å; S211-G220 WeakPolarHBondContact CB-O 3.03Å
221G98.1Very high97.4Very high0 Ų060 Ų600%031%0.309CS..  trans-131.126.3-167.300000114.1Q173 D202 V223Q173-G221 PolarHBondContact O-N 3.23Å; D202-G221 PolarHBondContact N-O 3.27Å; G221-V223 PolarHBondContact O-N 3.14Å
222G98.4Very high97.4Very high0 Ų062.4 Ų62.40%032%0.324CS..EExtended strand (participates in β ladder)trans-66125.6179.100000111.7N172 S211 V234N172-G222 WeakPolarHBondContact O-CA 3.41Å; S211-G222 VanDerWaalsContact CB-O 3.22Å; S211-G222 WeakPolarHBondContact CB-O 3.43Å; S211-G222 PolarHBondContact OG-N 3.38Å; S211-G222 PolarHBondContact OG-O 3.2Å; G222-V234 VanDerWaalsContact O-CG1 3.29Å; G222-V234 WeakPolarHBondContact O-CG1 3.35Å
223V98.7Very high97.4Very high17 Ų1761.9 Ų61.910%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-117.6116.4175.3-174.20000108.8C199 Y200 D202 V205 G221 V234C199-V223 CarbonylContact C-O 3.46Å; C199-V223 WeakPolarHBondContact CA-O 3.31Å; C199-V223 WeakPolarHBondContact CB-O 3.43Å; Y200-V223 HydrophobicContact CD1-CB 4.14Å; Y200-V223 HydrophobicContact CE1-CB 3.68Å; Y200-V223 HydrophobicContact CE1-CG1 3.7Å; Y200-V223 HydrophobicContact CE2-CB 4.11Å; Y200-V223 HydrophobicContact CE2-CG2 4.17Å; Y200-V223 PolarHBondContact N-O 3.43Å; Y200-V223 PolarHBondContact O-N 2.94Å; D202-V223 HydrophobicContact CB-CG2 3.76Å; V205-V223 HydrophobicContact CB-CG2 4.19Å; V205-V223 HydrophobicContact CG1-CG2 4.2Å; V205-V223 HydrophobicContact CG2-CG2 3.72Å; G221-V223 PolarHBondContact O-N 3.14Å; V223-V234 HydrophobicContact CG2-CG1 4.32Å
224C98.6Very high97.4Very high11 Ų1163 Ų637%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-66.8139.9180-58.40000111.2C192 A196 V234 C236C192-C224 WeakPolarHBondContact CA-SG 3.38Å; C192-C224 HydrophobicContact CB-CB 3.94Å; C192-C224 WeakPolarHBondContact CB-SG 3.33Å; C192-C224 WeakPolarHBondContact SG-CB 2.99Å; C192-C224 CovalentContact SG-SG 2.03Å; C192-C224 PolarHBondContact SG-SG 2.68Å; A196-C224 HydrophobicContact CB-CB 4.03Å; C224-V234 PolarHBondContact N-O 2.83Å; C224-V234 PolarHBondContact SG-O 3.2Å; C224-V234 VanDerWaalsContact SG-O 3.34Å; C224-C236 WeakPolarHBondContact CB-SG 3.37Å
225I97.9Very high97.6Very high60 Ų6057.4 Ų57.431%0.30830%0.303SS..SBendtrans-105.6144.8174.865.2176.4000110.2A196 D198 Y200 C227A196-I225 WeakPolarHBondContact CB-O 3.03Å; D198-I225 HydrophobicContact CB-CD1 3.81Å; D198-I225 HydrophobicContact CB-CG1 3.9Å; D198-I225 WeakPolarHBondContact O-CG1 3.04Å; D198-I225 PolarHBondContact O-N 2.96Å; D198-I225 VanDerWaalsContact O-N 3.13Å; Y200-I225 HydrophobicContact CD1-CG2 3.61Å; Y200-I225 HydrophobicContact CE1-CG2 4.03Å; I225-C227 PolarHBondContact O-N 2.76Å
226D97.3Very high97.7Very high130 Ų13052.3 Ų52.370%0.69528%0.275SS*.SBendtrans51.954.3176.4-58.7-32.6000114.2Q228D226-Q228 WeakPolarHBondContact O-CG 3.26Å; D226-Q228 PolarHBondContact O-N 3.16Å; D226-Q228 VanDerWaalsContact O-N 3.07Å; D226-Q228 PolarHBondContact O-NE2 2.96Å; D226-Q228 VanDerWaalsContact O-NE2 3.16Å
227C98.3Very high97.8Very high32 Ų3254.6 Ų54.622%0.21628%0.276CS..  trans-52.2114.9174.9-68.10000111.6I225 T231 C236I225-C227 PolarHBondContact O-N 2.76Å; C227-T231 VanDerWaalsContact CB-O 3.29Å; C227-T231 WeakPolarHBondContact CB-O 3.46Å; C227-T231 WeakPolarHBondContact CB-OG1 3.42Å; C227-C236 VanDerWaalsContact CA-SG 3.52Å; C227-C236 HydrophobicContact CB-CB 3.76Å; C227-C236 WeakPolarHBondContact CB-SG 3.31Å; C227-C236 WeakPolarHBondContact SG-CA 3.34Å; C227-C236 WeakPolarHBondContact SG-CB 3.36Å; C227-C236 CovalentContact SG-SG 2.04Å; C227-C236 PolarHBondContact SG-SG 3.03Å
228Q97.9Very high97.9Very high111 Ų11159.4 Ų59.452%0.51929%0.289SS..  trans-85.5-178.7179.5-57.2-58.8-19.700111.7H195 D226 H230 T231H195-Q228 VanDerWaalsContact O-CB 3.26Å; H195-Q228 WeakPolarHBondContact O-CB 3.25Å; H195-Q228 WeakPolarHBondContact O-CG 3.46Å; H195-Q228 PolarHBondContact O-N 3.16Å; D226-Q228 WeakPolarHBondContact O-CG 3.26Å; D226-Q228 PolarHBondContact O-N 3.16Å; D226-Q228 VanDerWaalsContact O-N 3.07Å; D226-Q228 PolarHBondContact O-NE2 2.96Å; D226-Q228 VanDerWaalsContact O-NE2 3.16Å; Q228-H230 PolarHBondContact O-N 2.96Å; Q228-T231 WeakPolarHBondContact O-CB 3.44Å; Q228-T231 PolarHBondContact O-N 3.27Å; Q228-T231 VanDerWaalsContact O-N 3.16Å; Q228-T231 PolarHBondContact O-OG1 3.43Å
229H97.9Very high97.9Very high131 Ų13158.7 Ų58.761%0.60630%0.3SS*.THydrogen-bonded Turntrans57.932.7175.5-45.4149.9000113.8H195 T231H195-H229 AromaticContact CE1-ND1 3.47Å; H195-H229 PolarHBondContact CE1-ND1 3.4Å; H195-H229 WeakPolarHBondContact ND1-CB 3.12Å; H195-H229 AromaticContact ND1-CG 3.47Å; H195-H229 AromaticContact ND1-ND1 2.92Å; H195-H229 PolarHBondContact ND1-ND1 2.96Å; H229-T231 VanDerWaalsContact C-N 3.26Å; H229-T231 PolarHBondContact O-N 3.44Å
230H97.4Very high98Very high153 Ų15357.3 Ų57.371%0.70830%0.296SS*.THydrogen-bonded Turntrans58.135.2-177.7-52.993.7000114Q228 L240Q228-H230 PolarHBondContact O-N 2.96Å; H230-L240 HydrophobicContact CB-CD1 4.44Å; H230-L240 PolarHBondContact O-N 3.01Å
231T98.3Very high97.8Very high15 Ų1566.6 Ų66.69%0.09236%0.357CS..EExtended strand (participates in β ladder)trans-104.2163.4177.664.30000112.3H195 C227 Q228 H229 C236 R238H195-T231 WeakPolarHBondContact CB-OG1 3.36Å; C227-T231 VanDerWaalsContact CB-O 3.29Å; C227-T231 WeakPolarHBondContact CB-O 3.46Å; C227-T231 WeakPolarHBondContact CB-OG1 3.42Å; Q228-T231 WeakPolarHBondContact O-CB 3.44Å; Q228-T231 PolarHBondContact O-N 3.27Å; Q228-T231 VanDerWaalsContact O-N 3.16Å; Q228-T231 PolarHBondContact O-OG1 3.43Å; H229-T231 VanDerWaalsContact C-N 3.26Å; H229-T231 PolarHBondContact O-N 3.44Å; T231-C236 WeakPolarHBondContact CB-O 3.43Å; T231-C236 WeakPolarHBondContact OG1-CB 3.41Å; T231-R238 CarbonylContact C-O 3.54Å; T231-R238 WeakPolarHBondContact CA-O 3.44Å; T231-R238 WeakPolarHBondContact CB-O 3.45Å
232T98.2Very high97.8Very high52 Ų5269.9 Ų69.932%0.31937%0.374SS..EExtended strand (participates in β ladder)trans-155.6168.4178.9-166.60000110.2C236 E237 R238 L240T232-C236 CarbonylContact O-C 3.37Å; T232-E237 PolarHBondContact O-N 3.37Å; T232-R238 HydrophobicContact CG2-CB 4.1Å; T232-R238 PolarHBondContact N-O 3.42Å; T232-R238 WeakPolarHBondContact O-CB 3.45Å; T232-R238 PolarHBondContact O-N 2.94Å; T232-L240 HydrophobicContact CG2-CD2 4.12Å
233G97.7Very high97.7Very high16 Ų1673.6 Ų73.617%0.16539%0.394CS..SBendtrans114.5177.5-174.900000112.8N235 E237G233-N235 VanDerWaalsContact C-N 3.29Å; G233-E237 WeakPolarHBondContact CA-OE1 3.4Å; G233-E237 WeakPolarHBondContact CA-OE2 3.41Å
234V98.3Very high97.7Very high34 Ų3476.7 Ų76.721%0.20641%0.41CS..SBendtrans-66.8-37.5-178.3171.40000110.7V205 A210 G222 V223 C224 E237V205-V234 HydrophobicContact CG1-CG1 3.77Å; A210-V234 WeakPolarHBondContact O-CG1 3.23Å; G222-V234 VanDerWaalsContact O-CG1 3.29Å; G222-V234 WeakPolarHBondContact O-CG1 3.35Å; V223-V234 HydrophobicContact CG2-CG1 4.32Å; C224-V234 PolarHBondContact N-O 2.83Å; C224-V234 PolarHBondContact SG-O 3.2Å; C224-V234 VanDerWaalsContact SG-O 3.34Å; V234-E237 PolarHBondContact N-OE2 2.83Å; V234-E237 VanDerWaalsContact N-OE2 3.15Å
235N98.6Very high97.6Very high4 Ų480.6 Ų80.62%0.02143%0.43CS..SBendtrans-11112.8-178.2-65.4104000111.6N191 C192 Y193 S211 Q212 G233 E237N191-N235 WeakPolarHBondContact O-CA 3.24Å; N191-N235 WeakPolarHBondContact O-CB 3.05Å; N191-N235 PolarHBondContact O-ND2 3.21Å; C192-N235 CarbonylContact C-O 3.55Å; C192-N235 VanDerWaalsContact C-O 3.25Å; C192-N235 VanDerWaalsContact CA-O 3.28Å; C192-N235 WeakPolarHBondContact CA-O 3.01Å; Y193-N235 HydrophobicContact CD2-CB 4.23Å; Y193-N235 WeakPolarHBondContact CD2-O 3.21Å; Y193-N235 HydrophobicContact CE2-CB 3.75Å; S211-N235 WeakPolarHBondContact CA-OD1 3.46Å; Q212-N235 PolarHBondContact N-ND2 3.46Å; Q212-N235 PolarHBondContact N-OD1 3.34Å; Q212-N235 PolarHBondContact O-ND2 3.48Å; Q212-N235 VanDerWaalsContact O-ND2 3.11Å; G233-N235 VanDerWaalsContact C-N 3.29Å; N235-E237 VanDerWaalsContact C-N 3.28Å; N235-E237 WeakPolarHBondContact CA-OE2 3.31Å; N235-E237 HydrophobicContact CB-CB 4.44Å; N235-E237 PolarHBondContact N-OE2 3.48Å; N235-E237 PolarHBondContact O-N 3.44Å
236C98.4Very high97.6Very high2 Ų281.9 Ų81.91%0.01444%0.438CS..SBendtrans58.936.6-170.4-50.80000113.5H195 C224 C227 T231 T232H195-C236 HydrophobicContact CB-CB 3.55Å; C224-C236 WeakPolarHBondContact CB-SG 3.37Å; C227-C236 VanDerWaalsContact CA-SG 3.52Å; C227-C236 HydrophobicContact CB-CB 3.76Å; C227-C236 WeakPolarHBondContact CB-SG 3.31Å; C227-C236 WeakPolarHBondContact SG-CA 3.34Å; C227-C236 WeakPolarHBondContact SG-CB 3.36Å; C227-C236 CovalentContact SG-SG 2.04Å; C227-C236 PolarHBondContact SG-SG 3.03Å; T231-C236 WeakPolarHBondContact CB-O 3.43Å; T231-C236 WeakPolarHBondContact OG1-CB 3.41Å; T232-C236 CarbonylContact O-C 3.37Å
237E97.3Very high97.6Very high86 Ų8678.7 Ų78.740%0.40242%0.421SS..  trans-92-4.6-16975.4-66.7160.300115.1Y193 T232 G233 V234 N235Y193-E237 HydrophobicContact CD2-CB 4.12Å; Y193-E237 HydrophobicContact CE2-CB 3.67Å; T232-E237 PolarHBondContact O-N 3.37Å; G233-E237 WeakPolarHBondContact CA-OE1 3.4Å; G233-E237 WeakPolarHBondContact CA-OE2 3.41Å; V234-E237 PolarHBondContact N-OE2 2.83Å; V234-E237 VanDerWaalsContact N-OE2 3.15Å; N235-E237 VanDerWaalsContact C-N 3.28Å; N235-E237 WeakPolarHBondContact CA-OE2 3.31Å; N235-E237 HydrophobicContact CB-CB 4.44Å; N235-E237 PolarHBondContact N-OE2 3.48Å; N235-E237 PolarHBondContact O-N 3.44Å
238R97.9Very high97.6Very high149 Ų14982 Ų8256%0.56244%0.435SS*.EExtended strand (participates in β ladder)trans-123.1156.7-178.2-60.8-179.7-68.4171.66.6110.9T231 T232T231-R238 CarbonylContact C-O 3.54Å; T231-R238 WeakPolarHBondContact CA-O 3.44Å; T231-R238 WeakPolarHBondContact CB-O 3.45Å; T232-R238 HydrophobicContact CG2-CB 4.1Å; T232-R238 PolarHBondContact N-O 3.42Å; T232-R238 WeakPolarHBondContact O-CB 3.45Å; T232-R238 PolarHBondContact O-N 2.94Å
239C98.2Very high97.5Very high107 Ų10779.8 Ų79.872%0.72343%0.429SS*.EExtended strand (participates in β ladder)trans-81.5150171.4-58.50000111
240L97.1Very high97.5Very high92 Ų9275.5 Ų75.548%0.48241%0.414SS..  trans-62.5146.5165.2-71.4171.2000110.6H230 T232H230-L240 HydrophobicContact CB-CD1 4.44Å; H230-L240 PolarHBondContact O-N 3.01Å; T232-L240 HydrophobicContact CG2-CD2 4.12Å
241P92.7Very high97.5Very high196 Ų19668.5 Ų68.5100%1.27339%0.387SS*.  trans-62.10177.5-21.233.1000114.5

Retrieved 241 of 241 residues in 469.6 ms (Link to these results)

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