A0A5K4F519_SCHMA Loading...

Putative anosmin

AlphaFold DB , UniProt , Accession A0A5K4F519, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 799 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
1M55.6Low60Low222 Ų222146.7 Ų146.7100%1.09469%0.686SS**  0-47.50-91.5179.4163.700114.8M3 N4M1-M3 VanDerWaalsContact C-N 3.35Å; M1-M3 PolarHBondContact O-N 3.2Å; M1-N4 PolarHBondContact O-N 2.88Å
2K53.8Low60.6Low192 Ų192148.2 Ų148.284%0.83568%0.682SS**Hα-helixtrans-58.4-36.3-178-91.6179.4174.7177.10115.1R5K2-R5 PolarHBondContact O-N 3.49Å
3M54.1Low61.6Low149 Ų149142.2 Ų142.273%0.73467%0.668SS**Hα-helixtrans-70.4-34.5-176.4-154.9153.783.800113.8M1 R5 L6 L7M1-M3 VanDerWaalsContact C-N 3.35Å; M1-M3 PolarHBondContact O-N 3.2Å; M3-R5 VanDerWaalsContact C-N 3.34Å; M3-R5 PolarHBondContact O-N 2.74Å; M3-L6 PolarHBondContact O-N 3.25Å; M3-L7 PolarHBondContact O-N 3.32Å
4N61.4Low62.6Low125 Ų125142.9 Ų142.967%0.66867%0.668SS**Hα-helixtrans-68.3-32177.1-83.1-4.2000112.7M1 H8M1-N4 PolarHBondContact O-N 2.88Å; N4-H8 PolarHBondContact O-N 3.06Å; N4-H8 VanDerWaalsContact O-N 3.1Å
5R60.3Low63.7Low204 Ų204144.4 Ų144.477%0.7767%0.671SS**Hα-helixtrans-67-37.7176.3-112.7-178.7-179.8179.20.5112.2K2 M3 H8 N9K2-R5 PolarHBondContact O-N 3.49Å; M3-R5 VanDerWaalsContact C-N 3.34Å; M3-R5 PolarHBondContact O-N 2.74Å; R5-H8 PolarHBondContact O-N 2.68Å; R5-N9 PolarHBondContact O-N 2.99Å; R5-N9 VanDerWaalsContact O-N 3.08Å
6L57Low64.8Low112 Ų112142.6 Ų142.659%0.58667%0.667SS**Hα-helixtrans-66.1-46.1176.6-100.2135.7000112M3 H8 N9 I10M3-L6 PolarHBondContact O-N 3.25Å; L6-H8 VanDerWaalsContact C-N 3.31Å; L6-H8 PolarHBondContact O-N 2.86Å; L6-N9 PolarHBondContact O-N 3.04Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 2.88Å
7L61.4Low65.7Low97 Ų97138.2 Ų138.251%0.50865%0.652SS.*Hα-helixtrans-62.5-36.4176.6-88.4149.6000112.8M3 R11M3-L7 PolarHBondContact O-N 3.32Å; L7-R11 PolarHBondContact O-N 3.34Å; L7-R11 VanDerWaalsContact O-N 3.11Å
8H60.7Low66.7Low120 Ų120136.5 Ų136.556%0.55665%0.647SS**Hα-helixtrans-68.4-42.2176-121.537.8000112.5N4 R5 L6 I10 R11 Y12N4-H8 PolarHBondContact O-N 3.06Å; N4-H8 VanDerWaalsContact O-N 3.1Å; R5-H8 PolarHBondContact O-N 2.68Å; L6-H8 VanDerWaalsContact C-N 3.31Å; L6-H8 PolarHBondContact O-N 2.86Å; H8-I10 PolarHBondContact O-N 3.41Å; H8-R11 PolarHBondContact O-N 3.11Å; H8-Y12 PolarHBondContact O-N 3.07Å
9N62Low67.8Low115 Ų115135.2 Ų135.262%0.61564%0.644SS**Hα-helixtrans-64.6-39176.2-80.4-10000112.4R5 L6 Y12 S13R5-N9 PolarHBondContact O-N 2.99Å; R5-N9 VanDerWaalsContact O-N 3.08Å; L6-N9 PolarHBondContact O-N 3.04Å; N9-Y12 PolarHBondContact O-N 3.29Å; N9-S13 WeakPolarHBondContact O-CB 3.39Å; N9-S13 PolarHBondContact O-N 3.39Å
10I67.4Low68.7Low94 Ų94133.8 Ų133.848%0.48264%0.64SS.*Hα-helixtrans-65.6-43177-66.6164.7000110.8L6 H8 S13 F14L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 2.88Å; H8-I10 PolarHBondContact O-N 3.41Å; I10-S13 PolarHBondContact O-N 3.01Å; I10-F14 HydrophobicContact CG2-CD2 4.5Å; I10-F14 PolarHBondContact O-N 2.7Å
11R66.4Low69.5Low184 Ų184132.2 Ų132.269%0.69463%0.634SS**Hα-helixtrans-64.8-38.5176.5-84.6-174.5173.6-179.8-0.7112.9L7 H8 K15L7-R11 PolarHBondContact O-N 3.34Å; L7-R11 VanDerWaalsContact O-N 3.11Å; H8-R11 PolarHBondContact O-N 3.11Å; R11-K15 PolarHBondContact O-N 3.46Å; R11-K15 VanDerWaalsContact O-N 3.09Å
12Y67.3Low71Confident164 Ų164127.8 Ų127.864%0.64361%0.611SS**Hα-helixtrans-67.3-41.7175.5-101.7-85.7000111.9H8 N9 F14 K15 L16H8-Y12 PolarHBondContact O-N 3.07Å; N9-Y12 PolarHBondContact O-N 3.29Å; Y12-F14 PolarHBondContact O-N 3.34Å; Y12-K15 PolarHBondContact O-N 2.88Å; Y12-L16 WeakPolarHBondContact O-CB 3.32Å; Y12-L16 PolarHBondContact O-N 2.82Å
13S74Confident72.8Confident71 Ų71122.5 Ų122.550%0.49759%0.594SS.*Hα-helixtrans-61.2-43.6176.5-179.10000111.7N9 I10 L16 T17N9-S13 WeakPolarHBondContact O-CB 3.39Å; N9-S13 PolarHBondContact O-N 3.39Å; I10-S13 PolarHBondContact O-N 3.01Å; S13-L16 PolarHBondContact O-N 3.48Å; S13-T17 WeakPolarHBondContact O-CG2 3.43Å; S13-T17 PolarHBondContact O-N 3.21Å; S13-T17 PolarHBondContact O-OG1 3.37Å; S13-T17 VanDerWaalsContact O-OG1 3.12Å
14F75.1Confident74.3Confident152 Ų152120 Ų12067%0.66758%0.583SS**Hα-helixtrans-65.8-38.2176.6-110.7-85.1000113.7I10 Y12 T17 L18I10-F14 HydrophobicContact CG2-CD2 4.5Å; I10-F14 PolarHBondContact O-N 2.7Å; Y12-F14 PolarHBondContact O-N 3.34Å; F14-T17 WeakPolarHBondContact CA-OG1 3.35Å; F14-T17 PolarHBondContact O-OG1 2.84Å; F14-L18 WeakPolarHBondContact O-CB 3.49Å; F14-L18 PolarHBondContact O-N 2.65Å; F14-L18 VanDerWaalsContact O-N 3.13Å
15K78.8Confident75.4Confident165 Ų165117.9 Ų117.972%0.71758%0.575SS**Hα-helixtrans-67-39.4174.9-85.3-172.4172.4-171.70111.9R11 Y12 L19R11-K15 PolarHBondContact O-N 3.46Å; R11-K15 VanDerWaalsContact O-N 3.09Å; Y12-K15 PolarHBondContact O-N 2.88Å; K15-L19 WeakPolarHBondContact O-CB 3.25Å; K15-L19 PolarHBondContact O-N 3.3Å
16L81.1Confident76.3Confident115 Ų115113.6 Ų113.660%0.60257%0.567SS**Hα-helixtrans-67.8-41.3-180-161.577.3000111.4Y12 S13 L19 L20Y12-L16 WeakPolarHBondContact O-CB 3.32Å; Y12-L16 PolarHBondContact O-N 2.82Å; S13-L16 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 2.97Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 PolarHBondContact O-N 3.32Å
17T80.5Confident77.3Confident68 Ų68113 Ų11342%0.41756%0.563SS.*Hα-helixtrans-66.6-39.7176.849.30000112.2S13 F14 L20 I21S13-T17 WeakPolarHBondContact O-CG2 3.43Å; S13-T17 PolarHBondContact O-N 3.21Å; S13-T17 PolarHBondContact O-OG1 3.37Å; S13-T17 VanDerWaalsContact O-OG1 3.12Å; F14-T17 WeakPolarHBondContact CA-OG1 3.35Å; F14-T17 PolarHBondContact O-OG1 2.84Å; T17-L20 PolarHBondContact O-N 3.21Å; T17-I21 VanDerWaalsContact O-CG1 3.29Å; T17-I21 WeakPolarHBondContact O-CG1 3.42Å; T17-I21 PolarHBondContact O-N 2.95Å
18L84Confident77.9Confident108 Ų108112.6 Ų112.657%0.56556%0.561SS**Hα-helixtrans-64-42.5176.3-157.579000111.8F14 L20 I21 E22F14-L18 WeakPolarHBondContact O-CB 3.49Å; F14-L18 PolarHBondContact O-N 2.65Å; F14-L18 VanDerWaalsContact O-N 3.13Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.41Å; L18-I21 PolarHBondContact O-N 3.4Å; L18-E22 PolarHBondContact O-N 3.37Å
19L86.5Confident78.4Confident112 Ų112110.5 Ų110.559%0.58656%0.556SS**Hα-helixtrans-64.4-38.9177.1-153.5103.1000111.8K15 L16 E22 V23K15-L19 WeakPolarHBondContact O-CB 3.25Å; K15-L19 PolarHBondContact O-N 3.3Å; L16-L19 PolarHBondContact O-N 2.97Å; L19-E22 PolarHBondContact O-N 3.33Å; L19-V23 WeakPolarHBondContact O-CG2 3.12Å; L19-V23 PolarHBondContact O-N 3.38Å
20L86.1Confident78.6Confident106 Ų106108.4 Ų108.456%0.55554%0.544SS*.Hα-helixtrans-63.8-41.4176-117.6137.2000111.6L16 T17 L18 V23 L24L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 PolarHBondContact O-N 3.32Å; T17-L20 PolarHBondContact O-N 3.21Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.41Å; L20-V23 PolarHBondContact O-N 2.98Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.17Å
21I86.4Confident78.3Confident102 Ų102107.9 Ų107.952%0.52355%0.545SS..Hα-helixtrans-64.9-44.4176.6-68.7163.8000110.6T17 L18 V23 L24 V25T17-I21 VanDerWaalsContact O-CG1 3.29Å; T17-I21 WeakPolarHBondContact O-CG1 3.42Å; T17-I21 PolarHBondContact O-N 2.95Å; L18-I21 PolarHBondContact O-N 3.4Å; I21-V23 PolarHBondContact O-N 3.38Å; I21-L24 PolarHBondContact O-N 3.15Å; I21-V25 HydrophobicContact CG2-CG2 4.37Å; I21-V25 WeakPolarHBondContact O-CG2 3.05Å; I21-V25 PolarHBondContact O-N 2.04Å
22E87.6Confident77.5Confident129 Ų129106.1 Ų106.160%0.60354%0.544SS*.Hα-helixtrans-61.6-43.1177-76.2-164.6172.800112.2L18 L19 L24 V25 L26L18-E22 PolarHBondContact O-N 3.37Å; L19-E22 PolarHBondContact O-N 3.33Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.43Å; E22-V25 PolarHBondContact O-N 3.21Å; E22-L26 WeakPolarHBondContact O-CB 3.29Å; E22-L26 PolarHBondContact O-N 2.86Å
23V89.9Confident76.7Confident80 Ų80103 Ų10349%0.48555%0.546SS..Hα-helixtrans-63.2-39175.7171.70000111.5L19 L20 I21 L26 L27L19-V23 WeakPolarHBondContact O-CG2 3.12Å; L19-V23 PolarHBondContact O-N 3.38Å; L20-V23 PolarHBondContact O-N 2.98Å; I21-V23 PolarHBondContact O-N 3.38Å; V23-L26 PolarHBondContact O-N 3.34Å; V23-L27 HydrophobicContact CG1-CD1 3.99Å; V23-L27 WeakPolarHBondContact O-CB 3.17Å; V23-L27 WeakPolarHBondContact O-CG 3.37Å; V23-L27 PolarHBondContact O-N 2.86Å
24L86.7Confident75.3Confident96 Ų96106.5 Ų106.550%0.50355%0.554SS.*Hα-helixtrans-67.3-42.5178.1-130.4148.3000111.6L20 I21 E22 L27 I28L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.17Å; I21-L24 PolarHBondContact O-N 3.15Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.43Å; L24-L27 PolarHBondContact O-N 3.48Å; L24-I28 HydrophobicContact CD2-CD1 3.85Å; L24-I28 HydrophobicContact CD2-CG1 4.41Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.43Å; L24-I28 PolarHBondContact O-N 3.35Å
25V83.3Confident73.6Confident81 Ų81104.1 Ų104.149%0.49155%0.548SS..Hα-helixtrans-64-42.8174173.20000110.4I21 E22 L27 I28 V29I21-V25 HydrophobicContact CG2-CG2 4.37Å; I21-V25 WeakPolarHBondContact O-CG2 3.05Å; I21-V25 PolarHBondContact O-N 2.04Å; E22-V25 PolarHBondContact O-N 3.21Å; V25-L27 VanDerWaalsContact C-N 3.34Å; V25-L27 PolarHBondContact O-N 2.84Å; V25-I28 PolarHBondContact O-N 2.89Å; V25-V29 HydrophobicContact CG1-CG2 4.32Å; V25-V29 WeakPolarHBondContact O-CB 3.17Å; V25-V29 VanDerWaalsContact O-CG2 3.27Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 2.9Å
26L81.1Confident71.7Confident115 Ų11599.1 Ų99.160%0.60253%0.533SS*.Hα-helixtrans-61.8-42.9176.9-140.797.1000111.4E22 V23 V29 I30E22-L26 WeakPolarHBondContact O-CB 3.29Å; E22-L26 PolarHBondContact O-N 2.86Å; V23-L26 PolarHBondContact O-N 3.34Å; L26-V29 PolarHBondContact O-N 2.84Å; L26-I30 HydrophobicContact CD2-CD1 4.04Å; L26-I30 HydrophobicContact CG-CD1 4.39Å; L26-I30 WeakPolarHBondContact O-CB 3.12Å; L26-I30 WeakPolarHBondContact O-CD1 3.35Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 2.83Å
27L77.7Confident69.9Low99 Ų99100.1 Ų100.152%0.51854%0.538SS..Hα-helixtrans-62.8-43.5175.2-81.4164.6000111.8V23 L24 V25 I30 V31V23-L27 HydrophobicContact CG1-CD1 3.99Å; V23-L27 WeakPolarHBondContact O-CB 3.17Å; V23-L27 WeakPolarHBondContact O-CG 3.37Å; V23-L27 PolarHBondContact O-N 2.86Å; L24-L27 PolarHBondContact O-N 3.48Å; V25-L27 VanDerWaalsContact C-N 3.34Å; V25-L27 PolarHBondContact O-N 2.84Å; L27-I30 PolarHBondContact O-N 2.85Å; L27-V31 WeakPolarHBondContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.39Å; L27-V31 PolarHBondContact O-N 2.79Å
28I73.4Confident68.1Low88 Ų88102.8 Ų102.845%0.45155%0.55SS..Hα-helixtrans-63.1-43.3176.9-68.5164.2000110.6L24 V25 V31 H32L24-I28 HydrophobicContact CD2-CD1 3.85Å; L24-I28 HydrophobicContact CD2-CG1 4.41Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.43Å; L24-I28 PolarHBondContact O-N 3.35Å; V25-I28 PolarHBondContact O-N 2.89Å; I28-V31 PolarHBondContact O-N 2.85Å; I28-H32 WeakPolarHBondContact O-CB 3.49Å; I28-H32 PolarHBondContact O-N 3.3Å; I28-H32 PolarHBondContact O-ND1 3.38Å
29V71Confident66Low77 Ų77102.2 Ų102.247%0.46755%0.546SS..Hα-helixtrans-65.3-41.7177.6171.70000111.1V25 L26 H32 C33V25-V29 HydrophobicContact CG1-CG2 4.32Å; V25-V29 WeakPolarHBondContact O-CB 3.17Å; V25-V29 VanDerWaalsContact O-CG2 3.27Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 2.9Å; L26-V29 PolarHBondContact O-N 2.84Å; V29-H32 PolarHBondContact O-N 2.97Å; V29-C33 WeakPolarHBondContact O-CB 3.5Å; V29-C33 PolarHBondContact O-N 2.87Å; V29-C33 PolarHBondContact O-SG 2.84Å; V29-C33 VanDerWaalsContact O-SG 3.36Å
30I65.9Low64.1Low71 Ų7199 Ų9936%0.36453%0.534SS..Hα-helixtrans-64-45175.7-68.8163.4000110L26 L27 H32 C33 Q34L26-I30 HydrophobicContact CD2-CD1 4.04Å; L26-I30 HydrophobicContact CG-CD1 4.39Å; L26-I30 WeakPolarHBondContact O-CB 3.12Å; L26-I30 WeakPolarHBondContact O-CD1 3.35Å; L26-I30 WeakPolarHBondContact O-CG1 3.4Å; L26-I30 PolarHBondContact O-N 2.83Å; L27-I30 PolarHBondContact O-N 2.85Å; I30-H32 PolarHBondContact O-N 3.42Å; I30-C33 PolarHBondContact O-N 2.83Å; I30-Q34 HydrophobicContact CG2-CG 4.15Å; I30-Q34 WeakPolarHBondContact O-CA 3.44Å; I30-Q34 WeakPolarHBondContact O-CB 3.45Å; I30-Q34 WeakPolarHBondContact O-CG 3.15Å; I30-Q34 PolarHBondContact O-N 2.82Å
31V61.4Low62.5Low82 Ų8296.3 Ų96.350%0.49752%0.522SS..Hα-helixtrans-63.9-42178.1171.90000111.4L27 I28 L35L27-V31 WeakPolarHBondContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.39Å; L27-V31 PolarHBondContact O-N 2.79Å; I28-V31 PolarHBondContact O-N 2.85Å; V31-L35 PolarHBondContact O-N 2.84Å; V31-L35 VanDerWaalsContact O-N 3.16Å
32H50.4Low61.2Low147 Ų14794.4 Ų94.468%0.68152%0.517SS*.Hα-helixtrans-76.8-31.4179.8-82.256.3000113.6I28 V29 I30I28-H32 WeakPolarHBondContact O-CB 3.49Å; I28-H32 PolarHBondContact O-N 3.3Å; I28-H32 PolarHBondContact O-ND1 3.38Å; V29-H32 PolarHBondContact O-N 2.97Å; I30-H32 PolarHBondContact O-N 3.42Å
33C49.6Very low59.9Low100 Ų10096.5 Ų96.568%0.67652%0.52SS*.Hα-helixtrans-84.2-26.8176.6-69.40000112.8V29 I30V29-C33 WeakPolarHBondContact O-CB 3.5Å; V29-C33 PolarHBondContact O-N 2.87Å; V29-C33 PolarHBondContact O-SG 2.84Å; V29-C33 VanDerWaalsContact O-SG 3.36Å; I30-C33 PolarHBondContact O-N 2.83Å
34Q44.1Very low59.1Low143 Ų14397.9 Ų97.967%0.66852%0.522SS*.Hα-helixtrans-93.5-5.8178.4-65.6-164.1-28.200114.5I30 P36I30-Q34 HydrophobicContact CG2-CG 4.15Å; I30-Q34 WeakPolarHBondContact O-CA 3.44Å; I30-Q34 WeakPolarHBondContact O-CB 3.45Å; I30-Q34 WeakPolarHBondContact O-CG 3.15Å; I30-Q34 PolarHBondContact O-N 2.82Å; Q34-P36 WeakPolarHBondContact O-CD 3.05Å
35L40.5Very low58.8Low103 Ų10396.2 Ų96.254%0.53951%0.512SS..SBendtrans-99.385.5157.9-96.178.7000109.3V31 N37V31-L35 PolarHBondContact O-N 2.84Å; V31-L35 VanDerWaalsContact O-N 3.16Å; L35-N37 PolarHBondContact O-N 3.25Å
36P39Very low58.5Low60 Ų6097.2 Ų97.239%0.3951%0.511SS..  trans-49132.7157.6-14.620.2000108Q34 D38 I39Q34-P36 WeakPolarHBondContact O-CD 3.05Å; P36-D38 HydrophobicContact CB-CB 4.29Å; P36-D38 PolarHBondContact O-N 3.15Å; P36-I39 HydrophobicContact CB-CG1 4.47Å; P36-I39 HydrophobicContact CG-CD1 4.16Å; P36-I39 HydrophobicContact CG-CG1 4.2Å; P36-I39 PolarHBondContact O-N 3.48Å
37N43.4Very low58.6Low135 Ų13593.7 Ų93.772%0.72249%0.49SS*.Hα-helixtrans-47.5-29.5172.3-78-33.5000111.7L35 I39 S40 T41L35-N37 PolarHBondContact O-N 3.25Å; N37-I39 VanDerWaalsContact C-N 3.32Å; N37-I39 PolarHBondContact O-N 3.03Å; N37-S40 WeakPolarHBondContact O-CB 3.19Å; N37-S40 PolarHBondContact O-N 3.21Å; N37-S40 VanDerWaalsContact O-N 3.11Å; N37-S40 PolarHBondContact O-OG 2.91Å; N37-T41 PolarHBondContact O-N 3.16Å; N37-T41 PolarHBondContact O-OG1 3.35Å
38D43Very low59.2Low124 Ų12489.4 Ų89.466%0.66347%0.467SS*.Hα-helixtrans-56-36.1175-69.4-30.6000114.7P36 S40 T41 S42P36-D38 HydrophobicContact CB-CB 4.29Å; P36-D38 PolarHBondContact O-N 3.15Å; D38-S40 VanDerWaalsContact C-N 3.34Å; D38-T41 VanDerWaalsContact CA-OG1 3.27Å; D38-T41 WeakPolarHBondContact CA-OG1 3.48Å; D38-T41 PolarHBondContact O-N 3.25Å; D38-T41 PolarHBondContact O-OG1 3.17Å; D38-S42 VanDerWaalsContact O-CB 3.3Å; D38-S42 WeakPolarHBondContact O-CB 3.48Å; D38-S42 PolarHBondContact O-N 3.41Å
39I38.6Very low59.9Low96 Ų9686.8 Ų86.849%0.49245%0.453SS..Hα-helixtrans-66.9-42.6177.5-57.1-177000109.5P36 N37 S42 W43P36-I39 HydrophobicContact CB-CG1 4.47Å; P36-I39 HydrophobicContact CG-CD1 4.16Å; P36-I39 HydrophobicContact CG-CG1 4.2Å; P36-I39 PolarHBondContact O-N 3.48Å; N37-I39 VanDerWaalsContact C-N 3.32Å; N37-I39 PolarHBondContact O-N 3.03Å; I39-S42 PolarHBondContact O-N 2.83Å; I39-W43 WeakPolarHBondContact O-CB 3.28Å; I39-W43 PolarHBondContact O-N 3.34Å
40S46.7Very low60.6Low46 Ų4683.7 Ų83.732%0.32244%0.435SS..Hα-helixtrans-64.7-41.5178.479.50000111.6N37 D38 M44N37-S40 WeakPolarHBondContact O-CB 3.19Å; N37-S40 PolarHBondContact O-N 3.21Å; N37-S40 VanDerWaalsContact O-N 3.11Å; N37-S40 PolarHBondContact O-OG 2.91Å; D38-S40 VanDerWaalsContact C-N 3.34Å; S40-M44 WeakPolarHBondContact O-CB 3.23Å; S40-M44 VanDerWaalsContact O-CG 3.25Å; S40-M44 WeakPolarHBondContact O-CG 3.06Å; S40-M44 PolarHBondContact O-N 3.18Å
41T53.1Low61.8Low49 Ų4983.6 Ų83.630%0.30143%0.43SS..Hα-helixtrans-69-40.1178.652.30000111.9N37 D38 M44 E45N37-T41 PolarHBondContact O-N 3.16Å; N37-T41 PolarHBondContact O-OG1 3.35Å; D38-T41 VanDerWaalsContact CA-OG1 3.27Å; D38-T41 WeakPolarHBondContact CA-OG1 3.48Å; D38-T41 PolarHBondContact O-N 3.25Å; D38-T41 PolarHBondContact O-OG1 3.17Å; T41-M44 HydrophobicContact CG2-CE 4.07Å; T41-M44 PolarHBondContact O-N 3Å; T41-E45 PolarHBondContact O-N 2.7Å
42S58.2Low63.3Low61 Ų6179.7 Ų79.743%0.42741%0.407SS..Hα-helixtrans-60.8-48.5175.8-1700000111D38 I39 M44 E45 E46D38-S42 VanDerWaalsContact O-CB 3.3Å; D38-S42 WeakPolarHBondContact O-CB 3.48Å; D38-S42 PolarHBondContact O-N 3.41Å; I39-S42 PolarHBondContact O-N 2.83Å; S42-M44 VanDerWaalsContact C-N 3.34Å; S42-M44 PolarHBondContact O-N 3.09Å; S42-E45 PolarHBondContact O-N 3.13Å; S42-E46 WeakPolarHBondContact O-CG 3.36Å; S42-E46 PolarHBondContact O-N 3.26Å
43W62Low65.1Low174 Ų17474 Ų7466%0.65938%0.379SS*.Hα-helixtrans-64.1-38.3178.7-174.374.1000112.5I39 E46 R47I39-W43 WeakPolarHBondContact O-CB 3.28Å; I39-W43 PolarHBondContact O-N 3.34Å; W43-E46 PolarHBondContact O-N 2.88Å; W43-R47 WeakPolarHBondContact O-CB 3.36Å; W43-R47 PolarHBondContact O-N 3.3Å
44M73.4Confident67.1Low108 Ų10869.2 Ų69.253%0.53235%0.347SS..Hα-helixtrans-63.3-39.6174.4-76.7-171.3-67.400112.5S40 T41 S42 L48S40-M44 WeakPolarHBondContact O-CB 3.23Å; S40-M44 VanDerWaalsContact O-CG 3.25Å; S40-M44 WeakPolarHBondContact O-CG 3.06Å; S40-M44 PolarHBondContact O-N 3.18Å; T41-M44 HydrophobicContact CG2-CE 4.07Å; T41-M44 PolarHBondContact O-N 3Å; S42-M44 VanDerWaalsContact C-N 3.34Å; S42-M44 PolarHBondContact O-N 3.09Å; M44-L48 WeakPolarHBondContact O-CB 3.07Å; M44-L48 PolarHBondContact O-N 2.77Å
45E78.7Confident69.4Low62 Ų6263.4 Ų63.429%0.2932%0.319SS..Hα-helixtrans-70.1-42.8176.2-74.3-166.4176.400112.3T41 S42 R47 L48 F49 R292 F304T41-E45 PolarHBondContact O-N 2.7Å; S42-E45 PolarHBondContact O-N 3.13Å; E45-R47 VanDerWaalsContact C-N 3.34Å; E45-R47 PolarHBondContact O-N 3.03Å; E45-L48 WeakPolarHBondContact O-CA 2.94Å; E45-L48 WeakPolarHBondContact O-CB 3.34Å; E45-L48 PolarHBondContact O-N 3.28Å; E45-L48 VanDerWaalsContact O-N 3.08Å; E45-F49 HydrophobicContact CB-CE2 4.29Å; E45-F49 WeakPolarHBondContact O-CD2 3.2Å; E45-F49 WeakPolarHBondContact O-CG 3.46Å; E45-F49 PolarHBondContact O-N 2.81Å; E45-R292 IonicContact OE1-CZ 2.78Å; E45-R292 IonicContact OE1-NH2 3.54Å; E45-R292 PolarHBondContact OE1-NH2 3.33Å; E45-F304 HydrophobicContact CG-CE2 4.44Å
46E77.1Confident71.9Confident101 Ų10158.5 Ų58.547%0.47229%0.294SS..Hα-helixtrans-57.5-47.4174.7-76174.4-172.500111.5S42 W43 L48 F49 A50S42-E46 WeakPolarHBondContact O-CG 3.36Å; S42-E46 PolarHBondContact O-N 3.26Å; W43-E46 PolarHBondContact O-N 2.88Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.36Å; E46-F49 PolarHBondContact O-N 2.78Å; E46-A50 PolarHBondContact O-N 2.91Å
47R84.5Confident74.2Confident42 Ų4257 Ų5716%0.15828%0.282CS..Hα-helixtrans-59.8-40174.9175.758.3-174.1123.812.5111.4W43 E45 A50 R51 C104 D105 L106W43-R47 WeakPolarHBondContact O-CB 3.36Å; W43-R47 PolarHBondContact O-N 3.3Å; E45-R47 VanDerWaalsContact C-N 3.34Å; E45-R47 PolarHBondContact O-N 3.03Å; R47-A50 PolarHBondContact O-N 3.11Å; R47-R51 VanDerWaalsContact O-CG 3.29Å; R47-R51 WeakPolarHBondContact O-CG 3.2Å; R47-R51 PolarHBondContact O-N 3.04Å; R47-C104 PolarHBondContact NH1-O 2.8Å; R47-C104 PolarHBondContact NH2-O 2.83Å; R47-C104 VanDerWaalsContact NH2-O 3.12Å; R47-D105 VanDerWaalsContact NH2-C 3.25Å; R47-D105 PolarHBondContact NH2-O 3.48Å; R47-L106 PolarHBondContact NH2-O 2.86Å
48L88.4Confident76.5Confident9 Ų950.5 Ų50.55%0.04725%0.248CC..Hα-helixtrans-64-39.9178.1-172.267.1000112.2M44 E45 E46 R51 A52 I248 T269 M272 F304M44-L48 WeakPolarHBondContact O-CB 3.07Å; M44-L48 PolarHBondContact O-N 2.77Å; E45-L48 WeakPolarHBondContact O-CA 2.94Å; E45-L48 WeakPolarHBondContact O-CB 3.34Å; E45-L48 PolarHBondContact O-N 3.28Å; E45-L48 VanDerWaalsContact O-N 3.08Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.36Å; L48-R51 WeakPolarHBondContact O-CB 3.37Å; L48-R51 PolarHBondContact O-N 2.96Å; L48-A52 PolarHBondContact O-N 2.94Å; L48-I248 HydrophobicContact CD2-CD1 4.47Å; L48-I248 HydrophobicContact CD2-CG2 3.67Å; L48-I248 HydrophobicContact CG-CD1 4.08Å; L48-I248 HydrophobicContact CG-CG2 4.13Å; L48-T269 HydrophobicContact CD1-CG2 4.18Å; L48-T269 WeakPolarHBondContact CD2-OG1 3.33Å; L48-M272 HydrophobicContact CD1-CE 3.62Å; L48-M272 HydrophobicContact CG-CE 4.31Å; L48-F304 HydrophobicContact CD2-CZ 4.14Å
49F88.7Confident78.7Confident33 Ų3345.5 Ų45.515%0.14522%0.221CC..Hα-helixtrans-68.8-38.6174.4-63.3-45000112.5E45 E46 R51 A52 R53 I248 A294 V296 T301 F304E45-F49 HydrophobicContact CB-CE2 4.29Å; E45-F49 WeakPolarHBondContact O-CD2 3.2Å; E45-F49 WeakPolarHBondContact O-CG 3.46Å; E45-F49 PolarHBondContact O-N 2.81Å; E46-F49 PolarHBondContact O-N 2.78Å; F49-R51 VanDerWaalsContact C-N 3.32Å; F49-R51 PolarHBondContact O-N 2.89Å; F49-A52 PolarHBondContact O-N 3.06Å; F49-R53 WeakPolarHBondContact O-CG 3.47Å; F49-R53 PolarHBondContact O-N 2.76Å; F49-I248 HydrophobicContact CD1-CD1 3.58Å; F49-I248 HydrophobicContact CE1-CD1 3.88Å; F49-A294 HydrophobicContact CE1-CB 3.91Å; F49-V296 HydrophobicContact CD1-CG2 4.07Å; F49-T301 HydrophobicContact CB-CG2 4.21Å; F49-T301 HydrophobicContact CD1-CG2 3.66Å; F49-T301 HydrophobicContact CD2-CG2 3.98Å; F49-T301 HydrophobicContact CE1-CG2 3.95Å; F49-T301 HydrophobicContact CE2-CG2 4.25Å; F49-T301 HydrophobicContact CG-CG2 3.68Å; F49-T301 HydrophobicContact CZ-CG2 4.23Å; F49-F304 HydrophobicContact CE1-CD2 4.31Å; F49-F304 AromaticContact CE1-CE2 3.77Å; F49-F304 HydrophobicContact CE1-CE2 3.77Å; F49-F304 HydrophobicContact CE1-CZ 4.01Å; F49-F304 HydrophobicContact CE2-CE2 4.49Å; F49-F304 AromaticContact CZ-CD2 3.78Å; F49-F304 HydrophobicContact CZ-CD2 3.78Å; F49-F304 AromaticContact CZ-CE2 3.46Å; F49-F304 HydrophobicContact CZ-CE2 3.46Å; F49-F304 VanDerWaalsContact CZ-CE2 3.46Å; F49-F304 HydrophobicContact CZ-CZ 4.18Å
50A85.9Confident81.1Confident11 Ų1143.7 Ų43.79%0.09121%0.208CC..Hα-helixtrans-59.6-42.417400000111.8E46 R47 A52 R53 C54 I129E46-A50 PolarHBondContact O-N 2.91Å; R47-A50 PolarHBondContact O-N 3.11Å; A50-A52 PolarHBondContact O-N 2.82Å; A50-R53 PolarHBondContact O-N 3.03Å; A50-C54 WeakPolarHBondContact O-CB 3.32Å; A50-C54 PolarHBondContact O-N 3.35Å; A50-I129 HydrophobicContact CB-CD1 4.26Å; A50-I129 WeakPolarHBondContact O-CD1 3.45Å
51R91.4Very high83Confident70 Ų7041.8 Ų41.826%0.26419%0.194SC..Hα-helixtrans-57.2-49173.7-68.316959.9-173.30.3111.6R47 L48 F49 C54 K55 C104 D105 M272R47-R51 VanDerWaalsContact O-CG 3.29Å; R47-R51 WeakPolarHBondContact O-CG 3.2Å; R47-R51 PolarHBondContact O-N 3.04Å; L48-R51 WeakPolarHBondContact O-CB 3.37Å; L48-R51 PolarHBondContact O-N 2.96Å; F49-R51 VanDerWaalsContact C-N 3.32Å; F49-R51 PolarHBondContact O-N 2.89Å; R51-C54 PolarHBondContact O-N 3.4Å; R51-K55 WeakPolarHBondContact O-CG 3.28Å; R51-K55 PolarHBondContact O-N 3.25Å; R51-C104 WeakPolarHBondContact CG-O 3.28Å; R51-D105 IonicContact CZ-OD1 3.49Å; R51-D105 IonicContact NE-OD1 3.72Å; R51-D105 PolarHBondContact NE-OD1 2.5Å; R51-D105 VanDerWaalsContact NH2-CG 3.28Å; R51-D105 IonicContact NH2-OD1 2.81Å; R51-D105 PolarHBondContact NH2-OD1 3.01Å; R51-D105 IonicContact NH2-OD2 3.34Å; R51-M272 HydrophobicContact CB-CE 3.94Å; R51-M272 HydrophobicContact CB-SD 4.43Å
52A92.3Very high84.7Confident0 Ų040 Ų400%018%0.182CC..Hα-helixtrans-66.3-38.4-179.100000112.7L48 F49 A50 K55 A56 V246 I248 M272 V296L48-A52 PolarHBondContact O-N 2.94Å; F49-A52 PolarHBondContact O-N 3.06Å; A50-A52 PolarHBondContact O-N 2.82Å; A52-K55 PolarHBondContact O-N 3.42Å; A52-A56 PolarHBondContact O-N 2.92Å; A52-V246 HydrophobicContact CB-CB 4.28Å; A52-V246 HydrophobicContact CB-CG1 3.91Å; A52-I248 HydrophobicContact CB-CD1 3.78Å; A52-I248 HydrophobicContact CB-CG1 4.03Å; A52-M272 HydrophobicContact CB-CE 4.1Å; A52-M272 HydrophobicContact CB-SD 3.91Å; A52-V296 HydrophobicContact CB-CB 3.8Å; A52-V296 HydrophobicContact CB-CG1 3.86Å; A52-V296 HydrophobicContact CB-CG2 3.77Å
53R89.1Confident85.9Confident27 Ų2741.1 Ų41.110%0.10218%0.183CC..Hα-helixtrans-61.9-44.3173-73.4175.971-153.7-1.8111.8F49 A50 K55 A56 N57 T132 N135 P137 V296 S297 I298F49-R53 WeakPolarHBondContact O-CG 3.47Å; F49-R53 PolarHBondContact O-N 2.76Å; A50-R53 PolarHBondContact O-N 3.03Å; R53-K55 PolarHBondContact O-N 3.09Å; R53-A56 WeakPolarHBondContact O-CB 3.49Å; R53-A56 PolarHBondContact O-N 2.59Å; R53-N57 PolarHBondContact O-N 3.11Å; R53-N57 PolarHBondContact O-ND2 3.16Å; R53-T132 HydrophobicContact CB-CG2 3.47Å; R53-T132 VanDerWaalsContact CB-CG2 3.47Å; R53-T132 HydrophobicContact CG-CG2 4.36Å; R53-T132 PolarHBondContact NH1-O 3.02Å; R53-T132 VanDerWaalsContact NH1-O 3.1Å; R53-N135 PolarHBondContact NH2-O 2.94Å; R53-P137 VanDerWaalsContact NH1-CD 3.31Å; R53-V296 HydrophobicContact CB-CG1 4.38Å; R53-V296 HydrophobicContact CG-CG1 3.49Å; R53-V296 VanDerWaalsContact CG-CG1 3.49Å; R53-S297 WeakPolarHBondContact CG-O 3.19Å; R53-I298 PolarHBondContact NE-O 2.94Å
54C91.7Very high87Confident0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-58.9-45.7174.1174.90000111.6A50 R51 A56 N57 C58 C104 I129A50-C54 WeakPolarHBondContact O-CB 3.32Å; A50-C54 PolarHBondContact O-N 3.35Å; R51-C54 PolarHBondContact O-N 3.4Å; C54-A56 VanDerWaalsContact C-N 3.32Å; C54-A56 PolarHBondContact O-N 3.08Å; C54-N57 WeakPolarHBondContact O-CB 3.28Å; C54-N57 PolarHBondContact O-N 2.81Å; C54-N57 VanDerWaalsContact O-N 3.08Å; C54-C58 PolarHBondContact O-N 3.27Å; C54-C104 HydrophobicContact CB-CB 3.67Å; C54-C104 WeakPolarHBondContact CB-SG 2.96Å; C54-C104 WeakPolarHBondContact SG-CB 3.48Å; C54-C104 CovalentContact SG-SG 2.04Å; C54-C104 PolarHBondContact SG-SG 2.92Å; C54-I129 HydrophobicContact CB-CB 4.2Å; C54-I129 HydrophobicContact CB-CD1 3.57Å; C54-I129 HydrophobicContact CB-CG1 4.47Å
55K92.7Very high87.3Confident21 Ų2132.3 Ų32.39%0.09116%0.156CC..Hα-helixtrans-63-37.4176.2-68.3-174.9-170.5-172.10112.4R51 A52 R53 N57 C58 L59 F101 C104 D105 V246 M272R51-K55 WeakPolarHBondContact O-CG 3.28Å; R51-K55 PolarHBondContact O-N 3.25Å; A52-K55 PolarHBondContact O-N 3.42Å; R53-K55 PolarHBondContact O-N 3.09Å; K55-N57 VanDerWaalsContact C-N 3.34Å; K55-C58 PolarHBondContact O-N 3.06Å; K55-L59 PolarHBondContact O-N 3.04Å; K55-F101 HydrophobicContact CB-CD1 4.09Å; K55-F101 HydrophobicContact CB-CE1 4.23Å; K55-F101 HydrophobicContact CD-CD1 3.91Å; K55-F101 VanDerWaalsContact CE-O 3.3Å; K55-F101 WeakPolarHBondContact CE-O 3.28Å; K55-F101 HydrophobicContact CG-CD1 3.95Å; K55-F101 HydrophobicContact CG-CG 4.34Å; K55-C104 HydrophobicContact CG-CB 3.8Å; K55-C104 PolarHBondContact N-SG 2.77Å; K55-D105 VanDerWaalsContact CE-OD1 3.22Å; K55-D105 WeakPolarHBondContact CE-OD1 3.07Å; K55-D105 VanDerWaalsContact NZ-CG 3.29Å; K55-D105 IonicContact NZ-OD1 3.48Å; K55-D105 PolarHBondContact NZ-OD1 3.06Å; K55-D105 IonicContact NZ-OD2 3.14Å; K55-D105 PolarHBondContact NZ-OD2 2.79Å; K55-V246 HydrophobicContact CB-CG2 4.09Å; K55-M272 HydrophobicContact CD-CG 4.46Å; K55-M272 HydrophobicContact CD-SD 3.6Å; K55-M272 VanDerWaalsContact CD-SD 3.6Å
56A91Very high87.3Confident0 Ų036.8 Ų36.80%018%0.177CC..Hα-helixtrans-64-38.4172.600000112A52 R53 C54 L59 R60 P244 V246 I298A52-A56 PolarHBondContact O-N 2.92Å; R53-A56 WeakPolarHBondContact O-CB 3.49Å; R53-A56 PolarHBondContact O-N 2.59Å; C54-A56 VanDerWaalsContact C-N 3.32Å; C54-A56 PolarHBondContact O-N 3.08Å; A56-L59 WeakPolarHBondContact O-CB 3.44Å; A56-L59 PolarHBondContact O-N 2.95Å; A56-R60 PolarHBondContact O-N 2.8Å; A56-P244 WeakPolarHBondContact O-CG 3.37Å; A56-V246 HydrophobicContact CB-CG2 4Å; A56-I298 HydrophobicContact CB-CG2 3.77Å
57N89.1Confident87.5Confident27 Ų2734.1 Ų34.114%0.14416%0.164CC..Hα-helixtrans-66-42.3174.2-81.4-49.4000111.8R53 C54 K55 L59 R60 L61 L128 T132 I298R53-N57 PolarHBondContact O-N 3.11Å; R53-N57 PolarHBondContact O-ND2 3.16Å; C54-N57 WeakPolarHBondContact O-CB 3.28Å; C54-N57 PolarHBondContact O-N 2.81Å; C54-N57 VanDerWaalsContact O-N 3.08Å; K55-N57 VanDerWaalsContact C-N 3.34Å; N57-L59 PolarHBondContact O-N 2.88Å; N57-R60 PolarHBondContact O-N 2.89Å; N57-L61 VanDerWaalsContact O-CB 3.31Å; N57-L61 WeakPolarHBondContact O-CB 3.18Å; N57-L61 PolarHBondContact O-N 3.29Å; N57-L128 HydrophobicContact CB-CD1 4.02Å; N57-L128 HydrophobicContact CB-CD2 4.14Å; N57-L128 HydrophobicContact CB-CG 4.47Å; N57-T132 PolarHBondContact ND2-OG1 2.88Å; N57-I298 HydrophobicContact CB-CG2 4.32Å; N57-I298 WeakPolarHBondContact OD1-CB 3.23Å; N57-I298 WeakPolarHBondContact OD1-CG2 3.32Å
58C91Very high87.2Confident0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-56.6-50.1172.1-67.30000110.3C54 K55 R60 L61 F62 C100 F101 C104C54-C58 PolarHBondContact O-N 3.27Å; K55-C58 PolarHBondContact O-N 3.06Å; C58-R60 VanDerWaalsContact C-N 3.33Å; C58-R60 PolarHBondContact O-N 2.97Å; C58-L61 PolarHBondContact O-N 3.15Å; C58-F62 VanDerWaalsContact O-CD2 3.3Å; C58-F62 WeakPolarHBondContact O-CD2 3.45Å; C58-F62 PolarHBondContact O-N 2.85Å; C58-C100 HydrophobicContact CB-CB 3.95Å; C58-C100 WeakPolarHBondContact CB-SG 3.42Å; C58-C100 WeakPolarHBondContact SG-CB 3.11Å; C58-C100 CovalentContact SG-SG 2.05Å; C58-C100 PolarHBondContact SG-SG 2.78Å; C58-F101 HydrophobicContact CB-CD2 3.71Å; C58-F101 HydrophobicContact CB-CE2 3.84Å; C58-C104 VanDerWaalsContact SG-SG 3.7Å
59L89.8Confident86.7Confident19 Ų1938 Ų3810%0.09918%0.183CC..Hα-helixtrans-54.4-47176.8-80.1167.5000112.5K55 A56 N57 N63 F101 P244 V246 H274K55-L59 PolarHBondContact O-N 3.04Å; A56-L59 WeakPolarHBondContact O-CB 3.44Å; A56-L59 PolarHBondContact O-N 2.95Å; N57-L59 PolarHBondContact O-N 2.88Å; L59-N63 WeakPolarHBondContact O-CB 3.25Å; L59-N63 VanDerWaalsContact O-CG 3.24Å; L59-N63 PolarHBondContact O-N 3.13Å; L59-N63 PolarHBondContact O-ND2 2.78Å; L59-F101 HydrophobicContact CD1-CE1 4.39Å; L59-F101 HydrophobicContact CD1-CZ 3.94Å; L59-F101 HydrophobicContact CD2-CE1 4.49Å; L59-F101 HydrophobicContact CD2-CE2 4.05Å; L59-F101 HydrophobicContact CD2-CZ 3.44Å; L59-F101 VanDerWaalsContact CD2-CZ 3.44Å; L59-F101 HydrophobicContact CG-CE1 4.21Å; L59-F101 HydrophobicContact CG-CE2 3.91Å; L59-F101 HydrophobicContact CG-CZ 3.31Å; L59-P244 HydrophobicContact CB-CB 3.69Å; L59-P244 HydrophobicContact CB-CG 3.7Å; L59-P244 HydrophobicContact CD1-CB 4.01Å; L59-P244 HydrophobicContact CG-CB 4.44Å; L59-V246 HydrophobicContact CD1-CG2 4Å; L59-H274 HydrophobicContact CD1-CB 3.92Å
60R88.6Confident86.2Confident58 Ų5838.7 Ų38.722%0.21920%0.195CC..Hα-helixtrans-65.2-46.3-178.5-168.3-179.672.4157.713111.1A56 N57 C58 F62 N63 N64 E67 M242 P244 I298A56-R60 PolarHBondContact O-N 2.8Å; N57-R60 PolarHBondContact O-N 2.89Å; C58-R60 VanDerWaalsContact C-N 3.33Å; C58-R60 PolarHBondContact O-N 2.97Å; R60-F62 PolarHBondContact O-N 3.05Å; R60-N63 PolarHBondContact O-N 3.15Å; R60-N64 VanDerWaalsContact O-CB 3.23Å; R60-N64 WeakPolarHBondContact O-CB 3.4Å; R60-N64 PolarHBondContact O-N 3.49Å; R60-E67 VanDerWaalsContact CD-OE1 3.27Å; R60-E67 WeakPolarHBondContact CD-OE1 3.31Å; R60-E67 WeakPolarHBondContact CD-OE2 3.27Å; R60-E67 VanDerWaalsContact CZ-CD 3.41Å; R60-E67 IonicContact CZ-OE1 2.66Å; R60-E67 IonicContact CZ-OE2 2.98Å; R60-E67 VanDerWaalsContact NE-CD 3.28Å; R60-E67 IonicContact NE-OE1 3.97Å; R60-E67 PolarHBondContact NE-OE1 3.33Å; R60-E67 VanDerWaalsContact NE-OE1 3.14Å; R60-E67 IonicContact NE-OE2 3.79Å; R60-E67 PolarHBondContact NE-OE2 3.45Å; R60-E67 IonicContact NH1-OE1 2.86Å; R60-E67 PolarHBondContact NH1-OE1 2.82Å; R60-E67 IonicContact NH1-OE2 2.98Å; R60-E67 IonicContact NH2-OE1 2.96Å; R60-E67 IonicContact NH2-OE2 3.29Å; R60-E67 PolarHBondContact NH2-OE2 2.8Å; R60-M242 VanDerWaalsContact CD-O 3.23Å; R60-M242 WeakPolarHBondContact CD-O 3.23Å; R60-P244 HydrophobicContact CB-CG 3.89Å; R60-I298 VanDerWaalsContact CZ-CD1 3.49Å
61L87Confident85.8Confident6 Ų639.5 Ų39.53%0.03120%0.196CC..Hα-helixtrans-62.8-40.6-177.4179.462.6000112.4N57 C58 S68 F71 F89 I124 L128N57-L61 VanDerWaalsContact O-CB 3.31Å; N57-L61 WeakPolarHBondContact O-CB 3.18Å; N57-L61 PolarHBondContact O-N 3.29Å; C58-L61 PolarHBondContact O-N 3.15Å; L61-S68 PolarHBondContact O-OG 3.04Å; L61-F71 HydrophobicContact CD1-CB 3.59Å; L61-F71 HydrophobicContact CD1-CD1 4.14Å; L61-F71 HydrophobicContact CD1-CD2 4.12Å; L61-F71 HydrophobicContact CD1-CG 3.7Å; L61-F71 HydrophobicContact CD2-CD1 4.14Å; L61-F71 HydrophobicContact CD2-CD2 4.33Å; L61-F71 HydrophobicContact CD2-CE1 4.13Å; L61-F71 HydrophobicContact CD2-CE2 4.3Å; L61-F71 HydrophobicContact CD2-CG 4.24Å; L61-F71 HydrophobicContact CD2-CZ 4.2Å; L61-F89 HydrophobicContact CD1-CZ 4.38Å; L61-F89 HydrophobicContact CD2-CE1 4.49Å; L61-F89 HydrophobicContact CD2-CZ 4.15Å; L61-F89 HydrophobicContact CG-CE1 4.05Å; L61-F89 HydrophobicContact CG-CZ 4.07Å; L61-I124 HydrophobicContact CD2-CG2 3.58Å; L61-L128 HydrophobicContact CD2-CD1 4.33Å
62F87.1Confident84.8Confident12 Ų1241.1 Ų41.15%0.05320%0.202CC..Hα-helixtrans-80.2-32.8179.2-78.4-85.8000112.2C58 R60 F89 H93 C96 C100 I124C58-F62 VanDerWaalsContact O-CD2 3.3Å; C58-F62 WeakPolarHBondContact O-CD2 3.45Å; C58-F62 PolarHBondContact O-N 2.85Å; R60-F62 PolarHBondContact O-N 3.05Å; F62-F89 AromaticContact CD1-CD1 3.77Å; F62-F89 HydrophobicContact CD1-CD1 3.77Å; F62-F89 AromaticContact CD1-CE1 3.76Å; F62-F89 HydrophobicContact CD1-CE1 3.76Å; F62-F89 HydrophobicContact CD2-CE1 4.49Å; F62-F89 AromaticContact CE1-CD1 3.74Å; F62-F89 HydrophobicContact CE1-CD1 3.74Å; F62-F89 AromaticContact CE1-CE1 3.62Å; F62-F89 HydrophobicContact CE1-CE1 3.62Å; F62-F89 HydrophobicContact CE1-CZ 4.42Å; F62-F89 HydrophobicContact CE2-CE1 4.39Å; F62-F89 HydrophobicContact CG-CE1 4.2Å; F62-F89 HydrophobicContact CZ-CD1 4.5Å; F62-F89 AromaticContact CZ-CE1 3.96Å; F62-F89 HydrophobicContact CZ-CE1 3.96Å; F62-F89 HydrophobicContact CZ-CZ 4.42Å; F62-H93 AromaticContact CD1-CE1 3.97Å; F62-H93 AromaticContact CD1-ND1 3.9Å; F62-H93 PolarHBondContact O-CE1 2.82Å; F62-H93 VanDerWaalsContact O-CE1 3.25Å; F62-C96 HydrophobicContact CE1-CB 3.73Å; F62-C96 HydrophobicContact CZ-CB 3.83Å; F62-C100 HydrophobicContact CE2-CB 4.01Å; F62-I124 HydrophobicContact CE2-CD1 4.33Å; F62-I124 HydrophobicContact CZ-CD1 3.88Å
63N84.2Confident83.7Confident83 Ų8350.1 Ų50.144%0.44424%0.236SC..Hα-helixtrans-87-11.8-179.2-66.4-21.2000114.8L59 R60L59-N63 WeakPolarHBondContact O-CB 3.25Å; L59-N63 VanDerWaalsContact O-CG 3.24Å; L59-N63 PolarHBondContact O-N 3.13Å; L59-N63 PolarHBondContact O-ND2 2.78Å; R60-N63 PolarHBondContact O-N 3.15Å
64N84.3Confident82.7Confident10 Ų1052.4 Ų52.45%0.05325%0.254CS..  trans-114.2103.1179.8-175.3-11.6000112.3R60 E66 E67 S68 M242R60-N64 VanDerWaalsContact O-CB 3.23Å; R60-N64 WeakPolarHBondContact O-CB 3.4Å; R60-N64 PolarHBondContact O-N 3.49Å; N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 2.78Å; N64-E66 PolarHBondContact OD1-N 2.75Å; N64-E66 VanDerWaalsContact OD1-N 3.09Å; N64-E67 HydrophobicContact CB-CB 4.14Å; N64-E67 HydrophobicContact CB-CG 4.43Å; N64-E67 PolarHBondContact O-N 3.45Å; N64-E67 PolarHBondContact OD1-N 2.75Å; N64-S68 PolarHBondContact O-N 3.18Å; N64-S68 PolarHBondContact O-OG 3.15Å; N64-M242 HydrophobicContact CB-CE 4.31Å; N64-M242 WeakPolarHBondContact ND2-CE 3.05Å; N64-M242 PolarHBondContact ND2-SD 3.37Å
65P80.6Confident81.4Confident87 Ų8753 Ų5357%0.56526%0.256SS*.Hα-helixtrans-61.3-29.5-177.5-22.232.1000114.9K69P65-K69 VanDerWaalsContact O-CG 3.32Å; P65-K69 WeakPolarHBondContact O-CG 3.43Å; P65-K69 PolarHBondContact O-N 3.15Å; P65-K69 VanDerWaalsContact O-N 3.15Å
66E79.6Confident79.8Confident156 Ų15655.5 Ų55.573%0.72927%0.27SS*.Hα-helixtrans-71.6-43.2178.9-64-161.5150.400110.9N64 K69 A70N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 2.78Å; N64-E66 PolarHBondContact OD1-N 2.75Å; N64-E66 VanDerWaalsContact OD1-N 3.09Å; E66-K69 PolarHBondContact O-N 3.15Å; E66-A70 PolarHBondContact O-N 2.8Å
67E79.8Confident78.3Confident45 Ų4562.3 Ų62.321%0.2131%0.306CS..Hα-helixtrans-66.8-39.2174-78.2-170.5-152.100112R60 N64 K69 A70 F71R60-E67 VanDerWaalsContact CD-OE1 3.27Å; R60-E67 WeakPolarHBondContact CD-OE1 3.31Å; R60-E67 WeakPolarHBondContact CD-OE2 3.27Å; R60-E67 VanDerWaalsContact CZ-CD 3.41Å; R60-E67 IonicContact CZ-OE1 2.66Å; R60-E67 IonicContact CZ-OE2 2.98Å; R60-E67 VanDerWaalsContact NE-CD 3.28Å; R60-E67 IonicContact NE-OE1 3.97Å; R60-E67 PolarHBondContact NE-OE1 3.33Å; R60-E67 VanDerWaalsContact NE-OE1 3.14Å; R60-E67 IonicContact NE-OE2 3.79Å; R60-E67 PolarHBondContact NE-OE2 3.45Å; R60-E67 IonicContact NH1-OE1 2.86Å; R60-E67 PolarHBondContact NH1-OE1 2.82Å; R60-E67 IonicContact NH1-OE2 2.98Å; R60-E67 IonicContact NH2-OE1 2.96Å; R60-E67 IonicContact NH2-OE2 3.29Å; R60-E67 PolarHBondContact NH2-OE2 2.8Å; N64-E67 HydrophobicContact CB-CB 4.14Å; N64-E67 HydrophobicContact CB-CG 4.43Å; N64-E67 PolarHBondContact O-N 3.45Å; N64-E67 PolarHBondContact OD1-N 2.75Å; E67-K69 PolarHBondContact O-N 3.15Å; E67-A70 PolarHBondContact O-N 2.85Å; E67-A70 VanDerWaalsContact O-N 3.16Å; E67-F71 VanDerWaalsContact O-CB 3.24Å; E67-F71 WeakPolarHBondContact O-CB 3.36Å; E67-F71 PolarHBondContact O-N 3.16Å
68S79.6Confident76.7Confident9 Ų966.9 Ų66.96%0.06333%0.327CS..Hα-helixtrans-60.3-36.3174.8-30.10000111.5L61 N64 R72L61-S68 PolarHBondContact O-OG 3.04Å; N64-S68 PolarHBondContact O-N 3.18Å; N64-S68 PolarHBondContact O-OG 3.15Å; S68-R72 WeakPolarHBondContact O-CB 3.43Å; S68-R72 PolarHBondContact O-N 2.79Å; S68-R72 VanDerWaalsContact O-N 3.16Å
69K77.8Confident74.9Confident125 Ų12574.8 Ų74.854%0.54336%0.361SS..Hα-helixtrans-71-39.9174.5-74.2173-173.8174.40112.4P65 E66 E67 R72 R73P65-K69 VanDerWaalsContact O-CG 3.32Å; P65-K69 WeakPolarHBondContact O-CG 3.43Å; P65-K69 PolarHBondContact O-N 3.15Å; P65-K69 VanDerWaalsContact O-N 3.15Å; E66-K69 PolarHBondContact O-N 3.15Å; E67-K69 PolarHBondContact O-N 3.15Å; K69-R72 WeakPolarHBondContact O-CB 3.18Å; K69-R73 PolarHBondContact O-N 2.94Å
70A78.5Confident73.2Confident47 Ų4776.1 Ų76.139%0.38837%0.367SS..Hα-helixtrans-66.8-48177.600000111.3E66 E67 R72 R73 T74E66-A70 PolarHBondContact O-N 2.8Å; E67-A70 PolarHBondContact O-N 2.85Å; E67-A70 VanDerWaalsContact O-N 3.16Å; A70-R72 VanDerWaalsContact C-N 3.28Å; A70-R72 PolarHBondContact O-N 2.97Å; A70-R73 WeakPolarHBondContact O-CB 3.48Å; A70-R73 PolarHBondContact O-N 3.11Å; A70-T74 PolarHBondContact O-N 2.73Å; A70-T74 PolarHBondContact O-OG1 3.5Å
71F76.2Confident71.5Confident28 Ų2880.1 Ų80.112%0.12339%0.392CS..Hα-helixtrans-56.1-41.8175.6-174.1-92.4000111.9L61 E67 R73 T74 W75 W85 I124 F127 L128L61-F71 HydrophobicContact CD1-CB 3.59Å; L61-F71 HydrophobicContact CD1-CD1 4.14Å; L61-F71 HydrophobicContact CD1-CD2 4.12Å; L61-F71 HydrophobicContact CD1-CG 3.7Å; L61-F71 HydrophobicContact CD2-CD1 4.14Å; L61-F71 HydrophobicContact CD2-CD2 4.33Å; L61-F71 HydrophobicContact CD2-CE1 4.13Å; L61-F71 HydrophobicContact CD2-CE2 4.3Å; L61-F71 HydrophobicContact CD2-CG 4.24Å; L61-F71 HydrophobicContact CD2-CZ 4.2Å; E67-F71 VanDerWaalsContact O-CB 3.24Å; E67-F71 WeakPolarHBondContact O-CB 3.36Å; E67-F71 PolarHBondContact O-N 3.16Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 2.63Å; F71-T74 PolarHBondContact O-N 2.95Å; F71-W75 HydrophobicContact CE1-CB 4.49Å; F71-W75 HydrophobicContact CE1-CD2 4.23Å; F71-W75 AromaticContact CE1-CE3 3.59Å; F71-W75 HydrophobicContact CE1-CE3 3.59Å; F71-W75 HydrophobicContact CE1-CZ3 4.12Å; F71-W75 HydrophobicContact CE2-CE3 4.27Å; F71-W75 HydrophobicContact CZ-CD2 4.41Å; F71-W75 AromaticContact CZ-CE3 3.36Å; F71-W75 HydrophobicContact CZ-CE3 3.36Å; F71-W75 AromaticContact CZ-CZ3 3.6Å; F71-W75 HydrophobicContact CZ-CZ3 3.6Å; F71-W75 WeakPolarHBondContact O-CB 3.47Å; F71-W75 PolarHBondContact O-N 2.8Å; F71-W85 HydrophobicContact CE1-CZ3 4.2Å; F71-I124 HydrophobicContact CZ-CG2 4.35Å; F71-F127 AromaticContact CE2-CD1 3.87Å; F71-F127 HydrophobicContact CE2-CD1 3.87Å; F71-F127 AromaticContact CE2-CE1 3.71Å; F71-F127 HydrophobicContact CE2-CE1 3.71Å; F71-F127 AromaticContact CZ-CD1 3.97Å; F71-F127 HydrophobicContact CZ-CD1 3.97Å; F71-F127 HydrophobicContact CZ-CE1 4.15Å; F71-L128 HydrophobicContact CE2-CD2 4.29Å
72R69.9Low70Confident104 Ų10487.7 Ų87.739%0.39243%0.433SS..Hα-helixtrans-56.6-39.5174.9-172.7-173.1-55.8-170.3-0.8113.2S68 K69 A70 N76S68-R72 WeakPolarHBondContact O-CB 3.43Å; S68-R72 PolarHBondContact O-N 2.79Å; S68-R72 VanDerWaalsContact O-N 3.16Å; K69-R72 WeakPolarHBondContact O-CB 3.18Å; A70-R72 VanDerWaalsContact C-N 3.28Å; A70-R72 PolarHBondContact O-N 2.97Å; R72-N76 PolarHBondContact O-N 3.15Å
73R70.2Confident68.5Low188 Ų18888.8 Ų88.871%0.70944%0.439SS*.Hα-helixtrans-70.5-39.9179.4-67.6178.3-173.8146.9-0.2111.7K69 A70 F71K69-R73 PolarHBondContact O-N 2.94Å; A70-R73 WeakPolarHBondContact O-CB 3.48Å; A70-R73 PolarHBondContact O-N 3.11Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 2.63Å
74T68.7Low67.5Low76 Ų7689.8 Ų89.847%0.46644%0.444SS..Hα-helixtrans-69.6-43179.1-42.20000111.3A70 F71 N77A70-T74 PolarHBondContact O-N 2.73Å; A70-T74 PolarHBondContact O-OG1 3.5Å; F71-T74 PolarHBondContact O-N 2.95Å; T74-N77 PolarHBondContact O-N 2.91Å
75W63.9Low66.5Low13 Ų1390.1 Ų90.15%0.04945%0.445CS..Hα-helixtrans-68.5-42.1-175.4-169-78.5000114.1F71 N77 E78 F80 W85 Q123 F127F71-W75 HydrophobicContact CE1-CB 4.49Å; F71-W75 HydrophobicContact CE1-CD2 4.23Å; F71-W75 AromaticContact CE1-CE3 3.59Å; F71-W75 HydrophobicContact CE1-CE3 3.59Å; F71-W75 HydrophobicContact CE1-CZ3 4.12Å; F71-W75 HydrophobicContact CE2-CE3 4.27Å; F71-W75 HydrophobicContact CZ-CD2 4.41Å; F71-W75 AromaticContact CZ-CE3 3.36Å; F71-W75 HydrophobicContact CZ-CE3 3.36Å; F71-W75 AromaticContact CZ-CZ3 3.6Å; F71-W75 HydrophobicContact CZ-CZ3 3.6Å; F71-W75 WeakPolarHBondContact O-CB 3.47Å; F71-W75 PolarHBondContact O-N 2.8Å; W75-N77 PolarHBondContact O-N 3.08Å; W75-N77 VanDerWaalsContact O-N 3.13Å; W75-E78 PolarHBondContact O-N 3.21Å; W75-E78 VanDerWaalsContact O-N 3.1Å; W75-F80 AromaticContact CE2-CD2 3.37Å; W75-F80 AromaticContact CE2-CE2 3.86Å; W75-F80 HydrophobicContact CH2-CE2 4.21Å; W75-F80 AromaticContact CZ2-CD2 3.36Å; W75-F80 HydrophobicContact CZ2-CD2 3.36Å; W75-F80 AromaticContact CZ2-CE2 3.35Å; W75-F80 HydrophobicContact CZ2-CE2 3.35Å; W75-F80 HydrophobicContact CZ2-CG 4.28Å; W75-F80 HydrophobicContact CZ2-CZ 4.29Å; W75-F80 AromaticContact NE1-CD2 3.11Å; W75-F80 AromaticContact NE1-CG 3.62Å; W75-W85 AromaticContact CD1-CE2 3.76Å; W75-W85 AromaticContact CD1-CZ2 3.55Å; W75-W85 AromaticContact CD1-NE1 3.86Å; W75-W85 AromaticContact CD2-CH2 3.9Å; W75-W85 HydrophobicContact CD2-CH2 3.9Å; W75-W85 AromaticContact CD2-CZ2 3.96Å; W75-W85 HydrophobicContact CD2-CZ2 3.96Å; W75-W85 AromaticContact CE2-CH2 3.56Å; W75-W85 AromaticContact CE2-CZ2 3.31Å; W75-W85 HydrophobicContact CE3-CH2 4.4Å; W75-W85 HydrophobicContact CG-CH2 4.28Å; W75-W85 HydrophobicContact CG-CZ2 4.09Å; W75-W85 HydrophobicContact CH2-CH2 4.27Å; W75-W85 AromaticContact CZ2-CH2 3.79Å; W75-W85 HydrophobicContact CZ2-CH2 3.79Å; W75-W85 AromaticContact CZ2-CZ2 3.72Å; W75-W85 HydrophobicContact CZ2-CZ2 3.72Å; W75-W85 AromaticContact NE1-CE2 3.64Å; W75-W85 AromaticContact NE1-CH2 3.76Å; W75-W85 AromaticContact NE1-CZ2 3.04Å; W75-W85 AromaticContact NE1-NE1 3.89Å; W75-Q123 HydrophobicContact CZ2-CB 4.49Å; W75-F127 HydrophobicContact CE3-CD1 4.12Å; W75-F127 HydrophobicContact CE3-CD2 4.38Å; W75-F127 HydrophobicContact CE3-CE1 4.29Å; W75-F127 HydrophobicContact CE3-CG 4.14Å; W75-F127 HydrophobicContact CE3-CZ 4.49Å; W75-F127 HydrophobicContact CH2-CB 3.52Å; W75-F127 HydrophobicContact CH2-CD2 4.25Å; W75-F127 AromaticContact CH2-CG 3.91Å; W75-F127 HydrophobicContact CH2-CG 3.91Å; W75-F127 HydrophobicContact CZ3-CB 3.32Å; W75-F127 AromaticContact CZ3-CD1 3.53Å; W75-F127 HydrophobicContact CZ3-CD1 3.53Å; W75-F127 AromaticContact CZ3-CD2 3.71Å; W75-F127 HydrophobicContact CZ3-CD2 3.71Å; W75-F127 HydrophobicContact CZ3-CE1 4.13Å; W75-F127 HydrophobicContact CZ3-CE2 4.31Å; W75-F127 AromaticContact CZ3-CG 3.25Å; W75-F127 HydrophobicContact CZ3-CG 3.25Å; W75-F127 HydrophobicContact CZ3-CZ 4.48Å
76N59.9Low65.6Low73 Ų7388.8 Ų88.839%0.3944%0.438SS..Hα-helixtrans-59.2-24.9176.9-79.21.6000112.3R72 N81R72-N76 PolarHBondContact O-N 3.15Å; N76-N81 PolarHBondContact O-OD1 2.94Å
77N57.4Low65.1Low142 Ų14283.6 Ų83.676%0.75942%0.417SS*.Hα-helixtrans-82.3-27.4177.7-73.4-13.6000113.5T74 W75T74-N77 PolarHBondContact O-N 2.91Å; W75-N77 PolarHBondContact O-N 3.08Å; W75-N77 VanDerWaalsContact O-N 3.13Å
78E56.8Low65Low124 Ų12481.5 Ų81.558%0.57941%0.407SS*.Hα-helixtrans-98-34.3-163.7-74.7-173.1170.800115.6W75W75-E78 PolarHBondContact O-N 3.21Å; W75-E78 VanDerWaalsContact O-N 3.1Å
79K53.9Low64.8Low166 Ų16682.4 Ų82.472%0.72241%0.409SS*.THydrogen-bonded Turntrans-162.9-11.7-175.5-119.8171.1-179.6175.30121
80F53.3Low64.6Low47 Ų4779.9 Ų79.921%0.20641%0.412CS..  trans-140.575.3-169.1-57.5-91.3000113.8W75 D82W75-F80 AromaticContact CE2-CD2 3.37Å; W75-F80 AromaticContact CE2-CE2 3.86Å; W75-F80 HydrophobicContact CH2-CE2 4.21Å; W75-F80 AromaticContact CZ2-CD2 3.36Å; W75-F80 HydrophobicContact CZ2-CD2 3.36Å; W75-F80 AromaticContact CZ2-CE2 3.35Å; W75-F80 HydrophobicContact CZ2-CE2 3.35Å; W75-F80 HydrophobicContact CZ2-CG 4.28Å; W75-F80 HydrophobicContact CZ2-CZ 4.29Å; W75-F80 AromaticContact NE1-CD2 3.11Å; W75-F80 AromaticContact NE1-CG 3.62Å; F80-D82 PolarHBondContact O-N 2.93Å
81N53.4Low64.2Low142 Ų14284.5 Ų84.576%0.75943%0.43SS*.THydrogen-bonded Turntrans-70.1-15176.4-95.1-15.7000114.4N76N76-N81 PolarHBondContact O-OD1 2.94Å
82D53.9Low64Low164 Ų16484.9 Ų84.988%0.87744%0.436SS*.THydrogen-bonded Turntrans-98.1-1.3-170.1-98.2-15.3000115.7F80F80-D82 PolarHBondContact O-N 2.93Å
83L57.3Low64.5Low35 Ų3583 Ų8318%0.18343%0.432CS..  trans-95.5129.5-179.5-100.767.7000111.7W85 I120L83-W85 VanDerWaalsContact C-N 3.29Å; L83-W85 HydrophobicContact CD2-CZ2 4.29Å; L83-W85 PolarHBondContact O-N 3.2Å; L83-I120 HydrophobicContact CB-CD1 4.38Å; L83-I120 HydrophobicContact CD2-CB 4.17Å; L83-I120 HydrophobicContact CD2-CD1 4.14Å; L83-I120 HydrophobicContact CD2-CG1 3.65Å; L83-I120 HydrophobicContact CD2-CG2 4.1Å; L83-I120 HydrophobicContact CG-CD1 4.27Å; L83-I120 HydrophobicContact CG-CG1 4.18Å
84D63.3Low65.1Low105 Ų10581.7 Ų81.756%0.56143%0.434SS*.  trans-80.176.2172.2-1729.9000111.5S86 T87D84-S86 PolarHBondContact O-N 2.88Å; D84-S86 VanDerWaalsContact O-N 3.16Å; D84-S86 WeakPolarHBondContact OD1-CB 3.19Å; D84-S86 PolarHBondContact OD1-N 2.96Å; D84-S86 PolarHBondContact OD1-OG 3.08Å; D84-T87 PolarHBondContact O-N 3.42Å; D84-T87 PolarHBondContact O-OG1 2.77Å
85W61.7Low65.9Low17 Ų1787 Ų876%0.06445%0.446CS..THydrogen-bonded Turntrans-57.6-23.3179.4-73.488.4000114.6F71 W75 L83 T87 C88 F89 I120 I124F71-W85 HydrophobicContact CE1-CZ3 4.2Å; W75-W85 AromaticContact CD1-CE2 3.76Å; W75-W85 AromaticContact CD1-CZ2 3.55Å; W75-W85 AromaticContact CD1-NE1 3.86Å; W75-W85 AromaticContact CD2-CH2 3.9Å; W75-W85 HydrophobicContact CD2-CH2 3.9Å; W75-W85 AromaticContact CD2-CZ2 3.96Å; W75-W85 HydrophobicContact CD2-CZ2 3.96Å; W75-W85 AromaticContact CE2-CH2 3.56Å; W75-W85 AromaticContact CE2-CZ2 3.31Å; W75-W85 HydrophobicContact CE3-CH2 4.4Å; W75-W85 HydrophobicContact CG-CH2 4.28Å; W75-W85 HydrophobicContact CG-CZ2 4.09Å; W75-W85 HydrophobicContact CH2-CH2 4.27Å; W75-W85 AromaticContact CZ2-CH2 3.79Å; W75-W85 HydrophobicContact CZ2-CH2 3.79Å; W75-W85 AromaticContact CZ2-CZ2 3.72Å; W75-W85 HydrophobicContact CZ2-CZ2 3.72Å; W75-W85 AromaticContact NE1-CE2 3.64Å; W75-W85 AromaticContact NE1-CH2 3.76Å; W75-W85 AromaticContact NE1-CZ2 3.04Å; W75-W85 AromaticContact NE1-NE1 3.89Å; L83-W85 VanDerWaalsContact C-N 3.29Å; L83-W85 HydrophobicContact CD2-CZ2 4.29Å; L83-W85 PolarHBondContact O-N 3.2Å; W85-T87 PolarHBondContact O-N 3.41Å; W85-C88 WeakPolarHBondContact O-CB 3.37Å; W85-C88 PolarHBondContact O-N 2.93Å; W85-F89 HydrophobicContact CE3-CE2 4.11Å; W85-F89 HydrophobicContact CZ3-CE2 4.47Å; W85-I120 HydrophobicContact CD2-CG2 3.75Å; W85-I120 HydrophobicContact CE3-CG2 3.56Å; W85-I120 HydrophobicContact CH2-CG2 3.72Å; W85-I120 HydrophobicContact CZ2-CG2 3.82Å; W85-I120 HydrophobicContact CZ3-CG2 3.63Å; W85-I124 HydrophobicContact CE3-CD1 4.24Å; W85-I124 HydrophobicContact CE3-CG1 4.47Å; W85-I124 HydrophobicContact CH2-CD1 4.09Å; W85-I124 HydrophobicContact CH2-CG1 3.43Å; W85-I124 VanDerWaalsContact CH2-CG1 3.43Å; W85-I124 HydrophobicContact CZ3-CD1 3.41Å; W85-I124 VanDerWaalsContact CZ3-CD1 3.41Å; W85-I124 HydrophobicContact CZ3-CG1 3.27Å
86S62Low67Low59 Ų5986.8 Ų86.841%0.41345%0.445SS..Hα-helixtrans-58.5-35.5-176.170.80000111.1D84 C88 A90D84-S86 PolarHBondContact O-N 2.88Å; D84-S86 VanDerWaalsContact O-N 3.16Å; D84-S86 WeakPolarHBondContact OD1-CB 3.19Å; D84-S86 PolarHBondContact OD1-N 2.96Å; D84-S86 PolarHBondContact OD1-OG 3.08Å; S86-C88 VanDerWaalsContact C-N 3.34Å; S86-C88 PolarHBondContact O-N 2.81Å; S86-A90 WeakPolarHBondContact O-CB 3.29Å; S86-A90 PolarHBondContact O-N 2.01Å
87T69.7Low68.3Low47 Ų4784.4 Ų84.429%0.28844%0.435SS..Hα-helixtrans-62.8-38.5176.562.60000112.3D84 W85 N91 S92D84-T87 PolarHBondContact O-N 3.42Å; D84-T87 PolarHBondContact O-OG1 2.77Å; W85-T87 PolarHBondContact O-N 3.41Å; T87-N91 CarbonylContact O-C 3.51Å; T87-N91 WeakPolarHBondContact O-CA 3.17Å; T87-N91 PolarHBondContact O-N 2.87Å; T87-S92 PolarHBondContact O-N 3.31Å; T87-S92 PolarHBondContact O-OG 2.85Å
88C77.4Confident69.7Low0 Ų081.1 Ų81.10%042%0.423CS..Hα-helixtrans-68.9-43.3-170.8-168.30000114W85 S86 S92 H93 C96 I120W85-C88 WeakPolarHBondContact O-CB 3.37Å; W85-C88 PolarHBondContact O-N 2.93Å; S86-C88 VanDerWaalsContact C-N 3.34Å; S86-C88 PolarHBondContact O-N 2.81Å; C88-S92 WeakPolarHBondContact CA-OG 3.38Å; C88-S92 CarbonylContact O-C 3.36Å; C88-H93 VanDerWaalsContact O-CA 3.23Å; C88-H93 WeakPolarHBondContact O-CA 3.04Å; C88-H93 PolarHBondContact O-N 2.04Å; C88-C96 WeakPolarHBondContact CA-SG 3.42Å; C88-C96 HydrophobicContact CB-CB 4.19Å; C88-C96 WeakPolarHBondContact CB-SG 3.33Å; C88-C96 WeakPolarHBondContact SG-CB 3.49Å; C88-C96 CovalentContact SG-SG 2.03Å; C88-C96 PolarHBondContact SG-SG 2.79Å; C88-I120 HydrophobicContact CB-CB 4.37Å; C88-I120 HydrophobicContact CB-CD1 4.46Å; C88-I120 HydrophobicContact CB-CG2 4.14Å
89F76.3Confident71.2Confident28 Ų2877 Ų7712%0.12341%0.405CS..Hα-helixtrans-89.5-19.8178.5-68.2-75.2000113.6L61 F62 W85 I124L61-F89 HydrophobicContact CD1-CZ 4.38Å; L61-F89 HydrophobicContact CD2-CE1 4.49Å; L61-F89 HydrophobicContact CD2-CZ 4.15Å; L61-F89 HydrophobicContact CG-CE1 4.05Å; L61-F89 HydrophobicContact CG-CZ 4.07Å; F62-F89 AromaticContact CD1-CD1 3.77Å; F62-F89 HydrophobicContact CD1-CD1 3.77Å; F62-F89 AromaticContact CD1-CE1 3.76Å; F62-F89 HydrophobicContact CD1-CE1 3.76Å; F62-F89 HydrophobicContact CD2-CE1 4.49Å; F62-F89 AromaticContact CE1-CD1 3.74Å; F62-F89 HydrophobicContact CE1-CD1 3.74Å; F62-F89 AromaticContact CE1-CE1 3.62Å; F62-F89 HydrophobicContact CE1-CE1 3.62Å; F62-F89 HydrophobicContact CE1-CZ 4.42Å; F62-F89 HydrophobicContact CE2-CE1 4.39Å; F62-F89 HydrophobicContact CG-CE1 4.2Å; F62-F89 HydrophobicContact CZ-CD1 4.5Å; F62-F89 AromaticContact CZ-CE1 3.96Å; F62-F89 HydrophobicContact CZ-CE1 3.96Å; F62-F89 HydrophobicContact CZ-CZ 4.42Å; W85-F89 HydrophobicContact CE3-CE2 4.11Å; W85-F89 HydrophobicContact CZ3-CE2 4.47Å; F89-I124 HydrophobicContact CZ-CD1 4.18Å
90A73.8Confident73Confident73 Ų7369.1 Ų69.160%0.60337%0.371SS*.Hα-helixtrans-101.1-58.8-178.500000113.2S86S86-A90 WeakPolarHBondContact O-CB 3.29Å; S86-A90 PolarHBondContact O-N 2.01Å
91N69.4Low74.7Confident143 Ų14369.1 Ų69.177%0.76537%0.37SS*.THydrogen-bonded Turntrans-97.2-26-169-67.1-11.2000113.8T87T87-N91 CarbonylContact O-C 3.51Å; T87-N91 WeakPolarHBondContact O-CA 3.17Å; T87-N91 PolarHBondContact O-N 2.87Å
92S72.8Confident76.3Confident36 Ų3671.6 Ų71.625%0.25237%0.369SS..SBendtrans-126.231.5-175.659.60000113.1T87 C88 E94 R95 C96T87-S92 PolarHBondContact O-N 3.31Å; T87-S92 PolarHBondContact O-OG 2.85Å; C88-S92 WeakPolarHBondContact CA-OG 3.38Å; C88-S92 CarbonylContact O-C 3.36Å; S92-E94 PolarHBondContact O-N 2.93Å; S92-R95 PolarHBondContact O-N 3.47Å; S92-C96 WeakPolarHBondContact O-CB 3.21Å; S92-C96 PolarHBondContact O-N 3.17Å
93H80.3Confident78.1Confident65 Ų6564 Ų6430%0.30133%0.329SS..Hα-helixtrans-47.8-52.5-177.1179.698.2000114F62 C88 S97F62-H93 AromaticContact CD1-CE1 3.97Å; F62-H93 AromaticContact CD1-ND1 3.9Å; F62-H93 PolarHBondContact O-CE1 2.82Å; F62-H93 VanDerWaalsContact O-CE1 3.25Å; C88-H93 VanDerWaalsContact O-CA 3.23Å; C88-H93 WeakPolarHBondContact O-CA 3.04Å; C88-H93 PolarHBondContact O-N 2.04Å; H93-S97 VanDerWaalsContact O-CB 3.31Å; H93-S97 WeakPolarHBondContact O-CB 3.47Å; H93-S97 PolarHBondContact O-N 2.89Å; H93-S97 PolarHBondContact O-OG 2.87Å
94E82.1Confident79.6Confident160 Ų16062.3 Ų62.375%0.74832%0.32SS*.Hα-helixtrans-66.6-42.6-178.3-66.7-179.4175.700112.2S92 S97 S98S92-E94 PolarHBondContact O-N 2.93Å; E94-S97 WeakPolarHBondContact CA-OG 3.44Å; E94-S97 PolarHBondContact O-OG 2.79Å; E94-S98 VanDerWaalsContact O-CB 3.27Å; E94-S98 WeakPolarHBondContact O-CB 3.41Å; E94-S98 PolarHBondContact O-N 2.81Å
95R85.2Confident80.8Confident189 Ų18960 Ų6071%0.71331%0.308SS*.Hα-helixtrans-64.8-47.3178.3-175.3175.4179.7171.82.1111.1S92 S98 D99S92-R95 PolarHBondContact O-N 3.47Å; R95-S98 PolarHBondContact O-N 3.09Å; R95-D99 WeakPolarHBondContact O-CB 3.39Å; R95-D99 VanDerWaalsContact O-CG 3.24Å; R95-D99 PolarHBondContact O-N 2.83Å
96C86.5Confident81.9Confident7 Ų761.7 Ų61.75%0.04732%0.318CS..Hα-helixtrans-64.3-42.5179-96.40000113.2F62 C88 S92 D99 C100 G121F62-C96 HydrophobicContact CE1-CB 3.73Å; F62-C96 HydrophobicContact CZ-CB 3.83Å; C88-C96 WeakPolarHBondContact CA-SG 3.42Å; C88-C96 HydrophobicContact CB-CB 4.19Å; C88-C96 WeakPolarHBondContact CB-SG 3.33Å; C88-C96 WeakPolarHBondContact SG-CB 3.49Å; C88-C96 CovalentContact SG-SG 2.03Å; C88-C96 PolarHBondContact SG-SG 2.79Å; S92-C96 WeakPolarHBondContact O-CB 3.21Å; S92-C96 PolarHBondContact O-N 3.17Å; C96-D99 PolarHBondContact O-N 2.94Å; C96-C100 WeakPolarHBondContact O-CB 3.37Å; C96-C100 PolarHBondContact O-N 2.87Å; C96-G121 WeakPolarHBondContact O-CA 3.14Å
97S87.1Confident82.8Confident23 Ų2361 Ų6116%0.16131%0.312CS..Hα-helixtrans-64.2-44.7175.355.60000110.7H93 E94 D99 C100 F101H93-S97 VanDerWaalsContact O-CB 3.31Å; H93-S97 WeakPolarHBondContact O-CB 3.47Å; H93-S97 PolarHBondContact O-N 2.89Å; H93-S97 PolarHBondContact O-OG 2.87Å; E94-S97 WeakPolarHBondContact CA-OG 3.44Å; E94-S97 PolarHBondContact O-OG 2.79Å; S97-D99 VanDerWaalsContact C-N 3.34Å; S97-D99 PolarHBondContact O-N 2.98Å; S97-C100 WeakPolarHBondContact O-CB 3.36Å; S97-C100 PolarHBondContact O-N 2.89Å; S97-F101 WeakPolarHBondContact O-CD2 3.25Å; S97-F101 PolarHBondContact O-N 2.79Å
98S87.7Confident83.1Confident73 Ų7361 Ų6151%0.5131%0.313SS..Hα-helixtrans-57.7-44.3173.6177.10000112.5E94 R95 F101 R102E94-S98 VanDerWaalsContact O-CB 3.27Å; E94-S98 WeakPolarHBondContact O-CB 3.41Å; E94-S98 PolarHBondContact O-N 2.81Å; R95-S98 PolarHBondContact O-N 3.09Å; S98-F101 PolarHBondContact O-N 3.19Å; S98-R102 PolarHBondContact O-N 2.9Å
99D88.8Confident83Confident39 Ų3967.3 Ų67.321%0.20935%0.351CS..Hα-helixtrans-63.3-42.5177.3-70.9-26.2000111.4R95 C96 S97 F101 R102 T103 I119R95-D99 WeakPolarHBondContact O-CB 3.39Å; R95-D99 VanDerWaalsContact O-CG 3.24Å; R95-D99 PolarHBondContact O-N 2.83Å; C96-D99 PolarHBondContact O-N 2.94Å; S97-D99 VanDerWaalsContact C-N 3.34Å; S97-D99 PolarHBondContact O-N 2.98Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.26Å; D99-R102 PolarHBondContact O-N 3.35Å; D99-T103 PolarHBondContact O-N 3.08Å; D99-T103 PolarHBondContact O-OG1 3.47Å; D99-T103 VanDerWaalsContact O-OG1 3.08Å; D99-I119 HydrophobicContact CB-CG2 4.09Å; D99-I119 WeakPolarHBondContact OD2-CG2 3.43Å
100C90.1Very high83.2Confident0 Ų070.6 Ų70.60%037%0.367CS..Hα-helixtrans-56.1-46.8173.9-170.10000111.7C58 F62 C96 S97 T103 C104 G121C58-C100 HydrophobicContact CB-CB 3.95Å; C58-C100 WeakPolarHBondContact CB-SG 3.42Å; C58-C100 WeakPolarHBondContact SG-CB 3.11Å; C58-C100 CovalentContact SG-SG 2.05Å; C58-C100 PolarHBondContact SG-SG 2.78Å; F62-C100 HydrophobicContact CE2-CB 4.01Å; C96-C100 WeakPolarHBondContact O-CB 3.37Å; C96-C100 PolarHBondContact O-N 2.87Å; S97-C100 WeakPolarHBondContact O-CB 3.36Å; S97-C100 PolarHBondContact O-N 2.89Å; C100-T103 PolarHBondContact O-N 3.34Å; C100-C104 PolarHBondContact O-N 3.21Å; C100-C104 PolarHBondContact O-SG 2.86Å; C100-C104 VanDerWaalsContact O-SG 3.37Å; C100-G121 WeakPolarHBondContact CA-O 3.41Å; C100-G121 PolarHBondContact N-O 2.87Å
101F89.1Confident83.4Confident46 Ų4667.1 Ų67.120%0.20234%0.339CS..Hα-helixtrans-63.3-45.1179.4-90-118000113K55 C58 L59 S97 S98 D99 T103 C104K55-F101 HydrophobicContact CB-CD1 4.09Å; K55-F101 HydrophobicContact CB-CE1 4.23Å; K55-F101 HydrophobicContact CD-CD1 3.91Å; K55-F101 VanDerWaalsContact CE-O 3.3Å; K55-F101 WeakPolarHBondContact CE-O 3.28Å; K55-F101 HydrophobicContact CG-CD1 3.95Å; K55-F101 HydrophobicContact CG-CG 4.34Å; C58-F101 HydrophobicContact CB-CD2 3.71Å; C58-F101 HydrophobicContact CB-CE2 3.84Å; L59-F101 HydrophobicContact CD1-CE1 4.39Å; L59-F101 HydrophobicContact CD1-CZ 3.94Å; L59-F101 HydrophobicContact CD2-CE1 4.49Å; L59-F101 HydrophobicContact CD2-CE2 4.05Å; L59-F101 HydrophobicContact CD2-CZ 3.44Å; L59-F101 VanDerWaalsContact CD2-CZ 3.44Å; L59-F101 HydrophobicContact CG-CE1 4.21Å; L59-F101 HydrophobicContact CG-CE2 3.91Å; L59-F101 HydrophobicContact CG-CZ 3.31Å; S97-F101 WeakPolarHBondContact O-CD2 3.25Å; S97-F101 PolarHBondContact O-N 2.79Å; S98-F101 PolarHBondContact O-N 3.19Å; D99-F101 VanDerWaalsContact C-N 3.33Å; D99-F101 PolarHBondContact O-N 3.26Å; F101-T103 VanDerWaalsContact C-N 3.27Å; F101-T103 PolarHBondContact O-N 3.29Å; F101-C104 WeakPolarHBondContact O-CB 3.32Å; F101-C104 PolarHBondContact O-N 2.98Å
102R88.2Confident83.5Confident194 Ų19465 Ų6573%0.73233%0.326SS*.Hα-helixtrans-63.7-38-179.9-174.4178.3177.4-179.3-0.4110.8S98 D99 C104 D105S98-R102 PolarHBondContact O-N 2.9Å; D99-R102 PolarHBondContact O-N 3.35Å; R102-C104 VanDerWaalsContact C-N 3.35Å; R102-C104 PolarHBondContact O-N 2.78Å; R102-D105 WeakPolarHBondContact O-CB 3.48Å; R102-D105 PolarHBondContact O-N 2.82Å
103T90.4Very high83.7Confident5 Ų567.8 Ų67.83%0.03135%0.346CS..Hα-helixtrans-66-34.4178.7-650000113.4D99 C100 F101 D105 L106 C111 C122 C126D99-T103 PolarHBondContact O-N 3.08Å; D99-T103 PolarHBondContact O-OG1 3.47Å; D99-T103 VanDerWaalsContact O-OG1 3.08Å; C100-T103 PolarHBondContact O-N 3.34Å; F101-T103 VanDerWaalsContact C-N 3.27Å; F101-T103 PolarHBondContact O-N 3.29Å; T103-D105 PolarHBondContact O-N 3.1Å; T103-L106 HydrophobicContact CG2-CD1 4.35Å; T103-L106 WeakPolarHBondContact O-CB 3.48Å; T103-L106 PolarHBondContact O-N 2.79Å; T103-C111 WeakPolarHBondContact CG2-SG 3.42Å; T103-C122 WeakPolarHBondContact CG2-O 3.02Å; T103-C122 VanDerWaalsContact OG1-CA 3.31Å; T103-C122 WeakPolarHBondContact OG1-CA 3.4Å; T103-C122 PolarHBondContact OG1-SG 2.93Å; T103-C126 HydrophobicContact CG2-CB 4.33Å; T103-C126 WeakPolarHBondContact CG2-SG 3.35Å
104C90.1Very high83.7Confident0 Ų070.3 Ų70.30%036%0.358CS..THydrogen-bonded Turntrans-55.4-23.5176.5-66.70000113.1R47 R51 C54 K55 C58 C100 F101 R102R47-C104 PolarHBondContact NH1-O 2.8Å; R47-C104 PolarHBondContact NH2-O 2.83Å; R47-C104 VanDerWaalsContact NH2-O 3.12Å; R51-C104 WeakPolarHBondContact CG-O 3.28Å; C54-C104 HydrophobicContact CB-CB 3.67Å; C54-C104 WeakPolarHBondContact CB-SG 2.96Å; C54-C104 WeakPolarHBondContact SG-CB 3.48Å; C54-C104 CovalentContact SG-SG 2.04Å; C54-C104 PolarHBondContact SG-SG 2.92Å; K55-C104 HydrophobicContact CG-CB 3.8Å; K55-C104 PolarHBondContact N-SG 2.77Å; C58-C104 VanDerWaalsContact SG-SG 3.7Å; C100-C104 PolarHBondContact O-N 3.21Å; C100-C104 PolarHBondContact O-SG 2.86Å; C100-C104 VanDerWaalsContact O-SG 3.37Å; F101-C104 WeakPolarHBondContact O-CB 3.32Å; F101-C104 PolarHBondContact O-N 2.98Å; R102-C104 VanDerWaalsContact C-N 3.35Å; R102-C104 PolarHBondContact O-N 2.78Å
105D88Confident83.6Confident57 Ų5763 Ų6331%0.30533%0.325SS..THydrogen-bonded Turntrans-76.7-18.6177.6-64.7-38.6000113.8R47 R51 K55 R102 T103R47-D105 VanDerWaalsContact NH2-C 3.25Å; R47-D105 PolarHBondContact NH2-O 3.48Å; R51-D105 IonicContact CZ-OD1 3.49Å; R51-D105 IonicContact NE-OD1 3.72Å; R51-D105 PolarHBondContact NE-OD1 2.5Å; R51-D105 VanDerWaalsContact NH2-CG 3.28Å; R51-D105 IonicContact NH2-OD1 2.81Å; R51-D105 PolarHBondContact NH2-OD1 3.01Å; R51-D105 IonicContact NH2-OD2 3.34Å; K55-D105 VanDerWaalsContact CE-OD1 3.22Å; K55-D105 WeakPolarHBondContact CE-OD1 3.07Å; K55-D105 VanDerWaalsContact NZ-CG 3.29Å; K55-D105 IonicContact NZ-OD1 3.48Å; K55-D105 PolarHBondContact NZ-OD1 3.06Å; K55-D105 IonicContact NZ-OD2 3.14Å; K55-D105 PolarHBondContact NZ-OD2 2.79Å; R102-D105 WeakPolarHBondContact O-CB 3.48Å; R102-D105 PolarHBondContact O-N 2.82Å; T103-D105 PolarHBondContact O-N 3.1Å
106L85.6Confident83.1Confident51 Ų5157.7 Ų57.727%0.26732%0.316SS..SBendtrans-75.2145.7176.7-62177.5000112.3R47 T103 H114R47-L106 PolarHBondContact NH2-O 2.86Å; T103-L106 HydrophobicContact CG2-CD1 4.35Å; T103-L106 WeakPolarHBondContact O-CB 3.48Å; T103-L106 PolarHBondContact O-N 2.79Å; L106-H114 HydrophobicContact CD1-CB 3.93Å
107P81.1Confident82.2Confident46 Ų4662.7 Ų62.730%0.29934%0.342SS..  trans-63.5139175.925.9-30.9000110.8T109 E110 C111P107-T109 PolarHBondContact O-N 2.94Å; P107-E110 HydrophobicContact CG-CB 4.01Å; P107-E110 HydrophobicContact CG-CG 4.03Å; P107-E110 VanDerWaalsContact CG-OE2 3.26Å; P107-E110 WeakPolarHBondContact CG-OE2 3.1Å; P107-E110 PolarHBondContact O-N 2.93Å; P107-E110 VanDerWaalsContact O-N 3.13Å; P107-C111 PolarHBondContact O-N 2.84Å; P107-C111 VanDerWaalsContact O-N 3.13Å
108P75.4Confident81.4Confident46 Ų4671 Ų7130%0.29938%0.376SS..Hα-helixtrans-55.7-38.4-174.3-24.431.6000113.6E110 C111 I129P108-E110 VanDerWaalsContact C-N 3.31Å; P108-E110 PolarHBondContact O-N 2.91Å; P108-C111 WeakPolarHBondContact O-CB 3.14Å; P108-C111 PolarHBondContact O-N 2.94Å; P108-I129 HydrophobicContact CG-CG1 4.13Å
109T75.7Confident81Confident132 Ų13270.8 Ų70.881%0.8137%0.368SS*.Hα-helixtrans-66.5-28.4-177.649.80000113.9P107P107-T109 PolarHBondContact O-N 2.94Å
110E78.8Confident80.6Confident97 Ų9769.8 Ų69.845%0.45336%0.363SS..Hα-helixtrans-105.3-5.7-177-52.9172.6174.100111.6P107 P108 L112 S113 H114P107-E110 HydrophobicContact CG-CB 4.01Å; P107-E110 HydrophobicContact CG-CG 4.03Å; P107-E110 VanDerWaalsContact CG-OE2 3.26Å; P107-E110 WeakPolarHBondContact CG-OE2 3.1Å; P107-E110 PolarHBondContact O-N 2.93Å; P107-E110 VanDerWaalsContact O-N 3.13Å; P108-E110 VanDerWaalsContact C-N 3.31Å; P108-E110 PolarHBondContact O-N 2.91Å; E110-L112 PolarHBondContact O-N 3.08Å; E110-S113 PolarHBondContact O-N 2.91Å; E110-S113 PolarHBondContact O-OG 2.92Å; E110-H114 PolarHBondContact O-CD2 3.27Å; E110-H114 VanDerWaalsContact O-CD2 3.31Å; E110-H114 PolarHBondContact O-N 2.74Å
111C79Confident80.3Confident1 Ų169.8 Ų69.81%0.00736%0.363CS..Hα-helixtrans-58.4-50.9-169.3-162.10000112.7T103 P107 P108 S113 H114 C115 C126T103-C111 WeakPolarHBondContact CG2-SG 3.42Å; P107-C111 PolarHBondContact O-N 2.84Å; P107-C111 VanDerWaalsContact O-N 3.13Å; P108-C111 WeakPolarHBondContact O-CB 3.14Å; P108-C111 PolarHBondContact O-N 2.94Å; C111-S113 PolarHBondContact O-N 2.94Å; C111-H114 PolarHBondContact O-N 2.83Å; C111-C115 PolarHBondContact O-N 2.75Å; C111-C115 VanDerWaalsContact O-N 3.11Å; C111-C126 HydrophobicContact CB-CB 3.9Å; C111-C126 WeakPolarHBondContact CB-SG 3.41Å; C111-C126 PolarHBondContact O-SG 3.06Å; C111-C126 WeakPolarHBondContact SG-CA 3.25Å; C111-C126 WeakPolarHBondContact SG-CB 3.34Å; C111-C126 CovalentContact SG-SG 2.04Å; C111-C126 PolarHBondContact SG-SG 3.27Å
112L72.4Confident80.2Confident97 Ų9768.2 Ų68.251%0.50836%0.357SS..Hα-helixtrans-65-25179.3-70.9171000113E110 C126E110-L112 PolarHBondContact O-N 3.08Å; L112-C126 HydrophobicContact CD2-CB 4.23Å
113S77.1Confident79.9Confident96 Ų9659.3 Ų59.367%0.67132%0.324SS*.Hα-helixtrans-77.4-28.1177.174.10000113E110 C111E110-S113 PolarHBondContact O-N 2.91Å; E110-S113 PolarHBondContact O-OG 2.92Å; C111-S113 PolarHBondContact O-N 2.94Å
114H79.9Confident79.6Confident117 Ų11759 Ų5954%0.54232%0.322SS..Hα-helixtrans-89.9-24.5-179.8-79.1-70.5000113.6L106 E110 C111L106-H114 HydrophobicContact CD1-CB 3.93Å; E110-H114 PolarHBondContact O-CD2 3.27Å; E110-H114 VanDerWaalsContact O-CD2 3.31Å; E110-H114 PolarHBondContact O-N 2.74Å; C111-H114 PolarHBondContact O-N 2.83Å
115C80.4Confident79.5Confident8 Ų859 Ų595%0.05432%0.322CS..SBendtrans-86.1111.5177.5-720000111.4C111 C122 C126C111-C115 PolarHBondContact O-N 2.75Å; C111-C115 VanDerWaalsContact O-N 3.11Å; C115-C122 WeakPolarHBondContact CA-SG 3.37Å; C115-C122 HydrophobicContact CB-CB 3.77Å; C115-C122 WeakPolarHBondContact CB-SG 3.37Å; C115-C122 WeakPolarHBondContact SG-CB 3.25Å; C115-C122 PolarHBondContact SG-O 2.9Å; C115-C122 CovalentContact SG-SG 2.03Å; C115-C122 PolarHBondContact SG-SG 3.43Å; C115-C126 PolarHBondContact SG-SG 3.48Å
116S73.6Confident79.3Confident77 Ų7756.5 Ų56.554%0.53831%0.309SS..  trans-66.4145.9169.7-54.60000111.5K118 I119S116-K118 PolarHBondContact O-N 2.84Å; S116-I119 PolarHBondContact O-N 3.07Å
117D67.4Low79.2Confident111 Ų11155.9 Ų55.959%0.59430%0.304SS*.THydrogen-bonded Turntrans-57.9-20.4-179.2-62.1-41.6000114.5Q123D117-Q123 PolarHBondContact OD1-NE2 2.04Å
118K70.9Confident79.3Confident197 Ų19754.2 Ų54.286%0.85729%0.293SS*.THydrogen-bonded Turntrans-75.9-20.8177.8-62.7-174.9-179.9-178.80113.8S116 I120S116-K118 PolarHBondContact O-N 2.84Å; K118-I120 PolarHBondContact O-N 2.93Å
119I79.7Confident79.8Confident69 Ų6952 Ų5235%0.35428%0.278SS..  trans-100.584.1-174-49.3178.7000109D99 S116 G121 C122 Q123D99-I119 HydrophobicContact CB-CG2 4.09Å; D99-I119 WeakPolarHBondContact OD2-CG2 3.43Å; S116-I119 PolarHBondContact O-N 3.07Å; I119-G121 VanDerWaalsContact C-N 3.33Å; I119-G121 PolarHBondContact O-N 3.05Å; I119-C122 HydrophobicContact CB-CB 3.87Å; I119-C122 HydrophobicContact CG2-CB 3.61Å; I119-C122 WeakPolarHBondContact O-CB 3.39Å; I119-C122 PolarHBondContact O-N 3.45Å; I119-Q123 PolarHBondContact O-N 3.28Å
120I79.4Confident80Confident19 Ų1949.9 Ų49.910%0.09726%0.259CS..Hα-helixtrans-55.8-45.9-175.3-48-169.3000111.7L83 W85 C88 K118 C122 Q123 I124L83-I120 HydrophobicContact CB-CD1 4.38Å; L83-I120 HydrophobicContact CD2-CB 4.17Å; L83-I120 HydrophobicContact CD2-CD1 4.14Å; L83-I120 HydrophobicContact CD2-CG1 3.65Å; L83-I120 HydrophobicContact CD2-CG2 4.1Å; L83-I120 HydrophobicContact CG-CD1 4.27Å; L83-I120 HydrophobicContact CG-CG1 4.18Å; W85-I120 HydrophobicContact CD2-CG2 3.75Å; W85-I120 HydrophobicContact CE3-CG2 3.56Å; W85-I120 HydrophobicContact CH2-CG2 3.72Å; W85-I120 HydrophobicContact CZ2-CG2 3.82Å; W85-I120 HydrophobicContact CZ3-CG2 3.63Å; C88-I120 HydrophobicContact CB-CB 4.37Å; C88-I120 HydrophobicContact CB-CD1 4.46Å; C88-I120 HydrophobicContact CB-CG2 4.14Å; K118-I120 PolarHBondContact O-N 2.93Å; I120-C122 PolarHBondContact O-N 2.96Å; I120-Q123 PolarHBondContact O-N 3.5Å; I120-Q123 VanDerWaalsContact O-N 3.07Å; I120-I124 HydrophobicContact CG2-CD1 4.36Å; I120-I124 WeakPolarHBondContact O-CG1 3.13Å; I120-I124 PolarHBondContact O-N 3.41Å
121G83.6Confident79.8Confident0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-57.5-34.717800000113.2C96 C100 I119 I124 G125C96-G121 WeakPolarHBondContact O-CA 3.14Å; C100-G121 WeakPolarHBondContact CA-O 3.41Å; C100-G121 PolarHBondContact N-O 2.87Å; I119-G121 VanDerWaalsContact C-N 3.33Å; I119-G121 PolarHBondContact O-N 3.05Å; G121-I124 PolarHBondContact O-N 3.36Å; G121-G125 PolarHBondContact O-N 3.31Å; G121-G125 VanDerWaalsContact O-N 3.08Å
122C87.1Confident79.7Confident13 Ų1349 Ų499%0.08826%0.255CS..Hα-helixtrans-65.7-46.4176.1-160.20000110.8T103 C115 I119 I120 I124 G125 C126T103-C122 WeakPolarHBondContact CG2-O 3.02Å; T103-C122 VanDerWaalsContact OG1-CA 3.31Å; T103-C122 WeakPolarHBondContact OG1-CA 3.4Å; T103-C122 PolarHBondContact OG1-SG 2.93Å; C115-C122 WeakPolarHBondContact CA-SG 3.37Å; C115-C122 HydrophobicContact CB-CB 3.77Å; C115-C122 WeakPolarHBondContact CB-SG 3.37Å; C115-C122 WeakPolarHBondContact SG-CB 3.25Å; C115-C122 PolarHBondContact SG-O 2.9Å; C115-C122 CovalentContact SG-SG 2.03Å; C115-C122 PolarHBondContact SG-SG 3.43Å; I119-C122 HydrophobicContact CB-CB 3.87Å; I119-C122 HydrophobicContact CG2-CB 3.61Å; I119-C122 WeakPolarHBondContact O-CB 3.39Å; I119-C122 PolarHBondContact O-N 3.45Å; I120-C122 PolarHBondContact O-N 2.96Å; C122-I124 VanDerWaalsContact C-N 3.34Å; C122-I124 PolarHBondContact O-N 2.71Å; C122-G125 PolarHBondContact O-N 3.31Å; C122-G125 VanDerWaalsContact O-N 3.14Å; C122-C126 PolarHBondContact O-N 3.08Å
123Q82.2Confident79.6Confident6 Ų646.2 Ų46.23%0.02824%0.244CC..Hα-helixtrans-63.2-39.1178.1-66.7-168.2-26.800112.7W75 D117 I119 I120 G125 C126 F127W75-Q123 HydrophobicContact CZ2-CB 4.49Å; D117-Q123 PolarHBondContact OD1-NE2 2.04Å; I119-Q123 PolarHBondContact O-N 3.28Å; I120-Q123 PolarHBondContact O-N 3.5Å; I120-Q123 VanDerWaalsContact O-N 3.07Å; Q123-G125 VanDerWaalsContact C-N 3.33Å; Q123-G125 PolarHBondContact O-N 2.81Å; Q123-C126 PolarHBondContact O-N 3.16Å; Q123-F127 PolarHBondContact O-N 3.32Å; Q123-F127 VanDerWaalsContact O-N 3.08Å
124I84.3Confident78.8Confident0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-56.7-49.8172.2-62.5170.8000110L61 F62 F71 W85 F89 I120 G121 C122 C126 F127 L128L61-I124 HydrophobicContact CD2-CG2 3.58Å; F62-I124 HydrophobicContact CE2-CD1 4.33Å; F62-I124 HydrophobicContact CZ-CD1 3.88Å; F71-I124 HydrophobicContact CZ-CG2 4.35Å; W85-I124 HydrophobicContact CE3-CD1 4.24Å; W85-I124 HydrophobicContact CE3-CG1 4.47Å; W85-I124 HydrophobicContact CH2-CD1 4.09Å; W85-I124 HydrophobicContact CH2-CG1 3.43Å; W85-I124 VanDerWaalsContact CH2-CG1 3.43Å; W85-I124 HydrophobicContact CZ3-CD1 3.41Å; W85-I124 VanDerWaalsContact CZ3-CD1 3.41Å; W85-I124 HydrophobicContact CZ3-CG1 3.27Å; F89-I124 HydrophobicContact CZ-CD1 4.18Å; I120-I124 HydrophobicContact CG2-CD1 4.36Å; I120-I124 WeakPolarHBondContact O-CG1 3.13Å; I120-I124 PolarHBondContact O-N 3.41Å; G121-I124 PolarHBondContact O-N 3.36Å; C122-I124 VanDerWaalsContact C-N 3.34Å; C122-I124 PolarHBondContact O-N 2.71Å; I124-C126 VanDerWaalsContact C-N 3.31Å; I124-C126 PolarHBondContact O-N 3.48Å; I124-F127 PolarHBondContact O-N 3.44Å; I124-L128 HydrophobicContact CG2-CD1 3.84Å; I124-L128 HydrophobicContact CG2-CG 4.27Å; I124-L128 WeakPolarHBondContact O-CG 3.38Å; I124-L128 PolarHBondContact O-N 2.74Å
125G87.3Confident77.7Confident0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-57.8-41.9178.600000112.7G121 C122 Q123 L128 I129G121-G125 PolarHBondContact O-N 3.31Å; G121-G125 VanDerWaalsContact O-N 3.08Å; C122-G125 PolarHBondContact O-N 3.31Å; C122-G125 VanDerWaalsContact O-N 3.14Å; Q123-G125 VanDerWaalsContact C-N 3.33Å; Q123-G125 PolarHBondContact O-N 2.81Å; G125-L128 PolarHBondContact O-N 2.63Å; G125-I129 WeakPolarHBondContact O-CG2 3.4Å; G125-I129 PolarHBondContact O-N 2.81Å
126C85.4Confident76.4Confident3 Ų350.4 Ų50.42%0.0226%0.255CS..Hα-helixtrans-63.5-44.9178.2-73.90000113.2T103 C111 L112 C115 C122 Q123 I124 I129 E130T103-C126 HydrophobicContact CG2-CB 4.33Å; T103-C126 WeakPolarHBondContact CG2-SG 3.35Å; C111-C126 HydrophobicContact CB-CB 3.9Å; C111-C126 WeakPolarHBondContact CB-SG 3.41Å; C111-C126 PolarHBondContact O-SG 3.06Å; C111-C126 WeakPolarHBondContact SG-CA 3.25Å; C111-C126 WeakPolarHBondContact SG-CB 3.34Å; C111-C126 CovalentContact SG-SG 2.04Å; C111-C126 PolarHBondContact SG-SG 3.27Å; L112-C126 HydrophobicContact CD2-CB 4.23Å; C115-C126 PolarHBondContact SG-SG 3.48Å; C122-C126 PolarHBondContact O-N 3.08Å; Q123-C126 PolarHBondContact O-N 3.16Å; I124-C126 VanDerWaalsContact C-N 3.31Å; I124-C126 PolarHBondContact O-N 3.48Å; C126-I129 WeakPolarHBondContact O-CG2 3.37Å; C126-I129 PolarHBondContact O-N 3.01Å; C126-E130 WeakPolarHBondContact O-CB 3.46Å; C126-E130 PolarHBondContact O-N 2.9Å
127F82.4Confident75.2Confident39 Ų3950.7 Ų50.717%0.17126%0.255CS..Hα-helixtrans-64.5-42.9176.9177.5-98.2000111.8F71 W75 Q123 I124 I129 E130 Q131F71-F127 AromaticContact CE2-CD1 3.87Å; F71-F127 HydrophobicContact CE2-CD1 3.87Å; F71-F127 AromaticContact CE2-CE1 3.71Å; F71-F127 HydrophobicContact CE2-CE1 3.71Å; F71-F127 AromaticContact CZ-CD1 3.97Å; F71-F127 HydrophobicContact CZ-CD1 3.97Å; F71-F127 HydrophobicContact CZ-CE1 4.15Å; W75-F127 HydrophobicContact CE3-CD1 4.12Å; W75-F127 HydrophobicContact CE3-CD2 4.38Å; W75-F127 HydrophobicContact CE3-CE1 4.29Å; W75-F127 HydrophobicContact CE3-CG 4.14Å; W75-F127 HydrophobicContact CE3-CZ 4.49Å; W75-F127 HydrophobicContact CH2-CB 3.52Å; W75-F127 HydrophobicContact CH2-CD2 4.25Å; W75-F127 AromaticContact CH2-CG 3.91Å; W75-F127 HydrophobicContact CH2-CG 3.91Å; W75-F127 HydrophobicContact CZ3-CB 3.32Å; W75-F127 AromaticContact CZ3-CD1 3.53Å; W75-F127 HydrophobicContact CZ3-CD1 3.53Å; W75-F127 AromaticContact CZ3-CD2 3.71Å; W75-F127 HydrophobicContact CZ3-CD2 3.71Å; W75-F127 HydrophobicContact CZ3-CE1 4.13Å; W75-F127 HydrophobicContact CZ3-CE2 4.31Å; W75-F127 AromaticContact CZ3-CG 3.25Å; W75-F127 HydrophobicContact CZ3-CG 3.25Å; W75-F127 HydrophobicContact CZ3-CZ 4.48Å; Q123-F127 PolarHBondContact O-N 3.32Å; Q123-F127 VanDerWaalsContact O-N 3.08Å; I124-F127 PolarHBondContact O-N 3.44Å; F127-I129 PolarHBondContact O-N 3.02Å; F127-E130 PolarHBondContact O-N 3.29Å; F127-Q131 HydrophobicContact CD1-CG 4.23Å; F127-Q131 HydrophobicContact CE1-CG 3.99Å; F127-Q131 HydrophobicContact CE2-CG 4.45Å; F127-Q131 VanDerWaalsContact CZ-CD 3.48Å; F127-Q131 HydrophobicContact CZ-CG 4.12Å; F127-Q131 WeakPolarHBondContact O-CB 3.48Å; F127-Q131 WeakPolarHBondContact O-CG 3.38Å; F127-Q131 PolarHBondContact O-N 3.04Å
128L84.1Confident74Confident10 Ų1048 Ų485%0.05225%0.254CS..Hα-helixtrans-64.9-38.2179-69.9178.6000112.4N57 L61 F71 I124 G125 T132N57-L128 HydrophobicContact CB-CD1 4.02Å; N57-L128 HydrophobicContact CB-CD2 4.14Å; N57-L128 HydrophobicContact CB-CG 4.47Å; L61-L128 HydrophobicContact CD2-CD1 4.33Å; F71-L128 HydrophobicContact CE2-CD2 4.29Å; I124-L128 HydrophobicContact CG2-CD1 3.84Å; I124-L128 HydrophobicContact CG2-CG 4.27Å; I124-L128 WeakPolarHBondContact O-CG 3.38Å; I124-L128 PolarHBondContact O-N 2.74Å; G125-L128 PolarHBondContact O-N 2.63Å; L128-T132 VanDerWaalsContact O-CB 3.26Å; L128-T132 WeakPolarHBondContact O-CB 3.45Å; L128-T132 PolarHBondContact O-N 2.81Å; L128-T132 PolarHBondContact O-OG1 2.89Å
129I85.5Confident72.4Confident0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-69.7-39.6176.8-168.165.6000111.6A50 C54 P108 G125 C126 F127 T132 C133A50-I129 HydrophobicContact CB-CD1 4.26Å; A50-I129 WeakPolarHBondContact O-CD1 3.45Å; C54-I129 HydrophobicContact CB-CB 4.2Å; C54-I129 HydrophobicContact CB-CD1 3.57Å; C54-I129 HydrophobicContact CB-CG1 4.47Å; P108-I129 HydrophobicContact CG-CG1 4.13Å; G125-I129 WeakPolarHBondContact O-CG2 3.4Å; G125-I129 PolarHBondContact O-N 2.81Å; C126-I129 WeakPolarHBondContact O-CG2 3.37Å; C126-I129 PolarHBondContact O-N 3.01Å; F127-I129 PolarHBondContact O-N 3.02Å; I129-T132 PolarHBondContact O-N 2.75Å; I129-C133 PolarHBondContact O-N 2.92Å; I129-C133 PolarHBondContact O-SG 2.89Å
130E79.5Confident70Confident88 Ų8844.7 Ų44.741%0.41125%0.248SC..Hα-helixtrans-60.4-51.9175.4-171.4173.8-153.100110.6C126 F127 T132 C133 E134C126-E130 WeakPolarHBondContact O-CB 3.46Å; C126-E130 PolarHBondContact O-N 2.9Å; F127-E130 PolarHBondContact O-N 3.29Å; E130-T132 VanDerWaalsContact C-N 3.27Å; E130-T132 PolarHBondContact O-N 3.37Å; E130-C133 WeakPolarHBondContact O-CB 3.16Å; E130-C133 PolarHBondContact O-N 2.87Å; E130-E134 PolarHBondContact O-N 2.97Å
131Q75.2Confident67.8Low75 Ų7548.5 Ų48.535%0.3528%0.276SS..Hα-helixtrans-58.4-36.9175.1-75-167.2-36.400113.5F127 C133 E134 N135F127-Q131 HydrophobicContact CD1-CG 4.23Å; F127-Q131 HydrophobicContact CE1-CG 3.99Å; F127-Q131 HydrophobicContact CE2-CG 4.45Å; F127-Q131 VanDerWaalsContact CZ-CD 3.48Å; F127-Q131 HydrophobicContact CZ-CG 4.12Å; F127-Q131 WeakPolarHBondContact O-CB 3.48Å; F127-Q131 WeakPolarHBondContact O-CG 3.38Å; F127-Q131 PolarHBondContact O-N 3.04Å; Q131-C133 VanDerWaalsContact C-N 3.31Å; Q131-E134 PolarHBondContact O-N 2.9Å; Q131-N135 WeakPolarHBondContact O-CB 3.4Å; Q131-N135 PolarHBondContact O-N 3.33Å; Q131-N135 VanDerWaalsContact O-N 3.09Å; Q131-N135 PolarHBondContact O-ND2 2.76Å
132T76Confident65.2Low3 Ų356.3 Ų56.32%0.01832%0.318CS..Hα-helixtrans-67.9-35.2178.8-62.60000111.4R53 N57 L128 I129 E130R53-T132 HydrophobicContact CB-CG2 3.47Å; R53-T132 VanDerWaalsContact CB-CG2 3.47Å; R53-T132 HydrophobicContact CG-CG2 4.36Å; R53-T132 PolarHBondContact NH1-O 3.02Å; R53-T132 VanDerWaalsContact NH1-O 3.1Å; N57-T132 PolarHBondContact ND2-OG1 2.88Å; L128-T132 VanDerWaalsContact O-CB 3.26Å; L128-T132 WeakPolarHBondContact O-CB 3.45Å; L128-T132 PolarHBondContact O-N 2.81Å; L128-T132 PolarHBondContact O-OG1 2.89Å; I129-T132 PolarHBondContact O-N 2.75Å; E130-T132 VanDerWaalsContact C-N 3.27Å; E130-T132 PolarHBondContact O-N 3.37Å
133C70.7Confident62.7Low40 Ų4058 Ų5827%0.2733%0.33SS..Hα-helixtrans-75-33.3177.2-76.50000112.8I129 E130 Q131 Q136I129-C133 PolarHBondContact O-N 2.92Å; I129-C133 PolarHBondContact O-SG 2.89Å; E130-C133 WeakPolarHBondContact O-CB 3.16Å; E130-C133 PolarHBondContact O-N 2.87Å; Q131-C133 VanDerWaalsContact C-N 3.31Å; C133-Q136 WeakPolarHBondContact O-CG 3.12Å
134E61.3Low60.2Low129 Ų12963.3 Ų63.360%0.60336%0.358SS*.Hα-helixtrans-76.6-27.6175.7-69.4-176.5164.100113.8E130 Q131E130-E134 PolarHBondContact O-N 2.97Å; Q131-E134 PolarHBondContact O-N 2.9Å
135N56.1Low57.7Low99 Ų9972.5 Ų72.553%0.52940%0.395SS..SBendtrans-110.462.4-177.1-63.8-70.6000111.3R53 Q131R53-N135 PolarHBondContact NH2-O 2.94Å; Q131-N135 WeakPolarHBondContact O-CB 3.4Å; Q131-N135 PolarHBondContact O-N 3.33Å; Q131-N135 VanDerWaalsContact O-N 3.09Å; Q131-N135 PolarHBondContact O-ND2 2.76Å
136Q52.5Low55.2Low81 Ų8178.6 Ų78.638%0.37943%0.426SS..  trans-74.4132.8177.9-59.1-165.911.200111.7C133 G138 E139C133-Q136 WeakPolarHBondContact O-CG 3.12Å; Q136-G138 PolarHBondContact O-N 3.33Å; Q136-G138 VanDerWaalsContact O-N 3.15Å; Q136-E139 HydrophobicContact CB-CG 4.26Å; Q136-E139 WeakPolarHBondContact CB-OE2 3.42Å; Q136-E139 PolarHBondContact O-N 2.79Å; Q136-E139 VanDerWaalsContact O-N 3.09Å
137P49.1Very low52.5Low83 Ų8385 Ų8554%0.53946%0.458SS..THydrogen-bonded Turntrans-59.5119.1172.5-19.429.5000110R53 Y299R53-P137 VanDerWaalsContact NH1-CD 3.31Å; P137-Y299 VanDerWaalsContact CG-O 3.29Å; P137-Y299 WeakPolarHBondContact CG-O 3.21Å
138G42.8Very low50.1Low54 Ų5488.9 Ų88.956%0.55748%0.48SS*.THydrogen-bonded Turntrans106.7-13.3-177.700000114.3Q136Q136-G138 PolarHBondContact O-N 3.33Å; Q136-G138 VanDerWaalsContact O-N 3.15Å
139E36.9Very low47.7Very low115 Ų11594.1 Ų94.154%0.53751%0.508SS..SBendtrans-73.9127.8161.6-76.1177.814800108.4Q136 S141Q136-E139 HydrophobicContact CB-CG 4.26Å; Q136-E139 WeakPolarHBondContact CB-OE2 3.42Å; Q136-E139 PolarHBondContact O-N 2.79Å; Q136-E139 VanDerWaalsContact O-N 3.09Å; E139-S141 PolarHBondContact O-N 2.85Å
140C29.2Very low45.3Very low81 Ų81101.1 Ų101.155%0.54755%0.545SS..PPolyproline II helixtrans-59.7117168.1-67.90000106.2N142 C195C140-N142 PolarHBondContact O-N 2.8Å; C140-N142 VanDerWaalsContact O-N 3.15Å; C140-C195 PolarHBondContact SG-SG 3.07Å
141S32.6Very low42.9Very low100 Ų100103.2 Ų103.270%0.69956%0.559SS**PPolyproline II helixtrans-46131.8166.2-72.30000106.8E139 S143E139-S141 PolarHBondContact O-N 2.85Å; S141-S143 PolarHBondContact O-N 2.87Å
142N29.6Very low40.7Very low163 Ų163109.4 Ų109.487%0.87258%0.579SS**  trans-63.664.4168-99.3-18.1000108.7C140 N144C140-N142 PolarHBondContact O-N 2.8Å; C140-N142 VanDerWaalsContact O-N 3.15Å; N142-N144 PolarHBondContact O-N 2.77Å
143S33.6Very low38.5Very low48 Ų48114.9 Ų114.934%0.33661%0.613SS.*  trans-78.380.9172.1170.80000104.6S141 Y145 L146S141-S143 PolarHBondContact O-N 2.87Å; S143-Y145 PolarHBondContact O-N 2.9Å; S143-Y145 WeakPolarHBondContact OG-CB 3.35Å; S143-L146 PolarHBondContact O-N 2.97Å
144N29.7Very low36.7Very low119 Ų119118.8 Ų118.864%0.63664%0.637SS**THydrogen-bonded Turntrans-54.8-5.3158.7-80.7-27.3000111.8N142 L146N142-N144 PolarHBondContact O-N 2.77Å; N144-L146 VanDerWaalsContact C-N 3.34Å; N144-L146 PolarHBondContact O-N 2.7Å
145Y32.4Very low35.2Very low193 Ų193118.1 Ų118.176%0.75765%0.647SS**Hα-helixtrans-68.7-24.7173.6-62.2-75.6000113.8S143S143-Y145 PolarHBondContact O-N 2.9Å; S143-Y145 WeakPolarHBondContact OG-CB 3.35Å
146L35.4Very low34Very low127 Ų127119.7 Ų119.767%0.66565%0.654SS**Hα-helixtrans-83-22.7178.4-77165.9000114.1S143 N144S143-L146 PolarHBondContact O-N 2.97Å; N144-L146 VanDerWaalsContact C-N 3.34Å; N144-L146 PolarHBondContact O-N 2.7Å
147M29.1Very low32.9Very low139 Ų139123.7 Ų123.769%0.68568%0.678SS**Hα-helixtrans-80-20176.4-116.3-168.4-67.700112.9
148N30.7Very low31.9Very low119 Ų119127.2 Ų127.264%0.63669%0.687SS**Hα-helixtrans-81-19.4-179.5-129.611.7000113.3
149D33.3Very low31.1Very low121 Ų121131.4 Ų131.465%0.64770%0.697SS**THydrogen-bonded Turntrans-82.1-16.7178.1-76.3-23.2000113.6
150L35Very low30.7Very low147 Ų147133.1 Ų133.177%0.7771%0.71SS**THydrogen-bonded Turntrans-84.9-20.3175.2-85.7150.5000113.5
151N29.6Very low30.6Very low132 Ų132138.8 Ų138.871%0.70673%0.728SS**SBendtrans-94.4-0.9178.4-79-8.7000114.1T153N151-T153 VanDerWaalsContact C-N 3.26Å; N151-T153 PolarHBondContact O-N 2.61Å
152R29.8Very low30.3Very low205 Ų205139.3 Ų139.377%0.77473%0.727SS**  trans-81.482.2163.6-79.1-172.1178.7-142.90.4109.2
153T28.9Very low30.1Very low118 Ų118140.2 Ų140.272%0.72473%0.727SS**  trans-44.7120.216243.60000109.3N151 S155N151-T153 VanDerWaalsContact C-N 3.26Å; N151-T153 PolarHBondContact O-N 2.61Å; T153-S155 PolarHBondContact O-N 2.79Å
154P32.8Very low29.7Very low121 Ų121148.4 Ų148.479%0.78675%0.752SS**  trans-72.8104.5-175.6-416.9000109.2I156P154-I156 PolarHBondContact O-N 2.74Å
155S30Very low29.5Very low116 Ų116149.9 Ų149.981%0.81176%0.76SS**  trans-67.293.7159.3-660000107.6T153 N157T153-S155 PolarHBondContact O-N 2.79Å; S155-N157 PolarHBondContact O-N 2.8Å; S155-N157 VanDerWaalsContact O-N 3.12Å
156I30.6Very low29.1Very low132 Ų132144.2 Ų144.268%0.67776%0.76SS**  trans-19.1107.1157-67162.9000110.7P154 Q158P154-I156 PolarHBondContact O-N 2.74Å; I156-Q158 HydrophobicContact CG2-CG 4.17Å
157N29.8Very low28.7Very low165 Ų165148.1 Ų148.188%0.88277%0.766SS**  trans-130.7102.6144.3-97.2-29000106.7S155S155-N157 PolarHBondContact O-N 2.8Å; S155-N157 VanDerWaalsContact O-N 3.12Å
158Q28Very low28.4Very low156 Ų156151.4 Ų151.473%0.72978%0.776SS**  trans-55.2156.1170.1-66.8164.8-4.600109.3I156I156-Q158 HydrophobicContact CG2-CG 4.17Å
159N27.2Very low28Very low142 Ų142154.3 Ų154.376%0.75978%0.78SS**  trans98.576173.5-46.4-19.8000113.7
160N28.3Very low27.7Very low152 Ų152153.9 Ų153.981%0.81378%0.783SS**  -169.8108.9113.4-84.9-22.8000109.6T162N160-T162 PolarHBondContact O-N 2.79Å; N160-T162 VanDerWaalsContact O-N 3.14Å
161Q26.4Very low27.3Very low199 Ų199153.1 Ų153.193%0.9378%0.784SS**  trans-71.996.9177-67.2171.8-16.600109.5
162T26.4Very low27.2Very low111 Ų111153.1 Ų153.168%0.68179%0.789SS**  trans-123.278.116129.30000109.5N160 Y164N160-T162 PolarHBondContact O-N 2.79Å; N160-T162 VanDerWaalsContact O-N 3.14Å; T162-Y164 WeakPolarHBondContact O-CD2 3.41Å; T162-Y164 PolarHBondContact O-N 3.19Å
163Q25.1Very low27.1Very low183 Ų183150 Ų15086%0.85579%0.788SS**  trans16.569.2133.5-152.3173.610.700117
164Y24.8Very low26.8Very low220 Ų220151.8 Ų151.886%0.86379%0.793SS**  trans-99112.7162.6-93.4-86.7000109.5T162 G166T162-Y164 WeakPolarHBondContact O-CD2 3.41Å; T162-Y164 PolarHBondContact O-N 3.19Å; Y164-G166 PolarHBondContact O-N 3.45Å; Y164-G166 VanDerWaalsContact O-N 3.07Å
165N26.3Very low26.7Very low150 Ų150149.4 Ų149.480%0.80278%0.778SS**  trans-62.4103.1178.5-79.1-33.5000111.3R167N165-R167 PolarHBondContact O-N 3.19Å
166G24.4Very low26.8Very low74 Ų74148.3 Ų148.376%0.76378%0.776SS**  trans-65.9106.2170.900000111.8Y164 K168Y164-G166 PolarHBondContact O-N 3.45Å; Y164-G166 VanDerWaalsContact O-N 3.07Å; G166-K168 PolarHBondContact O-N 2.7Å
167R26.5Very low26.7Very low209 Ų209149.2 Ų149.279%0.78978%0.782SS**  trans-78.597.2162.7-77-176.9174.7-175.5-0.6108.7N165 Y169N165-R167 PolarHBondContact O-N 3.19Å; R167-Y169 HydrophobicContact CB-CE2 4.22Å; R167-Y169 PolarHBondContact O-N 3.4Å
168K22.9Very low26.5Very low207 Ų207148 Ų14890%0.978%0.776SS**  trans-68.8114.8167.3-81.6177.4172.6177.50109.1G166G166-K168 PolarHBondContact O-N 2.7Å
169Y22.8Very low26.7Very low181 Ų181145.9 Ų145.971%0.7178%0.777SS**  trans-91.3137.7167.8-71.7-82.8000110.1R167R167-Y169 HydrophobicContact CB-CE2 4.22Å; R167-Y169 PolarHBondContact O-N 3.4Å
170P26.2Very low27Very low112 Ų112148 Ų14873%0.72778%0.782SS**  trans-78.7135.3-178.728.1-28.3000112.3V172P170-V172 PolarHBondContact O-N 2.99Å
171V26.5Very low27.1Very low130 Ų130148.1 Ų148.179%0.78878%0.782SS**  trans-77111.6-179.2179.40000109.2
172V27.7Very low27.3Very low133 Ų133145.8 Ų145.881%0.80678%0.776SS**  trans-108.1124173-178.70000108.3P170P170-V172 PolarHBondContact O-N 2.99Å
173N27.6Very low27.6Very low139 Ų139144.1 Ų144.174%0.74377%0.768SS**  trans-120.446.2-148.9-146.933.5000112.2
174D23.3Very low28Very low156 Ų156145.1 Ų145.183%0.83477%0.769SS**  trans-124.525.1-159.4-135.59.8000116.5
175C31Very low28.2Very low71 Ų71139.4 Ų139.448%0.4876%0.757SS.*  trans-133.656-179.9-152.60000112.7Q197C175-Q197 PolarHBondContact O-NE2 2.87Å
176A31.7Very low28.4Very low92 Ų92136.8 Ų136.876%0.7675%0.749SS**SBendtrans-90.5-18.8174.100000114
177N27.3Very low28.9Very low152 Ų152138.6 Ų138.681%0.81374%0.74SS**SBendtrans-120.3-1.6-161.9-84.3-5.4000118.6
178N26.4Very low29.2Very low139 Ų139136 Ų13674%0.74374%0.737SS**  trans-125.628.1-171.4-81.6-11.1000116.3Q180N178-Q180 PolarHBondContact O-N 3Å
179C33Very low29.8Very low111 Ų111131.5 Ų131.575%0.7573%0.727SS**THydrogen-bonded Turntrans-75.221177.7-75.20000115.2
180Q32.8Very low30.5Very low188 Ų188127.5 Ų127.588%0.87972%0.724SS**THydrogen-bonded Turntrans-1246.6-171.3-147.4156.4-16.200114.8N178N178-Q180 PolarHBondContact O-N 3Å
181L30Very low31.1Very low153 Ų153126 Ų12680%0.80172%0.715SS**SBendtrans-131128.5176.6-129.478.4000109.8C183L181-C183 PolarHBondContact O-N 3.32Å
182D30.3Very low31.5Very low151 Ų151129 Ų12981%0.80772%0.718SS**  trans-27.1112.8179.5-66.3-50.1000113.8K184D182-K184 PolarHBondContact O-N 2.96Å
183C33Very low31.5Very low76 Ų76132.4 Ų132.451%0.51472%0.717SS.*  trans-56.999.5172.3-79.70000108.8L181 V185L181-C183 PolarHBondContact O-N 3.32Å; C183-V185 PolarHBondContact O-N 2.89Å
184K32.5Very low31.6Very low203 Ų203135.9 Ų135.988%0.88373%0.726SS**SBendtrans-65.914.3-179.9-89.9-175.1175.8-179.20114.7D182D182-K184 PolarHBondContact O-N 2.96Å
185V31Very low32Very low101 Ų101131.6 Ų131.661%0.61271%0.707SS**SBendtrans-122.7111.8171.3-168.30000107.5C183 L187C183-V185 PolarHBondContact O-N 2.89Å; V185-L187 PolarHBondContact O-N 3.14Å
186P29.7Very low32.2Very low95 Ų95133.3 Ų133.362%0.61772%0.718SS**THydrogen-bonded Turntrans-58.5126.4167.525.8-28.6000105.5
187L34.9Very low32.3Very low112 Ų112135.4 Ų135.459%0.58671%0.712SS**THydrogen-bonded Turntrans129.43.4170.2-61.8153.3000116V185 Y204V185-L187 PolarHBondContact O-N 3.14Å; L187-Y204 HydrophobicContact CD2-CE2 3.85Å; L187-Y204 WeakPolarHBondContact CD2-OH 3.37Å; L187-Y204 PolarHBondContact O-OH 2.79Å
188Q33.3Very low32.3Very low155 Ų155134.8 Ų134.872%0.72471%0.708SS**  trans-109141.1168.9-83.3-176.8-0.500113.1
189T34.7Very low32.4Very low112 Ų112134.2 Ų134.269%0.68771%0.714SS**  trans-116.3127.5170.645.30000109.6
190C37.5Very low32.2Very low96 Ų96133.6 Ų133.665%0.64971%0.707SS**PPolyproline II helixtrans-81.4124174.1-70.40000110.6K192C190-K192 PolarHBondContact O-N 2.89Å
191C38.5Very low32Very low80 Ų80131.6 Ų131.654%0.54170%0.703SS.*PPolyproline II helixtrans-76.6117.4170.3-58.30000109.4
192K34.9Very low32.4Very low194 Ų194127.4 Ų127.484%0.84369%0.686SS**PPolyproline II helixtrans-75.5133161.6-89177.4176.2171.20107.4C190C190-K192 PolarHBondContact O-N 2.89Å
193Y28.7Very low32.8Very low204 Ų204127.5 Ų127.580%0.869%0.685SS**SBendtrans94.4111.9-178.2-66.6-83.8000116.6C195Y193-C195 PolarHBondContact O-N 2.81Å
194K29.2Very low33.7Very low213 Ų213127.7 Ų127.793%0.92668%0.676SS**  trans24.732.9149-65.5-171.8176.8-178.80119.4
195C32.3Very low35Very low65 Ų65121.5 Ų121.544%0.43965%0.652SS.*  trans-79.4135.9168.8-77.20000109.6C140 Y193 Q197C140-C195 PolarHBondContact SG-SG 3.07Å; Y193-C195 PolarHBondContact O-N 2.81Å; C195-Q197 PolarHBondContact O-N 2.78Å
196P33.7Very low36.7Very low107 Ų107126 Ų12670%0.69566%0.664SS**  trans-59.9123.5165.426.2-28.9000107.1L198P196-L198 VanDerWaalsContact C-N 3.25Å; P196-L198 PolarHBondContact O-N 2.84Å
197Q34.2Very low38.8Very low137 Ų137125.2 Ų125.264%0.6465%0.654SS**  trans-65.976.5-165.6-164.1168.99.100111.3C175 C195 S199C175-Q197 PolarHBondContact O-NE2 2.87Å; C195-Q197 PolarHBondContact O-N 2.78Å; Q197-S199 PolarHBondContact O-N 2.8Å
198L27.9Very low40.8Very low138 Ų138120.6 Ų120.672%0.72363%0.63SS**  trans-88.1101.5169.4-84.5142.1000107.6P196 T200P196-L198 VanDerWaalsContact C-N 3.25Å; P196-L198 PolarHBondContact O-N 2.84Å; L198-T200 PolarHBondContact O-N 2.8Å; L198-T200 PolarHBondContact O-OG1 2.95Å
199S28.4Very low43.2Very low127 Ų127113.3 Ų113.389%0.88860%0.596SS**  trans-6480.2161.657.10000108.2Q197Q197-S199 PolarHBondContact O-N 2.8Å
200T28.8Very low45.4Very low98 Ų98109.9 Ų109.960%0.60158%0.576SS**  trans-94.2135173.8-30.90000106.6L198 S202L198-T200 PolarHBondContact O-N 2.8Å; L198-T200 PolarHBondContact O-OG1 2.95Å; T200-S202 PolarHBondContact O-N 2.85Å
201D29.1Very low47.4Very low147 Ų147110.3 Ų110.379%0.78656%0.564SS**  trans-48.5127166.7-68.1-45.3000107.9I203D201-I203 VanDerWaalsContact C-N 3.33Å; D201-I203 PolarHBondContact O-N 2.9Å
202S37.1Very low49.2Very low64 Ų64106.7 Ų106.745%0.44854%0.539SS..  trans-59.5101.4177.4-175.40000107.6T200 Y204T200-S202 PolarHBondContact O-N 2.85Å; S202-Y204 PolarHBondContact O-N 2.82Å
203I39.5Very low50.9Low153 Ų153103.7 Ų103.779%0.78553%0.531SS*.  trans-71.981.9168.2-54.6175.8000104.3D201 N205D201-I203 VanDerWaalsContact C-N 3.33Å; D201-I203 PolarHBondContact O-N 2.9Å; I203-N205 PolarHBondContact O-N 2.79Å
204Y52.2Low53Low81 Ų8198.9 Ų98.932%0.31852%0.519SS..  trans-50.8123.2170-79.4-77.8000107L187 S202 K206 R302L187-Y204 HydrophobicContact CD2-CE2 3.85Å; L187-Y204 WeakPolarHBondContact CD2-OH 3.37Å; L187-Y204 PolarHBondContact O-OH 2.79Å; S202-Y204 PolarHBondContact O-N 2.82Å; Y204-K206 PolarHBondContact O-N 2.91Å; Y204-R302 HydrophobicContact CD1-CG 4.47Å; Y204-R302 HydrophobicContact CE1-CG 4.42Å
205N59.8Low55.3Low73 Ų7389 Ų8939%0.3948%0.476SS..  trans-52.9118.1169.8178.6-11000106.7I203 L207 V208 Y299I203-N205 PolarHBondContact O-N 2.79Å; N205-L207 PolarHBondContact O-N 3.1Å; N205-L207 VanDerWaalsContact OD1-CB 3.22Å; N205-L207 WeakPolarHBondContact OD1-CB 3.21Å; N205-L207 WeakPolarHBondContact OD1-CG 3.19Å; N205-L207 PolarHBondContact OD1-N 3.4Å; N205-V208 HydrophobicContact CB-CG2 4.09Å; N205-V208 WeakPolarHBondContact O-CB 3.31Å; N205-V208 PolarHBondContact O-N 3.16Å; N205-Y299 WeakPolarHBondContact ND2-CD1 3.39Å
206K65.6Low57.4Low196 Ų19689.5 Ų89.585%0.85247%0.474SS*.THydrogen-bonded Turntrans-57.9-16.6-175.8-67.2-179.9179.8177.50112Y204Y204-K206 PolarHBondContact O-N 2.91Å
207L73.4Confident59.7Low78 Ų7887.3 Ų87.341%0.40846%0.462SS..THydrogen-bonded Turntrans-82-11.1176.7-51.5175.1000114.2N205 S297 Y299N205-L207 PolarHBondContact O-N 3.1Å; N205-L207 VanDerWaalsContact OD1-CB 3.22Å; N205-L207 WeakPolarHBondContact OD1-CB 3.21Å; N205-L207 WeakPolarHBondContact OD1-CG 3.19Å; N205-L207 PolarHBondContact OD1-N 3.4Å; L207-S297 PolarHBondContact O-OG 3.48Å; L207-Y299 HydrophobicContact CB-CD2 3.42Å; L207-Y299 VanDerWaalsContact CB-CD2 3.42Å; L207-Y299 HydrophobicContact CB-CE2 3.65Å; L207-Y299 HydrophobicContact CB-CG 3.91Å; L207-Y299 HydrophobicContact CD1-CD1 4.39Å; L207-Y299 HydrophobicContact CD1-CD2 4.21Å; L207-Y299 HydrophobicContact CD1-CE1 3.85Å; L207-Y299 HydrophobicContact CD1-CE2 3.69Å; L207-Y299 VanDerWaalsContact CD1-CZ 3.45Å; L207-Y299 HydrophobicContact CG-CD2 4.45Å; L207-Y299 HydrophobicContact CG-CE2 4.25Å
208V77.1Confident61.7Low14 Ų1486 Ų869%0.08546%0.458CS..SBendtrans-77.1128.6170.4-178.20000108.3N205 R302N205-V208 HydrophobicContact CB-CG2 4.09Å; N205-V208 WeakPolarHBondContact O-CB 3.31Å; N205-V208 PolarHBondContact O-N 3.16Å; V208-R302 HydrophobicContact CG1-CG 3.84Å; V208-R302 VanDerWaalsContact O-CZ 3.3Å; V208-R302 PolarHBondContact O-NH2 3.38Å
209P83.6Confident64.1Low3 Ų382.7 Ų82.72%0.01944%0.443CS..PPolyproline II helixtrans-59.7147.3-177.4-25.234.3000112.9Y235 I245 A295 S297 R302P209-Y235 HydrophobicContact CB-CE1 4.11Å; P209-I245 HydrophobicContact CB-CD1 4.25Å; P209-I245 HydrophobicContact CG-CD1 4.04Å; P209-I245 HydrophobicContact CG-CG1 4.07Å; P209-I245 HydrophobicContact CG-CG2 4.3Å; P209-A295 HydrophobicContact CB-CB 3.75Å; P209-A295 HydrophobicContact CG-CB 4.39Å; P209-S297 WeakPolarHBondContact CD-OG 3.38Å; P209-R302 WeakPolarHBondContact O-CD 3.48Å; P209-R302 WeakPolarHBondContact O-CG 3.41Å; P209-R302 PolarHBondContact O-NE 3.06Å
210P81.1Confident66.2Low40 Ų4078.5 Ų78.526%0.2641%0.414SS..PPolyproline II helixtrans-60.5145172.225.5-32.4000112.5Y235 I238 R302P210-Y235 HydrophobicContact CG-CD1 4.45Å; P210-Y235 HydrophobicContact CG-CE1 3.86Å; P210-Y235 PolarHBondContact O-OH 3.1Å; P210-I238 HydrophobicContact CG-CD1 3.69Å; P210-R302 VanDerWaalsContact CA-NH1 3.26Å
211R80.3Confident68Low105 Ų10579.9 Ų79.940%0.39643%0.428SS..PPolyproline II helixtrans-64.2131.2173.4-173.5-175.6-66.9-119.59107.8I213 R302 F304R211-I213 PolarHBondContact O-N 3.27Å; R211-R302 HydrophobicContact CB-CB 3.9Å; R211-R302 PolarHBondContact NE-O 2.93Å; R211-R302 PolarHBondContact NH2-O 2.85Å; R211-F304 WeakPolarHBondContact CD-O 3.37Å; R211-F304 PolarHBondContact NH1-O 2.99Å
212P75.9Confident70Confident4 Ų478.8 Ų78.83%0.02643%0.426CS..PPolyproline II helixtrans-59.7122.1177.6-17.825.7000111Y235 I293 G305P212-Y235 WeakPolarHBondContact CD-OH 3.43Å; P212-Y235 WeakPolarHBondContact CG-OH 3.47Å; P212-I293 HydrophobicContact CB-CG2 3.6Å; P212-I293 HydrophobicContact CG-CG2 3.63Å; P212-I293 WeakPolarHBondContact CG-O 3.25Å; P212-G305 WeakPolarHBondContact O-CA 3.36Å
213I70Confident71.5Confident130 Ų13079 Ų7967%0.66742%0.423SS*.SBendtrans-80.7-45.5-179.1-57.6172.2000110.1R211R211-I213 PolarHBondContact O-N 3.27Å
214L72.8Confident72.9Confident103 Ų10375 Ų7554%0.53941%0.412SS..  trans-146.3137178.6-176.364.6000110Q234L214-Q234 PolarHBondContact O-NE2 3.02Å
215L77.7Confident74.2Confident7 Ų774.6 Ų74.64%0.03742%0.416CS..  trans-98.3118.5172.7174.860.1000108.9S217 L229 W231 L249 F291 I293 T308L215-S217 PolarHBondContact O-N 3.45Å; L215-L229 HydrophobicContact CD1-CB 4.45Å; L215-L229 HydrophobicContact CD2-CD1 4.26Å; L215-L229 HydrophobicContact CD2-CD2 4.41Å; L215-L229 HydrophobicContact CG-CD2 4.41Å; L215-W231 HydrophobicContact CD1-CB 4Å; L215-W231 HydrophobicContact CD1-CD2 4.28Å; L215-W231 HydrophobicContact CD1-CE3 3.51Å; L215-W231 HydrophobicContact CD1-CZ3 4.29Å; L215-L249 HydrophobicContact CD2-CD1 4.04Å; L215-F291 HydrophobicContact CD2-CB 3.96Å; L215-I293 HydrophobicContact CB-CG2 4.36Å; L215-I293 HydrophobicContact CD1-CG2 4.31Å; L215-I293 HydrophobicContact CD2-CB 4.44Å; L215-I293 HydrophobicContact CD2-CG2 4.36Å; L215-T308 HydrophobicContact CB-CG2 3.77Å; L215-T308 HydrophobicContact CD2-CG2 3.77Å; L215-T308 HydrophobicContact CG-CG2 3.86Å
216N77.8Confident75.2Confident75 Ų7573.4 Ų73.440%0.40141%0.409SS..EExtended strand (participates in β ladder)trans-79.5123.2-178.7-69.3-18000110.2L229 S230N216-L229 WeakPolarHBondContact O-CA 3.49Å; N216-S230 PolarHBondContact N-O 3.3Å; N216-S230 PolarHBondContact O-N 3.37Å
217S80.4Confident76.3Confident61 Ų6164.1 Ų64.143%0.42737%0.368SS..EExtended strand (participates in β ladder)trans-112.2123.8173.862.30000110.4L215 L229L215-S217 PolarHBondContact O-N 3.45Å; S217-L229 VanDerWaalsContact CB-CD2 3.5Å
218I77.9Confident76.9Confident110 Ų11066 Ų6656%0.56437%0.373SS*.EExtended strand (participates in β ladder)trans-116123.3176-59.1167.4000107.7K228I218-K228 PolarHBondContact N-O 3.43Å; I218-K228 PolarHBondContact O-N 3.44Å
219V77.6Confident77.5Confident68 Ų6865.3 Ų65.341%0.41237%0.369SS..EExtended strand (participates in β ladder)trans-78.3133174.6-171.70000108.5S221 Y311V219-S221 PolarHBondContact O-N 3.39Å; V219-Y311 HydrophobicContact CG1-CE2 4.35Å; V219-Y311 WeakPolarHBondContact CG1-OH 2.98Å; V219-Y311 HydrophobicContact CG2-CD2 4.37Å; V219-Y311 HydrophobicContact CG2-CE2 3.57Å
220S73Confident77.7Confident38 Ų3866.8 Ų66.827%0.26638%0.38SS..  trans-63.9133.6177.6-172.50000110.4T222 N223 I226S220-T222 PolarHBondContact O-N 3.41Å; S220-T222 PolarHBondContact OG-N 3.46Å; S220-T222 PolarHBondContact OG-OG1 3.15Å; S220-N223 CarbonylContact O-C 3.48Å; S220-I226 PolarHBondContact N-O 3.31Å
221S65.8Low77.9Confident128 Ų12865.2 Ų65.290%0.89537%0.368SS*.SBendtrans-67.1-24.4175.455.80000113.1V219V219-S221 PolarHBondContact O-N 3.39Å
222T71.3Confident77.9Confident123 Ų12361.4 Ų61.476%0.75536%0.358SS*.SBendtrans-82.5-32.1-177.755.60000112.8S220S220-T222 PolarHBondContact O-N 3.41Å; S220-T222 PolarHBondContact OG-N 3.46Å; S220-T222 PolarHBondContact OG-OG1 3.15Å
223N67.7Low77.8Confident70 Ų7064.9 Ų64.937%0.37438%0.382SS..  trans-149.9114.4-175.8-171.6-10.6000109.9S220 N225 I226S220-N223 CarbonylContact O-C 3.48Å; N223-N225 PolarHBondContact O-N 3.41Å; N223-N225 WeakPolarHBondContact OD1-CB 3.47Å; N223-N225 PolarHBondContact OD1-N 3.41Å; N223-I226 HydrophobicContact CB-CD1 4.03Å; N223-I226 HydrophobicContact CB-CG1 4.14Å; N223-I226 PolarHBondContact O-N 3.33Å
224A70.5Confident78.2Confident69 Ų6961.2 Ų61.257%0.5736%0.362SS*.THydrogen-bonded Turntrans-65.8-4.7175.900000113.3Y311A224-Y311 PolarHBondContact O-OH 3.2Å
225N77.9Confident78.5Confident72 Ų7256.3 Ų56.339%0.38534%0.337SS..THydrogen-bonded Turntrans-948.1171.9-67-7.4000113.2N223 F283N223-N225 PolarHBondContact O-N 3.41Å; N223-N225 WeakPolarHBondContact OD1-CB 3.47Å; N223-N225 PolarHBondContact OD1-N 3.41Å; N225-F283 WeakPolarHBondContact O-CD2 3.38Å; N225-F283 WeakPolarHBondContact O-CE2 3.38Å
226I82.4Confident78.2Confident47 Ų4761.6 Ų61.624%0.24136%0.361CS..  trans-121.6123.2177.5-56.7176.9000109.7S220 N223 L280 E281S220-I226 PolarHBondContact N-O 3.31Å; N223-I226 HydrophobicContact CB-CD1 4.03Å; N223-I226 HydrophobicContact CB-CG1 4.14Å; N223-I226 PolarHBondContact O-N 3.33Å; I226-L280 WeakPolarHBondContact CA-O 3.23Å; I226-E281 HydrophobicContact CG1-CB 4.36Å
227I87.1Confident77.8Confident2 Ų265.9 Ų65.91%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-110.4133.9170.5-59169.9000109.4L229 N279 L280 F283 F291 Y311I227-L229 HydrophobicContact CG2-CD2 3.84Å; I227-L229 HydrophobicContact CG2-CG 4.17Å; I227-N279 WeakPolarHBondContact O-CA 3.25Å; I227-L280 PolarHBondContact N-O 3.42Å; I227-L280 PolarHBondContact O-N 3.05Å; I227-F283 HydrophobicContact CB-CE2 4.45Å; I227-F283 HydrophobicContact CB-CZ 4.18Å; I227-F283 HydrophobicContact CD1-CE1 4.02Å; I227-F283 HydrophobicContact CD1-CE2 3.98Å; I227-F283 HydrophobicContact CD1-CZ 3.42Å; I227-F283 VanDerWaalsContact CD1-CZ 3.42Å; I227-F283 HydrophobicContact CG1-CE2 3.84Å; I227-F283 HydrophobicContact CG1-CZ 3.72Å; I227-F291 HydrophobicContact CD1-CE2 4.21Å; I227-Y311 HydrophobicContact CD1-CD1 3.09Å; I227-Y311 HydrophobicContact CD1-CD2 3.49Å; I227-Y311 VanDerWaalsContact CD1-CD2 3.49Å; I227-Y311 HydrophobicContact CD1-CE1 3.3Å; I227-Y311 HydrophobicContact CD1-CE2 3.69Å; I227-Y311 HydrophobicContact CD1-CG 3.15Å; I227-Y311 HydrophobicContact CG1-CD1 3.89Å; I227-Y311 HydrophobicContact CG1-CD2 3.97Å; I227-Y311 HydrophobicContact CG1-CE1 3.53Å; I227-Y311 HydrophobicContact CG1-CE2 3.63Å; I227-Y311 HydrophobicContact CG1-CG 4.06Å
228K87.3Confident77.3Confident116 Ų11666.4 Ų66.450%0.50438%0.382SS..EExtended strand (participates in β ladder)trans-99.9116.9165-175165.1-173.7178.10110.1I218 N279I218-K228 PolarHBondContact N-O 3.43Å; I218-K228 PolarHBondContact O-N 3.44Å; K228-N279 WeakPolarHBondContact CD-OD1 3.34Å; K228-N279 VanDerWaalsContact CG-OD1 3.26Å; K228-N279 WeakPolarHBondContact CG-OD1 3.49Å
229L89Confident76.6Confident0 Ų063.5 Ų63.50%037%0.369CS..EExtended strand (participates in β ladder)trans-92.7132.5170.3-62.1178.5000108.9L215 N216 S217 I227 W231 L249 G277 A278 L280 F291L215-L229 HydrophobicContact CD1-CB 4.45Å; L215-L229 HydrophobicContact CD2-CD1 4.26Å; L215-L229 HydrophobicContact CD2-CD2 4.41Å; L215-L229 HydrophobicContact CG-CD2 4.41Å; N216-L229 WeakPolarHBondContact O-CA 3.49Å; S217-L229 VanDerWaalsContact CB-CD2 3.5Å; I227-L229 HydrophobicContact CG2-CD2 3.84Å; I227-L229 HydrophobicContact CG2-CG 4.17Å; L229-W231 HydrophobicContact CB-CE3 4.27Å; L229-W231 HydrophobicContact CB-CZ3 3.81Å; L229-L249 HydrophobicContact CD1-CD1 4.12Å; L229-L249 HydrophobicContact CD1-CD2 3.96Å; L229-G277 CarbonylContact O-C 3.57Å; L229-G277 WeakPolarHBondContact O-CA 3.48Å; L229-A278 PolarHBondContact N-O 3.07Å; L229-A278 PolarHBondContact O-N 2.55Å; L229-L280 HydrophobicContact CD1-CD1 3.51Å; L229-L280 HydrophobicContact CD1-CG 4.25Å; L229-L280 HydrophobicContact CG-CD1 4.25Å; L229-F291 HydrophobicContact CD1-CB 4.1Å; L229-F291 HydrophobicContact CD1-CD1 4.09Å; L229-F291 HydrophobicContact CD1-CD2 4.15Å; L229-F291 HydrophobicContact CD1-CG 3.82Å; L229-F291 HydrophobicContact CD2-CD2 4.46Å
230S88.5Confident75.9Confident35 Ų3563 Ų6325%0.24537%0.368CS..EExtended strand (participates in β ladder)trans-136.4136.2175.6-1740000111.1N216N216-S230 PolarHBondContact N-O 3.3Å; N216-S230 PolarHBondContact O-N 3.37Å
231W84.6Confident75.3Confident6 Ų665.7 Ų65.72%0.02338%0.383CS..  trans-131.819-178.850.889.7000112.4L215 L229 S233 Y235 F247 L249 T273 E275 F276 A278 I293L215-W231 HydrophobicContact CD1-CB 4Å; L215-W231 HydrophobicContact CD1-CD2 4.28Å; L215-W231 HydrophobicContact CD1-CE3 3.51Å; L215-W231 HydrophobicContact CD1-CZ3 4.29Å; L229-W231 HydrophobicContact CB-CE3 4.27Å; L229-W231 HydrophobicContact CB-CZ3 3.81Å; W231-S233 VanDerWaalsContact C-N 3.34Å; W231-S233 PolarHBondContact O-N 3.07Å; W231-Y235 VanDerWaalsContact O-CD2 3.32Å; W231-Y235 WeakPolarHBondContact O-CD2 3.28Å; W231-F247 AromaticContact CD1-CD1 3.71Å; W231-F247 AromaticContact CD1-CD2 3.94Å; W231-F247 AromaticContact CD1-CE1 3.62Å; W231-F247 AromaticContact CD1-CE2 3.85Å; W231-F247 AromaticContact CD1-CG 3.87Å; W231-F247 AromaticContact CD1-CZ 3.69Å; W231-F247 HydrophobicContact CZ2-CB 4.35Å; W231-F247 AromaticContact NE1-CD1 3.61Å; W231-F247 AromaticContact NE1-CD2 3.2Å; W231-F247 AromaticContact NE1-CE1 3.88Å; W231-F247 AromaticContact NE1-CE2 3.49Å; W231-F247 AromaticContact NE1-CG 3.26Å; W231-F247 VanDerWaalsContact NE1-CG 3.26Å; W231-F247 AromaticContact NE1-CZ 3.82Å; W231-L249 HydrophobicContact CH2-CD2 4.44Å; W231-T273 HydrophobicContact CZ2-CG2 4.01Å; W231-E275 WeakPolarHBondContact CZ2-O 3.25Å; W231-E275 PolarHBondContact NE1-O 2.9Å; W231-F276 VanDerWaalsContact CE2-C 3.48Å; W231-F276 PolarHBondContact N-O 3.48Å; W231-A278 HydrophobicContact CH2-CB 3.87Å; W231-A278 HydrophobicContact CZ3-CB 4.25Å; W231-I293 HydrophobicContact CB-CD1 4.06Å; W231-I293 HydrophobicContact CD2-CD1 3.26Å; W231-I293 VanDerWaalsContact CE2-CD1 3.42Å; W231-I293 HydrophobicContact CE3-CD1 3.75Å; W231-I293 HydrophobicContact CG-CD1 3.43Å; W231-I293 VanDerWaalsContact CG-CD1 3.43Å; W231-I293 HydrophobicContact CH2-CD1 4.35Å; W231-I293 HydrophobicContact CZ2-CD1 3.99Å; W231-I293 HydrophobicContact CZ3-CD1 4.24Å
232S79.8Confident75.2Confident26 Ų2663.4 Ų63.418%0.18236%0.36CS..G310 helixtrans-61.9-36.1-177.658.80000113.9Q234 Y235 Q236S232-Q234 VanDerWaalsContact C-N 3.26Å; S232-Q234 PolarHBondContact O-N 3.16Å; S232-Q234 VanDerWaalsContact O-N 3.1Å; S232-Y235 PolarHBondContact O-N 3.28Å; S232-Q236 WeakPolarHBondContact O-CG 3.31Å; S232-Q236 PolarHBondContact O-N 2.87Å
233S75.4Confident75.5Confident76 Ų7659 Ų5953%0.53133%0.331SS..G310 helixtrans-58.4-29.5-168.658.10000115.3W231W231-S233 VanDerWaalsContact C-N 3.34Å; W231-S233 PolarHBondContact O-N 3.07Å
234Q76.6Confident76.4Confident53 Ų5356.4 Ų56.425%0.24832%0.318CS..G310 helixtrans-91.1-18.2-178.4-68.6167.812.700113.2L214 S232 I238L214-Q234 PolarHBondContact O-NE2 3.02Å; S232-Q234 VanDerWaalsContact C-N 3.26Å; S232-Q234 PolarHBondContact O-N 3.16Å; S232-Q234 VanDerWaalsContact O-N 3.1Å; Q234-I238 WeakPolarHBondContact O-CD1 3.25Å
235Y80.5Confident77.3Confident0 Ų053.4 Ų53.40%029%0.293CS..THydrogen-bonded Turntrans-122.3-16.3-166.3-58.7-68.6000114.4P209 P210 P212 W231 S232 N237 I238 T239 I245 F247 A295P209-Y235 HydrophobicContact CB-CE1 4.11Å; P210-Y235 HydrophobicContact CG-CD1 4.45Å; P210-Y235 HydrophobicContact CG-CE1 3.86Å; P210-Y235 PolarHBondContact O-OH 3.1Å; P212-Y235 WeakPolarHBondContact CD-OH 3.43Å; P212-Y235 WeakPolarHBondContact CG-OH 3.47Å; W231-Y235 VanDerWaalsContact O-CD2 3.32Å; W231-Y235 WeakPolarHBondContact O-CD2 3.28Å; S232-Y235 PolarHBondContact O-N 3.28Å; Y235-N237 PolarHBondContact O-N 2.94Å; Y235-I238 HydrophobicContact CD1-CD1 4.46Å; Y235-I238 PolarHBondContact O-N 3.01Å; Y235-T239 PolarHBondContact O-N 3.22Å; Y235-T239 PolarHBondContact O-OG1 3.41Å; Y235-I245 HydrophobicContact CD1-CD1 3.97Å; Y235-F247 HydrophobicContact CD1-CE1 4.4Å; Y235-F247 AromaticContact CD2-CE1 3.49Å; Y235-F247 HydrophobicContact CD2-CE1 3.49Å; Y235-F247 VanDerWaalsContact CD2-CE1 3.49Å; Y235-F247 AromaticContact CD2-CZ 3.77Å; Y235-F247 HydrophobicContact CD2-CZ 3.77Å; Y235-F247 AromaticContact CE2-CE1 3.7Å; Y235-F247 HydrophobicContact CE2-CE1 3.7Å; Y235-F247 HydrophobicContact CE2-CZ 4.44Å; Y235-F247 AromaticContact CG-CE1 3.89Å; Y235-F247 HydrophobicContact CG-CE1 3.89Å; Y235-F247 AromaticContact CG-CZ 3.9Å; Y235-F247 HydrophobicContact CG-CZ 3.9Å; Y235-A295 HydrophobicContact CE1-CB 3.72Å; Y235-A295 HydrophobicContact CE2-CB 4.42Å
236Q71.6Confident78Confident118 Ų11850.1 Ų50.155%0.55128%0.275SS*.THydrogen-bonded Turntrans-52.1-39.4178.9-86.8173-17.100113.5S232 T239S232-Q236 WeakPolarHBondContact O-CG 3.31Å; S232-Q236 PolarHBondContact O-N 2.87Å; Q236-T239 PolarHBondContact O-OG1 3Å
237N69.7Low78.5Confident165 Ų16547.9 Ų47.988%0.88226%0.264SS*.THydrogen-bonded Turntrans-83.5-10.9-179.7-65.4-17.4000113.8Y235Y235-N237 PolarHBondContact O-N 2.94Å
238I68.4Low78.8Confident73 Ų7347.8 Ų47.837%0.37426%0.263SS..THydrogen-bonded Turntrans-100.7-28.1-174.5-55178.2000110.6P210 Q234 Y235 S240 I245P210-I238 HydrophobicContact CG-CD1 3.69Å; Q234-I238 WeakPolarHBondContact O-CD1 3.25Å; Y235-I238 HydrophobicContact CD1-CD1 4.46Å; Y235-I238 PolarHBondContact O-N 3.01Å; I238-S240 PolarHBondContact O-N 2.82Å; I238-I245 HydrophobicContact CB-CD1 4.47Å; I238-I245 HydrophobicContact CG2-CD1 4.15Å
239T63.2Low79.1Confident49 Ų4942.3 Ų42.330%0.30124%0.239SC..  trans-72.988.4178.249.40000111.1Y235 Q236 I245 F276Y235-T239 PolarHBondContact O-N 3.22Å; Y235-T239 PolarHBondContact O-OG1 3.41Å; Q236-T239 PolarHBondContact O-OG1 3Å; T239-I245 HydrophobicContact CG2-CB 4.3Å; T239-I245 HydrophobicContact CG2-CD1 3.79Å; T239-I245 HydrophobicContact CG2-CG1 4.05Å; T239-F276 HydrophobicContact CG2-CE1 3.91Å; T239-F276 HydrophobicContact CG2-CZ 3.62Å
240S63.3Low79.4Confident57 Ų5742.6 Ų42.640%0.39924%0.241SC..  trans-88.9154.8157.668.10000109.3I238 M242 N243I238-S240 PolarHBondContact O-N 2.82Å; S240-M242 PolarHBondContact O-N 2.86Å; S240-N243 CarbonylContact O-C 3.45Å; S240-N243 PolarHBondContact O-N 2.69Å
241T60.9Low79.6Confident94 Ų9442 Ų4258%0.57724%0.235SC*.THydrogen-bonded Turntrans-57.7-20.5174.142.30000113.1
242M64.1Low80.1Confident81 Ų8142.9 Ų42.940%0.39924%0.238SC..THydrogen-bonded Turntrans-75.6-24.6176.5-60.2-65.8122.900113.2R60 N64 S240R60-M242 VanDerWaalsContact CD-O 3.23Å; R60-M242 WeakPolarHBondContact CD-O 3.23Å; N64-M242 HydrophobicContact CB-CE 4.31Å; N64-M242 WeakPolarHBondContact ND2-CE 3.05Å; N64-M242 PolarHBondContact ND2-SD 3.37Å; S240-M242 PolarHBondContact O-N 2.86Å
243N77.4Confident80.9Confident29 Ų2944.4 Ų44.416%0.15524%0.243CC..SBendtrans-13566.7-172.2-67.261000110.9S240 Y299S240-N243 CarbonylContact O-C 3.45Å; S240-N243 PolarHBondContact O-N 2.69Å; N243-Y299 WeakPolarHBondContact ND2-CE2 3.36Å
244P87.2Confident81.8Confident16 Ų1640.8 Ų40.810%0.10422%0.218CC..  trans-61.9145179.327.3-35.2000111.5A56 L59 R60A56-P244 WeakPolarHBondContact O-CG 3.37Å; L59-P244 HydrophobicContact CB-CB 3.69Å; L59-P244 HydrophobicContact CB-CG 3.7Å; L59-P244 HydrophobicContact CD1-CB 4.01Å; L59-P244 HydrophobicContact CG-CB 4.44Å; R60-P244 HydrophobicContact CB-CG 3.89Å
245I89.4Confident82.8Confident7 Ų740.7 Ų40.74%0.03622%0.219CC..  trans-114.9129.8-179.7-57.8178.2000108.8P209 Y235 I238 T239 F247 A295 V296P209-I245 HydrophobicContact CB-CD1 4.25Å; P209-I245 HydrophobicContact CG-CD1 4.04Å; P209-I245 HydrophobicContact CG-CG1 4.07Å; P209-I245 HydrophobicContact CG-CG2 4.3Å; Y235-I245 HydrophobicContact CD1-CD1 3.97Å; I238-I245 HydrophobicContact CB-CD1 4.47Å; I238-I245 HydrophobicContact CG2-CD1 4.15Å; T239-I245 HydrophobicContact CG2-CB 4.3Å; T239-I245 HydrophobicContact CG2-CD1 3.79Å; T239-I245 HydrophobicContact CG2-CG1 4.05Å; I245-F247 HydrophobicContact CB-CZ 4.28Å; I245-F247 HydrophobicContact CG2-CD1 4.21Å; I245-F247 HydrophobicContact CG2-CE1 3.68Å; I245-F247 HydrophobicContact CG2-CE2 4.18Å; I245-F247 HydrophobicContact CG2-CZ 3.67Å; I245-A295 HydrophobicContact CG2-CB 3.92Å; I245-V296 WeakPolarHBondContact CA-O 3.46Å
246V92Very high83.5Confident2 Ų240.7 Ų40.71%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-106.8128.7171.1177.60000108.5A52 K55 A56 L59 M272 V296A52-V246 HydrophobicContact CB-CB 4.28Å; A52-V246 HydrophobicContact CB-CG1 3.91Å; K55-V246 HydrophobicContact CB-CG2 4.09Å; A56-V246 HydrophobicContact CB-CG2 4Å; L59-V246 HydrophobicContact CD1-CG2 4Å; V246-M272 HydrophobicContact CG1-CG 3.49Å; V246-M272 VanDerWaalsContact CG1-CG 3.49Å; V246-M272 HydrophobicContact CG1-SD 4.12Å; V246-V296 PolarHBondContact N-O 2.94Å; V246-V296 WeakPolarHBondContact O-CB 3.21Å; V246-V296 PolarHBondContact O-N 2.81Å
247F92.8Very high84.5Confident1 Ų139 Ų390%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-97.7138.3177.9-59-73.9000111W231 Y235 I245 M272 T273 E275 F276 I293 A294 A295W231-F247 AromaticContact CD1-CD1 3.71Å; W231-F247 AromaticContact CD1-CD2 3.94Å; W231-F247 AromaticContact CD1-CE1 3.62Å; W231-F247 AromaticContact CD1-CE2 3.85Å; W231-F247 AromaticContact CD1-CG 3.87Å; W231-F247 AromaticContact CD1-CZ 3.69Å; W231-F247 HydrophobicContact CZ2-CB 4.35Å; W231-F247 AromaticContact NE1-CD1 3.61Å; W231-F247 AromaticContact NE1-CD2 3.2Å; W231-F247 AromaticContact NE1-CE1 3.88Å; W231-F247 AromaticContact NE1-CE2 3.49Å; W231-F247 AromaticContact NE1-CG 3.26Å; W231-F247 VanDerWaalsContact NE1-CG 3.26Å; W231-F247 AromaticContact NE1-CZ 3.82Å; Y235-F247 HydrophobicContact CD1-CE1 4.4Å; Y235-F247 AromaticContact CD2-CE1 3.49Å; Y235-F247 HydrophobicContact CD2-CE1 3.49Å; Y235-F247 VanDerWaalsContact CD2-CE1 3.49Å; Y235-F247 AromaticContact CD2-CZ 3.77Å; Y235-F247 HydrophobicContact CD2-CZ 3.77Å; Y235-F247 AromaticContact CE2-CE1 3.7Å; Y235-F247 HydrophobicContact CE2-CE1 3.7Å; Y235-F247 HydrophobicContact CE2-CZ 4.44Å; Y235-F247 AromaticContact CG-CE1 3.89Å; Y235-F247 HydrophobicContact CG-CE1 3.89Å; Y235-F247 AromaticContact CG-CZ 3.9Å; Y235-F247 HydrophobicContact CG-CZ 3.9Å; I245-F247 HydrophobicContact CB-CZ 4.28Å; I245-F247 HydrophobicContact CG2-CD1 4.21Å; I245-F247 HydrophobicContact CG2-CE1 3.68Å; I245-F247 HydrophobicContact CG2-CE2 4.18Å; I245-F247 HydrophobicContact CG2-CZ 3.67Å; F247-M272 CarbonylContact O-C 3.56Å; F247-M272 VanDerWaalsContact O-CA 3.3Å; F247-M272 WeakPolarHBondContact O-CA 3.4Å; F247-T273 WeakPolarHBondContact CA-O 2.94Å; F247-T273 HydrophobicContact CB-CG2 4.48Å; F247-T273 PolarHBondContact N-O 3.48Å; F247-T273 PolarHBondContact O-N 3.01Å; F247-E275 VanDerWaalsContact CD2-O 3.27Å; F247-E275 WeakPolarHBondContact CD2-O 3.46Å; F247-F276 AromaticContact CE2-CD1 3.85Å; F247-F276 HydrophobicContact CE2-CD1 3.85Å; F247-F276 AromaticContact CE2-CE1 4Å; F247-F276 HydrophobicContact CE2-CE1 4Å; F247-F276 AromaticContact CZ-CD1 3.97Å; F247-F276 HydrophobicContact CZ-CD1 3.97Å; F247-F276 AromaticContact CZ-CE1 3.99Å; F247-F276 HydrophobicContact CZ-CE1 3.99Å; F247-I293 HydrophobicContact CB-CD1 4.02Å; F247-I293 HydrophobicContact CB-CG1 4.28Å; F247-I293 HydrophobicContact CD1-CD1 3.94Å; F247-I293 HydrophobicContact CD1-CG1 4.36Å; F247-I293 HydrophobicContact CG-CD1 4.21Å; F247-A294 VanDerWaalsContact CA-O 3.3Å; F247-A294 WeakPolarHBondContact CA-O 3.22Å; F247-A295 HydrophobicContact CD1-CB 4.04Å; F247-A295 HydrophobicContact CE1-CB 3.9Å
248I93.6Very high85.6Confident0 Ų036.4 Ų36.40%020%0.201CC..EExtended strand (participates in β ladder)trans-113.9113.7173.4-57164.3000107.1L48 F49 A52 Q250 T269 M272 I293 A294 V296 F304L48-I248 HydrophobicContact CD2-CD1 4.47Å; L48-I248 HydrophobicContact CD2-CG2 3.67Å; L48-I248 HydrophobicContact CG-CD1 4.08Å; L48-I248 HydrophobicContact CG-CG2 4.13Å; F49-I248 HydrophobicContact CD1-CD1 3.58Å; F49-I248 HydrophobicContact CE1-CD1 3.88Å; A52-I248 HydrophobicContact CB-CD1 3.78Å; A52-I248 HydrophobicContact CB-CG1 4.03Å; I248-Q250 HydrophobicContact CG2-CG 4.26Å; I248-T269 HydrophobicContact CG2-CG2 4.06Å; I248-M272 HydrophobicContact CG1-CE 4.16Å; I248-M272 HydrophobicContact CG1-CG 4.3Å; I248-I293 CarbonylContact O-C 3.57Å; I248-I293 VanDerWaalsContact O-CA 3.28Å; I248-I293 WeakPolarHBondContact O-CA 3.44Å; I248-A294 HydrophobicContact CB-CB 4.44Å; I248-A294 PolarHBondContact N-O 2.78Å; I248-A294 PolarHBondContact O-N 2.85Å; I248-V296 HydrophobicContact CD1-CG2 3.68Å; I248-V296 HydrophobicContact CG1-CG2 4.28Å; I248-F304 HydrophobicContact CB-CE1 4.1Å; I248-F304 HydrophobicContact CB-CZ 4.36Å; I248-F304 HydrophobicContact CG2-CE1 3.84Å; I248-F304 HydrophobicContact CG2-CZ 3.85Å
249L93.4Very high86.7Confident1 Ų135 Ų351%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-99.5124.8175.7-177.764000109.2L215 L229 W231 L270 I271 A278 F291 I293L215-L249 HydrophobicContact CD2-CD1 4.04Å; L229-L249 HydrophobicContact CD1-CD1 4.12Å; L229-L249 HydrophobicContact CD1-CD2 3.96Å; W231-L249 HydrophobicContact CH2-CD2 4.44Å; L249-L270 HydrophobicContact CD2-CD2 4.07Å; L249-L270 PolarHBondContact O-N 3.32Å; L249-I271 HydrophobicContact CB-CD1 4.48Å; L249-I271 HydrophobicContact CB-CG1 3.74Å; L249-I271 HydrophobicContact CD2-CD1 4.11Å; L249-I271 HydrophobicContact CD2-CG1 4.01Å; L249-I271 HydrophobicContact CG-CG1 4.45Å; L249-I271 PolarHBondContact N-O 2.91Å; L249-I271 PolarHBondContact O-N 2.95Å; L249-A278 HydrophobicContact CD2-CB 4.21Å; L249-F291 HydrophobicContact CD1-CB 4.19Å; L249-I293 HydrophobicContact CD1-CB 4.49Å
250Q94.3Very high88.2Confident6 Ų635.1 Ų35.13%0.02819%0.191CC..EExtended strand (participates in β ladder)trans-115.9152175.3-64.8-169.5-32.200111.3I248 W267 K268 T269 F291 R292 F304I248-Q250 HydrophobicContact CG2-CG 4.26Å; Q250-W267 HydrophobicContact CB-CB 4.42Å; Q250-W267 HydrophobicContact CB-CE3 3.96Å; Q250-K268 CarbonylContact C-O 3.52Å; Q250-K268 WeakPolarHBondContact CA-O 3.08Å; Q250-K268 WeakPolarHBondContact CB-O 3.5Å; Q250-T269 PolarHBondContact NE2-OG1 3.13Å; Q250-F291 VanDerWaalsContact O-CA 3.3Å; Q250-F291 WeakPolarHBondContact O-CA 3.24Å; Q250-R292 HydrophobicContact CB-CG 4.01Å; Q250-R292 PolarHBondContact N-O 3.09Å; Q250-R292 PolarHBondContact O-N 2.93Å; Q250-F304 HydrophobicContact CB-CE1 4.48Å; Q250-F304 HydrophobicContact CG-CE1 3.68Å; Q250-F304 HydrophobicContact CG-CZ 3.85Å
251I94.4Very high89.5Confident23 Ų2338.4 Ų38.412%0.11820%0.2CC..EExtended strand (participates in β ladder)trans-124.4146178.5-168.5174.5000109.7K268 L270 Y289 Q290 F291I251-K268 HydrophobicContact CG2-CB 4.45Å; I251-K268 PolarHBondContact N-O 2.72Å; I251-K268 PolarHBondContact O-N 3.49Å; I251-L270 HydrophobicContact CG2-CB 4.24Å; I251-L270 HydrophobicContact CG2-CD1 4.32Å; I251-Y289 HydrophobicContact CD1-CD1 3.63Å; I251-Y289 HydrophobicContact CD1-CE1 4.37Å; I251-Y289 HydrophobicContact CD1-CG 4.46Å; I251-Y289 HydrophobicContact CG1-CD1 4.29Å; I251-Q290 VanDerWaalsContact CA-O 3.32Å; I251-Q290 WeakPolarHBondContact CA-O 3.27Å; I251-F291 HydrophobicContact CB-CD1 4.1Å; I251-F291 HydrophobicContact CB-CE1 4.03Å; I251-F291 HydrophobicContact CD1-CD1 4.33Å; I251-F291 HydrophobicContact CD1-CE1 3.43Å; I251-F291 VanDerWaalsContact CD1-CE1 3.43Å; I251-F291 HydrophobicContact CD1-CZ 3.98Å; I251-F291 HydrophobicContact CG1-CD1 3.94Å; I251-F291 HydrophobicContact CG1-CE1 3.51Å; I251-F291 HydrophobicContact CG1-CZ 4.24Å
252R94.6Very high90.9Very high24 Ų2438.1 Ų38.19%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-132.4151162.567175.9178.2-176.11.7110.5E261 S265 W267 Y289 Q290R252-E261 IonicContact CZ-OE1 3.47Å; R252-E261 VanDerWaalsContact CZ-OE1 3.29Å; R252-E261 IonicContact NH1-OE1 3.49Å; R252-E261 PolarHBondContact NH1-OE1 2.74Å; R252-E261 IonicContact NH2-OE1 3.62Å; R252-E261 PolarHBondContact NH2-OE1 3.03Å; R252-S265 WeakPolarHBondContact CB-O 3.48Å; R252-W267 HydrophobicContact CB-CD2 4.06Å; R252-W267 HydrophobicContact CB-CE3 3.88Å; R252-W267 HydrophobicContact CB-CZ3 4.18Å; R252-W267 VanDerWaalsContact CD-CZ2 3.49Å; R252-W267 HydrophobicContact CG-CD2 4.09Å; R252-W267 HydrophobicContact CG-CE3 3.92Å; R252-W267 HydrophobicContact CG-CH2 3.75Å; R252-W267 HydrophobicContact CG-CZ2 3.9Å; R252-W267 HydrophobicContact CG-CZ3 3.75Å; R252-W267 VanDerWaalsContact NE-CZ2 3.28Å; R252-Y289 WeakPolarHBondContact O-CA 3.33Å; R252-Q290 HydrophobicContact CG-CB 3.91Å; R252-Q290 PolarHBondContact N-O 2.95Å; R252-Q290 PolarHBondContact O-N 3.12Å
253I95.3Very high92.2Very high57 Ų5740.3 Ų40.329%0.29221%0.206SC..EExtended strand (participates in β ladder)trans-123.8133.6-170.1-50.8177.8000109.1A264 S265 R287 L288 Y289I253-A264 CarbonylContact O-C 3.59Å; I253-A264 WeakPolarHBondContact O-CA 3.5Å; I253-S265 PolarHBondContact N-OG 2.55Å; I253-S265 PolarHBondContact O-N 3.4Å; I253-R287 HydrophobicContact CG2-CB 4Å; I253-R287 HydrophobicContact CG2-CG 3.86Å; I253-L288 CarbonylContact C-O 3.59Å; I253-L288 WeakPolarHBondContact CA-O 3.21Å; I253-Y289 HydrophobicContact CD1-CD1 4.32Å; I253-Y289 HydrophobicContact CD1-CE1 3.93Å; I253-Y289 HydrophobicContact CG1-CD1 3.83Å; I253-Y289 HydrophobicContact CG1-CE1 3.9Å; I253-Y289 HydrophobicContact CG2-CD1 4.35Å; I253-Y289 HydrophobicContact CG2-CE1 4.07Å
254C95.9Very high93Very high0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-117.3126.4171.9-161.60000108.3C256 F259 D260 A264 R287 L288C254-C256 HydrophobicContact CB-CB 3.92Å; C254-C256 WeakPolarHBondContact CB-SG 3.4Å; C254-C256 PolarHBondContact O-N 3.1Å; C254-C256 VanDerWaalsContact O-N 3.09Å; C254-C256 WeakPolarHBondContact SG-CB 3.22Å; C254-C256 CovalentContact SG-SG 2.04Å; C254-C256 PolarHBondContact SG-SG 2.8Å; C254-F259 HydrophobicContact CB-CD2 3.8Å; C254-F259 HydrophobicContact CB-CE2 3.76Å; C254-D260 PolarHBondContact SG-O 2.87Å; C254-A264 HydrophobicContact CB-CB 4.37Å; C254-R287 CarbonylContact O-C 3.6Å; C254-R287 WeakPolarHBondContact O-CA 3.34Å; C254-L288 HydrophobicContact CB-CB 4.28Å; C254-L288 PolarHBondContact N-O 3Å; C254-L288 PolarHBondContact O-N 3.06Å
255I96Very high93.3Very high52 Ų5241.6 Ų41.627%0.26722%0.219SC..  trans-85.973.1173.1-59171.7000108.3G286 R287 L354 P355 H416I255-G286 CarbonylContact C-O 3.59Å; I255-G286 WeakPolarHBondContact CA-O 3.24Å; I255-R287 HydrophobicContact CG1-CG 4.1Å; I255-L354 HydrophobicContact CG2-CD1 3.83Å; I255-L354 HydrophobicContact CG2-CD2 3.56Å; I255-L354 HydrophobicContact CG2-CG 4.24Å; I255-P355 HydrophobicContact CD1-CG 3.64Å; I255-H416 WeakPolarHBondContact O-CB 3.48Å; I255-H416 PolarHBondContact O-N 2.81Å; I255-H416 VanDerWaalsContact O-N 3.15Å
256C95Very high93.4Very high0 Ų046.6 Ų46.60%025%0.25CC..BIsolated β-bridgetrans-144.1147.8-159.6-48.30000111.3C254 V258 G286 L288 W415 H416C254-C256 HydrophobicContact CB-CB 3.92Å; C254-C256 WeakPolarHBondContact CB-SG 3.4Å; C254-C256 PolarHBondContact O-N 3.1Å; C254-C256 VanDerWaalsContact O-N 3.09Å; C254-C256 WeakPolarHBondContact SG-CB 3.22Å; C254-C256 CovalentContact SG-SG 2.04Å; C254-C256 PolarHBondContact SG-SG 2.8Å; C256-V258 VanDerWaalsContact CB-O 3.23Å; C256-V258 WeakPolarHBondContact CB-O 3.16Å; C256-G286 PolarHBondContact N-O 2.94Å; C256-L288 HydrophobicContact CB-CD1 4.3Å; C256-L288 WeakPolarHBondContact O-CD1 3.38Å; C256-W415 PolarHBondContact O-NE1 3.02Å; C256-H416 HydrophobicContact CB-CB 4.19Å
257Q92.9Very high93.4Very high81 Ų8149.1 Ų49.138%0.37926%0.259SS..SBendtrans-76.8-42.9171.5-176.5-178.27.700111.2W415 H416Q257-W415 HydrophobicContact CB-CH2 3.9Å; Q257-W415 HydrophobicContact CB-CZ2 3.74Å; Q257-W415 HydrophobicContact CB-CZ3 4.37Å; Q257-W415 HydrophobicContact CG-CH2 3.82Å; Q257-W415 HydrophobicContact CG-CZ2 4.08Å; Q257-W415 HydrophobicContact CG-CZ3 4.4Å; Q257-H416 PolarHBondContact N-O 3Å
258V92.8Very high93.4Very high111 Ų11156.1 Ų56.167%0.67329%0.29SS*.SBendtrans-119.5139.8171.1179.40000107.1C256 D260C256-V258 VanDerWaalsContact CB-O 3.23Å; C256-V258 WeakPolarHBondContact CB-O 3.16Å; V258-D260 PolarHBondContact O-N 3.45Å
259F93.3Very high93.3Very high45 Ų4558.5 Ų58.520%0.19731%0.305CS..  trans-64.3122.2-175.5-171.5-89.4000110.8C254 E261 A264 L288 Q290 A310C254-F259 HydrophobicContact CB-CD2 3.8Å; C254-F259 HydrophobicContact CB-CE2 3.76Å; F259-E261 HydrophobicContact CE1-CB 4.23Å; F259-A264 HydrophobicContact CE2-CB 4.27Å; F259-A264 HydrophobicContact CZ-CB 3.8Å; F259-L288 HydrophobicContact CB-CD1 3.91Å; F259-L288 HydrophobicContact CD2-CB 3.99Å; F259-L288 VanDerWaalsContact N-CD1 3.25Å; F259-Q290 HydrophobicContact CD2-CG 4.15Å; F259-Q290 VanDerWaalsContact CE1-CD 3.43Å; F259-Q290 HydrophobicContact CE1-CG 4.45Å; F259-Q290 VanDerWaalsContact CE1-OE1 3.26Å; F259-Q290 HydrophobicContact CE2-CB 4.41Å; F259-Q290 HydrophobicContact CE2-CG 3.71Å; F259-Q290 HydrophobicContact CZ-CG 3.9Å; F259-A310 HydrophobicContact CB-CB 3.52Å; F259-A310 HydrophobicContact CD2-CB 3.62Å; F259-A310 HydrophobicContact CG-CB 3.66Å
260D92.8Very high93.2Very high51 Ų5161.9 Ų61.927%0.27332%0.322SS..  trans-123.7119.3172.9-174.3-21.5000108.7C254 V258 S262 Y263 A264 H416C254-D260 PolarHBondContact SG-O 2.87Å; V258-D260 PolarHBondContact O-N 3.45Å; D260-S262 PolarHBondContact O-N 2.77Å; D260-S262 WeakPolarHBondContact OD1-CB 3.3Å; D260-S262 PolarHBondContact OD1-N 3.12Å; D260-S262 PolarHBondContact OD1-OG 3.35Å; D260-S262 PolarHBondContact OD2-OG 3.18Å; D260-Y263 HydrophobicContact CB-CD2 4.23Å; D260-Y263 PolarHBondContact O-N 2.85Å; D260-A264 PolarHBondContact O-N 2.86Å; D260-H416 IonicContact OD2-CE1 3.61Å; D260-H416 IonicContact OD2-NE2 3.18Å; D260-H416 PolarHBondContact OD2-NE2 2.79Å
261E91Very high93Very high126 Ų12664.6 Ų64.659%0.58934%0.336SS*.G310 helixtrans-63.2-27.2-178.7-176.9157.5-143.900113.1R252 F259 Y263 A264R252-E261 IonicContact CZ-OE1 3.47Å; R252-E261 VanDerWaalsContact CZ-OE1 3.29Å; R252-E261 IonicContact NH1-OE1 3.49Å; R252-E261 PolarHBondContact NH1-OE1 2.74Å; R252-E261 IonicContact NH2-OE1 3.62Å; R252-E261 PolarHBondContact NH2-OE1 3.03Å; F259-E261 HydrophobicContact CE1-CB 4.23Å; E261-Y263 VanDerWaalsContact C-N 3.26Å; E261-Y263 PolarHBondContact O-N 2.87Å; E261-A264 PolarHBondContact O-N 2.86Å
262S91.3Very high92.9Very high88 Ų8865.3 Ų65.362%0.61534%0.339SS*.G310 helixtrans-69.5-22.8177.867.50000113.7D260D260-S262 PolarHBondContact O-N 2.77Å; D260-S262 WeakPolarHBondContact OD1-CB 3.3Å; D260-S262 PolarHBondContact OD1-N 3.12Å; D260-S262 PolarHBondContact OD1-OG 3.35Å; D260-S262 PolarHBondContact OD2-OG 3.18Å
263Y91.1Very high92.7Very high127 Ų12765.4 Ų65.450%0.49834%0.343SS..G310 helixtrans-106.22.5176.8-70-91.3000112.9D260 E261 H416D260-Y263 HydrophobicContact CB-CD2 4.23Å; D260-Y263 PolarHBondContact O-N 2.85Å; E261-Y263 VanDerWaalsContact C-N 3.26Å; E261-Y263 PolarHBondContact O-N 2.87Å; Y263-H416 AromaticContact CD1-ND1 3.92Å; Y263-H416 AromaticContact CD2-CE1 3.4Å; Y263-H416 VanDerWaalsContact CD2-CE1 3.4Å; Y263-H416 WeakPolarHBondContact CD2-CE1 3.34Å; Y263-H416 AromaticContact CD2-ND1 3.39Å; Y263-H416 WeakPolarHBondContact CD2-ND1 3.44Å; Y263-H416 AromaticContact CE1-ND1 3.81Å; Y263-H416 AromaticContact CE2-CE1 3.18Å; Y263-H416 WeakPolarHBondContact CE2-CE1 3.32Å; Y263-H416 AromaticContact CE2-ND1 3.29Å; Y263-H416 VanDerWaalsContact CE2-ND1 3.29Å; Y263-H416 WeakPolarHBondContact CE2-ND1 3.25Å; Y263-H416 AromaticContact CG-ND1 3.72Å; Y263-H416 AromaticContact CZ-CE1 3.79Å; Y263-H416 AromaticContact CZ-ND1 3.5Å
264A93.9Very high92.4Very high19 Ų1967.4 Ų67.416%0.15735%0.351CS..BIsolated β-bridgetrans-77.6145.2176.400000110.9I253 C254 F259 D260 E261I253-A264 CarbonylContact O-C 3.59Å; I253-A264 WeakPolarHBondContact O-CA 3.5Å; C254-A264 HydrophobicContact CB-CB 4.37Å; F259-A264 HydrophobicContact CE2-CB 4.27Å; F259-A264 HydrophobicContact CZ-CB 3.8Å; D260-A264 PolarHBondContact O-N 2.86Å; E261-A264 PolarHBondContact O-N 2.86Å
265S93.9Very high92Very high53 Ų5373.2 Ų73.237%0.37138%0.378SS..PPolyproline II helixtrans-61162170.476.20000111.1R252 I253R252-S265 WeakPolarHBondContact CB-O 3.48Å; I253-S265 PolarHBondContact N-OG 2.55Å; I253-S265 PolarHBondContact O-N 3.4Å
266T91.6Very high91.6Very high111 Ų11174 Ų7468%0.68138%0.379SS*.PPolyproline II helixtrans-60.6159.216356.60000110.5K268T266-K268 PolarHBondContact O-N 2.88Å
267W92.3Very high91.2Very high55 Ų5575 Ų7521%0.20839%0.39CS..PPolyproline II helixtrans-69.1127.9177.4-70.8101.9000111Q250 R252 Q290 R292Q250-W267 HydrophobicContact CB-CB 4.42Å; Q250-W267 HydrophobicContact CB-CE3 3.96Å; R252-W267 HydrophobicContact CB-CD2 4.06Å; R252-W267 HydrophobicContact CB-CE3 3.88Å; R252-W267 HydrophobicContact CB-CZ3 4.18Å; R252-W267 VanDerWaalsContact CD-CZ2 3.49Å; R252-W267 HydrophobicContact CG-CD2 4.09Å; R252-W267 HydrophobicContact CG-CE3 3.92Å; R252-W267 HydrophobicContact CG-CH2 3.75Å; R252-W267 HydrophobicContact CG-CZ2 3.9Å; R252-W267 HydrophobicContact CG-CZ3 3.75Å; R252-W267 VanDerWaalsContact NE-CZ2 3.28Å; W267-Q290 HydrophobicContact CH2-CB 3.98Å; W267-Q290 WeakPolarHBondContact CZ3-O 3.45Å; W267-R292 HydrophobicContact CD2-CG 3.95Å; W267-R292 VanDerWaalsContact CD2-NE 3.33Å; W267-R292 VanDerWaalsContact CE2-CD 3.47Å; W267-R292 HydrophobicContact CE3-CB 4.5Å; W267-R292 HydrophobicContact CE3-CG 3.67Å; W267-R292 VanDerWaalsContact CG-NE 3.31Å; W267-R292 HydrophobicContact CH2-CB 3.83Å; W267-R292 HydrophobicContact CH2-CG 3.85Å; W267-R292 HydrophobicContact CZ2-CB 4.29Å; W267-R292 HydrophobicContact CZ2-CG 4.13Å; W267-R292 HydrophobicContact CZ3-CB 3.95Å; W267-R292 HydrophobicContact CZ3-CG 3.62Å
268K92.5Very high91.1Very high149 Ų14971.9 Ų71.965%0.64838%0.378SS*.EExtended strand (participates in β ladder)trans-115.4136.7176.2-175.6177.5177.9-178.80110.3Q250 I251 T266 L270Q250-K268 CarbonylContact C-O 3.52Å; Q250-K268 WeakPolarHBondContact CA-O 3.08Å; Q250-K268 WeakPolarHBondContact CB-O 3.5Å; I251-K268 HydrophobicContact CG2-CB 4.45Å; I251-K268 PolarHBondContact N-O 2.72Å; I251-K268 PolarHBondContact O-N 3.49Å; T266-K268 PolarHBondContact O-N 2.88Å; K268-L270 PolarHBondContact O-N 3.09Å
269T91.2Very high90.9Very high50 Ų5071.9 Ų71.931%0.30737%0.374SS..EExtended strand (participates in β ladder)trans-67.5121.1173.1-53.80000110.8L48 I248 Q250L48-T269 HydrophobicContact CD1-CG2 4.18Å; L48-T269 WeakPolarHBondContact CD2-OG1 3.33Å; I248-T269 HydrophobicContact CG2-CG2 4.06Å; Q250-T269 PolarHBondContact NE2-OG1 3.13Å
270L90.7Very high90.7Very high71 Ų7170.9 Ų70.937%0.37237%0.371SS..EExtended strand (participates in β ladder)trans-87.5-54176.6-172.363.2000109.9L249 I251 K268 L280 F291L249-L270 HydrophobicContact CD2-CD2 4.07Å; L249-L270 PolarHBondContact O-N 3.32Å; I251-L270 HydrophobicContact CG2-CB 4.24Å; I251-L270 HydrophobicContact CG2-CD1 4.32Å; K268-L270 PolarHBondContact O-N 3.09Å; L270-L280 HydrophobicContact CD2-CD1 3.96Å; L270-L280 HydrophobicContact CD2-CD2 3.56Å; L270-L280 HydrophobicContact CD2-CG 4.44Å; L270-F291 HydrophobicContact CD2-CE1 4.32Å
271I91.6Very high90.4Very high63 Ų6375.5 Ų75.532%0.32339%0.391SS..EExtended strand (participates in β ladder)trans-147.8158.9178.759.2171.6000111.6L249 T273 A278L249-I271 HydrophobicContact CB-CD1 4.48Å; L249-I271 HydrophobicContact CB-CG1 3.74Å; L249-I271 HydrophobicContact CD2-CD1 4.11Å; L249-I271 HydrophobicContact CD2-CG1 4.01Å; L249-I271 HydrophobicContact CG-CG1 4.45Å; L249-I271 PolarHBondContact N-O 2.91Å; L249-I271 PolarHBondContact O-N 2.95Å; I271-T273 HydrophobicContact CD1-CG2 4.02Å; I271-A278 HydrophobicContact CD1-CB 3.74Å
272M91.7Very high90Very high38 Ų3873.6 Ų73.619%0.18740%0.396CS..EExtended strand (participates in β ladder)trans-126.8117.4167.7-174.6-176.3-65.200107.8L48 R51 A52 K55 V246 F247 I248L48-M272 HydrophobicContact CD1-CE 3.62Å; L48-M272 HydrophobicContact CG-CE 4.31Å; R51-M272 HydrophobicContact CB-CE 3.94Å; R51-M272 HydrophobicContact CB-SD 4.43Å; A52-M272 HydrophobicContact CB-CE 4.1Å; A52-M272 HydrophobicContact CB-SD 3.91Å; K55-M272 HydrophobicContact CD-CG 4.46Å; K55-M272 HydrophobicContact CD-SD 3.6Å; K55-M272 VanDerWaalsContact CD-SD 3.6Å; V246-M272 HydrophobicContact CG1-CG 3.49Å; V246-M272 VanDerWaalsContact CG1-CG 3.49Å; V246-M272 HydrophobicContact CG1-SD 4.12Å; F247-M272 CarbonylContact O-C 3.56Å; F247-M272 VanDerWaalsContact O-CA 3.3Å; F247-M272 WeakPolarHBondContact O-CA 3.4Å; I248-M272 HydrophobicContact CG1-CE 4.16Å; I248-M272 HydrophobicContact CG1-CG 4.3Å
273T91Very high89.8Confident26 Ų2670.7 Ų70.716%0.1637%0.372CS..EExtended strand (participates in β ladder)trans-144156.7-168.8-174.60000111.5W231 F247 I271 E275W231-T273 HydrophobicContact CZ2-CG2 4.01Å; F247-T273 WeakPolarHBondContact CA-O 2.94Å; F247-T273 HydrophobicContact CB-CG2 4.48Å; F247-T273 PolarHBondContact N-O 3.48Å; F247-T273 PolarHBondContact O-N 3.01Å; I271-T273 HydrophobicContact CD1-CG2 4.02Å; T273-E275 HydrophobicContact CG2-CB 4.45Å; T273-E275 WeakPolarHBondContact OG1-CB 3.44Å; T273-E275 PolarHBondContact OG1-N 3.01Å
274H87.2Confident89.8Confident100 Ų10069.5 Ų69.546%0.46337%0.371SS..SBendtrans-97.80.9168.564.1-79.3000111.9L59L59-H274 HydrophobicContact CD1-CB 3.92Å
275E88.2Confident89.8Confident122 Ų12270.4 Ų70.457%0.5738%0.376SS*.SBendtrans-78.4155.6176-62.8-156.1-169.200112.7W231 F247 T273 G277W231-E275 WeakPolarHBondContact CZ2-O 3.25Å; W231-E275 PolarHBondContact NE1-O 2.9Å; F247-E275 VanDerWaalsContact CD2-O 3.27Å; F247-E275 WeakPolarHBondContact CD2-O 3.46Å; T273-E275 HydrophobicContact CG2-CB 4.45Å; T273-E275 WeakPolarHBondContact OG1-CB 3.44Å; T273-E275 PolarHBondContact OG1-N 3.01Å; E275-G277 VanDerWaalsContact C-N 3.31Å; E275-G277 PolarHBondContact O-N 2.99Å
276F88.1Confident89.7Confident68 Ų6867.9 Ų67.930%0.29836%0.358SS..SBendtrans-90.315.5-176.2-64.2-73000114.8W231 T239 F247W231-F276 VanDerWaalsContact CE2-C 3.48Å; W231-F276 PolarHBondContact N-O 3.48Å; T239-F276 HydrophobicContact CG2-CE1 3.91Å; T239-F276 HydrophobicContact CG2-CZ 3.62Å; F247-F276 AromaticContact CE2-CD1 3.85Å; F247-F276 HydrophobicContact CE2-CD1 3.85Å; F247-F276 AromaticContact CE2-CE1 4Å; F247-F276 HydrophobicContact CE2-CE1 4Å; F247-F276 AromaticContact CZ-CD1 3.97Å; F247-F276 HydrophobicContact CZ-CD1 3.97Å; F247-F276 AromaticContact CZ-CE1 3.99Å; F247-F276 HydrophobicContact CZ-CE1 3.99Å
277G87.1Confident89.9Confident21 Ų2163.9 Ų63.922%0.21633%0.331CS..EExtended strand (participates in β ladder)trans-172.2170.7179.400000113.3L229 E275L229-G277 CarbonylContact O-C 3.57Å; L229-G277 WeakPolarHBondContact O-CA 3.48Å; E275-G277 VanDerWaalsContact C-N 3.31Å; E275-G277 PolarHBondContact O-N 2.99Å
278A89.4Confident90Very high16 Ų1661.5 Ų61.513%0.13232%0.322CS..EExtended strand (participates in β ladder)trans-148.2144.117300000110.2L229 W231 L249 I271 L280L229-A278 PolarHBondContact N-O 3.07Å; L229-A278 PolarHBondContact O-N 2.55Å; W231-A278 HydrophobicContact CH2-CB 3.87Å; W231-A278 HydrophobicContact CZ3-CB 4.25Å; L249-A278 HydrophobicContact CD2-CB 4.21Å; I271-A278 HydrophobicContact CD1-CB 3.74Å; A278-L280 HydrophobicContact CB-CD2 4.42Å
279N89.3Confident90.1Very high111 Ų11155 Ų5559%0.59429%0.293SS*.EExtended strand (participates in β ladder)trans-100.3126.8169.8-62.6-36.1000108.2I227 K228I227-N279 WeakPolarHBondContact O-CA 3.25Å; K228-N279 WeakPolarHBondContact CD-OD1 3.34Å; K228-N279 VanDerWaalsContact CG-OD1 3.26Å; K228-N279 WeakPolarHBondContact CG-OD1 3.49Å
280L88.9Confident90.2Very high23 Ų2353.6 Ų53.612%0.1228%0.284CS..EExtended strand (participates in β ladder)trans-115.5133-178.7-56.7-174.1000109.5I226 I227 L229 L270 A278 F283 F291I226-L280 WeakPolarHBondContact CA-O 3.23Å; I227-L280 PolarHBondContact N-O 3.42Å; I227-L280 PolarHBondContact O-N 3.05Å; L229-L280 HydrophobicContact CD1-CD1 3.51Å; L229-L280 HydrophobicContact CD1-CG 4.25Å; L229-L280 HydrophobicContact CG-CD1 4.25Å; L270-L280 HydrophobicContact CD2-CD1 3.96Å; L270-L280 HydrophobicContact CD2-CD2 3.56Å; L270-L280 HydrophobicContact CD2-CG 4.44Å; A278-L280 HydrophobicContact CB-CD2 4.42Å; L280-F283 HydrophobicContact CB-CZ 3.91Å; L280-F291 HydrophobicContact CD1-CD1 3.75Å; L280-F291 HydrophobicContact CD1-CE1 3.14Å; L280-F291 HydrophobicContact CD1-CE2 4.12Å; L280-F291 HydrophobicContact CD1-CG 4.43Å; L280-F291 HydrophobicContact CD1-CZ 3.37Å
281E86.2Confident90.3Very high149 Ų14950.3 Ų50.370%0.69627%0.266SS*.  trans-134.6179.7-179.263-175.4179.400110.4I226I226-E281 HydrophobicContact CG1-CB 4.36Å
282A82.2Confident90.3Very high85 Ų8549 Ų4970%0.70226%0.257SS*.  trans64.347.7177.900000115.2
283F88.5Confident90.3Very high27 Ų2747.3 Ų47.312%0.11825%0.249CC..PPolyproline II helixtrans-74.4126.9170.1-55.6-71.5000111.1N225 I227 L280 Y289 F291 Y311N225-F283 WeakPolarHBondContact O-CD2 3.38Å; N225-F283 WeakPolarHBondContact O-CE2 3.38Å; I227-F283 HydrophobicContact CB-CE2 4.45Å; I227-F283 HydrophobicContact CB-CZ 4.18Å; I227-F283 HydrophobicContact CD1-CE1 4.02Å; I227-F283 HydrophobicContact CD1-CE2 3.98Å; I227-F283 HydrophobicContact CD1-CZ 3.42Å; I227-F283 VanDerWaalsContact CD1-CZ 3.42Å; I227-F283 HydrophobicContact CG1-CE2 3.84Å; I227-F283 HydrophobicContact CG1-CZ 3.72Å; L280-F283 HydrophobicContact CB-CZ 3.91Å; F283-Y289 HydrophobicContact CB-CE2 3.94Å; F283-Y289 AromaticContact CD1-CD2 3.53Å; F283-Y289 HydrophobicContact CD1-CD2 3.53Å; F283-Y289 AromaticContact CD1-CE2 3.61Å; F283-Y289 HydrophobicContact CD1-CE2 3.61Å; F283-Y289 HydrophobicContact CD1-CG 4.04Å; F283-Y289 HydrophobicContact CE1-CD2 4.23Å; F283-Y289 HydrophobicContact CE1-CG 4.37Å; F283-Y289 HydrophobicContact CG-CD2 4.43Å; F283-Y289 HydrophobicContact CG-CE2 4.25Å; F283-F291 HydrophobicContact CE1-CZ 4.21Å; F283-Y311 HydrophobicContact CD1-CD1 4.22Å; F283-Y311 HydrophobicContact CD1-CE1 4.3Å; F283-Y311 HydrophobicContact CD2-CD1 4.45Å; F283-Y311 AromaticContact CD2-CE1 3.73Å; F283-Y311 HydrophobicContact CD2-CE1 3.73Å; F283-Y311 HydrophobicContact CE1-CD1 4.12Å; F283-Y311 HydrophobicContact CE1-CE1 4.28Å; F283-Y311 HydrophobicContact CE2-CD1 4.36Å; F283-Y311 AromaticContact CE2-CE1 3.72Å; F283-Y311 HydrophobicContact CE2-CE1 3.72Å; F283-Y311 HydrophobicContact CG-CD1 4.39Å; F283-Y311 HydrophobicContact CG-CE1 4.04Å; F283-Y311 HydrophobicContact CZ-CD1 4.2Å; F283-Y311 HydrophobicContact CZ-CE1 4.01Å
284E91.3Very high90.2Very high102 Ų10246 Ų4648%0.47724%0.241SC..PPolyproline II helixtrans-90.2153.8-177.1-52.7173.7112.200111.5R287 Y289E284-R287 VanDerWaalsContact OE2-CD 3.29Å; E284-R287 WeakPolarHBondContact OE2-CD 3.37Å; E284-R287 IonicContact OE2-CZ 3.73Å; E284-R287 IonicContact OE2-NE 2.72Å; E284-R287 PolarHBondContact OE2-NE 3.37Å; E284-R287 IonicContact OE2-NH2 2.8Å; E284-Y289 PolarHBondContact N-OH 2.86Å
285P92.2Very high90.4Very high39 Ų3941.4 Ų41.425%0.25322%0.22SC..THydrogen-bonded Turntrans-58.5149.7175.9-23.333.9000113.3R287 I316 P318 D353P285-R287 PolarHBondContact O-N 3.11Å; P285-R287 PolarHBondContact O-NH1 3.37Å; P285-I316 HydrophobicContact CB-CB 4.46Å; P285-I316 HydrophobicContact CB-CG2 4.39Å; P285-P318 HydrophobicContact CB-CB 4.29Å; P285-D353 HydrophobicContact CB-CB 4.37Å
286G93.4Very high90.4Very high0 Ų035.6 Ų35.60%019%0.193CC..THydrogen-bonded Turntrans67.411.2176.100000115.7I255 C256 I316 W415I255-G286 CarbonylContact C-O 3.59Å; I255-G286 WeakPolarHBondContact CA-O 3.24Å; C256-G286 PolarHBondContact N-O 2.94Å; G286-I316 PolarHBondContact N-O 3.38Å; G286-W415 PolarHBondContact O-NE1 2.98Å
287R95.1Very high90.4Very high27 Ų2732.4 Ų32.410%0.10218%0.179CC..  trans-117.4142.8179.8-73.5169.5-166.759.2-7.4112.3I253 C254 I255 E284 P285 Y289 D353I253-R287 HydrophobicContact CG2-CB 4Å; I253-R287 HydrophobicContact CG2-CG 3.86Å; C254-R287 CarbonylContact O-C 3.6Å; C254-R287 WeakPolarHBondContact O-CA 3.34Å; I255-R287 HydrophobicContact CG1-CG 4.1Å; E284-R287 VanDerWaalsContact OE2-CD 3.29Å; E284-R287 WeakPolarHBondContact OE2-CD 3.37Å; E284-R287 IonicContact OE2-CZ 3.73Å; E284-R287 IonicContact OE2-NE 2.72Å; E284-R287 PolarHBondContact OE2-NE 3.37Å; E284-R287 IonicContact OE2-NH2 2.8Å; P285-R287 PolarHBondContact O-N 3.11Å; P285-R287 PolarHBondContact O-NH1 3.37Å; R287-Y289 HydrophobicContact CB-CE1 4.49Å; R287-Y289 HydrophobicContact CB-CE2 3.73Å; R287-D353 PolarHBondContact NH1-O 3.49Å; R287-D353 PolarHBondContact NH2-O 3.08Å
288L94.4Very high90.1Very high4 Ų432 Ų322%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-115.5136.3171.6-68.6172.9000109.4I253 C254 C256 F259 A310 Y311 P312 P315I253-L288 CarbonylContact C-O 3.59Å; I253-L288 WeakPolarHBondContact CA-O 3.21Å; C254-L288 HydrophobicContact CB-CB 4.28Å; C254-L288 PolarHBondContact N-O 3Å; C254-L288 PolarHBondContact O-N 3.06Å; C256-L288 HydrophobicContact CB-CD1 4.3Å; C256-L288 WeakPolarHBondContact O-CD1 3.38Å; F259-L288 HydrophobicContact CB-CD1 3.91Å; F259-L288 HydrophobicContact CD2-CB 3.99Å; F259-L288 VanDerWaalsContact N-CD1 3.25Å; L288-A310 HydrophobicContact CB-CB 4.41Å; L288-Y311 CarbonylContact C-O 3.52Å; L288-Y311 WeakPolarHBondContact CA-O 3.19Å; L288-P312 WeakPolarHBondContact CD2-O 3.23Å; L288-P315 HydrophobicContact CD2-CB 4.01Å; L288-P315 HydrophobicContact CD2-CG 3.85Å; L288-P315 HydrophobicContact CG-CB 4.41Å; L288-P315 HydrophobicContact CG-CG 4.14Å
289Y94.1Very high89.6Confident12 Ų1234.9 Ų34.95%0.04718%0.18CC..EExtended strand (participates in β ladder)trans-118.6136-173.1-57.4-89.6000109.7I251 R252 I253 F283 E284 R287 A310 Y311I251-Y289 HydrophobicContact CD1-CD1 3.63Å; I251-Y289 HydrophobicContact CD1-CE1 4.37Å; I251-Y289 HydrophobicContact CD1-CG 4.46Å; I251-Y289 HydrophobicContact CG1-CD1 4.29Å; R252-Y289 WeakPolarHBondContact O-CA 3.33Å; I253-Y289 HydrophobicContact CD1-CD1 4.32Å; I253-Y289 HydrophobicContact CD1-CE1 3.93Å; I253-Y289 HydrophobicContact CG1-CD1 3.83Å; I253-Y289 HydrophobicContact CG1-CE1 3.9Å; I253-Y289 HydrophobicContact CG2-CD1 4.35Å; I253-Y289 HydrophobicContact CG2-CE1 4.07Å; F283-Y289 HydrophobicContact CB-CE2 3.94Å; F283-Y289 AromaticContact CD1-CD2 3.53Å; F283-Y289 HydrophobicContact CD1-CD2 3.53Å; F283-Y289 AromaticContact CD1-CE2 3.61Å; F283-Y289 HydrophobicContact CD1-CE2 3.61Å; F283-Y289 HydrophobicContact CD1-CG 4.04Å; F283-Y289 HydrophobicContact CE1-CD2 4.23Å; F283-Y289 HydrophobicContact CE1-CG 4.37Å; F283-Y289 HydrophobicContact CG-CD2 4.43Å; F283-Y289 HydrophobicContact CG-CE2 4.25Å; E284-Y289 PolarHBondContact N-OH 2.86Å; R287-Y289 HydrophobicContact CB-CE1 4.49Å; R287-Y289 HydrophobicContact CB-CE2 3.73Å; Y289-A310 CarbonylContact O-C 3.49Å; Y289-A310 WeakPolarHBondContact O-CA 3.43Å; Y289-Y311 WeakPolarHBondContact CD2-O 3.36Å; Y289-Y311 PolarHBondContact N-O 2.85Å; Y289-Y311 PolarHBondContact O-N 3.07Å
290Q93.3Very high89Confident22 Ų2229.7 Ų29.710%0.10315%0.153CC..EExtended strand (participates in β ladder)trans-124.3148168.7-77.2-172.9-21.600110.1I251 R252 F259 W267 T308 A310I251-Q290 VanDerWaalsContact CA-O 3.32Å; I251-Q290 WeakPolarHBondContact CA-O 3.27Å; R252-Q290 HydrophobicContact CG-CB 3.91Å; R252-Q290 PolarHBondContact N-O 2.95Å; R252-Q290 PolarHBondContact O-N 3.12Å; F259-Q290 HydrophobicContact CD2-CG 4.15Å; F259-Q290 VanDerWaalsContact CE1-CD 3.43Å; F259-Q290 HydrophobicContact CE1-CG 4.45Å; F259-Q290 VanDerWaalsContact CE1-OE1 3.26Å; F259-Q290 HydrophobicContact CE2-CB 4.41Å; F259-Q290 HydrophobicContact CE2-CG 3.71Å; F259-Q290 HydrophobicContact CZ-CG 3.9Å; W267-Q290 HydrophobicContact CH2-CB 3.98Å; W267-Q290 WeakPolarHBondContact CZ3-O 3.45Å; Q290-T308 WeakPolarHBondContact CG-O 3.46Å; Q290-T308 PolarHBondContact NE2-O 2.7Å; Q290-A310 HydrophobicContact CG-CB 4.06Å
291F93.6Very high88.7Confident2 Ų230.4 Ų30.41%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-123140.7-177.5-55.9-78000110.5L215 I227 L229 L249 Q250 I251 L270 L280 F283 G307 T308L215-F291 HydrophobicContact CD2-CB 3.96Å; I227-F291 HydrophobicContact CD1-CE2 4.21Å; L229-F291 HydrophobicContact CD1-CB 4.1Å; L229-F291 HydrophobicContact CD1-CD1 4.09Å; L229-F291 HydrophobicContact CD1-CD2 4.15Å; L229-F291 HydrophobicContact CD1-CG 3.82Å; L229-F291 HydrophobicContact CD2-CD2 4.46Å; L249-F291 HydrophobicContact CD1-CB 4.19Å; Q250-F291 VanDerWaalsContact O-CA 3.3Å; Q250-F291 WeakPolarHBondContact O-CA 3.24Å; I251-F291 HydrophobicContact CB-CD1 4.1Å; I251-F291 HydrophobicContact CB-CE1 4.03Å; I251-F291 HydrophobicContact CD1-CD1 4.33Å; I251-F291 HydrophobicContact CD1-CE1 3.43Å; I251-F291 VanDerWaalsContact CD1-CE1 3.43Å; I251-F291 HydrophobicContact CD1-CZ 3.98Å; I251-F291 HydrophobicContact CG1-CD1 3.94Å; I251-F291 HydrophobicContact CG1-CE1 3.51Å; I251-F291 HydrophobicContact CG1-CZ 4.24Å; L270-F291 HydrophobicContact CD2-CE1 4.32Å; L280-F291 HydrophobicContact CD1-CD1 3.75Å; L280-F291 HydrophobicContact CD1-CE1 3.14Å; L280-F291 HydrophobicContact CD1-CE2 4.12Å; L280-F291 HydrophobicContact CD1-CG 4.43Å; L280-F291 HydrophobicContact CD1-CZ 3.37Å; F283-F291 HydrophobicContact CE1-CZ 4.21Å; F291-G307 CarbonylContact O-C 3.59Å; F291-G307 VanDerWaalsContact O-CA 3.3Å; F291-G307 WeakPolarHBondContact O-CA 3.35Å; F291-T308 HydrophobicContact CB-CG2 4.12Å; F291-T308 PolarHBondContact N-OG1 3.42Å; F291-T308 VanDerWaalsContact N-OG1 3.08Å; F291-T308 PolarHBondContact O-N 3.12Å
292R91.5Very high88.4Confident35 Ų3526.5 Ų26.513%0.13214%0.137CC..EExtended strand (participates in β ladder)trans-135.1151.9168.471.8-179.7-176.1172.72.2109.7E45 Q250 W267 F304E45-R292 IonicContact OE1-CZ 2.78Å; E45-R292 IonicContact OE1-NH2 3.54Å; E45-R292 PolarHBondContact OE1-NH2 3.33Å; Q250-R292 HydrophobicContact CB-CG 4.01Å; Q250-R292 PolarHBondContact N-O 3.09Å; Q250-R292 PolarHBondContact O-N 2.93Å; W267-R292 HydrophobicContact CD2-CG 3.95Å; W267-R292 VanDerWaalsContact CD2-NE 3.33Å; W267-R292 VanDerWaalsContact CE2-CD 3.47Å; W267-R292 HydrophobicContact CE3-CB 4.5Å; W267-R292 HydrophobicContact CE3-CG 3.67Å; W267-R292 VanDerWaalsContact CG-NE 3.31Å; W267-R292 HydrophobicContact CH2-CB 3.83Å; W267-R292 HydrophobicContact CH2-CG 3.85Å; W267-R292 HydrophobicContact CZ2-CB 4.29Å; W267-R292 HydrophobicContact CZ2-CG 4.13Å; W267-R292 HydrophobicContact CZ3-CB 3.95Å; W267-R292 HydrophobicContact CZ3-CG 3.62Å; R292-F304 HydrophobicContact CG-CB 4.29Å; R292-F304 HydrophobicContact CG-CD1 3.87Å; R292-F304 HydrophobicContact CG-CG 4.25Å
293I91.1Very high88.4Confident2 Ų223.1 Ų23.11%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-126.3147.6-177.1-169.1171000110.6P212 L215 W231 F247 I248 L249 F304 G305P212-I293 HydrophobicContact CB-CG2 3.6Å; P212-I293 HydrophobicContact CG-CG2 3.63Å; P212-I293 WeakPolarHBondContact CG-O 3.25Å; L215-I293 HydrophobicContact CB-CG2 4.36Å; L215-I293 HydrophobicContact CD1-CG2 4.31Å; L215-I293 HydrophobicContact CD2-CB 4.44Å; L215-I293 HydrophobicContact CD2-CG2 4.36Å; W231-I293 HydrophobicContact CB-CD1 4.06Å; W231-I293 HydrophobicContact CD2-CD1 3.26Å; W231-I293 VanDerWaalsContact CE2-CD1 3.42Å; W231-I293 HydrophobicContact CE3-CD1 3.75Å; W231-I293 HydrophobicContact CG-CD1 3.43Å; W231-I293 VanDerWaalsContact CG-CD1 3.43Å; W231-I293 HydrophobicContact CH2-CD1 4.35Å; W231-I293 HydrophobicContact CZ2-CD1 3.99Å; W231-I293 HydrophobicContact CZ3-CD1 4.24Å; F247-I293 HydrophobicContact CB-CD1 4.02Å; F247-I293 HydrophobicContact CB-CG1 4.28Å; F247-I293 HydrophobicContact CD1-CD1 3.94Å; F247-I293 HydrophobicContact CD1-CG1 4.36Å; F247-I293 HydrophobicContact CG-CD1 4.21Å; I248-I293 CarbonylContact O-C 3.57Å; I248-I293 VanDerWaalsContact O-CA 3.28Å; I248-I293 WeakPolarHBondContact O-CA 3.44Å; L249-I293 HydrophobicContact CD1-CB 4.49Å; I293-F304 WeakPolarHBondContact O-CA 3.43Å; I293-G305 PolarHBondContact O-N 3.15Å
294A90.2Very high88.3Confident0 Ų022.4 Ų22.40%011%0.107CC..EExtended strand (participates in β ladder)trans-124.1144.4166.100000109.5F49 F247 I248 F304F49-A294 HydrophobicContact CE1-CB 3.91Å; F247-A294 VanDerWaalsContact CA-O 3.3Å; F247-A294 WeakPolarHBondContact CA-O 3.22Å; I248-A294 HydrophobicContact CB-CB 4.44Å; I248-A294 PolarHBondContact N-O 2.78Å; I248-A294 PolarHBondContact O-N 2.85Å; A294-F304 HydrophobicContact CB-CD1 3.48Å; A294-F304 VanDerWaalsContact CB-CD1 3.48Å; A294-F304 HydrophobicContact CB-CD2 4.5Å; A294-F304 HydrophobicContact CB-CE1 3.6Å; A294-F304 HydrophobicContact CB-CG 3.95Å; A294-F304 HydrophobicContact CB-CZ 4.17Å
295A89.5Confident87.9Confident2 Ų218 Ų182%0.0179%0.089CC..EExtended strand (participates in β ladder)trans-106.7130.5173.400000109.5P209 Y235 I245 F247 T301P209-A295 HydrophobicContact CB-CB 3.75Å; P209-A295 HydrophobicContact CG-CB 4.39Å; Y235-A295 HydrophobicContact CE1-CB 3.72Å; Y235-A295 HydrophobicContact CE2-CB 4.42Å; I245-A295 HydrophobicContact CG2-CB 3.92Å; F247-A295 HydrophobicContact CD1-CB 4.04Å; F247-A295 HydrophobicContact CE1-CB 3.9Å; A295-T301 WeakPolarHBondContact O-CB 3.27Å; A295-T301 PolarHBondContact O-OG1 3.34Å
296V89.2Confident87.5Confident0 Ų022.5 Ų22.50%011%0.11CC..EExtended strand (participates in β ladder)trans-129.7123.1-174-169.20000109.1F49 A52 R53 I245 V246 I248F49-V296 HydrophobicContact CD1-CG2 4.07Å; A52-V296 HydrophobicContact CB-CB 3.8Å; A52-V296 HydrophobicContact CB-CG1 3.86Å; A52-V296 HydrophobicContact CB-CG2 3.77Å; R53-V296 HydrophobicContact CB-CG1 4.38Å; R53-V296 HydrophobicContact CG-CG1 3.49Å; R53-V296 VanDerWaalsContact CG-CG1 3.49Å; I245-V296 WeakPolarHBondContact CA-O 3.46Å; V246-V296 PolarHBondContact N-O 2.94Å; V246-V296 WeakPolarHBondContact O-CB 3.21Å; V246-V296 PolarHBondContact O-N 2.81Å; I248-V296 HydrophobicContact CD1-CG2 3.68Å; I248-V296 HydrophobicContact CG1-CG2 4.28Å
297S87.4Confident87.1Confident1 Ų124 Ų241%0.00713%0.126CC..EExtended strand (participates in β ladder)trans-107.2177.5166.4780000109.8R53 L207 P209 Y299 G300R53-S297 WeakPolarHBondContact CG-O 3.19Å; L207-S297 PolarHBondContact O-OG 3.48Å; P209-S297 WeakPolarHBondContact CD-OG 3.38Å; S297-Y299 PolarHBondContact O-N 2.97Å; S297-Y299 VanDerWaalsContact O-N 3.13Å; S297-Y299 PolarHBondContact OG-N 3.35Å; S297-G300 PolarHBondContact N-O 3.44Å; S297-G300 PolarHBondContact O-N 2.97Å
298I81.3Confident86.9Confident13 Ų1323 Ų237%0.06712%0.123CC..THydrogen-bonded Turntrans-55.5-29.5173.764.1170.4000113R53 A56 N57 R60 G300R53-I298 PolarHBondContact NE-O 2.94Å; A56-I298 HydrophobicContact CB-CG2 3.77Å; N57-I298 HydrophobicContact CB-CG2 4.32Å; N57-I298 WeakPolarHBondContact OD1-CB 3.23Å; N57-I298 WeakPolarHBondContact OD1-CG2 3.32Å; R60-I298 VanDerWaalsContact CZ-CD1 3.49Å; I298-G300 PolarHBondContact O-N 3.31Å
299Y78.9Confident86.7Confident76 Ų7629.8 Ų29.830%0.29816%0.159SC..THydrogen-bonded Turntrans-80.3-7.7-179.7-58.2-75.3000112.7P137 N205 L207 N243 S297P137-Y299 VanDerWaalsContact CG-O 3.29Å; P137-Y299 WeakPolarHBondContact CG-O 3.21Å; N205-Y299 WeakPolarHBondContact ND2-CD1 3.39Å; L207-Y299 HydrophobicContact CB-CD2 3.42Å; L207-Y299 VanDerWaalsContact CB-CD2 3.42Å; L207-Y299 HydrophobicContact CB-CE2 3.65Å; L207-Y299 HydrophobicContact CB-CG 3.91Å; L207-Y299 HydrophobicContact CD1-CD1 4.39Å; L207-Y299 HydrophobicContact CD1-CD2 4.21Å; L207-Y299 HydrophobicContact CD1-CE1 3.85Å; L207-Y299 HydrophobicContact CD1-CE2 3.69Å; L207-Y299 VanDerWaalsContact CD1-CZ 3.45Å; L207-Y299 HydrophobicContact CG-CD2 4.45Å; L207-Y299 HydrophobicContact CG-CE2 4.25Å; N243-Y299 WeakPolarHBondContact ND2-CE2 3.36Å; S297-Y299 PolarHBondContact O-N 2.97Å; S297-Y299 VanDerWaalsContact O-N 3.13Å; S297-Y299 PolarHBondContact OG-N 3.35Å
300G77.2Confident86.5Confident3 Ų330.6 Ų30.63%0.03117%0.168CC..EExtended strand (participates in β ladder)trans119.5-159.6178.900000113.1S297 I298S297-G300 PolarHBondContact N-O 3.44Å; S297-G300 PolarHBondContact O-N 2.97Å; I298-G300 PolarHBondContact O-N 3.31Å
301T82.8Confident86.4Confident37 Ų3730.8 Ų30.823%0.22717%0.168CC..EExtended strand (participates in β ladder)trans-137.9157.2-176.5-174.90000110.6F49 A295 G303F49-T301 HydrophobicContact CB-CG2 4.21Å; F49-T301 HydrophobicContact CD1-CG2 3.66Å; F49-T301 HydrophobicContact CD2-CG2 3.98Å; F49-T301 HydrophobicContact CE1-CG2 3.95Å; F49-T301 HydrophobicContact CE2-CG2 4.25Å; F49-T301 HydrophobicContact CG-CG2 3.68Å; F49-T301 HydrophobicContact CZ-CG2 4.23Å; A295-T301 WeakPolarHBondContact O-CB 3.27Å; A295-T301 PolarHBondContact O-OG1 3.34Å; T301-G303 VanDerWaalsContact C-N 3.31Å; T301-G303 PolarHBondContact OG1-N 2.76Å
302R78.2Confident86.2Confident68 Ų6832 Ų3226%0.25718%0.176SC..EExtended strand (participates in β ladder)trans-92.68.8166.2-64.8-179.1-167.4160.39.9112.3Y204 V208 P209 P210 R211Y204-R302 HydrophobicContact CD1-CG 4.47Å; Y204-R302 HydrophobicContact CE1-CG 4.42Å; V208-R302 HydrophobicContact CG1-CG 3.84Å; V208-R302 VanDerWaalsContact O-CZ 3.3Å; V208-R302 PolarHBondContact O-NH2 3.38Å; P209-R302 WeakPolarHBondContact O-CD 3.48Å; P209-R302 WeakPolarHBondContact O-CG 3.41Å; P209-R302 PolarHBondContact O-NE 3.06Å; P210-R302 VanDerWaalsContact CA-NH1 3.26Å; R211-R302 HydrophobicContact CB-CB 3.9Å; R211-R302 PolarHBondContact NE-O 2.93Å; R211-R302 PolarHBondContact NH2-O 2.85Å
303G82.2Confident85.9Confident13 Ų1341 Ų4113%0.13421%0.21CC..EExtended strand (participates in β ladder)trans84.2-174.3-179.500000113.5T301T301-G303 VanDerWaalsContact C-N 3.31Å; T301-G303 PolarHBondContact OG1-N 2.76Å
304F87Confident85.6Confident13 Ų1347.4 Ų47.46%0.05724%0.244CC..EExtended strand (participates in β ladder)trans-69.9141.9180-68.4-79000112.3E45 L48 F49 R211 I248 Q250 R292 I293 A294E45-F304 HydrophobicContact CG-CE2 4.44Å; L48-F304 HydrophobicContact CD2-CZ 4.14Å; F49-F304 HydrophobicContact CE1-CD2 4.31Å; F49-F304 AromaticContact CE1-CE2 3.77Å; F49-F304 HydrophobicContact CE1-CE2 3.77Å; F49-F304 HydrophobicContact CE1-CZ 4.01Å; F49-F304 HydrophobicContact CE2-CE2 4.49Å; F49-F304 AromaticContact CZ-CD2 3.78Å; F49-F304 HydrophobicContact CZ-CD2 3.78Å; F49-F304 AromaticContact CZ-CE2 3.46Å; F49-F304 HydrophobicContact CZ-CE2 3.46Å; F49-F304 VanDerWaalsContact CZ-CE2 3.46Å; F49-F304 HydrophobicContact CZ-CZ 4.18Å; R211-F304 WeakPolarHBondContact CD-O 3.37Å; R211-F304 PolarHBondContact NH1-O 2.99Å; I248-F304 HydrophobicContact CB-CE1 4.1Å; I248-F304 HydrophobicContact CB-CZ 4.36Å; I248-F304 HydrophobicContact CG2-CE1 3.84Å; I248-F304 HydrophobicContact CG2-CZ 3.85Å; Q250-F304 HydrophobicContact CB-CE1 4.48Å; Q250-F304 HydrophobicContact CG-CE1 3.68Å; Q250-F304 HydrophobicContact CG-CZ 3.85Å; R292-F304 HydrophobicContact CG-CB 4.29Å; R292-F304 HydrophobicContact CG-CD1 3.87Å; R292-F304 HydrophobicContact CG-CG 4.25Å; I293-F304 WeakPolarHBondContact O-CA 3.43Å; A294-F304 HydrophobicContact CB-CD1 3.48Å; A294-F304 VanDerWaalsContact CB-CD1 3.48Å; A294-F304 HydrophobicContact CB-CD2 4.5Å; A294-F304 HydrophobicContact CB-CE1 3.6Å; A294-F304 HydrophobicContact CB-CG 3.95Å; A294-F304 HydrophobicContact CB-CZ 4.17Å
305G83Confident85.5Confident10 Ų1048.3 Ų48.310%0.10325%0.25CS..  trans-73.8-17816800000112.8P212 I293P212-G305 WeakPolarHBondContact O-CA 3.36Å; I293-G305 PolarHBondContact O-N 3.15Å
306L84.1Confident85.6Confident132 Ų13253.3 Ų53.369%0.69128%0.276SS*.PPolyproline II helixtrans-65.6147.2174.2-64.5175.3000110.8
307G85.9Confident85.7Confident33 Ų3361.1 Ų61.134%0.3431%0.305SS..PPolyproline II helixtrans-64.8147171.900000111.3F291F291-G307 CarbonylContact O-C 3.59Å; F291-G307 VanDerWaalsContact O-CA 3.3Å; F291-G307 WeakPolarHBondContact O-CA 3.35Å
308T90.2Very high86.1Confident5 Ų561.2 Ų61.23%0.03131%0.306CS..PPolyproline II helixtrans-63.2164.4168.561.10000110.7L215 Q290 F291L215-T308 HydrophobicContact CB-CG2 3.77Å; L215-T308 HydrophobicContact CD2-CG2 3.77Å; L215-T308 HydrophobicContact CG-CG2 3.86Å; Q290-T308 WeakPolarHBondContact CG-O 3.46Å; Q290-T308 PolarHBondContact NE2-O 2.7Å; F291-T308 HydrophobicContact CB-CG2 4.12Å; F291-T308 PolarHBondContact N-OG1 3.42Å; F291-T308 VanDerWaalsContact N-OG1 3.08Å; F291-T308 PolarHBondContact O-N 3.12Å
309N89.3Confident86.7Confident147 Ų14764 Ų6479%0.78633%0.326SS*.PPolyproline II helixtrans-56.3150.2161.5-66.2-32.5000110.2
310A91.2Very high87.4Confident28 Ų2863.9 Ų63.923%0.23134%0.335CS..PPolyproline II helixtrans-65.6140.2178.600000111.1F259 L288 Y289 Q290F259-A310 HydrophobicContact CB-CB 3.52Å; F259-A310 HydrophobicContact CD2-CB 3.62Å; F259-A310 HydrophobicContact CG-CB 3.66Å; L288-A310 HydrophobicContact CB-CB 4.41Å; Y289-A310 CarbonylContact O-C 3.49Å; Y289-A310 WeakPolarHBondContact O-CA 3.43Å; Q290-A310 HydrophobicContact CG-CB 4.06Å
311Y90.3Very high88.3Confident26 Ų2664 Ų6410%0.10234%0.335CS..BIsolated β-bridgetrans-127.3146.4-179.6-177.8-87.1000111.8V219 A224 I227 F283 L288 Y289V219-Y311 HydrophobicContact CG1-CE2 4.35Å; V219-Y311 WeakPolarHBondContact CG1-OH 2.98Å; V219-Y311 HydrophobicContact CG2-CD2 4.37Å; V219-Y311 HydrophobicContact CG2-CE2 3.57Å; A224-Y311 PolarHBondContact O-OH 3.2Å; I227-Y311 HydrophobicContact CD1-CD1 3.09Å; I227-Y311 HydrophobicContact CD1-CD2 3.49Å; I227-Y311 VanDerWaalsContact CD1-CD2 3.49Å; I227-Y311 HydrophobicContact CD1-CE1 3.3Å; I227-Y311 HydrophobicContact CD1-CE2 3.69Å; I227-Y311 HydrophobicContact CD1-CG 3.15Å; I227-Y311 HydrophobicContact CG1-CD1 3.89Å; I227-Y311 HydrophobicContact CG1-CD2 3.97Å; I227-Y311 HydrophobicContact CG1-CE1 3.53Å; I227-Y311 HydrophobicContact CG1-CE2 3.63Å; I227-Y311 HydrophobicContact CG1-CG 4.06Å; F283-Y311 HydrophobicContact CD1-CD1 4.22Å; F283-Y311 HydrophobicContact CD1-CE1 4.3Å; F283-Y311 HydrophobicContact CD2-CD1 4.45Å; F283-Y311 AromaticContact CD2-CE1 3.73Å; F283-Y311 HydrophobicContact CD2-CE1 3.73Å; F283-Y311 HydrophobicContact CE1-CD1 4.12Å; F283-Y311 HydrophobicContact CE1-CE1 4.28Å; F283-Y311 HydrophobicContact CE2-CD1 4.36Å; F283-Y311 AromaticContact CE2-CE1 3.72Å; F283-Y311 HydrophobicContact CE2-CE1 3.72Å; F283-Y311 HydrophobicContact CG-CD1 4.39Å; F283-Y311 HydrophobicContact CG-CE1 4.04Å; F283-Y311 HydrophobicContact CZ-CD1 4.2Å; F283-Y311 HydrophobicContact CZ-CE1 4.01Å; L288-Y311 CarbonylContact C-O 3.52Å; L288-Y311 WeakPolarHBondContact CA-O 3.19Å; Y289-Y311 WeakPolarHBondContact CD2-O 3.36Å; Y289-Y311 PolarHBondContact N-O 2.85Å; Y289-Y311 PolarHBondContact O-N 3.07Å
312P89.4Confident88.7Confident27 Ų2763.2 Ų63.218%0.17534%0.335CS..SBendcis-64.4160.2-1430.6-38.4000110.4L288 D314 P315L288-P312 WeakPolarHBondContact CD2-O 3.23Å; P312-D314 PolarHBondContact O-N 2.81Å; P312-P315 HydrophobicContact CG-CB 4.17Å
313R85.1Confident89.4Confident226 Ų22662 Ų6285%0.85334%0.335SS*.SBendtrans-60.1-39.1177.1-174.6178.8-177.1172.40.7111.2
314D85.8Confident90Very high135 Ų13561.4 Ų61.472%0.72233%0.329SS*.SBendtrans-120.799.9176.1-61.7-54.2000108.5P312P312-D314 PolarHBondContact O-N 2.81Å
315P88.2Confident90.2Very high19 Ų1964.7 Ų64.712%0.12334%0.341CS..PPolyproline II helixtrans-70.1141-179.527.8-31.7000111.4L288 P312 R317 W415L288-P315 HydrophobicContact CD2-CB 4.01Å; L288-P315 HydrophobicContact CD2-CG 3.85Å; L288-P315 HydrophobicContact CG-CB 4.41Å; L288-P315 HydrophobicContact CG-CG 4.14Å; P312-P315 HydrophobicContact CG-CB 4.17Å; P315-R317 PolarHBondContact O-N 3.12Å; P315-W415 HydrophobicContact CG-CZ2 4.13Å
316I90.3Very high90.5Very high108 Ų10869 Ų6955%0.55436%0.362SS*.PPolyproline II helixtrans-59.3126.1173.1-60.6172.9000107.7P285 G286P285-I316 HydrophobicContact CB-CB 4.46Å; P285-I316 HydrophobicContact CB-CG2 4.39Å; G286-I316 PolarHBondContact N-O 3.38Å
317R92.2Very high90.7Very high164 Ų16463.3 Ų63.362%0.61933%0.333SS*.PPolyproline II helixtrans-59.2124.9177.1-179.2-175.8-65.5-173.2-0.7109.2P315 W415P315-R317 PolarHBondContact O-N 3.12Å; R317-W415 HydrophobicContact CB-CH2 4.37Å; R317-W415 HydrophobicContact CB-CZ3 4.37Å; R317-W415 HydrophobicContact CG-CH2 4.39Å; R317-W415 HydrophobicContact CG-CZ3 3.9Å
318P95Very high90.7Very high3 Ų365.1 Ų65.12%0.01934%0.337CS..PPolyproline II helixtrans-70145.5176.628.5-31.6000110.4P285 D353 L354 W415 L421P285-P318 HydrophobicContact CB-CB 4.29Å; P318-D353 HydrophobicContact CB-CB 3.78Å; P318-L354 HydrophobicContact CB-CD1 4.17Å; P318-L354 HydrophobicContact CB-CD2 4.06Å; P318-L354 HydrophobicContact CB-CG 3.78Å; P318-L354 HydrophobicContact CG-CD1 3.73Å; P318-L354 HydrophobicContact CG-CD2 4.22Å; P318-L354 HydrophobicContact CG-CG 3.92Å; P318-W415 HydrophobicContact CG-CD2 3.9Å; P318-W415 HydrophobicContact CG-CE3 4.19Å; P318-W415 HydrophobicContact CG-CG 4.04Å; P318-L421 HydrophobicContact CB-CD1 4.46Å; P318-L421 HydrophobicContact CG-CD1 3.85Å
319S93.8Very high90.1Very high71 Ų7168.5 Ų68.550%0.49736%0.355SS..PPolyproline II helixtrans-72.3148.8172-57.40000110D353S319-D353 WeakPolarHBondContact CB-OD2 3.49Å; S319-D353 PolarHBondContact N-OD2 2.82Å
320P93.9Very high89Confident73 Ų7363.8 Ų63.847%0.47433%0.334SS..PPolyproline II helixtrans-56.4150.2168.8-21.132000111.4L421 E422P320-L421 HydrophobicContact CB-CB 4.37Å; P320-E422 WeakPolarHBondContact CB-O 3.44Å
321P95.4Very high87.9Confident5 Ų568.7 Ų68.73%0.03235%0.353CS..PPolyproline II helixtrans-57.7153.6177.522.3-31.1000111.4L356 A411 L421 S423P321-L356 HydrophobicContact CB-CD2 3.65Å; P321-L356 HydrophobicContact CG-CD2 4.14Å; P321-A411 HydrophobicContact CB-CB 4.21Å; P321-A411 HydrophobicContact CG-CB 4.18Å; P321-A411 WeakPolarHBondContact CG-O 3.41Å; P321-L421 VanDerWaalsContact CD-O 3.29Å; P321-L421 WeakPolarHBondContact CD-O 3.49Å; P321-S423 VanDerWaalsContact O-CA 3.31Å; P321-S423 WeakPolarHBondContact O-CA 3.46Å; P321-S423 WeakPolarHBondContact O-CB 3.18Å
322G91.7Very high86.9Confident22 Ų2271.7 Ų71.723%0.22737%0.365CS..PPolyproline II helixtrans-62.5163.1169.400000112.1P349 Q351 S423G322-P349 VanDerWaalsContact O-CB 3.26Å; G322-P349 WeakPolarHBondContact O-CB 3.21Å; G322-P349 WeakPolarHBondContact O-CG 3.26Å; G322-Q351 PolarHBondContact N-O 2.9Å; G322-Q351 VanDerWaalsContact N-O 3.12Å; G322-S423 WeakPolarHBondContact O-CB 3.4Å
323P93.4Very high85.6Confident42 Ų4278.4 Ų78.427%0.27339%0.387SS..PPolyproline II helixtrans-64.9146.9174.527.7-34.3000111.2Q424P323-Q424 WeakPolarHBondContact CB-O 3.49Å
324P94.5Very high84.4Confident1 Ų171.6 Ų71.61%0.00637%0.366CS..PPolyproline II helixtrans-53.6148.3166.6-24.834.4000111.4V327 Y359 V409 A411 N426P324-V327 HydrophobicContact CB-CG2 4.48Å; P324-Y359 HydrophobicContact CG-CD1 3.97Å; P324-Y359 HydrophobicContact CG-CE1 4.1Å; P324-V409 HydrophobicContact CB-CB 4.49Å; P324-V409 HydrophobicContact CB-CG1 4.05Å; P324-V409 WeakPolarHBondContact CD-O 3.42Å; P324-V409 HydrophobicContact CG-CB 4.32Å; P324-V409 HydrophobicContact CG-CG1 3.81Å; P324-A411 HydrophobicContact CG-CB 4.09Å; P324-N426 WeakPolarHBondContact O-CB 3.32Å; P324-N426 PolarHBondContact O-ND2 2.9Å
325R91.9Very high82.9Confident81 Ų8169.8 Ų69.831%0.30635%0.35SS..EExtended strand (participates in β ladder)trans-109.2161.5-177.3-59.5-163.9-54.2-82.7-8.7112V327 W346 Q347 P348 P349R325-V327 PolarHBondContact O-N 3.22Å; R325-V327 VanDerWaalsContact O-N 3.12Å; R325-W346 CarbonylContact O-C 3.51Å; R325-Q347 HydrophobicContact CB-CB 4.17Å; R325-Q347 PolarHBondContact N-O 3.01Å; R325-Q347 PolarHBondContact O-N 3.4Å; R325-P348 PolarHBondContact NH1-O 3.33Å; R325-P348 PolarHBondContact NH2-O 3.12Å; R325-P349 PolarHBondContact NH1-O 3.47Å; R325-P349 VanDerWaalsContact NH1-O 3.14Å
326N89.9Confident81.1Confident100 Ų10075 Ų7554%0.53539%0.387SS..EExtended strand (participates in β ladder)trans47.345.3171.2-61.5-1.9000113.1T328 Q347N326-T328 PolarHBondContact O-N 2.99Å; N326-T328 PolarHBondContact O-OG1 2.93Å; N326-Q347 HydrophobicContact CB-CG 4.31Å; N326-Q347 PolarHBondContact ND2-OE1 2.95Å
327V87.9Confident79.5Confident13 Ų1373.9 Ų73.98%0.07939%0.389CS..EExtended strand (participates in β ladder)trans-67.2115.1174.5-175.60000107.6P324 R325 L344 K345 W346 V409 N426 I428P324-V327 HydrophobicContact CB-CG2 4.48Å; R325-V327 PolarHBondContact O-N 3.22Å; R325-V327 VanDerWaalsContact O-N 3.12Å; V327-L344 HydrophobicContact CG1-CD1 3.77Å; V327-L344 HydrophobicContact CG1-CD2 4.38Å; V327-L344 HydrophobicContact CG1-CG 4.22Å; V327-K345 CarbonylContact C-O 3.57Å; V327-K345 WeakPolarHBondContact CA-O 3.23Å; V327-W346 HydrophobicContact CG2-CB 3.91Å; V327-V409 HydrophobicContact CG1-CG2 3.74Å; V327-V409 HydrophobicContact CG2-CB 4.16Å; V327-V409 HydrophobicContact CG2-CG2 4.06Å; V327-N426 HydrophobicContact CG2-CB 3.73Å; V327-N426 VanDerWaalsContact CG2-CG 3.42Å; V327-I428 HydrophobicContact CB-CG2 4.12Å; V327-I428 HydrophobicContact CG1-CD1 3.91Å; V327-I428 HydrophobicContact CG1-CG1 4.11Å; V327-I428 HydrophobicContact CG1-CG2 4.17Å
328T85.9Confident77.8Confident71 Ų7167 Ų6744%0.43637%0.369SS..EExtended strand (participates in β ladder)trans-136.8142.5-172.147.20000110.6N326 K345N326-T328 PolarHBondContact O-N 2.99Å; N326-T328 PolarHBondContact O-OG1 2.93Å; T328-K345 PolarHBondContact N-O 3.11Å; T328-K345 PolarHBondContact O-N 3.07Å; T328-K345 PolarHBondContact OG1-O 3.13Å
329D76.4Confident76.5Confident77 Ų7771.4 Ų71.441%0.41239%0.388SS..EExtended strand (participates in β ladder)trans-81.8114.3166.764.4-53.8000109W332 L342D329-W332 HydrophobicContact CB-CZ2 4.11Å; D329-W332 WeakPolarHBondContact OD2-CZ2 3.4Å; D329-W332 PolarHBondContact OD2-NE1 3.38Å; D329-L342 HydrophobicContact CB-CD1 3.5Å; D329-L342 VanDerWaalsContact CB-CD1 3.5Å; D329-L342 HydrophobicContact CB-CD2 4.21Å; D329-L342 HydrophobicContact CB-CG 4.46Å
330S67.4Low75.4Confident48 Ų4868 Ų6834%0.33636%0.364SS..EExtended strand (participates in β ladder)trans-98.9-48.9-170.662.80000113.3L343 K345S330-L343 PolarHBondContact N-O 3.35Å; S330-L343 WeakPolarHBondContact OG-CB 3.4Å; S330-L343 WeakPolarHBondContact OG-CD2 3.29Å; S330-L343 VanDerWaalsContact OG-CG 3.23Å; S330-L343 WeakPolarHBondContact OG-CG 3.33Å; S330-L343 PolarHBondContact OG-O 3.01Å; S330-K345 VanDerWaalsContact OG-CE 3.23Å; S330-K345 WeakPolarHBondContact OG-CE 3.44Å
331M66.7Low74.8Confident130 Ų13065.5 Ų65.564%0.6435%0.347SS*.EExtended strand (participates in β ladder)trans-141.3138.1-175.3-69-178.863.900111.1L343M331-L343 HydrophobicContact CB-CB 4.1Å; M331-L343 HydrophobicContact CB-CD2 4.31Å; M331-L343 HydrophobicContact CG-CD2 4.48Å; M331-L343 PolarHBondContact O-N 3.47Å; M331-L343 HydrophobicContact SD-CD2 4.35Å
332W70.6Confident74.1Confident90 Ų9065.3 Ų65.334%0.34135%0.345SS..EExtended strand (participates in β ladder)trans-114137.1-179.9-62.277.1000109.8D329 V340 N341 L342 L430 T432D329-W332 HydrophobicContact CB-CZ2 4.11Å; D329-W332 WeakPolarHBondContact OD2-CZ2 3.4Å; D329-W332 PolarHBondContact OD2-NE1 3.38Å; W332-V340 HydrophobicContact CE3-CG1 3.55Å; W332-V340 HydrophobicContact CZ3-CG1 3.95Å; W332-N341 CarbonylContact C-O 3.55Å; W332-N341 WeakPolarHBondContact CA-O 3.47Å; W332-L342 HydrophobicContact CD2-CD1 3.94Å; W332-L342 HydrophobicContact CE3-CB 4.27Å; W332-L342 HydrophobicContact CE3-CD1 4.4Å; W332-L342 HydrophobicContact CG-CD1 4.36Å; W332-L342 HydrophobicContact CH2-CD1 4.49Å; W332-L342 HydrophobicContact CH2-CD2 4.23Å; W332-L342 HydrophobicContact CZ2-CD1 4Å; W332-L342 HydrophobicContact CZ2-CD2 4.32Å; W332-L342 HydrophobicContact CZ3-CB 4.37Å; W332-L430 HydrophobicContact CH2-CB 4.29Å; W332-L430 HydrophobicContact CH2-CD1 3.86Å; W332-L430 HydrophobicContact CZ3-CD1 4.49Å; W332-T432 HydrophobicContact CH2-CG2 4.43Å; W332-T432 HydrophobicContact CZ3-CG2 3.77Å
333R61.3Low73.9Confident168 Ų16865.6 Ų65.663%0.63434%0.341SS*.EExtended strand (participates in β ladder)trans-122.9115.7172.5-165-178.7-133.2122.8-0.5109.7Y335 N341R333-Y335 HydrophobicContact CB-CE2 4.4Å; R333-Y335 WeakPolarHBondContact CD-OH 3.48Å; R333-Y335 HydrophobicContact CG-CE2 4.11Å; R333-N341 HydrophobicContact CB-CB 4.37Å; R333-N341 PolarHBondContact N-O 3.28Å; R333-N341 PolarHBondContact O-N 3.02Å
334L61.2Low73.7Confident82 Ų8263.6 Ų63.643%0.42933%0.328SS..EExtended strand (participates in β ladder)trans-97.3125.1178.3-62.1157.3000108.2V340 I435L334-V340 HydrophobicContact CD2-CB 4.27Å; L334-V340 HydrophobicContact CD2-CG1 3.88Å; L334-V340 HydrophobicContact CD2-CG2 3.66Å; L334-I435 HydrophobicContact CD2-CD1 4.14Å; L334-I435 HydrophobicContact CD2-CG1 4.16Å
335Y53.6Low73.7Confident98 Ų9867.1 Ų67.138%0.38434%0.344SS..  trans-97.4152.4176.1-67.2-91000110.8R333 S337 G338 K339 N341R333-Y335 HydrophobicContact CB-CE2 4.4Å; R333-Y335 WeakPolarHBondContact CD-OH 3.48Å; R333-Y335 HydrophobicContact CG-CE2 4.11Å; Y335-S337 WeakPolarHBondContact CB-OG 3.41Å; Y335-S337 PolarHBondContact O-N 2.89Å; Y335-G338 PolarHBondContact O-N 3.22Å; Y335-K339 PolarHBondContact N-O 3.41Å; Y335-N341 HydrophobicContact CE2-CB 4.1Å; Y335-N341 WeakPolarHBondContact CE2-ND2 3.44Å; Y335-N341 PolarHBondContact OH-ND2 3.02Å
336S51.2Low73.7Confident129 Ų12963.6 Ų63.690%0.90233%0.331SS*.THydrogen-bonded Turntrans-57.6-20.2173.552.80000113.4G338S336-G338 PolarHBondContact O-N 3.47Å
337S55.6Low74Confident83 Ų8362.8 Ų62.858%0.5832%0.323SS*.THydrogen-bonded Turntrans-70.4-5.1173.259.50000114.4Y335 K339Y335-S337 WeakPolarHBondContact CB-OG 3.41Å; Y335-S337 PolarHBondContact O-N 2.89Å; S337-K339 VanDerWaalsContact C-N 3.29Å
338G57.6Low74.3Confident20 Ų2064.9 Ų64.921%0.20634%0.337CS..SBendtrans87.5-6.5-174.700000113.9Y335 S336 P401 I435Y335-G338 PolarHBondContact O-N 3.22Å; S336-G338 PolarHBondContact O-N 3.47Å; G338-P401 VanDerWaalsContact O-CD 3.28Å; G338-P401 WeakPolarHBondContact O-CD 3.32Å; G338-P401 VanDerWaalsContact O-CG 3.28Å; G338-P401 WeakPolarHBondContact O-CG 3.44Å; G338-I435 VanDerWaalsContact CA-CD1 3.48Å; G338-I435 WeakPolarHBondContact O-CD1 3.33Å
339K65.9Low74.7Confident95 Ų9562.3 Ų62.341%0.41332%0.322SS..  trans-84.5146.9-177.9-61.8-168.7-180179.50112.1Y335 S337 N398Y335-K339 PolarHBondContact N-O 3.41Å; S337-K339 VanDerWaalsContact C-N 3.29Å; K339-N398 HydrophobicContact CD-CB 4.12Å; K339-N398 WeakPolarHBondContact CD-OD1 3.48Å; K339-N398 PolarHBondContact NZ-OD1 3Å
340V71.5Confident75.4Confident0 Ų064.6 Ų64.60%034%0.338CS..EExtended strand (participates in β ladder)trans-115.2131.2-178.8-1680000109.9W332 L334 N398 L399 P401 T432W332-V340 HydrophobicContact CE3-CG1 3.55Å; W332-V340 HydrophobicContact CZ3-CG1 3.95Å; L334-V340 HydrophobicContact CD2-CB 4.27Å; L334-V340 HydrophobicContact CD2-CG1 3.88Å; L334-V340 HydrophobicContact CD2-CG2 3.66Å; V340-N398 PolarHBondContact O-N 3.09Å; V340-L399 HydrophobicContact CB-CB 4.28Å; V340-L399 PolarHBondContact N-O 3.28Å; V340-L399 VanDerWaalsContact O-CB 3.31Å; V340-L399 WeakPolarHBondContact O-CB 3.3Å; V340-L399 PolarHBondContact O-N 2.84Å; V340-P401 HydrophobicContact CG2-CB 4.24Å; V340-T432 HydrophobicContact CB-CG2 4.23Å; V340-T432 HydrophobicContact CG1-CG2 4.27Å; V340-T432 HydrophobicContact CG2-CG2 4.37Å
341N80.2Confident76.4Confident21 Ų2169.1 Ų69.111%0.11235%0.354CS..EExtended strand (participates in β ladder)trans-112.1139.1168.6-68.29.3000109.5W332 R333 Y335 I395 L396 D397 N398W332-N341 CarbonylContact C-O 3.55Å; W332-N341 WeakPolarHBondContact CA-O 3.47Å; R333-N341 HydrophobicContact CB-CB 4.37Å; R333-N341 PolarHBondContact N-O 3.28Å; R333-N341 PolarHBondContact O-N 3.02Å; Y335-N341 HydrophobicContact CE2-CB 4.1Å; Y335-N341 WeakPolarHBondContact CE2-ND2 3.44Å; Y335-N341 PolarHBondContact OH-ND2 3.02Å; N341-I395 HydrophobicContact CB-CG2 4.08Å; N341-L396 CarbonylContact C-O 3.56Å; N341-L396 VanDerWaalsContact CA-O 3.23Å; N341-L396 WeakPolarHBondContact CA-O 3.32Å; N341-D397 VanDerWaalsContact OD1-CA 3.25Å; N341-D397 WeakPolarHBondContact OD1-CA 2.98Å; N341-N398 PolarHBondContact OD1-N 3.19Å
342L81.4Confident77.7Confident0 Ų064.9 Ų64.90%034%0.338CS..EExtended strand (participates in β ladder)trans-123127.8-177.3164.361.5000110.4D329 W332 I395 L396 L399 L430D329-L342 HydrophobicContact CB-CD1 3.5Å; D329-L342 VanDerWaalsContact CB-CD1 3.5Å; D329-L342 HydrophobicContact CB-CD2 4.21Å; D329-L342 HydrophobicContact CB-CG 4.46Å; W332-L342 HydrophobicContact CD2-CD1 3.94Å; W332-L342 HydrophobicContact CE3-CB 4.27Å; W332-L342 HydrophobicContact CE3-CD1 4.4Å; W332-L342 HydrophobicContact CG-CD1 4.36Å; W332-L342 HydrophobicContact CH2-CD1 4.49Å; W332-L342 HydrophobicContact CH2-CD2 4.23Å; W332-L342 HydrophobicContact CZ2-CD1 4Å; W332-L342 HydrophobicContact CZ2-CD2 4.32Å; W332-L342 HydrophobicContact CZ3-CB 4.37Å; L342-I395 CarbonylContact O-C 3.58Å; L342-I395 VanDerWaalsContact O-CA 3.27Å; L342-I395 WeakPolarHBondContact O-CA 3.32Å; L342-L396 HydrophobicContact CB-CB 4.47Å; L342-L396 HydrophobicContact CD2-CD1 4.49Å; L342-L396 PolarHBondContact N-O 3.21Å; L342-L396 PolarHBondContact O-N 2.83Å; L342-L399 HydrophobicContact CB-CD1 4.03Å; L342-L430 HydrophobicContact CD2-CD1 4Å; L342-L430 HydrophobicContact CD2-CD2 3.31Å; L342-L430 HydrophobicContact CD2-CG 4.28Å
343L87.8Confident78.8Confident28 Ų2862.2 Ų62.215%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-85.8107.1167.3-178.963.8000110.2S330 M331 K345 E393 I395S330-L343 PolarHBondContact N-O 3.35Å; S330-L343 WeakPolarHBondContact OG-CB 3.4Å; S330-L343 WeakPolarHBondContact OG-CD2 3.29Å; S330-L343 VanDerWaalsContact OG-CG 3.23Å; S330-L343 WeakPolarHBondContact OG-CG 3.33Å; S330-L343 PolarHBondContact OG-O 3.01Å; M331-L343 HydrophobicContact CB-CB 4.1Å; M331-L343 HydrophobicContact CB-CD2 4.31Å; M331-L343 HydrophobicContact CG-CD2 4.48Å; M331-L343 PolarHBondContact O-N 3.47Å; M331-L343 HydrophobicContact SD-CD2 4.35Å; L343-K345 HydrophobicContact CG-CG 4.37Å; L343-E393 HydrophobicContact CD1-CB 4.34Å; L343-I395 HydrophobicContact CD1-CG1 3.72Å
344L90.1Very high80.5Confident0 Ų054.4 Ų54.40%030%0.301CS..EExtended strand (participates in β ladder)trans-87.8133.5173.5-168.871.2000109.8V327 W346 I361 E393 C394 I407 V409 I428V327-L344 HydrophobicContact CG1-CD1 3.77Å; V327-L344 HydrophobicContact CG1-CD2 4.38Å; V327-L344 HydrophobicContact CG1-CG 4.22Å; L344-W346 HydrophobicContact CB-CZ3 4.41Å; L344-W346 HydrophobicContact CD2-CE3 4.24Å; L344-W346 HydrophobicContact CD2-CZ3 4.13Å; L344-W346 HydrophobicContact CG-CE3 4.16Å; L344-W346 HydrophobicContact CG-CZ3 4.25Å; L344-I361 HydrophobicContact CD2-CG2 4.02Å; L344-E393 CarbonylContact O-C 3.53Å; L344-E393 WeakPolarHBondContact O-CA 3.14Å; L344-E393 WeakPolarHBondContact O-CB 3.43Å; L344-C394 PolarHBondContact N-O 3.24Å; L344-C394 PolarHBondContact O-N 3.44Å; L344-I407 HydrophobicContact CD2-CG2 4.06Å; L344-V409 HydrophobicContact CD2-CG2 3.81Å; L344-I428 HydrophobicContact CD1-CD1 3.77Å
345K93.1Very high82.1Confident75 Ų7553.9 Ų53.933%0.32630%0.302SS..EExtended strand (participates in β ladder)trans-127.2148.9173.9-57.2-167.3-175-132.40110.7V327 T328 S330 L343 E393V327-K345 CarbonylContact C-O 3.57Å; V327-K345 WeakPolarHBondContact CA-O 3.23Å; T328-K345 PolarHBondContact N-O 3.11Å; T328-K345 PolarHBondContact O-N 3.07Å; T328-K345 PolarHBondContact OG1-O 3.13Å; S330-K345 VanDerWaalsContact OG-CE 3.23Å; S330-K345 WeakPolarHBondContact OG-CE 3.44Å; L343-K345 HydrophobicContact CG-CG 4.37Å; K345-E393 HydrophobicContact CB-CB 4.42Å; K345-E393 VanDerWaalsContact CE-OE2 3.28Å; K345-E393 WeakPolarHBondContact CE-OE2 3.39Å; K345-E393 HydrophobicContact CG-CB 3.87Å; K345-E393 IonicContact NZ-OE2 2.94Å; K345-E393 PolarHBondContact NZ-OE2 2.94Å
346W93.3Very high84.1Confident8 Ų851.1 Ų51.13%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-146.7176.4175.559.994.6000110.9R325 V327 L344 Y359 I361 I387 T392 C394 V409R325-W346 CarbonylContact O-C 3.51Å; V327-W346 HydrophobicContact CG2-CB 3.91Å; L344-W346 HydrophobicContact CB-CZ3 4.41Å; L344-W346 HydrophobicContact CD2-CE3 4.24Å; L344-W346 HydrophobicContact CD2-CZ3 4.13Å; L344-W346 HydrophobicContact CG-CE3 4.16Å; L344-W346 HydrophobicContact CG-CZ3 4.25Å; W346-Y359 HydrophobicContact CZ2-CD2 4.01Å; W346-Y359 HydrophobicContact CZ2-CG 4.08Å; W346-Y359 AromaticContact NE1-CD1 3.54Å; W346-Y359 AromaticContact NE1-CD2 3.46Å; W346-Y359 AromaticContact NE1-CE1 3.66Å; W346-Y359 AromaticContact NE1-CE2 3.57Å; W346-Y359 AromaticContact NE1-CG 3.45Å; W346-Y359 AromaticContact NE1-CZ 3.68Å; W346-I361 HydrophobicContact CH2-CD1 3.89Å; W346-I361 HydrophobicContact CH2-CG1 4.21Å; W346-I361 HydrophobicContact CZ2-CD1 4.26Å; W346-I361 HydrophobicContact CZ3-CG1 4.44Å; W346-I387 HydrophobicContact CH2-CG1 4.3Å; W346-I387 HydrophobicContact CH2-CG2 4.36Å; W346-I387 HydrophobicContact CZ2-CB 4.41Å; W346-I387 HydrophobicContact CZ2-CG2 4.16Å; W346-T392 PolarHBondContact N-O 3.46Å; W346-T392 VanDerWaalsContact O-CB 3.25Å; W346-T392 WeakPolarHBondContact O-CB 3.43Å; W346-T392 PolarHBondContact O-OG1 3.26Å; W346-C394 HydrophobicContact CH2-CB 3.95Å; W346-C394 HydrophobicContact CZ3-CB 4.19Å; W346-V409 HydrophobicContact CD2-CG1 4.14Å; W346-V409 HydrophobicContact CG-CG1 4.3Å
347Q94.5Very high86Confident82 Ų8247.5 Ų47.538%0.38327%0.266SS..EExtended strand (participates in β ladder)trans-117.8152.7171.4-68.8-178.3-10.100110.3R325 N326R325-Q347 HydrophobicContact CB-CB 4.17Å; R325-Q347 PolarHBondContact N-O 3.01Å; R325-Q347 PolarHBondContact O-N 3.4Å; N326-Q347 HydrophobicContact CB-CG 4.31Å; N326-Q347 PolarHBondContact ND2-OE1 2.95Å
348P94.6Very high87.9Confident57 Ų5746.4 Ų46.437%0.3725%0.252SS..  trans-60.6159.5175.8-22.834.6000113R325 Y359 T392R325-P348 PolarHBondContact NH1-O 3.33Å; R325-P348 PolarHBondContact NH2-O 3.12Å; P348-Y359 WeakPolarHBondContact CA-OH 3.48Å; P348-Y359 WeakPolarHBondContact CB-OH 3.47Å; P348-T392 HydrophobicContact CG-CG2 4Å
349P95.1Very high89.8Confident17 Ų1745.5 Ų45.511%0.1124%0.242CC..  trans-56.1159.7172.1-2436.1000113.7G322 R325 L356 A411G322-P349 VanDerWaalsContact O-CB 3.26Å; G322-P349 WeakPolarHBondContact O-CB 3.21Å; G322-P349 WeakPolarHBondContact O-CG 3.26Å; R325-P349 PolarHBondContact NH1-O 3.47Å; R325-P349 VanDerWaalsContact NH1-O 3.14Å; P349-L356 HydrophobicContact CG-CD1 4.25Å; P349-A411 HydrophobicContact CG-CB 3.68Å
350V90.9Very high91Very high125 Ų12542.2 Ų42.276%0.75823%0.229SC*.SBendtrans-74.6-40.1179.4-174.80000110.3
351Q88.5Confident92Very high143 Ų14342.2 Ų42.267%0.66823%0.229SC*.  trans-134.5140.3-174.8-174.8176.418.900108.9G322G322-Q351 PolarHBondContact N-O 2.9Å; G322-Q351 VanDerWaalsContact N-O 3.12Å
352S94.4Very high92.4Very high42 Ų4241.8 Ų41.829%0.29423%0.228SC..  trans-151.6129.5168.3-170.50000107.9L354S352-L354 VanDerWaalsContact C-N 3.25Å; S352-L354 WeakPolarHBondContact CB-O 3.48Å; S352-L354 PolarHBondContact OG-O 2.96Å
353D93.8Very high92.6Very high33 Ų3342.5 Ų42.518%0.17623%0.23CC..SBendtrans-70.2-30177-67.9-12.6000110.9P285 R287 P318 S319P285-D353 HydrophobicContact CB-CB 4.37Å; R287-D353 PolarHBondContact NH1-O 3.49Å; R287-D353 PolarHBondContact NH2-O 3.08Å; P318-D353 HydrophobicContact CB-CB 3.78Å; S319-D353 WeakPolarHBondContact CB-OD2 3.49Å; S319-D353 PolarHBondContact N-OD2 2.82Å
354L96Very high92.3Very high4 Ų442.6 Ų42.62%0.02123%0.233CC..SBendtrans-115.1154.4-180-63.5-166.5000111.4I255 P318 S352 S413 W415 L421I255-L354 HydrophobicContact CG2-CD1 3.83Å; I255-L354 HydrophobicContact CG2-CD2 3.56Å; I255-L354 HydrophobicContact CG2-CG 4.24Å; P318-L354 HydrophobicContact CB-CD1 4.17Å; P318-L354 HydrophobicContact CB-CD2 4.06Å; P318-L354 HydrophobicContact CB-CG 3.78Å; P318-L354 HydrophobicContact CG-CD1 3.73Å; P318-L354 HydrophobicContact CG-CD2 4.22Å; P318-L354 HydrophobicContact CG-CG 3.92Å; S352-L354 VanDerWaalsContact C-N 3.25Å; S352-L354 WeakPolarHBondContact CB-O 3.48Å; S352-L354 PolarHBondContact OG-O 2.96Å; L354-S413 PolarHBondContact O-OG 2.83Å; L354-W415 HydrophobicContact CD1-CB 3.7Å; L354-W415 HydrophobicContact CD1-CG 4.05Å; L354-L421 HydrophobicContact CD1-CD1 4.05Å
355P94.9Very high91.6Very high71 Ų7144 Ų4446%0.46124%0.241SC..  trans-59.3144.116926.4-33.8000110.6I255 S413I255-P355 HydrophobicContact CD1-CG 3.64Å; P355-S413 WeakPolarHBondContact O-CB 3.44Å; P355-S413 PolarHBondContact O-OG 3.36Å
356L95.4Very high90.4Very high41 Ų4143.6 Ų43.622%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-73.9139.8176.1-59.2177.6000109.5P321 P349 Y359 A389 A411 T412P321-L356 HydrophobicContact CB-CD2 3.65Å; P321-L356 HydrophobicContact CG-CD2 4.14Å; P349-L356 HydrophobicContact CG-CD1 4.25Å; L356-Y359 HydrophobicContact CD1-CE1 4.23Å; L356-Y359 VanDerWaalsContact CD1-OH 3.28Å; L356-Y359 WeakPolarHBondContact CD1-OH 3.34Å; L356-A389 VanDerWaalsContact C-CB 3.5Å; L356-A389 HydrophobicContact CB-CB 3.59Å; L356-A389 WeakPolarHBondContact O-CB 3.31Å; L356-A411 HydrophobicContact CD2-CB 4.06Å; L356-T412 WeakPolarHBondContact CA-O 3.4Å
357T92.4Very high88.6Confident53 Ų5346.4 Ų46.433%0.32526%0.255SS..EExtended strand (participates in β ladder)trans-98.1-45.317449.80000110.8A389 T412T357-A389 WeakPolarHBondContact O-CB 3.38Å; T357-A389 PolarHBondContact O-N 2.95Å; T357-A389 VanDerWaalsContact O-N 3.12Å; T357-T412 PolarHBondContact N-O 3.36Å; T357-T412 PolarHBondContact OG1-O 3.37Å; T357-T412 VanDerWaalsContact OG1-O 3.07Å
358E94.6Very high86.4Confident59 Ų5945.2 Ų45.228%0.27627%0.265SS..EExtended strand (participates in β ladder)trans-156.4165.3-174.760.3-174-144.500113T386 I387 T412E358-T386 HydrophobicContact CB-CG2 3.76Å; E358-T386 HydrophobicContact CG-CG2 3.93Å; E358-T386 WeakPolarHBondContact OE2-CG2 3.28Å; E358-I387 CarbonylContact C-O 3.56Å; E358-I387 WeakPolarHBondContact CA-O 3.37Å; E358-I387 VanDerWaalsContact CB-O 3.31Å; E358-I387 WeakPolarHBondContact CB-O 2.99Å; E358-T412 HydrophobicContact CG-CG2 4.29Å; E358-T412 PolarHBondContact N-O 2.75Å; E358-T412 PolarHBondContact O-N 2.72Å
359Y96.3Very high83.7Confident1 Ų147 Ų470%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-110.5133.2165.2-63.4-78000109.5P324 W346 P348 L356 T386 I387 A389 R391 T392 K410 A411P324-Y359 HydrophobicContact CG-CD1 3.97Å; P324-Y359 HydrophobicContact CG-CE1 4.1Å; W346-Y359 HydrophobicContact CZ2-CD2 4.01Å; W346-Y359 HydrophobicContact CZ2-CG 4.08Å; W346-Y359 AromaticContact NE1-CD1 3.54Å; W346-Y359 AromaticContact NE1-CD2 3.46Å; W346-Y359 AromaticContact NE1-CE1 3.66Å; W346-Y359 AromaticContact NE1-CE2 3.57Å; W346-Y359 AromaticContact NE1-CG 3.45Å; W346-Y359 AromaticContact NE1-CZ 3.68Å; P348-Y359 WeakPolarHBondContact CA-OH 3.48Å; P348-Y359 WeakPolarHBondContact CB-OH 3.47Å; L356-Y359 HydrophobicContact CD1-CE1 4.23Å; L356-Y359 VanDerWaalsContact CD1-OH 3.28Å; L356-Y359 WeakPolarHBondContact CD1-OH 3.34Å; Y359-T386 WeakPolarHBondContact O-CA 3.44Å; Y359-I387 PolarHBondContact N-O 3.21Å; Y359-I387 PolarHBondContact O-N 2.92Å; Y359-A389 WeakPolarHBondContact CE2-O 3.34Å; Y359-R391 WeakPolarHBondContact CD2-O 3.31Å; Y359-R391 WeakPolarHBondContact CE2-O 3.37Å; Y359-T392 HydrophobicContact CE2-CG2 4.37Å; Y359-K410 CarbonylContact C-O 3.53Å; Y359-K410 WeakPolarHBondContact CA-O 3.21Å; Y359-A411 HydrophobicContact CD1-CB 3.94Å; Y359-A411 HydrophobicContact CE1-CB 3.8Å
360L91.7Very high80.9Confident26 Ų2654.6 Ų54.614%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-103115.1175.6-17369.2000109.3T362 T384 V409 K410L360-T362 HydrophobicContact CD2-CG2 4.4Å; L360-T362 HydrophobicContact CG-CG2 4.2Å; L360-T384 HydrophobicContact CD1-CG2 3.34Å; L360-T384 HydrophobicContact CG-CG2 4.2Å; L360-V409 WeakPolarHBondContact O-CA 3.28Å; L360-K410 HydrophobicContact CB-CB 4.33Å; L360-K410 HydrophobicContact CD2-CD 4.46Å; L360-K410 PolarHBondContact N-O 2.93Å; L360-K410 PolarHBondContact O-N 2.93Å
361I92.7Very high78.3Confident0 Ų054.5 Ų54.50%030%0.295CS..EExtended strand (participates in β ladder)trans-105.9120.8177.3-55.690.9000107.9L344 W346 W363 T384 R385 I387 L396 I407 Q408 V409L344-I361 HydrophobicContact CD2-CG2 4.02Å; W346-I361 HydrophobicContact CH2-CD1 3.89Å; W346-I361 HydrophobicContact CH2-CG1 4.21Å; W346-I361 HydrophobicContact CZ2-CD1 4.26Å; W346-I361 HydrophobicContact CZ3-CG1 4.44Å; I361-W363 HydrophobicContact CG2-CE3 4.24Å; I361-T384 CarbonylContact O-C 3.59Å; I361-T384 WeakPolarHBondContact O-CA 3.35Å; I361-R385 PolarHBondContact N-O 2.88Å; I361-R385 PolarHBondContact O-N 3.37Å; I361-I387 HydrophobicContact CD1-CB 3.97Å; I361-I387 HydrophobicContact CD1-CG1 3.36Å; I361-L396 HydrophobicContact CG2-CD2 4.21Å; I361-I407 HydrophobicContact CG2-CG2 4.1Å; I361-Q408 CarbonylContact C-O 3.55Å; I361-Q408 WeakPolarHBondContact CA-O 3.41Å; I361-V409 HydrophobicContact CG1-CG1 4.19Å; I361-V409 HydrophobicContact CG1-CG2 4.33Å; I361-V409 HydrophobicContact CG2-CG2 4.5Å
362T87.9Confident76Confident13 Ų1354.2 Ų54.28%0.0830%0.303CS..EExtended strand (participates in β ladder)trans-120.2137.717468.60000109.9L360 Q382 F383 T384 I407 Q408L360-T362 HydrophobicContact CD2-CG2 4.4Å; L360-T362 HydrophobicContact CG-CG2 4.2Å; T362-Q382 VanDerWaalsContact CB-NE2 3.28Å; T362-Q382 PolarHBondContact OG1-NE2 2.88Å; T362-F383 CarbonylContact C-O 3.52Å; T362-F383 WeakPolarHBondContact CA-O 3.38Å; T362-T384 HydrophobicContact CG2-CG2 4.03Å; T362-I407 CarbonylContact O-C 3.44Å; T362-I407 WeakPolarHBondContact O-CA 3.13Å; T362-Q408 PolarHBondContact N-O 3.16Å; T362-Q408 PolarHBondContact O-N 3.43Å
363W86.7Confident73.6Confident14 Ų1458.4 Ų58.45%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-140.8143.5175.569.8101000111.3I361 F383 R385 L396 K406 I407I361-W363 HydrophobicContact CG2-CE3 4.24Å; W363-F383 HydrophobicContact CD2-CB 3.59Å; W363-F383 AromaticContact CE2-CG 3.83Å; W363-F383 HydrophobicContact CE3-CB 3.94Å; W363-F383 HydrophobicContact CG-CB 4.2Å; W363-F383 HydrophobicContact CH2-CB 3.71Å; W363-F383 HydrophobicContact CZ2-CB 3.34Å; W363-F383 HydrophobicContact CZ2-CD1 4.45Å; W363-F383 AromaticContact CZ2-CG 3.94Å; W363-F383 HydrophobicContact CZ2-CG 3.94Å; W363-F383 HydrophobicContact CZ3-CB 3.99Å; W363-F383 PolarHBondContact N-O 3.45Å; W363-F383 AromaticContact NE1-CD2 3.65Å; W363-F383 AromaticContact NE1-CG 3.79Å; W363-F383 PolarHBondContact O-N 3.26Å; W363-R385 HydrophobicContact CH2-CB 4.11Å; W363-R385 HydrophobicContact CZ3-CB 3.69Å; W363-L396 HydrophobicContact CD2-CD1 4.4Å; W363-L396 HydrophobicContact CD2-CD2 4.01Å; W363-L396 HydrophobicContact CE3-CD2 3.72Å; W363-L396 HydrophobicContact CG-CD1 4.41Å; W363-L396 HydrophobicContact CH2-CD2 4.01Å; W363-L396 HydrophobicContact CZ2-CD2 4.26Å; W363-L396 HydrophobicContact CZ3-CD2 3.73Å; W363-K406 VanDerWaalsContact CA-O 3.25Å; W363-K406 WeakPolarHBondContact CA-O 3.5Å; W363-I407 HydrophobicContact CB-CB 4.37Å; W363-I407 HydrophobicContact CB-CD1 3.85Å; W363-I407 HydrophobicContact CB-CG1 3.83Å; W363-I407 HydrophobicContact CB-CG2 4.36Å
364S81.2Confident71.1Confident30 Ų3060.3 Ų60.321%0.2135%0.349CS..EExtended strand (participates in β ladder)trans-144.9156.9177.560.40000109.6D366 Y405 K406S364-D366 PolarHBondContact O-N 3.23Å; S364-Y405 CarbonylContact O-C 3.52Å; S364-Y405 VanDerWaalsContact O-CA 3.28Å; S364-Y405 WeakPolarHBondContact O-CA 3.36Å; S364-K406 PolarHBondContact N-O 2.84Å; S364-K406 VanDerWaalsContact N-O 3.08Å; S364-K406 PolarHBondContact O-N 3.3Å
365I74.5Confident68.4Low31 Ų3171.1 Ų71.116%0.15939%0.39CS..EExtended strand (participates in β ladder)trans-63128.5172.8-63.7174.4000108H367 K400 T403 S404 Y405I365-H367 PolarHBondContact O-N 3.02Å; I365-H367 VanDerWaalsContact O-N 3.16Å; I365-K400 HydrophobicContact CD1-CD 4.15Å; I365-T403 HydrophobicContact CB-CG2 4.38Å; I365-T403 HydrophobicContact CD1-CG2 4.14Å; I365-T403 HydrophobicContact CG1-CG2 3.91Å; I365-T403 HydrophobicContact CG2-CG2 3.72Å; I365-S404 WeakPolarHBondContact CA-O 3.29Å; I365-Y405 HydrophobicContact CG1-CD1 4.15Å; I365-Y405 HydrophobicContact CG1-CE1 3.55Å
366D68.5Low65.7Low65 Ų6571.3 Ų71.335%0.34839%0.39SS..  trans-83.188.2176.9-172.131.2000109S364 G368 S404 K406 F429S364-D366 PolarHBondContact O-N 3.23Å; D366-G368 PolarHBondContact O-N 3.03Å; D366-G368 VanDerWaalsContact O-N 3.15Å; D366-S404 PolarHBondContact N-O 3.49Å; D366-K406 HydrophobicContact CB-CB 4.36Å; D366-F429 WeakPolarHBondContact OD2-CD1 3.17Å
367H55.3Low63.2Low68 Ų6876 Ų7632%0.31541%0.414SS..  trans-77.195.6169.5-60.3-76.1000107.3I365 Y369 A379I365-H367 PolarHBondContact O-N 3.02Å; I365-H367 VanDerWaalsContact O-N 3.16Å; H367-Y369 PolarHBondContact O-N 2.79Å; H367-A379 WeakPolarHBondContact NE2-CA 3.31Å
368G48.8Very low60.9Low56 Ų5678 Ų7858%0.57742%0.42SS*.SBendtrans-56.7-2.3175.300000114.9D366D366-G368 PolarHBondContact O-N 3.03Å; D366-G368 VanDerWaalsContact O-N 3.15Å
369Y38.1Very low58.6Low95 Ų9577.7 Ų77.737%0.37343%0.427SS..SBendtrans-145.7127.8-172.8-69.7-81.8000112H367 H371 K671 D710H367-Y369 PolarHBondContact O-N 2.79Å; Y369-H371 VanDerWaalsContact C-N 3.28Å; Y369-H371 PolarHBondContact O-N 2.83Å; Y369-K671 WeakPolarHBondContact OH-CD 3.44Å; Y369-K671 WeakPolarHBondContact OH-CE 3.46Å; Y369-K671 PolarHBondContact OH-NZ 2.03Å; Y369-D710 PolarHBondContact OH-OD1 3.42Å
370L36.3Very low56.4Low176 Ų17684.4 Ų84.492%0.92146%0.462SS*.  trans-60.895.9148.3-82148.9000106.4T372L370-T372 PolarHBondContact O-N 3.15Å
371H35.2Very low54.9Low124 Ų12487 Ų8757%0.57448%0.476SS*.  trans-56.6125.8161.7-88.1-79.4000106.9Y369 D373 G374Y369-H371 VanDerWaalsContact C-N 3.28Å; Y369-H371 PolarHBondContact O-N 2.83Å; H371-D373 PolarHBondContact O-N 3.32Å; H371-G374 PolarHBondContact O-N 3.17Å
372T41.5Very low54Low137 Ų13792.3 Ų92.384%0.8450%0.5SS*.THydrogen-bonded Turntrans-55.2-7.2-176.142.70000114.3L370 G374L370-T372 PolarHBondContact O-N 3.15Å; T372-G374 VanDerWaalsContact C-N 3.34Å; T372-G374 PolarHBondContact O-N 3Å
373D43.8Very low53.6Low130 Ų13096.2 Ų96.270%0.69552%0.516SS*.THydrogen-bonded Turntrans-95.219.9-176.7-59.2-6.6000112.9H371 R375H371-D373 PolarHBondContact O-N 3.32Å; D373-R375 WeakPolarHBondContact O-CB 3.2Å; D373-R375 PolarHBondContact O-N 2.67Å
374G41.5Very low53.5Low73 Ų7399.5 Ų99.575%0.75354%0.538SS*.SBendtrans52.28.8156.400000119H371 T372H371-G374 PolarHBondContact O-N 3.17Å; T372-G374 VanDerWaalsContact C-N 3.34Å; T372-G374 PolarHBondContact O-N 3Å
375R39.1Very low53.7Low231 Ų231101.7 Ų101.787%0.87254%0.542SS*.  trans-14622.9-165.1-67.3-169.3176.2-172.80.3114.9D373 L377D373-R375 WeakPolarHBondContact O-CB 3.2Å; D373-R375 PolarHBondContact O-N 2.67Å; R375-L377 VanDerWaalsContact C-N 3.27Å; R375-L377 PolarHBondContact O-N 3.49Å
376T38.9Very low54.4Low75 Ų75103.7 Ų103.746%0.4656%0.555SS.*  trans-77.585.8164.947.20000109E378 A379T376-E378 PolarHBondContact O-N 2.6Å; T376-A379 WeakPolarHBondContact O-CB 3.18Å; T376-A379 PolarHBondContact O-N 3.14Å
377L42.5Very low55.5Low138 Ų138101.9 Ų101.972%0.72355%0.545SS*.G310 helixtrans-52.4-25.3174.3-160.577.2000112R375 A379 L380R375-L377 VanDerWaalsContact C-N 3.27Å; R375-L377 PolarHBondContact O-N 3.49Å; L377-A379 VanDerWaalsContact C-N 3.27Å; L377-A379 PolarHBondContact O-N 2.82Å; L377-L380 HydrophobicContact CD1-CD1 4.36Å; L377-L380 PolarHBondContact O-N 3.4Å
378E44.6Very low57.2Low97 Ų97102.8 Ų102.845%0.45355%0.553SS.*G310 helixtrans-64.5-26.4175.8-64.2-158147.400113.8T376 L380 I381 K400T376-E378 PolarHBondContact O-N 2.6Å; E378-L380 PolarHBondContact O-N 3.36Å; E378-L380 VanDerWaalsContact O-N 3.15Å; E378-I381 PolarHBondContact O-N 3.37Å; E378-I381 VanDerWaalsContact O-N 3.15Å; E378-K400 IonicContact OE1-NZ 2.7Å; E378-K400 PolarHBondContact OE1-NZ 3.24Å; E378-K400 IonicContact OE2-NZ 3.65Å; E378-K400 PolarHBondContact OE2-NZ 3.19Å
379A45.8Very low59.1Low51 Ų51101.1 Ų101.142%0.42153%0.533SS..G310 helixtrans-66.6-15.1178.200000113.4H367 T376 L377H367-A379 WeakPolarHBondContact NE2-CA 3.31Å; T376-A379 WeakPolarHBondContact O-CB 3.18Å; T376-A379 PolarHBondContact O-N 3.14Å; L377-A379 VanDerWaalsContact C-N 3.27Å; L377-A379 PolarHBondContact O-N 2.82Å
380L49.1Very low61.4Low142 Ų142105.2 Ų105.274%0.74356%0.556SS**G310 helixtrans-92.8-6.9179.4-67163.3000112.9L377 E378 Q382L377-L380 HydrophobicContact CD1-CD1 4.36Å; L377-L380 PolarHBondContact O-N 3.4Å; E378-L380 PolarHBondContact O-N 3.36Å; E378-L380 VanDerWaalsContact O-N 3.15Å; L380-Q382 PolarHBondContact O-N 2.84Å; L380-Q382 VanDerWaalsContact O-N 3.15Å
381I61Low64Low81 Ų81105.2 Ų105.242%0.41554%0.544SS..  trans-87.293.5-174.2-51.7176.2000109.2E378 F383E378-I381 PolarHBondContact O-N 3.37Å; E378-I381 VanDerWaalsContact O-N 3.15Å; I381-F383 HydrophobicContact CG2-CD2 4.39Å; I381-F383 HydrophobicContact CG2-CE1 4.1Å; I381-F383 HydrophobicContact CG2-CE2 3.71Å; I381-F383 HydrophobicContact CG2-CZ 3.54Å
382Q73.8Confident66.7Low111 Ų111101.6 Ų101.652%0.51953%0.53SS..EExtended strand (participates in β ladder)trans-94.4127.1168.1-174.71788.400109.5T362 L380T362-Q382 VanDerWaalsContact CB-NE2 3.28Å; T362-Q382 PolarHBondContact OG1-NE2 2.88Å; L380-Q382 PolarHBondContact O-N 2.84Å; L380-Q382 VanDerWaalsContact O-N 3.15Å
383F78.6Confident69.2Low96 Ų9699.3 Ų99.342%0.42151%0.51SS..EExtended strand (participates in β ladder)trans-93.9143.3171.9-60.5-85.5000109.5T362 W363 I381T362-F383 CarbonylContact C-O 3.52Å; T362-F383 WeakPolarHBondContact CA-O 3.38Å; W363-F383 HydrophobicContact CD2-CB 3.59Å; W363-F383 AromaticContact CE2-CG 3.83Å; W363-F383 HydrophobicContact CE3-CB 3.94Å; W363-F383 HydrophobicContact CG-CB 4.2Å; W363-F383 HydrophobicContact CH2-CB 3.71Å; W363-F383 HydrophobicContact CZ2-CB 3.34Å; W363-F383 HydrophobicContact CZ2-CD1 4.45Å; W363-F383 AromaticContact CZ2-CG 3.94Å; W363-F383 HydrophobicContact CZ2-CG 3.94Å; W363-F383 HydrophobicContact CZ3-CB 3.99Å; W363-F383 PolarHBondContact N-O 3.45Å; W363-F383 AromaticContact NE1-CD2 3.65Å; W363-F383 AromaticContact NE1-CG 3.79Å; W363-F383 PolarHBondContact O-N 3.26Å; I381-F383 HydrophobicContact CG2-CD2 4.39Å; I381-F383 HydrophobicContact CG2-CE1 4.1Å; I381-F383 HydrophobicContact CG2-CE2 3.71Å; I381-F383 HydrophobicContact CG2-CZ 3.54Å
384T85.5Confident71.3Confident82 Ų8293.6 Ų93.650%0.50348%0.48SS..EExtended strand (participates in β ladder)trans-132.1139.5-179.5-610000109.3L360 I361 T362L360-T384 HydrophobicContact CD1-CG2 3.34Å; L360-T384 HydrophobicContact CG-CG2 4.2Å; I361-T384 CarbonylContact O-C 3.59Å; I361-T384 WeakPolarHBondContact O-CA 3.35Å; T362-T384 HydrophobicContact CG2-CG2 4.03Å
385R86.1Confident73.5Confident77 Ų7794.4 Ų94.429%0.29147%0.466SS..EExtended strand (participates in β ladder)trans-139.9137.1175-176.5169.7-67.3-178.74.5110.1I361 W363 I387 I395 D397I361-R385 PolarHBondContact N-O 2.88Å; I361-R385 PolarHBondContact O-N 3.37Å; W363-R385 HydrophobicContact CH2-CB 4.11Å; W363-R385 HydrophobicContact CZ3-CB 3.69Å; R385-I387 HydrophobicContact CG-CD1 4.06Å; R385-I387 HydrophobicContact CG-CG1 4.37Å; R385-I395 PolarHBondContact NH1-O 3.39Å; R385-D397 IonicContact CZ-OD1 2.71Å; R385-D397 IonicContact NH1-OD1 2.86Å; R385-D397 IonicContact NH2-OD1 3.2Å; R385-D397 PolarHBondContact NH2-OD1 3.27Å
386T87.8Confident75.7Confident73 Ų7383.4 Ų83.445%0.44843%0.425SS..EExtended strand (participates in β ladder)trans-106.9133.3177.2-53.10000109.4E358 Y359E358-T386 HydrophobicContact CB-CG2 3.76Å; E358-T386 HydrophobicContact CG-CG2 3.93Å; E358-T386 WeakPolarHBondContact OE2-CG2 3.28Å; Y359-T386 WeakPolarHBondContact O-CA 3.44Å
387I91.9Very high77.7Confident26 Ų2682.5 Ų82.513%0.13342%0.417CS..EExtended strand (participates in β ladder)trans-125.5136.3-178.7-61.5-65.5000108.4W346 E358 Y359 I361 R385 R391 C394W346-I387 HydrophobicContact CH2-CG1 4.3Å; W346-I387 HydrophobicContact CH2-CG2 4.36Å; W346-I387 HydrophobicContact CZ2-CB 4.41Å; W346-I387 HydrophobicContact CZ2-CG2 4.16Å; E358-I387 CarbonylContact C-O 3.56Å; E358-I387 WeakPolarHBondContact CA-O 3.37Å; E358-I387 VanDerWaalsContact CB-O 3.31Å; E358-I387 WeakPolarHBondContact CB-O 2.99Å; Y359-I387 PolarHBondContact N-O 3.21Å; Y359-I387 PolarHBondContact O-N 2.92Å; I361-I387 HydrophobicContact CD1-CB 3.97Å; I361-I387 HydrophobicContact CD1-CG1 3.36Å; R385-I387 HydrophobicContact CG-CD1 4.06Å; R385-I387 HydrophobicContact CG-CG1 4.37Å; I387-R391 HydrophobicContact CG2-CB 3.7Å; I387-C394 HydrophobicContact CD1-CB 3.79Å; I387-C394 HydrophobicContact CG1-CB 3.99Å
388N90.3Very high79.4Confident88 Ų8880 Ų8047%0.47140%0.404SS..EExtended strand (participates in β ladder)trans-60.6144176.9-179.4-74.1000111.4E390 R391N388-E390 PolarHBondContact O-N 2.86Å; N388-E390 VanDerWaalsContact O-N 3.11Å; N388-E390 WeakPolarHBondContact OD1-CB 3.46Å; N388-E390 WeakPolarHBondContact OD1-CG 3.45Å; N388-E390 PolarHBondContact OD1-N 3.37Å; N388-R391 PolarHBondContact O-N 3.44Å
389A89.1Confident81.1Confident21 Ų2175.6 Ų75.617%0.17438%0.384CS..THydrogen-bonded Turntrans-56.8-24.5-17700000116L356 T357 Y359 R391L356-A389 VanDerWaalsContact C-CB 3.5Å; L356-A389 HydrophobicContact CB-CB 3.59Å; L356-A389 WeakPolarHBondContact O-CB 3.31Å; T357-A389 WeakPolarHBondContact O-CB 3.38Å; T357-A389 PolarHBondContact O-N 2.95Å; T357-A389 VanDerWaalsContact O-N 3.12Å; Y359-A389 WeakPolarHBondContact CE2-O 3.34Å; A389-R391 PolarHBondContact O-N 2.98Å
390E87.9Confident82.3Confident181 Ų18177.2 Ų77.285%0.84638%0.381SS*.THydrogen-bonded Turntrans-70.8-19.4176.6-64.6179.1-179.500112.8N388N388-E390 PolarHBondContact O-N 2.86Å; N388-E390 VanDerWaalsContact O-N 3.11Å; N388-E390 WeakPolarHBondContact OD1-CB 3.46Å; N388-E390 WeakPolarHBondContact OD1-CG 3.45Å; N388-E390 PolarHBondContact OD1-N 3.37Å
391R89.1Confident83.4Confident176 Ų17672.8 Ų72.866%0.66436%0.361SS*.  trans-104.2137.3-178.6-62.7-176.9-176.3-1771.2110.8Y359 I387 N388 A389Y359-R391 WeakPolarHBondContact CD2-O 3.31Å; Y359-R391 WeakPolarHBondContact CE2-O 3.37Å; I387-R391 HydrophobicContact CG2-CB 3.7Å; N388-R391 PolarHBondContact O-N 3.44Å; A389-R391 PolarHBondContact O-N 2.98Å
392T92.8Very high83.8Confident47 Ų4772.1 Ų72.129%0.28837%0.368SS..  trans-124.223.9-178.966.10000112.9W346 P348 Y359W346-T392 PolarHBondContact N-O 3.46Å; W346-T392 VanDerWaalsContact O-CB 3.25Å; W346-T392 WeakPolarHBondContact O-CB 3.43Å; W346-T392 PolarHBondContact O-OG1 3.26Å; P348-T392 HydrophobicContact CG-CG2 4Å; Y359-T392 HydrophobicContact CE2-CG2 4.37Å
393E93Very high83.6Confident90 Ų9068.1 Ų68.142%0.42135%0.351SS..EExtended strand (participates in β ladder)trans-147.3150.3174.260.6177.5-147.400111.7L343 L344 K345L343-E393 HydrophobicContact CD1-CB 4.34Å; L344-E393 CarbonylContact O-C 3.53Å; L344-E393 WeakPolarHBondContact O-CA 3.14Å; L344-E393 WeakPolarHBondContact O-CB 3.43Å; K345-E393 HydrophobicContact CB-CB 4.42Å; K345-E393 VanDerWaalsContact CE-OE2 3.28Å; K345-E393 WeakPolarHBondContact CE-OE2 3.39Å; K345-E393 HydrophobicContact CG-CB 3.87Å; K345-E393 IonicContact NZ-OE2 2.94Å; K345-E393 PolarHBondContact NZ-OE2 2.94Å
394C88.4Confident83.5Confident10 Ų1065.5 Ų65.57%0.06835%0.345CS..EExtended strand (participates in β ladder)trans-153.5154.617477.10000112.1L344 W346 I387L344-C394 PolarHBondContact N-O 3.24Å; L344-C394 PolarHBondContact O-N 3.44Å; W346-C394 HydrophobicContact CH2-CB 3.95Å; W346-C394 HydrophobicContact CZ3-CB 4.19Å; I387-C394 HydrophobicContact CD1-CB 3.79Å; I387-C394 HydrophobicContact CG1-CB 3.99Å
395I87.3Confident83.3Confident90 Ų9061.9 Ų61.946%0.46232%0.322SS..EExtended strand (participates in β ladder)trans-99.1113.6178-60.3170.4000109.7N341 L342 L343 R385N341-I395 HydrophobicContact CB-CG2 4.08Å; L342-I395 CarbonylContact O-C 3.58Å; L342-I395 VanDerWaalsContact O-CA 3.27Å; L342-I395 WeakPolarHBondContact O-CA 3.32Å; L343-I395 HydrophobicContact CD1-CG1 3.72Å; R385-I395 PolarHBondContact NH1-O 3.39Å
396L86.9Confident83.1Confident0 Ų061.6 Ų61.60%032%0.323CS..EExtended strand (participates in β ladder)trans-80.4115.6168.1-55.8-176.5000109N341 L342 I361 W363 L399 I407N341-L396 CarbonylContact C-O 3.56Å; N341-L396 VanDerWaalsContact CA-O 3.23Å; N341-L396 WeakPolarHBondContact CA-O 3.32Å; L342-L396 HydrophobicContact CB-CB 4.47Å; L342-L396 HydrophobicContact CD2-CD1 4.49Å; L342-L396 PolarHBondContact N-O 3.21Å; L342-L396 PolarHBondContact O-N 2.83Å; I361-L396 HydrophobicContact CG2-CD2 4.21Å; W363-L396 HydrophobicContact CD2-CD1 4.4Å; W363-L396 HydrophobicContact CD2-CD2 4.01Å; W363-L396 HydrophobicContact CE3-CD2 3.72Å; W363-L396 HydrophobicContact CG-CD1 4.41Å; W363-L396 HydrophobicContact CH2-CD2 4.01Å; W363-L396 HydrophobicContact CZ2-CD2 4.26Å; W363-L396 HydrophobicContact CZ3-CD2 3.73Å; L396-L399 HydrophobicContact CB-CD1 4.24Å; L396-I407 HydrophobicContact CD1-CD1 3.18Å; L396-I407 HydrophobicContact CD1-CG2 4.36Å
397D81.1Confident83.1Confident56 Ų5658.2 Ų58.230%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-106.8160.5-172.560.5-60.6000112.8N341 R385 L399N341-D397 VanDerWaalsContact OD1-CA 3.25Å; N341-D397 WeakPolarHBondContact OD1-CA 2.98Å; R385-D397 IonicContact CZ-OD1 2.71Å; R385-D397 IonicContact NH1-OD1 2.86Å; R385-D397 IonicContact NH2-OD1 3.2Å; R385-D397 PolarHBondContact NH2-OD1 3.27Å; D397-L399 VanDerWaalsContact C-N 3.26Å; D397-L399 PolarHBondContact O-N 2.86Å
398N77.3Confident83Confident85 Ų8558.8 Ų58.846%0.45530%0.304SS..EExtended strand (participates in β ladder)trans60.129.4174.7-62.6-70000114.7K339 V340 N341K339-N398 HydrophobicContact CD-CB 4.12Å; K339-N398 WeakPolarHBondContact CD-OD1 3.48Å; K339-N398 PolarHBondContact NZ-OD1 3Å; V340-N398 PolarHBondContact O-N 3.09Å; N341-N398 PolarHBondContact OD1-N 3.19Å
399L79.8Confident83.2Confident4 Ų454.6 Ų54.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-68.5137.6174.5-54.7178.4000110.1V340 L342 L396 D397 Y405 L430 T432V340-L399 HydrophobicContact CB-CB 4.28Å; V340-L399 PolarHBondContact N-O 3.28Å; V340-L399 VanDerWaalsContact O-CB 3.31Å; V340-L399 WeakPolarHBondContact O-CB 3.3Å; V340-L399 PolarHBondContact O-N 2.84Å; L342-L399 HydrophobicContact CB-CD1 4.03Å; L396-L399 HydrophobicContact CB-CD1 4.24Å; D397-L399 VanDerWaalsContact C-N 3.26Å; D397-L399 PolarHBondContact O-N 2.86Å; L399-Y405 HydrophobicContact CB-CE2 4.09Å; L399-Y405 HydrophobicContact CD2-CD1 4.37Å; L399-Y405 HydrophobicContact CD2-CE1 3.99Å; L399-Y405 HydrophobicContact CD2-CE2 4.39Å; L399-L430 HydrophobicContact CD1-CD1 4.44Å; L399-T432 HydrophobicContact CB-CG2 4.06Å; L399-T432 HydrophobicContact CD1-CG2 4.39Å
400K71.6Confident83.3Confident85 Ų8556 Ų5637%0.3728%0.284SS..PPolyproline II helixtrans-64.2140.1173.9-62.8-177-178.7-177.50110.3I365 E378 T403 Y405 T432I365-K400 HydrophobicContact CD1-CD 4.15Å; E378-K400 IonicContact OE1-NZ 2.7Å; E378-K400 PolarHBondContact OE1-NZ 3.24Å; E378-K400 IonicContact OE2-NZ 3.65Å; E378-K400 PolarHBondContact OE2-NZ 3.19Å; K400-T403 WeakPolarHBondContact CB-OG1 3.22Å; K400-Y405 WeakPolarHBondContact CB-OH 3.39Å; K400-Y405 PolarHBondContact N-OH 2.78Å; K400-T432 WeakPolarHBondContact O-CB 3.4Å; K400-T432 WeakPolarHBondContact O-CG2 3.36Å; K400-T432 PolarHBondContact O-OG1 3.16Å
401P71.8Confident83.7Confident49 Ų4947.4 Ų47.432%0.31824%0.244SC..THydrogen-bonded Turntrans-71.3162.717532.3-34.8000111G338 V340 T403 T432 I435G338-P401 VanDerWaalsContact O-CD 3.28Å; G338-P401 WeakPolarHBondContact O-CD 3.32Å; G338-P401 VanDerWaalsContact O-CG 3.28Å; G338-P401 WeakPolarHBondContact O-CG 3.44Å; V340-P401 HydrophobicContact CG2-CB 4.24Å; P401-T403 PolarHBondContact O-N 2.04Å; P401-T403 PolarHBondContact O-OG1 2.91Å; P401-T432 WeakPolarHBondContact CA-OG1 3.43Å; P401-I435 HydrophobicContact CB-CD1 4.28Å
402A68.8Low84Confident68 Ų6839.1 Ų39.156%0.56221%0.212SC*.THydrogen-bonded Turntrans47.236.6179.400000114.3T432 Q433A402-T432 VanDerWaalsContact CA-O 3.25Å; A402-T432 WeakPolarHBondContact CA-O 3.42Å; A402-T432 PolarHBondContact N-O 2.87Å; A402-T432 PolarHBondContact N-OG1 3.06Å; A402-T432 VanDerWaalsContact N-OG1 3.08Å; A402-Q433 PolarHBondContact N-O 2.81Å; A402-Q433 VanDerWaalsContact N-O 3.15Å
403T69.7Low84.1Confident27 Ų2736.9 Ų36.917%0.16620%0.199CC..  trans-130135-173-56.90000110.1I365 K400 P401 Y405 T432I365-T403 HydrophobicContact CB-CG2 4.38Å; I365-T403 HydrophobicContact CD1-CG2 4.14Å; I365-T403 HydrophobicContact CG1-CG2 3.91Å; I365-T403 HydrophobicContact CG2-CG2 3.72Å; K400-T403 WeakPolarHBondContact CB-OG1 3.22Å; P401-T403 PolarHBondContact O-N 2.04Å; P401-T403 PolarHBondContact O-OG1 2.91Å; T403-Y405 HydrophobicContact CG2-CD2 4.26Å; T403-Y405 HydrophobicContact CG2-CE2 3.65Å; T403-T432 PolarHBondContact N-OG1 2.88Å; T403-T432 PolarHBondContact O-N 2.98Å; T403-T432 PolarHBondContact O-OG1 3.3Å; T403-T432 VanDerWaalsContact O-OG1 3.11Å
404S77.6Confident84.2Confident40 Ų4037 Ų3728%0.2820%0.196SC..EExtended strand (participates in β ladder)trans-86.5138.1173.9-59.10000111.1I365 D366 L430 S431I365-S404 WeakPolarHBondContact CA-O 3.29Å; D366-S404 PolarHBondContact N-O 3.49Å; S404-L430 CarbonylContact C-O 3.53Å; S404-L430 WeakPolarHBondContact CA-O 3.45Å; S404-S431 PolarHBondContact OG-OG 3.38Å
405Y80.8Confident84.5Confident7 Ų736.8 Ų36.83%0.02719%0.194CC..EExtended strand (participates in β ladder)trans-126.8140.2179.2-71.3-92.9000110.5S364 I365 L399 K400 T403 F429 L430 T432S364-Y405 CarbonylContact O-C 3.52Å; S364-Y405 VanDerWaalsContact O-CA 3.28Å; S364-Y405 WeakPolarHBondContact O-CA 3.36Å; I365-Y405 HydrophobicContact CG1-CD1 4.15Å; I365-Y405 HydrophobicContact CG1-CE1 3.55Å; L399-Y405 HydrophobicContact CB-CE2 4.09Å; L399-Y405 HydrophobicContact CD2-CD1 4.37Å; L399-Y405 HydrophobicContact CD2-CE1 3.99Å; L399-Y405 HydrophobicContact CD2-CE2 4.39Å; K400-Y405 WeakPolarHBondContact CB-OH 3.39Å; K400-Y405 PolarHBondContact N-OH 2.78Å; T403-Y405 HydrophobicContact CG2-CD2 4.26Å; T403-Y405 HydrophobicContact CG2-CE2 3.65Å; Y405-F429 WeakPolarHBondContact O-CA 3.18Å; Y405-L430 HydrophobicContact CD2-CD1 4.11Å; Y405-L430 HydrophobicContact CG-CD1 4.33Å; Y405-L430 PolarHBondContact N-O 2.82Å; Y405-L430 PolarHBondContact O-N 3.49Å; Y405-T432 HydrophobicContact CD2-CG2 4.26Å; Y405-T432 HydrophobicContact CE2-CG2 4.06Å
406K81.4Confident84.8Confident71 Ų7134.1 Ų34.131%0.30918%0.18SC..EExtended strand (participates in β ladder)trans-95.2125.9165178.9-176.9178.8-175.20108.2W363 S364 D366 Q408 T427 F429W363-K406 VanDerWaalsContact CA-O 3.25Å; W363-K406 WeakPolarHBondContact CA-O 3.5Å; S364-K406 PolarHBondContact N-O 2.84Å; S364-K406 VanDerWaalsContact N-O 3.08Å; S364-K406 PolarHBondContact O-N 3.3Å; D366-K406 HydrophobicContact CB-CB 4.36Å; K406-Q408 HydrophobicContact CG-CG 4.48Å; K406-T427 HydrophobicContact CD-CG2 4.47Å; K406-T427 HydrophobicContact CG-CG2 3.91Å; K406-F429 HydrophobicContact CB-CD1 3.96Å; K406-F429 HydrophobicContact CB-CE1 3.75Å; K406-F429 HydrophobicContact CD-CE1 4Å; K406-F429 HydrophobicContact CD-CZ 4.25Å; K406-F429 HydrophobicContact CG-CD1 4.2Å; K406-F429 HydrophobicContact CG-CE1 3.65Å; K406-F429 HydrophobicContact CG-CZ 4.06Å
407I87.9Confident84.9Confident1 Ų136.8 Ų36.81%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-123.3132.6-178.8-49.9-146.6000109.5L344 I361 T362 W363 L396 T427 I428 L430L344-I407 HydrophobicContact CD2-CG2 4.06Å; I361-I407 HydrophobicContact CG2-CG2 4.1Å; T362-I407 CarbonylContact O-C 3.44Å; T362-I407 WeakPolarHBondContact O-CA 3.13Å; W363-I407 HydrophobicContact CB-CB 4.37Å; W363-I407 HydrophobicContact CB-CD1 3.85Å; W363-I407 HydrophobicContact CB-CG1 3.83Å; W363-I407 HydrophobicContact CB-CG2 4.36Å; L396-I407 HydrophobicContact CD1-CD1 3.18Å; L396-I407 HydrophobicContact CD1-CG2 4.36Å; I407-T427 CarbonylContact O-C 3.57Å; I407-T427 VanDerWaalsContact O-CA 3.24Å; I407-T427 WeakPolarHBondContact O-CA 3.02Å; I407-I428 HydrophobicContact CB-CG1 4.04Å; I407-I428 PolarHBondContact N-O 2.96Å; I407-I428 PolarHBondContact O-N 3.48Å; I407-L430 HydrophobicContact CD1-CD1 4.25Å; I407-L430 HydrophobicContact CD1-CD2 3.2Å; I407-L430 HydrophobicContact CD1-CG 3.94Å; I407-L430 HydrophobicContact CG1-CD2 3.63Å; I407-L430 HydrophobicContact CG1-CG 4.1Å
408Q89.5Confident85.4Confident39 Ų3938.6 Ų38.618%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-126.9127.8-179.7-54.4-166.7-74.600110.1I361 T362 K406 P425 N426 T427I361-Q408 CarbonylContact C-O 3.55Å; I361-Q408 WeakPolarHBondContact CA-O 3.41Å; T362-Q408 PolarHBondContact N-O 3.16Å; T362-Q408 PolarHBondContact O-N 3.43Å; K406-Q408 HydrophobicContact CG-CG 4.48Å; Q408-P425 HydrophobicContact CB-CB 3.95Å; Q408-P425 HydrophobicContact CG-CB 4.45Å; Q408-N426 CarbonylContact C-O 3.51Å; Q408-N426 WeakPolarHBondContact CA-O 3.26Å; Q408-T427 HydrophobicContact CG-CG2 3.96Å; Q408-T427 PolarHBondContact NE2-OG1 3.37Å
409V94.5Very high86.1Confident0 Ų035.4 Ų35.40%020%0.199CC..EExtended strand (participates in β ladder)trans-113.8121.4175.5-169.50000108.3P324 V327 L344 W346 L360 I361 N426P324-V409 HydrophobicContact CB-CB 4.49Å; P324-V409 HydrophobicContact CB-CG1 4.05Å; P324-V409 WeakPolarHBondContact CD-O 3.42Å; P324-V409 HydrophobicContact CG-CB 4.32Å; P324-V409 HydrophobicContact CG-CG1 3.81Å; V327-V409 HydrophobicContact CG1-CG2 3.74Å; V327-V409 HydrophobicContact CG2-CB 4.16Å; V327-V409 HydrophobicContact CG2-CG2 4.06Å; L344-V409 HydrophobicContact CD2-CG2 3.81Å; W346-V409 HydrophobicContact CD2-CG1 4.14Å; W346-V409 HydrophobicContact CG-CG1 4.3Å; L360-V409 WeakPolarHBondContact O-CA 3.28Å; I361-V409 HydrophobicContact CG1-CG1 4.19Å; I361-V409 HydrophobicContact CG1-CG2 4.33Å; I361-V409 HydrophobicContact CG2-CG2 4.5Å; V409-N426 PolarHBondContact N-O 3.36Å; V409-N426 PolarHBondContact O-N 2.87Å
410K93.1Very high86.7Confident51 Ų5139.5 Ų39.522%0.22222%0.221CC..EExtended strand (participates in β ladder)trans-113.9149.5173.1-62.8175.1173.7-178.70110.1Y359 L360 E422 S423 P425Y359-K410 CarbonylContact C-O 3.53Å; Y359-K410 WeakPolarHBondContact CA-O 3.21Å; L360-K410 HydrophobicContact CB-CB 4.33Å; L360-K410 HydrophobicContact CD2-CD 4.46Å; L360-K410 PolarHBondContact N-O 2.93Å; L360-K410 PolarHBondContact O-N 2.93Å; K410-E422 IonicContact NZ-OE2 2.87Å; K410-E422 PolarHBondContact NZ-OE2 3.02Å; K410-S423 WeakPolarHBondContact CA-OG 3.39Å; K410-P425 HydrophobicContact CG-CB 3.81Å
411A95.3Very high87.7Confident0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-97.8143.916700000109.3P321 P324 P349 L356 Y359 S423P321-A411 HydrophobicContact CB-CB 4.21Å; P321-A411 HydrophobicContact CG-CB 4.18Å; P321-A411 WeakPolarHBondContact CG-O 3.41Å; P324-A411 HydrophobicContact CG-CB 4.09Å; P349-A411 HydrophobicContact CG-CB 3.68Å; L356-A411 HydrophobicContact CD2-CB 4.06Å; Y359-A411 HydrophobicContact CD1-CB 3.94Å; Y359-A411 HydrophobicContact CE1-CB 3.8Å; A411-S423 PolarHBondContact N-OG 3.29Å; A411-S423 WeakPolarHBondContact O-CB 3.29Å; A411-S423 PolarHBondContact O-N 2.67Å; A411-S423 PolarHBondContact O-OG 2.81Å
412T94.7Very high88.7Confident1 Ų137.8 Ų37.81%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-127.8139-179.9-53.60000109.9L356 T357 E358 N420 L421 E422L356-T412 WeakPolarHBondContact CA-O 3.4Å; T357-T412 PolarHBondContact N-O 3.36Å; T357-T412 PolarHBondContact OG1-O 3.37Å; T357-T412 VanDerWaalsContact OG1-O 3.07Å; E358-T412 HydrophobicContact CG-CG2 4.29Å; E358-T412 PolarHBondContact N-O 2.75Å; E358-T412 PolarHBondContact O-N 2.72Å; T412-N420 HydrophobicContact CG2-CB 3.83Å; T412-L421 WeakPolarHBondContact CA-O 3.44Å; T412-E422 HydrophobicContact CG2-CG 4.4Å
413S96.3Very high89.9Confident1 Ų134.9 Ų34.91%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-120.6154.5167.2-74.50000109.8L354 P355 N420 L421L354-S413 PolarHBondContact O-OG 2.83Å; P355-S413 WeakPolarHBondContact O-CB 3.44Å; P355-S413 PolarHBondContact O-OG 3.36Å; S413-N420 CarbonylContact O-C 3.59Å; S413-N420 WeakPolarHBondContact O-CA 3.29Å; S413-L421 PolarHBondContact N-O 3.32Å; S413-L421 PolarHBondContact O-N 3.11Å
414Y94.2Very high90.8Very high92 Ų9239.2 Ų39.236%0.36120%0.204SC..EExtended strand (participates in β ladder)trans-111.5130.7177.2-179.7-105.7000111H416 N420Y414-H416 HydrophobicContact CE1-CB 3.98Å; Y414-N420 WeakPolarHBondContact CD2-OD1 3.47Å
415W95.3Very high91.4Very high5 Ų539.2 Ų39.22%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-119111.5173.8-169.938.2000109.9C256 Q257 G286 P315 R317 P318 L354 G417 F418 G419 L421C256-W415 PolarHBondContact O-NE1 3.02Å; Q257-W415 HydrophobicContact CB-CH2 3.9Å; Q257-W415 HydrophobicContact CB-CZ2 3.74Å; Q257-W415 HydrophobicContact CB-CZ3 4.37Å; Q257-W415 HydrophobicContact CG-CH2 3.82Å; Q257-W415 HydrophobicContact CG-CZ2 4.08Å; Q257-W415 HydrophobicContact CG-CZ3 4.4Å; G286-W415 PolarHBondContact O-NE1 2.98Å; P315-W415 HydrophobicContact CG-CZ2 4.13Å; R317-W415 HydrophobicContact CB-CH2 4.37Å; R317-W415 HydrophobicContact CB-CZ3 4.37Å; R317-W415 HydrophobicContact CG-CH2 4.39Å; R317-W415 HydrophobicContact CG-CZ3 3.9Å; P318-W415 HydrophobicContact CG-CD2 3.9Å; P318-W415 HydrophobicContact CG-CE3 4.19Å; P318-W415 HydrophobicContact CG-CG 4.04Å; L354-W415 HydrophobicContact CD1-CB 3.7Å; L354-W415 HydrophobicContact CD1-CG 4.05Å; W415-G417 PolarHBondContact O-N 2.84Å; W415-F418 HydrophobicContact CB-CB 4.4Å; W415-F418 HydrophobicContact CD2-CB 4.02Å; W415-F418 HydrophobicContact CE3-CB 3.26Å; W415-F418 HydrophobicContact CE3-CD1 4.18Å; W415-F418 HydrophobicContact CE3-CD2 4.23Å; W415-F418 AromaticContact CE3-CG 3.64Å; W415-F418 HydrophobicContact CE3-CG 3.64Å; W415-F418 HydrophobicContact CZ3-CB 3.81Å; W415-F418 HydrophobicContact CZ3-CD2 4.15Å; W415-F418 HydrophobicContact CZ3-CG 4.02Å; W415-F418 PolarHBondContact O-N 2.69Å; W415-G419 PolarHBondContact N-O 3.39Å; W415-G419 PolarHBondContact O-N 2.93Å; W415-L421 HydrophobicContact CB-CD1 4.17Å
416H93.8Very high91.8Very high35 Ų3541 Ų4116%0.16221%0.213CC..BIsolated β-bridgetrans-61.5132.1-172.8179.789.1000111.6I255 C256 Q257 D260 Y263 Y414 F418I255-H416 WeakPolarHBondContact O-CB 3.48Å; I255-H416 PolarHBondContact O-N 2.81Å; I255-H416 VanDerWaalsContact O-N 3.15Å; C256-H416 HydrophobicContact CB-CB 4.19Å; Q257-H416 PolarHBondContact N-O 3Å; D260-H416 IonicContact OD2-CE1 3.61Å; D260-H416 IonicContact OD2-NE2 3.18Å; D260-H416 PolarHBondContact OD2-NE2 2.79Å; Y263-H416 AromaticContact CD1-ND1 3.92Å; Y263-H416 AromaticContact CD2-CE1 3.4Å; Y263-H416 VanDerWaalsContact CD2-CE1 3.4Å; Y263-H416 WeakPolarHBondContact CD2-CE1 3.34Å; Y263-H416 AromaticContact CD2-ND1 3.39Å; Y263-H416 WeakPolarHBondContact CD2-ND1 3.44Å; Y263-H416 AromaticContact CE1-ND1 3.81Å; Y263-H416 AromaticContact CE2-CE1 3.18Å; Y263-H416 WeakPolarHBondContact CE2-CE1 3.32Å; Y263-H416 AromaticContact CE2-ND1 3.29Å; Y263-H416 VanDerWaalsContact CE2-ND1 3.29Å; Y263-H416 WeakPolarHBondContact CE2-ND1 3.25Å; Y263-H416 AromaticContact CG-ND1 3.72Å; Y263-H416 AromaticContact CZ-CE1 3.79Å; Y263-H416 AromaticContact CZ-ND1 3.5Å; Y414-H416 HydrophobicContact CE1-CB 3.98Å; H416-F418 VanDerWaalsContact C-N 3.32Å
417G89.6Confident92Very high55 Ų5539.9 Ų39.957%0.56721%0.213SC*.THydrogen-bonded Turntrans91.9-27.3-174.200000114.3W415W415-G417 PolarHBondContact O-N 2.84Å
418F90.7Very high91.9Very high95 Ų9541.4 Ų41.442%0.41722%0.221SC..THydrogen-bonded Turntrans-100.6-45.9175.6-177.8-91.3000112.6W415 H416 L421W415-F418 HydrophobicContact CB-CB 4.4Å; W415-F418 HydrophobicContact CD2-CB 4.02Å; W415-F418 HydrophobicContact CE3-CB 3.26Å; W415-F418 HydrophobicContact CE3-CD1 4.18Å; W415-F418 HydrophobicContact CE3-CD2 4.23Å; W415-F418 AromaticContact CE3-CG 3.64Å; W415-F418 HydrophobicContact CE3-CG 3.64Å; W415-F418 HydrophobicContact CZ3-CB 3.81Å; W415-F418 HydrophobicContact CZ3-CD2 4.15Å; W415-F418 HydrophobicContact CZ3-CG 4.02Å; W415-F418 PolarHBondContact O-N 2.69Å; H416-F418 VanDerWaalsContact C-N 3.32Å; F418-L421 HydrophobicContact CD1-CD2 3.84Å; F418-L421 HydrophobicContact CD1-CG 4.44Å; F418-L421 HydrophobicContact CE1-CD2 3.47Å; F418-L421 VanDerWaalsContact CE1-CD2 3.47Å; F418-L421 HydrophobicContact CE1-CG 4.46Å; F418-L421 HydrophobicContact CZ-CD2 4.4Å
419G91.4Very high91.5Very high18 Ų1844.8 Ų44.819%0.18624%0.235CC..EExtended strand (participates in β ladder)trans115.3-154.2-17800000113.7W415W415-G419 PolarHBondContact N-O 3.39Å; W415-G419 PolarHBondContact O-N 2.93Å
420N92.2Very high90.7Very high89 Ų8945.3 Ų45.348%0.47624%0.237SC..EExtended strand (participates in β ladder)trans-77.5139.2-176.7-70.7-25.5000111.9T412 S413 Y414T412-N420 HydrophobicContact CG2-CB 3.83Å; S413-N420 CarbonylContact O-C 3.59Å; S413-N420 WeakPolarHBondContact O-CA 3.29Å; Y414-N420 WeakPolarHBondContact CD2-OD1 3.47Å
421L92.8Very high89.7Confident12 Ų1246.4 Ų46.46%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-113.8107.5173.2-62.9169.1000108.1P318 P320 P321 L354 T412 S413 W415 F418P318-L421 HydrophobicContact CB-CD1 4.46Å; P318-L421 HydrophobicContact CG-CD1 3.85Å; P320-L421 HydrophobicContact CB-CB 4.37Å; P321-L421 VanDerWaalsContact CD-O 3.29Å; P321-L421 WeakPolarHBondContact CD-O 3.49Å; L354-L421 HydrophobicContact CD1-CD1 4.05Å; T412-L421 WeakPolarHBondContact CA-O 3.44Å; S413-L421 PolarHBondContact N-O 3.32Å; S413-L421 PolarHBondContact O-N 3.11Å; W415-L421 HydrophobicContact CB-CD1 4.17Å; F418-L421 HydrophobicContact CD1-CD2 3.84Å; F418-L421 HydrophobicContact CD1-CG 4.44Å; F418-L421 HydrophobicContact CE1-CD2 3.47Å; F418-L421 VanDerWaalsContact CE1-CD2 3.47Å; F418-L421 HydrophobicContact CE1-CG 4.46Å; F418-L421 HydrophobicContact CZ-CD2 4.4Å
422E92.6Very high88.6Confident87 Ų8746.8 Ų46.841%0.40725%0.254SS..EExtended strand (participates in β ladder)trans-93.3137.9-180-63.4-173.6-17400111.7P320 K410 T412P320-E422 WeakPolarHBondContact CB-O 3.44Å; K410-E422 IonicContact NZ-OE2 2.87Å; K410-E422 PolarHBondContact NZ-OE2 3.02Å; T412-E422 HydrophobicContact CG2-CG 4.4Å
423S94.3Very high87.1Confident6 Ų653.2 Ų53.24%0.04228%0.284CS..PPolyproline II helixtrans-69.2165.6170.877.80000111.8P321 G322 K410 A411P321-S423 VanDerWaalsContact O-CA 3.31Å; P321-S423 WeakPolarHBondContact O-CA 3.46Å; P321-S423 WeakPolarHBondContact O-CB 3.18Å; G322-S423 WeakPolarHBondContact O-CB 3.4Å; K410-S423 WeakPolarHBondContact CA-OG 3.39Å; A411-S423 PolarHBondContact N-OG 3.29Å; A411-S423 WeakPolarHBondContact O-CB 3.29Å; A411-S423 PolarHBondContact O-N 2.67Å; A411-S423 PolarHBondContact O-OG 2.81Å
424Q89.5Confident85.2Confident119 Ų11957 Ų5756%0.55631%0.31SS*.PPolyproline II helixtrans-58.3145.7158-66.8-58.9-3300110.2P323P323-Q424 WeakPolarHBondContact CB-O 3.49Å
425P90Very high83Confident40 Ų4056.1 Ų56.126%0.2631%0.311SS..PPolyproline II helixtrans-76.5135.2-179.829-32.1000111.5Q408 K410Q408-P425 HydrophobicContact CB-CB 3.95Å; Q408-P425 HydrophobicContact CG-CB 4.45Å; K410-P425 HydrophobicContact CG-CB 3.81Å
426N89.2Confident80.5Confident43 Ų4363.7 Ų63.723%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-83.5117.6159.2-169.9-42.9000108.3P324 V327 Q408 V409P324-N426 WeakPolarHBondContact O-CB 3.32Å; P324-N426 PolarHBondContact O-ND2 2.9Å; V327-N426 HydrophobicContact CG2-CB 3.73Å; V327-N426 VanDerWaalsContact CG2-CG 3.42Å; Q408-N426 CarbonylContact C-O 3.51Å; Q408-N426 WeakPolarHBondContact CA-O 3.26Å; V409-N426 PolarHBondContact N-O 3.36Å; V409-N426 PolarHBondContact O-N 2.87Å
427T86.2Confident77.9Confident49 Ų4965.4 Ų65.430%0.30136%0.361SS..EExtended strand (participates in β ladder)trans-110.7127.6-172.5-55.50000110.6K406 I407 Q408 F429K406-T427 HydrophobicContact CD-CG2 4.47Å; K406-T427 HydrophobicContact CG-CG2 3.91Å; I407-T427 CarbonylContact O-C 3.57Å; I407-T427 VanDerWaalsContact O-CA 3.24Å; I407-T427 WeakPolarHBondContact O-CA 3.02Å; Q408-T427 HydrophobicContact CG-CG2 3.96Å; Q408-T427 PolarHBondContact NE2-OG1 3.37Å; T427-F429 HydrophobicContact CG2-CE2 3.93Å; T427-F429 HydrophobicContact CG2-CZ 4.11Å
428I84.3Confident75.2Confident33 Ų3367.3 Ų67.317%0.16937%0.371CS..EExtended strand (participates in β ladder)trans-123.7154.8169.865.6162.6000110.2V327 L344 I407 L430V327-I428 HydrophobicContact CB-CG2 4.12Å; V327-I428 HydrophobicContact CG1-CD1 3.91Å; V327-I428 HydrophobicContact CG1-CG1 4.11Å; V327-I428 HydrophobicContact CG1-CG2 4.17Å; L344-I428 HydrophobicContact CD1-CD1 3.77Å; I407-I428 HydrophobicContact CB-CG1 4.04Å; I407-I428 PolarHBondContact N-O 2.96Å; I407-I428 PolarHBondContact O-N 3.48Å; I428-L430 HydrophobicContact CD1-CD2 4.18Å
429F82.1Confident72.4Confident110 Ų11070.5 Ų70.548%0.48239%0.385SS..EExtended strand (participates in β ladder)trans-116.6133.7175.6-63.4-94.4000108.8D366 Y405 K406 T427D366-F429 WeakPolarHBondContact OD2-CD1 3.17Å; Y405-F429 WeakPolarHBondContact O-CA 3.18Å; K406-F429 HydrophobicContact CB-CD1 3.96Å; K406-F429 HydrophobicContact CB-CE1 3.75Å; K406-F429 HydrophobicContact CD-CE1 4Å; K406-F429 HydrophobicContact CD-CZ 4.25Å; K406-F429 HydrophobicContact CG-CD1 4.2Å; K406-F429 HydrophobicContact CG-CE1 3.65Å; K406-F429 HydrophobicContact CG-CZ 4.06Å; T427-F429 HydrophobicContact CG2-CE2 3.93Å; T427-F429 HydrophobicContact CG2-CZ 4.11Å
430L76.4Confident69.4Low10 Ų1077.9 Ų77.95%0.05241%0.414CS..EExtended strand (participates in β ladder)trans-137.4140-177.558.694.2000111.9W332 L342 L399 S404 Y405 I407 I428W332-L430 HydrophobicContact CH2-CB 4.29Å; W332-L430 HydrophobicContact CH2-CD1 3.86Å; W332-L430 HydrophobicContact CZ3-CD1 4.49Å; L342-L430 HydrophobicContact CD2-CD1 4Å; L342-L430 HydrophobicContact CD2-CD2 3.31Å; L342-L430 HydrophobicContact CD2-CG 4.28Å; L399-L430 HydrophobicContact CD1-CD1 4.44Å; S404-L430 CarbonylContact C-O 3.53Å; S404-L430 WeakPolarHBondContact CA-O 3.45Å; Y405-L430 HydrophobicContact CD2-CD1 4.11Å; Y405-L430 HydrophobicContact CG-CD1 4.33Å; Y405-L430 PolarHBondContact N-O 2.82Å; Y405-L430 PolarHBondContact O-N 3.49Å; I407-L430 HydrophobicContact CD1-CD1 4.25Å; I407-L430 HydrophobicContact CD1-CD2 3.2Å; I407-L430 HydrophobicContact CD1-CG 3.94Å; I407-L430 HydrophobicContact CG1-CD2 3.63Å; I407-L430 HydrophobicContact CG1-CG 4.1Å; I428-L430 HydrophobicContact CD1-CD2 4.18Å
431S72.9Confident66.5Low75 Ų7582.4 Ų82.452%0.52443%0.432SS..EExtended strand (participates in β ladder)trans-115.2119.3179.4-64.60000109.3S404S404-S431 PolarHBondContact OG-OG 3.38Å
432T71.6Confident63.4Low7 Ų789.7 Ų89.74%0.04347%0.466CS..PPolyproline II helixtrans-71.4142.9178.655.70000110.5W332 V340 L399 K400 P401 A402 T403 Y405W332-T432 HydrophobicContact CH2-CG2 4.43Å; W332-T432 HydrophobicContact CZ3-CG2 3.77Å; V340-T432 HydrophobicContact CB-CG2 4.23Å; V340-T432 HydrophobicContact CG1-CG2 4.27Å; V340-T432 HydrophobicContact CG2-CG2 4.37Å; L399-T432 HydrophobicContact CB-CG2 4.06Å; L399-T432 HydrophobicContact CD1-CG2 4.39Å; K400-T432 WeakPolarHBondContact O-CB 3.4Å; K400-T432 WeakPolarHBondContact O-CG2 3.36Å; K400-T432 PolarHBondContact O-OG1 3.16Å; P401-T432 WeakPolarHBondContact CA-OG1 3.43Å; A402-T432 VanDerWaalsContact CA-O 3.25Å; A402-T432 WeakPolarHBondContact CA-O 3.42Å; A402-T432 PolarHBondContact N-O 2.87Å; A402-T432 PolarHBondContact N-OG1 3.06Å; A402-T432 VanDerWaalsContact N-OG1 3.08Å; T403-T432 PolarHBondContact N-OG1 2.88Å; T403-T432 PolarHBondContact O-N 2.98Å; T403-T432 PolarHBondContact O-OG1 3.3Å; T403-T432 VanDerWaalsContact O-OG1 3.11Å; Y405-T432 HydrophobicContact CD2-CG2 4.26Å; Y405-T432 HydrophobicContact CE2-CG2 4.06Å
433Q64.4Low60.2Low137 Ų13793.2 Ų93.264%0.6449%0.486SS*.PPolyproline II helixtrans-65.4152.5178.5-65.6-174.9-0.700112.1A402A402-Q433 PolarHBondContact N-O 2.81Å; A402-Q433 VanDerWaalsContact N-O 3.15Å
434S55.8Low57Low80 Ų8099.6 Ų99.656%0.55952%0.524SS*.PPolyproline II helixtrans-80.6127.8170.3-176.70000110.1H436S434-H436 PolarHBondContact O-N 2.55Å
435I48.3Very low54Low74 Ų7498.3 Ų98.338%0.37953%0.529SS..  trans-87.882.9173.5-58.2161.5000106.8L334 G338 P401L334-I435 HydrophobicContact CD2-CD1 4.14Å; L334-I435 HydrophobicContact CD2-CG1 4.16Å; G338-I435 VanDerWaalsContact CA-CD1 3.48Å; G338-I435 WeakPolarHBondContact O-CD1 3.33Å; P401-I435 HydrophobicContact CB-CD1 4.28Å
436H42Very low51Low163 Ų163102 Ų10276%0.75555%0.553SS**  trans-71130.4170.6-132.9-74.6000108.7S434 A438S434-H436 PolarHBondContact O-N 2.55Å; H436-A438 PolarHBondContact O-N 2.85Å
437P39.7Very low48.1Very low72 Ų72105.7 Ų105.747%0.46858%0.577SS.*  trans-75.2102.6-173.528.2-33.2000110.9F439P437-F439 HydrophobicContact CB-CB 4.21Å; P437-F439 PolarHBondContact O-N 3.08Å; P437-F439 VanDerWaalsContact O-N 3.17Å
438A33.3Very low45.2Very low94 Ų94110.6 Ų110.678%0.77760%0.596SS**G310 helixtrans-65.74.8148.400000112.1H436H436-A438 PolarHBondContact O-N 2.85Å
439F30.9Very low42.5Very low163 Ų163116.6 Ų116.672%0.71563%0.627SS**G310 helixtrans-88.9-0.8-172-96.2-83.4000115.7P437 Q441P437-F439 HydrophobicContact CB-CB 4.21Å; P437-F439 PolarHBondContact O-N 3.08Å; P437-F439 VanDerWaalsContact O-N 3.17Å; F439-Q441 VanDerWaalsContact C-N 3.35Å; F439-Q441 PolarHBondContact O-N 2.99Å
440H29.6Very low39.7Very low173 Ų173120.9 Ų120.980%0.80164%0.641SS**G310 helixtrans-86.89.5176.3-89.4-61.6000115.6
441Q31Very low37.2Very low183 Ų183124.3 Ų124.386%0.85567%0.671SS**G310 helixtrans-125.414.3-179.7-68.8-170.2-10.700116.3F439F439-Q441 VanDerWaalsContact C-N 3.35Å; F439-Q441 PolarHBondContact O-N 2.99Å
442Q27Very low35Very low166 Ų166127.1 Ų127.178%0.77669%0.685SS**  trans-117.660.3179.1-73.5-170.3-15.200113.8
443I26.4Very low32.8Very low161 Ų161132.2 Ų132.283%0.82672%0.718SS**  trans-140130149-53.4179000106.8
444V26.9Very low31Very low139 Ų139132.8 Ų132.884%0.84273%0.726SS**SBendtrans110102.8173.1-170.60000115.3
445S25.7Very low29.6Very low93 Ų93135 Ų13565%0.6574%0.736SS**  trans89107.7144.3-167.90000119.6
446P26.7Very low28.6Very low117 Ų117139.6 Ų139.676%0.7676%0.76SS**  trans-89.7126.6169.233.3-26.2000111.2
447V29.2Very low27.7Very low121 Ų121141.2 Ų141.273%0.73376%0.764SS**  trans-131.186.1164.5-179.70000105.8
448Q25.6Very low26.9Very low152 Ų152145.8 Ų145.871%0.7178%0.784SS**  36.1109.2101.4-74.3-171.7-16.700112.9
449I26.4Very low26.6Very low159 Ų159147 Ų14782%0.81578%0.784SS**  -171.7146.4124.8-86.4145.1000109.1
450Y24.1Very low26.3Very low200 Ų200147.6 Ų147.678%0.78479%0.787SS**  trans-79179.1-162.8-66-97.8000115.4
451A25.1Very low26Very low82 Ų82147.5 Ų147.568%0.67879%0.786SS**  trans100.282.1153.400000114.6
452T25.8Very low25.6Very low133 Ų133148.8 Ų148.882%0.81679%0.79SS**  75.2133.786.356.70000115.6
453P25.6Very low25.4Very low114 Ų114147.2 Ų147.274%0.7479%0.791SS**  trans-109.7122.2-157.231.3-12.9000112
454N26.9Very low25.3Very low150 Ų150146.9 Ų146.980%0.80279%0.79SS**  trans-118.493.6171.3-80.3-10.2000111.3
455T25.5Very low25.3Very low125 Ų125149.5 Ų149.577%0.76779%0.791SS**  trans329513054.80000117.8
456I28Very low25.4Very low172 Ų172149.3 Ų149.388%0.88279%0.789SS**  trans-130.8126.5147.6-58.7-178.9000109.1
457K23.5Very low25.4Very low196 Ų196154.5 Ų154.585%0.85280%0.8SS**PPolyproline II helixtrans-71.8133.7-172.9-70.8172174.8176.10111.1P459K457-P459 WeakPolarHBondContact O-CD 3.27Å
458L22.1Very low25.4Very low168 Ų168152.3 Ų152.388%0.8879%0.79SS**PPolyproline II helixtrans-49.1118.7172.4-164.678.3000113
459P27.3Very low25.8Very low121 Ų121151.7 Ų151.779%0.78680%0.802SS**PPolyproline II helixtrans-77.8138.2162.3-9.126.9000110.1K457K457-P459 WeakPolarHBondContact O-CD 3.27Å
460K24.4Very low26.8Very low175 Ų175149.3 Ų149.376%0.76179%0.791SS**PPolyproline II helixtrans-66145.7-173.4-66.9172172.9-179.20113.3
461E22.8Very low28.3Very low171 Ų171142.8 Ų142.880%0.79977%0.774SS**  trans51.987.9141.4-68.8169.9140.800116.9
462F23.8Very low29.8Very low210 Ų210143.8 Ų143.892%0.92177%0.768SS**  trans-118.9108.3147.8-89.8-87.5000109.7L464F462-L464 PolarHBondContact O-N 3.02Å; F462-L464 VanDerWaalsContact O-N 3.1Å
463T22.3Very low31.5Very low133 Ų133138.6 Ų138.682%0.81674%0.737SS**  trans-68.491.5177.73.90000109.7K465T463-K465 PolarHBondContact O-N 3.43Å; T463-K465 VanDerWaalsContact O-N 3.16Å
464L24.6Very low32.8Very low153 Ų153135.9 Ų135.980%0.80173%0.73SS**  trans-83.591175.9-16672.3000110.4F462F462-L464 PolarHBondContact O-N 3.02Å; F462-L464 VanDerWaalsContact O-N 3.1Å
465K25.4Very low33.9Very low195 Ų195136.5 Ų136.585%0.84873%0.733SS**  trans-84.8106.2162.7-72.2-178.2178.5-179.70109T463T463-K465 PolarHBondContact O-N 3.43Å; T463-K465 VanDerWaalsContact O-N 3.16Å
466S28.4Very low34.7Very low89 Ų89132.4 Ų132.462%0.62272%0.716SS**  trans-175.3110.4140.850.70000111S468S466-S468 PolarHBondContact O-N 2.85Å
467K26.3Very low35.5Very low225 Ų225130.9 Ų130.998%0.97872%0.717SS**  trans-66.699.8154.8-71.2176.5174.5-179.10107.1
468S29.4Very low37Very low75 Ų75124.8 Ų124.852%0.52469%0.692SS.*  trans-133.8116157.166.40000108.3S466 D470S466-S468 PolarHBondContact O-N 2.85Å; S468-D470 PolarHBondContact O-N 2.85Å; S468-D470 PolarHBondContact OG-O 2.8Å
469S35.2Very low38.8Very low140 Ų140118.1 Ų118.198%0.97966%0.658SS**SBendtrans-67.617.4159.751.70000112.1
470D46.4Very low40.7Very low108 Ų108112.9 Ų112.958%0.57862%0.624SS**SBendtrans-124113.4-179.4-161.48.9000106.7S468 D472S468-D470 PolarHBondContact O-N 2.85Å; S468-D470 PolarHBondContact OG-O 2.8Å; D470-D472 PolarHBondContact O-N 3.19Å
471C55.8Low42.9Very low63 Ų63107.2 Ų107.243%0.42660%0.603SS.*  trans-80.772.3-179.6-166.90000107.5C592C471-C592 HydrophobicContact CB-CB 3.79Å; C471-C592 WeakPolarHBondContact CB-SG 3.47Å; C471-C592 PolarHBondContact O-SG 2.91Å; C471-C592 WeakPolarHBondContact SG-CB 3.45Å; C471-C592 CovalentContact SG-SG 2.01Å; C471-C592 PolarHBondContact SG-SG 2.96Å
472D57Low45.3Very low104 Ų104102.2 Ų102.256%0.55658%0.582SS**  trans-94.5122-177.2-160.18.5000110.7D470 G474D470-D472 PolarHBondContact O-N 3.19Å; D472-G474 PolarHBondContact O-N 3.46Å
473C61.4Low47.7Very low24 Ų2498 Ų9816%0.16256%0.563CS.*  trans-89.396.2171.9-91.40000107N475 H551 C590C473-N475 PolarHBondContact O-N 3.44Å; C473-H551 PolarHBondContact SG-NE2 3.42Å; C473-C590 WeakPolarHBondContact CA-SG 3.35Å; C473-C590 HydrophobicContact CB-CB 4.45Å; C473-C590 WeakPolarHBondContact CB-SG 3.19Å; C473-C590 WeakPolarHBondContact SG-CB 3.39Å; C473-C590 PolarHBondContact SG-O 3.21Å; C473-C590 CovalentContact SG-SG 2.04Å; C473-C590 PolarHBondContact SG-SG 3.13Å
474G53.6Low50.2Low57 Ų5798.2 Ų98.259%0.58855%0.553SS**  trans-39132.9-175.400000113.2D472 G476D472-G474 PolarHBondContact O-N 3.46Å; G474-G476 PolarHBondContact O-N 2.94Å
475N48.3Very low52.7Low162 Ų16292.2 Ų92.287%0.86652%0.521SS*.  trans-61.973.1-171.6-71.3-53000113.3C473C473-N475 PolarHBondContact O-N 3.44Å
476G42.9Very low55.2Low39 Ų3984.6 Ų84.640%0.40249%0.488SS..  trans-86.9154.2165.800000110.9G474 Q478G474-G476 PolarHBondContact O-N 2.94Å; G476-Q478 VanDerWaalsContact C-N 3.32Å; G476-Q478 WeakPolarHBondContact O-CG 3.39Å; G476-Q478 PolarHBondContact O-N 2.98Å
477P44.7Very low57.3Low141 Ų14181.8 Ų81.892%0.91646%0.464SS*.  trans-6691.2169.627.3-32.2000109.3P479P477-P479 WeakPolarHBondContact O-CD 3.41Å
478Q54.7Low59.5Low68 Ų6873.4 Ų73.432%0.31843%0.429SS..  trans-96116-172.7-71.8174.32100110.5G476 L480G476-Q478 VanDerWaalsContact C-N 3.32Å; G476-Q478 WeakPolarHBondContact O-CG 3.39Å; G476-Q478 PolarHBondContact O-N 2.98Å; Q478-L480 PolarHBondContact O-N 3.01Å
479P60.6Low61.5Low27 Ų2776.1 Ų76.118%0.17544%0.437CS..SBendtrans-70.8-2.9169.525.3-26.2000112.6P477 N499 Y587P477-P479 WeakPolarHBondContact O-CD 3.41Å; P479-N499 PolarHBondContact O-N 3.34Å; P479-Y587 HydrophobicContact CB-CD1 4.42Å; P479-Y587 HydrophobicContact CB-CE1 4.4Å; P479-Y587 HydrophobicContact CG-CD1 3.21Å; P479-Y587 HydrophobicContact CG-CD2 4.13Å; P479-Y587 HydrophobicContact CG-CE1 3.56Å; P479-Y587 HydrophobicContact CG-CE2 4.42Å; P479-Y587 HydrophobicContact CG-CG 3.49Å; P479-Y587 VanDerWaalsContact CG-CG 3.49Å
480L67.4Low63.1Low12 Ų1275.8 Ų75.86%0.06342%0.42CS..EExtended strand (participates in β ladder)trans-97.9112.9-179.1-57.3173.1000108.1Q478 L496 I498 V554 V556Q478-L480 PolarHBondContact O-N 3.01Å; L480-L496 HydrophobicContact CB-CD1 4.2Å; L480-L496 HydrophobicContact CD2-CD2 4.14Å; L480-I498 HydrophobicContact CD2-CB 4.35Å; L480-I498 HydrophobicContact CD2-CD1 4.32Å; L480-I498 HydrophobicContact CD2-CG1 3.88Å; L480-I498 HydrophobicContact CD2-CG2 3.9Å; L480-V554 HydrophobicContact CD1-CB 4.41Å; L480-V554 HydrophobicContact CD1-CG1 4.2Å; L480-V556 HydrophobicContact CD1-CG2 4.18Å; L480-V556 HydrophobicContact CD2-CB 4.43Å; L480-V556 HydrophobicContact CD2-CG2 3.54Å; L480-V556 HydrophobicContact CG-CG2 4.5Å
481V70.1Confident64.5Low55 Ų5575.1 Ų75.133%0.33341%0.412SS..EExtended strand (participates in β ladder)trans-110.8109.1179.6-178.50000108.6K483 Q497V481-K483 PolarHBondContact O-N 3.48Å; V481-Q497 HydrophobicContact CB-CB 4.36Å; V481-Q497 PolarHBondContact N-O 2.81Å; V481-Q497 PolarHBondContact O-N 2.99Å
482L73.3Confident65.6Low66 Ų6672.2 Ų72.235%0.34639%0.392SS..EExtended strand (participates in β ladder)trans-70.2118.9171.2-179.670.4000109.2I485 A494 L496 F591L482-I485 HydrophobicContact CD1-CG1 4.15Å; L482-I485 HydrophobicContact CD2-CD1 3.81Å; L482-I485 HydrophobicContact CD2-CG1 4.05Å; L482-A494 HydrophobicContact CD1-CB 3.91Å; L482-L496 HydrophobicContact CB-CD1 4.49Å; L482-F591 HydrophobicContact CD1-CD2 4.41Å; L482-F591 HydrophobicContact CD1-CG 4.47Å; L482-F591 HydrophobicContact CD2-CB 3.89Å; L482-F591 HydrophobicContact CD2-CD2 4.2Å; L482-F591 HydrophobicContact CD2-CG 4.31Å
483K73.8Confident66.8Low123 Ų12368.4 Ų68.454%0.53537%0.371SS..EExtended strand (participates in β ladder)trans-85.5-53.4-179.2-76.6-70-175.5-179.60112.8V481 I495 Q497V481-K483 PolarHBondContact O-N 3.48Å; K483-I495 HydrophobicContact CB-CB 4.11Å; K483-I495 HydrophobicContact CB-CG2 4.07Å; K483-I495 HydrophobicContact CG-CG2 4.47Å; K483-I495 PolarHBondContact N-O 3.36Å; K483-Q497 HydrophobicContact CG-CB 4.22Å
484K74.6Confident67.9Low137 Ų13767.3 Ų67.360%0.59636%0.363SS*.EExtended strand (participates in β ladder)trans-161.6148.9-176.8-178.1171.5179-179.80110.5I495K484-I495 PolarHBondContact O-N 3.45Å
485I78.2Confident69.2Low27 Ų2766.7 Ų66.714%0.13835%0.346CS..EExtended strand (participates in β ladder)trans-110.1136.1167.1-61.3172.8000108.1L482 L492 K493 A494 F591 C592 T593 P594L482-I485 HydrophobicContact CD1-CG1 4.15Å; L482-I485 HydrophobicContact CD2-CD1 3.81Å; L482-I485 HydrophobicContact CD2-CG1 4.05Å; I485-L492 HydrophobicContact CG2-CD1 3.69Å; I485-L492 HydrophobicContact CG2-CD2 4.26Å; I485-L492 HydrophobicContact CG2-CG 3.96Å; I485-K493 WeakPolarHBondContact CA-O 3.39Å; I485-A494 HydrophobicContact CG1-CB 3.97Å; I485-F591 HydrophobicContact CD1-CD2 4.11Å; I485-F591 HydrophobicContact CD1-CE2 4.4Å; I485-C592 WeakPolarHBondContact CD1-O 3.21Å; I485-T593 HydrophobicContact CD1-CG2 4.31Å; I485-P594 HydrophobicContact CG2-CG 4.2Å
486F76.7Confident70.7Confident34 Ų3459.2 Ų59.215%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-148.2156.9-174.266.3-78.6000111.3E488 K493 I495 I542F486-E488 HydrophobicContact CD2-CB 3.95Å; F486-E488 HydrophobicContact CE2-CB 3.91Å; F486-K493 HydrophobicContact CD1-CB 4.24Å; F486-K493 WeakPolarHBondContact CD1-O 3.47Å; F486-K493 HydrophobicContact CD2-CB 4.43Å; F486-K493 HydrophobicContact CE1-CB 3.68Å; F486-K493 HydrophobicContact CE2-CB 3.94Å; F486-K493 HydrophobicContact CE2-CD 3.97Å; F486-K493 HydrophobicContact CE2-CG 4.4Å; F486-K493 HydrophobicContact CZ-CB 3.54Å; F486-K493 HydrophobicContact CZ-CD 3.91Å; F486-K493 HydrophobicContact CZ-CG 4.31Å; F486-K493 PolarHBondContact N-O 2.93Å; F486-K493 PolarHBondContact O-N 3.04Å; F486-K493 VanDerWaalsContact O-O 3.14Å; F486-I495 HydrophobicContact CD1-CD1 4.31Å; F486-I495 HydrophobicContact CD1-CG1 4.05Å; F486-I495 HydrophobicContact CE1-CD1 3.88Å; F486-I495 HydrophobicContact CE1-CG1 3.47Å; F486-I495 VanDerWaalsContact CE1-CG1 3.47Å; F486-I495 HydrophobicContact CZ-CG1 4.44Å; F486-I542 HydrophobicContact CZ-CG2 4.24Å
487Y73.7Confident72.4Confident30 Ų3059.2 Ų59.212%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-112.2120179-169.9-104.5000109.6H490 L492 F548 N601 P607Y487-H490 VanDerWaalsContact CZ-C 3.47Å; Y487-H490 VanDerWaalsContact CZ-CA 3.48Å; Y487-H490 VanDerWaalsContact OH-CA 3.25Å; Y487-H490 WeakPolarHBondContact OH-CA 3.44Å; Y487-H490 PolarHBondContact OH-O 2.92Å; Y487-L492 HydrophobicContact CD2-CB 4.26Å; Y487-L492 HydrophobicContact CD2-CD1 4.35Å; Y487-F548 HydrophobicContact CD2-CE1 4.43Å; Y487-F548 HydrophobicContact CD2-CE2 4.43Å; Y487-F548 AromaticContact CD2-CZ 3.63Å; Y487-F548 HydrophobicContact CD2-CZ 3.63Å; Y487-F548 HydrophobicContact CE2-CE2 4.15Å; Y487-F548 AromaticContact CE2-CZ 3.76Å; Y487-F548 HydrophobicContact CE2-CZ 3.76Å; Y487-F548 HydrophobicContact CG-CZ 4.42Å; Y487-N601 HydrophobicContact CD1-CB 4.38Å; Y487-P607 HydrophobicContact CD1-CB 4.11Å; Y487-P607 HydrophobicContact CD1-CG 3.96Å; Y487-P607 HydrophobicContact CD2-CG 4.42Å; Y487-P607 HydrophobicContact CE1-CB 3.69Å; Y487-P607 HydrophobicContact CE1-CG 4.07Å; Y487-P607 HydrophobicContact CE2-CB 4.29Å; Y487-P607 HydrophobicContact CG-CG 4.12Å
488E72.7Confident73.8Confident50 Ų5052.6 Ų52.623%0.23425%0.252CS..EExtended strand (participates in β ladder)trans-146.2136.5-177.2-173175.7-119.100109.7F486 H490 K491 K602F486-E488 HydrophobicContact CD2-CB 3.95Å; F486-E488 HydrophobicContact CE2-CB 3.91Å; E488-H490 PolarHBondContact O-N 2.81Å; E488-K491 PolarHBondContact N-O 2.87Å; E488-K491 PolarHBondContact O-N 2.81Å; E488-K491 VanDerWaalsContact O-O 3.06Å; E488-K602 WeakPolarHBondContact OE1-CE 3.26Å; E488-K602 IonicContact OE1-NZ 2.68Å; E488-K602 PolarHBondContact OE1-NZ 3.26Å
489N69.7Low74.6Confident131 Ų13153 Ų5370%0.70126%0.257SS*.THydrogen-bonded Turntrans52.448.1-179.4-58.8-3.9000113.5K491N489-K491 PolarHBondContact O-N 2.8Å; N489-K491 VanDerWaalsContact O-N 3.11Å
490H68.7Low74.7Confident133 Ų13353.5 Ų53.562%0.61626%0.257SS*.THydrogen-bonded Turntrans5916.2-176.8-53.5-74.9000115.7Y487 E488 D608Y487-H490 VanDerWaalsContact CZ-C 3.47Å; Y487-H490 VanDerWaalsContact CZ-CA 3.48Å; Y487-H490 VanDerWaalsContact OH-CA 3.25Å; Y487-H490 WeakPolarHBondContact OH-CA 3.44Å; Y487-H490 PolarHBondContact OH-O 2.92Å; E488-H490 PolarHBondContact O-N 2.81Å; H490-D608 IonicContact CE1-OD2 2.69Å; H490-D608 PolarHBondContact CE1-OD2 3.02Å; H490-D608 IonicContact ND1-OD2 3.78Å
491K76.7Confident74.4Confident94 Ų9459.4 Ų59.441%0.40929%0.294SS..EExtended strand (participates in β ladder)trans-125.8138.4179.6-66.3-172.5179.3-165.90111.3E488 N489 N545E488-K491 PolarHBondContact N-O 2.87Å; E488-K491 PolarHBondContact O-N 2.81Å; E488-K491 VanDerWaalsContact O-O 3.06Å; N489-K491 PolarHBondContact O-N 2.8Å; N489-K491 VanDerWaalsContact O-N 3.11Å; K491-N545 PolarHBondContact NZ-OD1 3.02Å
492L78.4Confident73.9Confident3 Ų358.7 Ų58.72%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-80.3129.8169.4-168.771.3000109.4I485 Y487 L546 H547 F548 T593 V599I485-L492 HydrophobicContact CG2-CD1 3.69Å; I485-L492 HydrophobicContact CG2-CD2 4.26Å; I485-L492 HydrophobicContact CG2-CG 3.96Å; Y487-L492 HydrophobicContact CD2-CB 4.26Å; Y487-L492 HydrophobicContact CD2-CD1 4.35Å; L492-L546 HydrophobicContact CB-CB 4.04Å; L492-L546 WeakPolarHBondContact CB-O 3.23Å; L492-L546 HydrophobicContact CD2-CB 3.94Å; L492-L546 HydrophobicContact CG-CB 4.1Å; L492-L546 PolarHBondContact O-N 2.81Å; L492-H547 WeakPolarHBondContact CD2-O 3.1Å; L492-F548 HydrophobicContact CD1-CD1 4.2Å; L492-F548 HydrophobicContact CD1-CE1 3.65Å; L492-F548 HydrophobicContact CD1-CZ 4.22Å; L492-F548 HydrophobicContact CD2-CD1 4.02Å; L492-F548 HydrophobicContact CD2-CE1 4.24Å; L492-F548 HydrophobicContact CD2-CG 4.46Å; L492-F548 HydrophobicContact CG-CE1 4.42Å; L492-T593 HydrophobicContact CD2-CG2 3.91Å; L492-V599 HydrophobicContact CD1-CG1 4.2Å; L492-V599 HydrophobicContact CD1-CG2 4.16Å
493K82.4Confident73Confident24 Ų2466 Ų6610%0.10432%0.317CS..EExtended strand (participates in β ladder)trans-130.1150-177.4-56.2-171.7-173.2-167.10111.1I485 F486 I542 L543 E544I485-K493 WeakPolarHBondContact CA-O 3.39Å; F486-K493 HydrophobicContact CD1-CB 4.24Å; F486-K493 WeakPolarHBondContact CD1-O 3.47Å; F486-K493 HydrophobicContact CD2-CB 4.43Å; F486-K493 HydrophobicContact CE1-CB 3.68Å; F486-K493 HydrophobicContact CE2-CB 3.94Å; F486-K493 HydrophobicContact CE2-CD 3.97Å; F486-K493 HydrophobicContact CE2-CG 4.4Å; F486-K493 HydrophobicContact CZ-CB 3.54Å; F486-K493 HydrophobicContact CZ-CD 3.91Å; F486-K493 HydrophobicContact CZ-CG 4.31Å; F486-K493 PolarHBondContact N-O 2.93Å; F486-K493 PolarHBondContact O-N 3.04Å; F486-K493 VanDerWaalsContact O-O 3.14Å; K493-I542 HydrophobicContact CB-CG2 4.04Å; K493-I542 HydrophobicContact CD-CG2 4.07Å; K493-L543 CarbonylContact C-O 3.51Å; K493-L543 WeakPolarHBondContact CA-O 2.98Å; K493-E544 HydrophobicContact CD-CG 4.02Å; K493-E544 WeakPolarHBondContact CD-OE1 3.36Å; K493-E544 WeakPolarHBondContact CE-OE1 3.47Å; K493-E544 HydrophobicContact CG-CG 4.08Å; K493-E544 IonicContact NZ-OE1 3.34Å; K493-E544 PolarHBondContact NZ-OE1 2.69Å
494A84.2Confident72.4Confident0 Ų063.9 Ų63.90%031%0.314CS..EExtended strand (participates in β ladder)trans-127.4136.5177.400000111L482 I485 I542 L543 L546 F591L482-A494 HydrophobicContact CD1-CB 3.91Å; I485-A494 HydrophobicContact CG1-CB 3.97Å; A494-I542 CarbonylContact O-C 3.55Å; A494-I542 WeakPolarHBondContact O-CA 3.38Å; A494-L543 HydrophobicContact CB-CB 4.3Å; A494-L543 PolarHBondContact N-O 3.44Å; A494-L543 PolarHBondContact O-N 3.3Å; A494-L546 HydrophobicContact CB-CD1 3.47Å; A494-L546 VanDerWaalsContact CB-CD1 3.47Å; A494-F591 HydrophobicContact CB-CE2 4.12Å; A494-F591 HydrophobicContact CB-CZ 4.3Å
495I80.5Confident72Confident45 Ų4562.9 Ų62.923%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-95.7113.7175.1-52.5-175.5000108.3K483 K484 F486 I540K483-I495 HydrophobicContact CB-CB 4.11Å; K483-I495 HydrophobicContact CB-CG2 4.07Å; K483-I495 HydrophobicContact CG-CG2 4.47Å; K483-I495 PolarHBondContact N-O 3.36Å; K484-I495 PolarHBondContact O-N 3.45Å; F486-I495 HydrophobicContact CD1-CD1 4.31Å; F486-I495 HydrophobicContact CD1-CG1 4.05Å; F486-I495 HydrophobicContact CE1-CD1 3.88Å; F486-I495 HydrophobicContact CE1-CG1 3.47Å; F486-I495 VanDerWaalsContact CE1-CG1 3.47Å; F486-I495 HydrophobicContact CZ-CG1 4.44Å; I495-I540 HydrophobicContact CG2-CG2 3.35Å
496L79.9Confident71.5Confident5 Ų561.7 Ų61.73%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-108.8123.5178.1-170.673.4000109.8L480 L482 I498 I540 V541 L543 V554L480-L496 HydrophobicContact CB-CD1 4.2Å; L480-L496 HydrophobicContact CD2-CD2 4.14Å; L482-L496 HydrophobicContact CB-CD1 4.49Å; L496-I498 HydrophobicContact CD2-CG1 4.47Å; L496-I540 WeakPolarHBondContact O-CA 3.48Å; L496-V541 HydrophobicContact CB-CG1 3.73Å; L496-V541 HydrophobicContact CD2-CG1 4.24Å; L496-V541 HydrophobicContact CG-CG1 4.43Å; L496-V541 PolarHBondContact N-O 3.34Å; L496-V541 PolarHBondContact O-N 2.84Å; L496-L543 HydrophobicContact CB-CD1 4.33Å; L496-L543 HydrophobicContact CB-CG 4.4Å; L496-L543 HydrophobicContact CD2-CD1 4.32Å; L496-V554 HydrophobicContact CD2-CG1 3.95Å
497Q79.7Confident71.2Confident39 Ų3960 Ų6018%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-96.9130.4171.6178.8178.2-22.700109.6V481 K483 N499 K539 I540V481-Q497 HydrophobicContact CB-CB 4.36Å; V481-Q497 PolarHBondContact N-O 2.81Å; V481-Q497 PolarHBondContact O-N 2.99Å; K483-Q497 HydrophobicContact CG-CB 4.22Å; Q497-N499 PolarHBondContact NE2-OD1 3.34Å; Q497-K539 CarbonylContact C-O 3.57Å; Q497-K539 VanDerWaalsContact CA-O 3.31Å; Q497-K539 WeakPolarHBondContact CA-O 3.19Å; Q497-I540 HydrophobicContact CB-CG1 4.39Å; Q497-I540 HydrophobicContact CG-CG1 4.38Å
498I74.3Confident71.4Confident1 Ų158.6 Ų58.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-111.6111.1-178.9-48.1-179.5000108.5L480 L496 M500 I510 L534 K539 V541 V556L480-I498 HydrophobicContact CD2-CB 4.35Å; L480-I498 HydrophobicContact CD2-CD1 4.32Å; L480-I498 HydrophobicContact CD2-CG1 3.88Å; L480-I498 HydrophobicContact CD2-CG2 3.9Å; L496-I498 HydrophobicContact CD2-CG1 4.47Å; I498-M500 HydrophobicContact CG2-CE 4.28Å; I498-M500 HydrophobicContact CG2-CG 3.6Å; I498-M500 HydrophobicContact CG2-SD 4.1Å; I498-M500 PolarHBondContact O-N 3.17Å; I498-I510 HydrophobicContact CD1-CD1 3.39Å; I498-I510 HydrophobicContact CD1-CG1 3.65Å; I498-L534 HydrophobicContact CD1-CD2 4Å; I498-K539 PolarHBondContact N-O 3.04Å; I498-V541 HydrophobicContact CD1-CG1 4.36Å; I498-V556 HydrophobicContact CD1-CG1 4.25Å; I498-V556 HydrophobicContact CD1-CG2 4.19Å
499N70.4Confident71.8Confident77 Ų7756.9 Ų56.941%0.41229%0.285SS..  trans-90.984.8177.3-71.4-19.9000109.9P479 Q497P479-N499 PolarHBondContact O-N 3.34Å; Q497-N499 PolarHBondContact NE2-OD1 3.34Å
500M63.7Low72.3Confident37 Ų3750.6 Ų50.618%0.18225%0.251CS..  trans-88.8131.6175-61.6177.9-76.300110.7I498 I502 A508 V558 Y587I498-M500 HydrophobicContact CG2-CE 4.28Å; I498-M500 HydrophobicContact CG2-CG 3.6Å; I498-M500 HydrophobicContact CG2-SD 4.1Å; I498-M500 PolarHBondContact O-N 3.17Å; M500-I502 VanDerWaalsContact C-N 3.27Å; M500-I502 HydrophobicContact CB-CD1 4.3Å; M500-I502 HydrophobicContact CB-CG1 4.45Å; M500-I502 PolarHBondContact O-N 2.95Å; M500-A508 HydrophobicContact CE-CB 4.32Å; M500-A508 HydrophobicContact SD-CB 4.06Å; M500-V558 HydrophobicContact CG-CG2 4.49Å; M500-V558 HydrophobicContact SD-CG1 4.07Å; M500-V558 HydrophobicContact SD-CG2 3.59Å; M500-V558 VanDerWaalsContact SD-CG2 3.59Å; M500-Y587 HydrophobicContact CG-CE2 4.44Å
501T60.6Low73Confident136 Ų13645.9 Ų45.983%0.83423%0.23SC*.  trans-9135.4173.722.10000112.3
502I60.6Low73.3Confident41 Ų4142.1 Ų42.121%0.2121%0.213CC..  trans-98.9120.9-175.3-58.7164.5000109.1M500 T504 V558 I585M500-I502 VanDerWaalsContact C-N 3.27Å; M500-I502 HydrophobicContact CB-CD1 4.3Å; M500-I502 HydrophobicContact CB-CG1 4.45Å; M500-I502 PolarHBondContact O-N 2.95Å; I502-T504 VanDerWaalsContact C-N 3.33Å; I502-T504 WeakPolarHBondContact CG2-OG1 3.49Å; I502-V558 HydrophobicContact CD1-CB 3.87Å; I502-V558 HydrophobicContact CD1-CG1 3.31Å; I502-V558 HydrophobicContact CD1-CG2 4.23Å; I502-I585 HydrophobicContact CD1-CD1 4.37Å
503K54.5Low73.3Confident219 Ų21944.7 Ų44.795%0.95222%0.223SC*.  trans-77.7-16.5-177.6-67.6-175.6178.5-179.50113.7
504T60.8Low73.1Confident79 Ų7945.3 Ų45.349%0.48523%0.227SC..SBendtrans-99.9154.4-177.5520000112I502 S506I502-T504 VanDerWaalsContact C-N 3.33Å; I502-T504 WeakPolarHBondContact CG2-OG1 3.49Å; T504-S506 PolarHBondContact O-N 3.22Å; T504-S506 PolarHBondContact O-OG 3.43Å
505E66.2Low72.4Confident116 Ų11650.3 Ų50.354%0.54225%0.25SS..  trans-62110171.4-67.2-159.9153.500109.6T562E505-T562 HydrophobicContact CB-CG2 3.87Å
506S66.4Low71.8Confident1 Ų151.9 Ų51.91%0.00726%0.262CS..  trans-119.9155.7-176.936.80000110.7T504 S536 Y559T504-S506 PolarHBondContact O-N 3.22Å; T504-S506 PolarHBondContact O-OG 3.43Å; S506-S536 WeakPolarHBondContact O-CA 3.46Å; S506-S536 WeakPolarHBondContact O-CB 3.29Å; S506-S536 PolarHBondContact O-N 3.48Å; S506-S536 WeakPolarHBondContact OG-CB 3.45Å; S506-S536 PolarHBondContact OG-OG 3.21Å; S506-Y559 WeakPolarHBondContact CA-O 3.18Å; S506-Y559 WeakPolarHBondContact CB-O 3.37Å
507T72.4Confident71.1Confident0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-111.8128.2167.343.20000109.7L534 K535 Y559 A561 L563T507-L534 CarbonylContact C-O 3.54Å; T507-L534 WeakPolarHBondContact CA-O 3.38Å; T507-K535 HydrophobicContact CG2-CG 4.29Å; T507-Y559 PolarHBondContact N-O 2.98Å; T507-Y559 VanDerWaalsContact N-O 3.16Å; T507-Y559 PolarHBondContact O-N 2.72Å; T507-A561 PolarHBondContact N-O 3.04Å; T507-A561 PolarHBondContact OG1-O 3.35Å; T507-L563 PolarHBondContact OG1-N 2.98Å
508A75.9Confident70.2Confident0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-103.1123.2176.600000109.9M500 L534 V556 R557 V558M500-A508 HydrophobicContact CE-CB 4.32Å; M500-A508 HydrophobicContact SD-CB 4.06Å; A508-L534 HydrophobicContact CB-CB 4.42Å; A508-L534 PolarHBondContact N-O 2.71Å; A508-L534 PolarHBondContact O-N 3.45Å; A508-V556 HydrophobicContact CB-CG1 3.96Å; A508-R557 CarbonylContact C-O 3.53Å; A508-R557 VanDerWaalsContact CA-O 3.31Å; A508-R557 WeakPolarHBondContact CA-O 3.3Å; A508-V558 HydrophobicContact CB-CG2 4.17Å
509L82.2Confident68.9Low13 Ų1362.2 Ų62.27%0.06832%0.324CS..EExtended strand (participates in β ladder)trans-92114169.3178.267.2000108.6Q511 L533 V556 R557 Y559 I568L509-Q511 HydrophobicContact CD2-CG 4.42Å; L509-Q511 HydrophobicContact CG-CG 4.14Å; L509-L533 HydrophobicContact CB-CD1 4.39Å; L509-L533 HydrophobicContact CD1-CD1 4.4Å; L509-V556 CarbonylContact O-C 3.53Å; L509-V556 WeakPolarHBondContact O-CA 3.34Å; L509-R557 PolarHBondContact N-O 2.97Å; L509-R557 PolarHBondContact O-N 3.48Å; L509-Y559 HydrophobicContact CB-CE2 4.22Å; L509-I568 HydrophobicContact CD2-CG2 4.16Å
510I80.9Confident67.8Low0 Ų061.2 Ų61.20%032%0.323CS..EExtended strand (participates in β ladder)trans-105.4123.7-178.4-59.9142.9000107.8I498 W512 T531 I532 L534 V541 L543 V554 R555 V556I498-I510 HydrophobicContact CD1-CD1 3.39Å; I498-I510 HydrophobicContact CD1-CG1 3.65Å; I510-W512 HydrophobicContact CG2-CE3 4.47Å; I510-T531 CarbonylContact O-C 3.54Å; I510-T531 VanDerWaalsContact O-CA 3.25Å; I510-T531 WeakPolarHBondContact O-CA 3.38Å; I510-I532 HydrophobicContact CB-CG2 3.82Å; I510-I532 HydrophobicContact CD1-CG2 4.14Å; I510-I532 HydrophobicContact CG2-CG2 4.27Å; I510-I532 PolarHBondContact N-O 3.19Å; I510-I532 PolarHBondContact O-N 3.04Å; I510-L534 HydrophobicContact CD1-CB 3.62Å; I510-L534 HydrophobicContact CD1-CD2 3.8Å; I510-L534 HydrophobicContact CD1-CG 4.28Å; I510-V541 HydrophobicContact CD1-CB 4.17Å; I510-V541 HydrophobicContact CD1-CG1 4.05Å; I510-V541 HydrophobicContact CD1-CG2 4.14Å; I510-L543 HydrophobicContact CG2-CD2 4.2Å; I510-V554 HydrophobicContact CG2-CG1 4.12Å; I510-R555 CarbonylContact C-O 3.59Å; I510-R555 WeakPolarHBondContact CA-O 3.42Å; I510-V556 HydrophobicContact CB-CG2 4.38Å; I510-V556 HydrophobicContact CG1-CB 4.41Å; I510-V556 HydrophobicContact CG1-CG1 3.95Å; I510-V556 HydrophobicContact CG1-CG2 3.86Å; I510-V556 HydrophobicContact CG2-CG2 4.19Å
511Q82.9Confident66.7Low33 Ų3367.8 Ų67.815%0.15436%0.359CS..EExtended strand (participates in β ladder)trans-122.7126.3179.3-51.7-171.5-46.200109.1L509 S530 T531 V554 R555L509-Q511 HydrophobicContact CD2-CG 4.42Å; L509-Q511 HydrophobicContact CG-CG 4.14Å; Q511-S530 CarbonylContact C-O 3.59Å; Q511-S530 VanDerWaalsContact CA-O 3.27Å; Q511-S530 WeakPolarHBondContact CA-O 3.4Å; Q511-T531 HydrophobicContact CB-CG2 4.07Å; Q511-T531 HydrophobicContact CG-CG2 3.58Å; Q511-V554 CarbonylContact O-C 3.58Å; Q511-V554 WeakPolarHBondContact O-CA 3.39Å; Q511-R555 PolarHBondContact N-O 2.93Å; Q511-R555 PolarHBondContact O-N 2.84Å
512W83Confident65.7Low16 Ų1667.4 Ų67.46%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-122.2139.9174.267.8100.5000111.3I510 P529 S530 I532 L543 E544 G553 V554I510-W512 HydrophobicContact CG2-CE3 4.47Å; W512-P529 CarbonylContact O-C 3.48Å; W512-P529 WeakPolarHBondContact O-CA 3.25Å; W512-S530 PolarHBondContact N-O 3.39Å; W512-S530 PolarHBondContact O-N 2.85Å; W512-I532 HydrophobicContact CH2-CB 4.35Å; W512-I532 HydrophobicContact CH2-CG2 4.35Å; W512-I532 HydrophobicContact CZ3-CB 3.99Å; W512-I532 HydrophobicContact CZ3-CG2 3.66Å; W512-L543 HydrophobicContact CB-CD1 4.49Å; W512-L543 HydrophobicContact CD2-CB 4.21Å; W512-L543 HydrophobicContact CD2-CD2 3.95Å; W512-L543 HydrophobicContact CD2-CG 4.47Å; W512-L543 HydrophobicContact CE3-CD2 3.63Å; W512-L543 HydrophobicContact CG-CD1 4.42Å; W512-L543 HydrophobicContact CH2-CD2 4.39Å; W512-L543 HydrophobicContact CZ2-CB 4.29Å; W512-L543 HydrophobicContact CZ3-CD2 3.88Å; W512-E544 WeakPolarHBondContact CZ2-O 3.14Å; W512-E544 PolarHBondContact NE1-O 3Å; W512-G553 VanDerWaalsContact CA-O 3.25Å; W512-G553 WeakPolarHBondContact CA-O 3.21Å; W512-V554 HydrophobicContact CB-CG2 4.14Å
513Y77.9Confident64.7Low57 Ų5770.8 Ų70.822%0.22438%0.377CS..EExtended strand (participates in β ladder)trans-141.4147.2-17756.4-83.3000110.5Y552 G553 R555Y513-Y552 WeakPolarHBondContact O-CA 3.32Å; Y513-Y552 WeakPolarHBondContact O-CD1 3.44Å; Y513-G553 PolarHBondContact N-O 3.48Å; Y513-G553 PolarHBondContact O-N 3.27Å; Y513-R555 HydrophobicContact CE1-CG 4.22Å; Y513-R555 PolarHBondContact OH-NE 2.95Å; Y513-R555 PolarHBondContact OH-NH2 2.84Å; Y513-R555 VanDerWaalsContact OH-NH2 3.16Å
514L78.5Confident64.1Low36 Ų3666.8 Ų66.819%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-71.7132.2177.1-177.768.4000109.9C517 T527 C550 Y552L514-C517 VanDerWaalsContact CD1-SG 3.57Å; L514-T527 WeakPolarHBondContact CB-OG1 3.42Å; L514-C550 HydrophobicContact CD1-CB 3.49Å; L514-C550 VanDerWaalsContact CD1-CB 3.49Å; L514-Y552 HydrophobicContact CB-CD1 4.48Å; L514-Y552 HydrophobicContact CB-CE1 3.96Å; L514-Y552 HydrophobicContact CD1-CD2 4.28Å; L514-Y552 HydrophobicContact CD1-CE1 4.05Å; L514-Y552 HydrophobicContact CD1-CE2 3.71Å
515Q69.7Low63.2Low105 Ų10569.4 Ų69.449%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-103.1-51.3178.3-167.7168.8-6.500111.8H551Q515-H551 WeakPolarHBondContact CB-O 3.3Å; Q515-H551 PolarHBondContact N-O 3.18Å
516V67Low62.1Low79 Ų7971.2 Ų71.248%0.47939%0.388SS..EExtended strand (participates in β ladder)trans-161152.3178.558.20000110.5C550 H551V516-C550 CarbonylContact O-C 3.48Å; V516-C550 WeakPolarHBondContact O-CA 3.47Å; V516-H551 HydrophobicContact CG1-CB 3.84Å; V516-H551 PolarHBondContact N-O 3.04Å; V516-H551 PolarHBondContact O-N 3.43Å
517C66.7Low61.6Low26 Ų2673.4 Ų73.418%0.17640%0.401CS..EExtended strand (participates in β ladder)trans-123.3149.5169.7-55.70000110.9L514 D519 N549 C550L514-C517 VanDerWaalsContact CD1-SG 3.57Å; C517-D519 VanDerWaalsContact C-N 3.34Å; C517-N549 CarbonylContact C-O 3.52Å; C517-N549 VanDerWaalsContact CA-O 3.28Å; C517-N549 WeakPolarHBondContact CA-O 3.12Å; C517-C550 HydrophobicContact CB-CB 4.09Å; C517-C550 WeakPolarHBondContact CB-SG 3.47Å; C517-C550 WeakPolarHBondContact SG-CB 2.91Å; C517-C550 CovalentContact SG-SG 2.04Å; C517-C550 PolarHBondContact SG-SG 3.35Å
518V60Low60.9Low122 Ų12280.6 Ų80.674%0.73944%0.439SS*.THydrogen-bonded Turntrans-69.5-31.8-178.9-179.90000111.9N549V518-N549 HydrophobicContact CB-CB 4.36Å; V518-N549 PolarHBondContact N-O 3.49Å
519D47.5Very low60.7Low114 Ų11483.8 Ų83.861%0.6146%0.46SS*.THydrogen-bonded Turntrans-108.99.3-169.8-63.9-43.7000115.2C517 N521 N549C517-D519 VanDerWaalsContact C-N 3.34Å; D519-N521 PolarHBondContact O-N 2.96Å; D519-N549 PolarHBondContact OD2-ND2 3.48Å
520S46.6Very low60.4Low56 Ų5684.8 Ų84.839%0.39247%0.468SS..  trans-96.592.5179.667.60000111.9N522S520-N522 PolarHBondContact O-N 3.22Å
521N40.4Very low60.3Low175 Ų17588.6 Ų88.694%0.93649%0.491SS*.  trans-66.5-5.3151.7-87.1-16.7000111.9D519D519-N521 PolarHBondContact O-N 2.96Å
522N38.8Very low60.1Low128 Ų12889.9 Ų89.968%0.68450%0.499SS*.SBendtrans-74.8131.8171.2-79.3-40.3000109.9S520 I524S520-N522 PolarHBondContact O-N 3.22Å; N522-I524 PolarHBondContact O-N 2.84Å
523P39.5Very low59.9Low111 Ų11192 Ų9272%0.72151%0.511SS*.  trans-55.2133.9173.126.6-32.9000107.5L525P523-L525 PolarHBondContact O-N 2.8Å
524I42.1Very low59.7Low135 Ų13589.9 Ų89.969%0.69250%0.503SS*.  trans-32.3102.2178.1-60.3161.8000108.5N522 D526N522-I524 PolarHBondContact O-N 2.84Å; I524-D526 PolarHBondContact O-N 3.03Å; I524-D526 VanDerWaalsContact O-N 3.08Å
525L43.3Very low59.5Low135 Ų13594.6 Ų94.671%0.70752%0.522SS*.  trans-64.1115.2169.9-166.276.4000103.2P523 T527P523-L525 PolarHBondContact O-N 2.8Å; L525-T527 HydrophobicContact CD2-CG2 4.48Å; L525-T527 PolarHBondContact O-N 2.98Å
526D42.3Very low59.2Low154 Ų15491.2 Ų91.282%0.82451%0.51SS*.  trans-59.978.4177.5-81.4-37000109I524 L528I524-D526 PolarHBondContact O-N 3.03Å; I524-D526 VanDerWaalsContact O-N 3.08Å; D526-L528 PolarHBondContact O-N 2.97Å; D526-L528 VanDerWaalsContact O-N 3.09Å
527T55Low59.2Low46 Ų4695.5 Ų95.528%0.28252%0.522SS..  trans-74.4104.617357.10000105.6L514 L525L514-T527 WeakPolarHBondContact CB-OG1 3.42Å; L525-T527 HydrophobicContact CD2-CG2 4.48Å; L525-T527 PolarHBondContact O-N 2.98Å
528L59.6Low59.3Low152 Ų15298.5 Ų98.580%0.79654%0.537SS*.PPolyproline II helixtrans-46.2134.3172.2-82.3151.6000109.5D526 S530D526-L528 PolarHBondContact O-N 2.97Å; D526-L528 VanDerWaalsContact O-N 3.09Å; L528-S530 PolarHBondContact O-N 3.39Å; L528-S530 VanDerWaalsContact O-N 3.15Å
529P69.9Low59.9Low67 Ų6799 Ų9944%0.43553%0.529SS..PPolyproline II helixtrans-52.4126176-21.629.6000109.4W512W512-P529 CarbonylContact O-C 3.48Å; W512-P529 WeakPolarHBondContact O-CA 3.25Å
530S77.3Confident61.3Low34 Ų3497.9 Ų97.924%0.23852%0.522CS..EExtended strand (participates in β ladder)trans-80.3138.9173-68.80000108.5Q511 W512 L528Q511-S530 CarbonylContact C-O 3.59Å; Q511-S530 VanDerWaalsContact CA-O 3.27Å; Q511-S530 WeakPolarHBondContact CA-O 3.4Å; W512-S530 PolarHBondContact N-O 3.39Å; W512-S530 PolarHBondContact O-N 2.85Å; L528-S530 PolarHBondContact O-N 3.39Å; L528-S530 VanDerWaalsContact O-N 3.15Å
531T77.3Confident63Low80 Ų8095.5 Ų95.549%0.49151%0.505SS..EExtended strand (participates in β ladder)trans-128.3145.4-175.469.80000110.5I510 Q511I510-T531 CarbonylContact O-C 3.54Å; I510-T531 VanDerWaalsContact O-CA 3.25Å; I510-T531 WeakPolarHBondContact O-CA 3.38Å; Q511-T531 HydrophobicContact CB-CG2 4.07Å; Q511-T531 HydrophobicContact CG-CG2 3.58Å
532I80.2Confident65Low60 Ų6090.9 Ų90.931%0.30848%0.48SS..EExtended strand (participates in β ladder)trans-143.9143.4175.1-167.1166.2000109.7I510 W512 V541I510-I532 HydrophobicContact CB-CG2 3.82Å; I510-I532 HydrophobicContact CD1-CG2 4.14Å; I510-I532 HydrophobicContact CG2-CG2 4.27Å; I510-I532 PolarHBondContact N-O 3.19Å; I510-I532 PolarHBondContact O-N 3.04Å; W512-I532 HydrophobicContact CH2-CB 4.35Å; W512-I532 HydrophobicContact CH2-CG2 4.35Å; W512-I532 HydrophobicContact CZ3-CB 3.99Å; W512-I532 HydrophobicContact CZ3-CG2 3.66Å; I532-V541 HydrophobicContact CD1-CG2 3.94Å; I532-V541 HydrophobicContact CG2-CG2 3.57Å
533L78.6Confident67.2Low60 Ų6084.8 Ų84.831%0.31445%0.447SS..EExtended strand (participates in β ladder)trans-99.9127.7176.8-165.476.8000109.8L509 I568L509-L533 HydrophobicContact CB-CD1 4.39Å; L509-L533 HydrophobicContact CD1-CD1 4.4Å; L533-I568 HydrophobicContact CD1-CD1 3.21Å; L533-I568 HydrophobicContact CD2-CD1 4.23Å; L533-I568 HydrophobicContact CG-CD1 4.36Å
534L74Confident69.3Low12 Ų1282.6 Ų82.66%0.06343%0.427CS..EExtended strand (participates in β ladder)trans-118.7130.9-179.8-163.573.3000109.7I498 T507 A508 I510 D538 V541I498-L534 HydrophobicContact CD1-CD2 4Å; T507-L534 CarbonylContact C-O 3.54Å; T507-L534 WeakPolarHBondContact CA-O 3.38Å; A508-L534 HydrophobicContact CB-CB 4.42Å; A508-L534 PolarHBondContact N-O 2.71Å; A508-L534 PolarHBondContact O-N 3.45Å; I510-L534 HydrophobicContact CD1-CB 3.62Å; I510-L534 HydrophobicContact CD1-CD2 3.8Å; I510-L534 HydrophobicContact CD1-CG 4.28Å; L534-D538 HydrophobicContact CD1-CB 3.51Å; L534-D538 WeakPolarHBondContact CD2-O 3.27Å; L534-D538 HydrophobicContact CG-CB 3.89Å; L534-V541 HydrophobicContact CD1-CB 4.3Å; L534-V541 HydrophobicContact CD1-CG2 4.48Å; L534-V541 HydrophobicContact CD2-CB 4.43Å
535K73Confident71Confident135 Ų13580.2 Ų80.259%0.58742%0.416SS*.EExtended strand (participates in β ladder)trans-85.6144172.9-65.3-178.8179.8-178.90108.7T507 K537 D538T507-K535 HydrophobicContact CG2-CG 4.29Å; K535-K537 PolarHBondContact O-N 2.92Å; K535-D538 PolarHBondContact O-N 3.36Å
536S64Low72.8Confident34 Ų3474.3 Ų74.324%0.23839%0.385CS..THydrogen-bonded Turntrans-50.7-23.3-173.4177.10000115.9S506 D538S506-S536 WeakPolarHBondContact O-CA 3.46Å; S506-S536 WeakPolarHBondContact O-CB 3.29Å; S506-S536 PolarHBondContact O-N 3.48Å; S506-S536 WeakPolarHBondContact OG-CB 3.45Å; S506-S536 PolarHBondContact OG-OG 3.21Å; S536-D538 VanDerWaalsContact C-N 3.29Å; S536-D538 PolarHBondContact O-N 3.08Å
537K67.5Low74.6Confident169 Ų16971.2 Ų71.274%0.73537%0.365SS*.THydrogen-bonded Turntrans-66.1-31.3174.3-65.8-173.7-178.8177.80113K535K535-K537 PolarHBondContact O-N 2.92Å
538D68Low75.6Confident90 Ų9071.8 Ų71.848%0.48136%0.364SS..  trans-89.2117.3-179.2-58.8-40.4000109.3L534 K535 S536L534-D538 HydrophobicContact CD1-CB 3.51Å; L534-D538 WeakPolarHBondContact CD2-O 3.27Å; L534-D538 HydrophobicContact CG-CB 3.89Å; K535-D538 PolarHBondContact O-N 3.36Å; S536-D538 VanDerWaalsContact C-N 3.29Å; S536-D538 PolarHBondContact O-N 3.08Å
539K72.3Confident76.3Confident132 Ų13266.4 Ų66.457%0.57434%0.336SS*.  trans-95-8.1178.4-64.3-173.4-179.9-178.20113.4Q497 I498Q497-K539 CarbonylContact C-O 3.57Å; Q497-K539 VanDerWaalsContact CA-O 3.31Å; Q497-K539 WeakPolarHBondContact CA-O 3.19Å; I498-K539 PolarHBondContact N-O 3.04Å
540I76.8Confident76.6Confident91 Ų9163.4 Ų63.447%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-128132.7-172.3-59.6176.2000108.4I495 L496 Q497I495-I540 HydrophobicContact CG2-CG2 3.35Å; L496-I540 WeakPolarHBondContact O-CA 3.48Å; Q497-I540 HydrophobicContact CB-CG1 4.39Å; Q497-I540 HydrophobicContact CG-CG1 4.38Å
541V82.4Confident76.7Confident5 Ų563.3 Ų63.33%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-125.5145.1175.768.80000109.8L496 I498 I510 I532 L534 L543L496-V541 HydrophobicContact CB-CG1 3.73Å; L496-V541 HydrophobicContact CD2-CG1 4.24Å; L496-V541 HydrophobicContact CG-CG1 4.43Å; L496-V541 PolarHBondContact N-O 3.34Å; L496-V541 PolarHBondContact O-N 2.84Å; I498-V541 HydrophobicContact CD1-CG1 4.36Å; I510-V541 HydrophobicContact CD1-CB 4.17Å; I510-V541 HydrophobicContact CD1-CG1 4.05Å; I510-V541 HydrophobicContact CD1-CG2 4.14Å; I532-V541 HydrophobicContact CD1-CG2 3.94Å; I532-V541 HydrophobicContact CG2-CG2 3.57Å; L534-V541 HydrophobicContact CD1-CB 4.3Å; L534-V541 HydrophobicContact CD1-CG2 4.48Å; L534-V541 HydrophobicContact CD2-CB 4.43Å; V541-L543 HydrophobicContact CG1-CD2 3.94Å; V541-L543 HydrophobicContact CG2-CD2 4.38Å
542I83.8Confident76.9Confident79 Ų7959.8 Ų59.841%0.40529%0.29SS..EExtended strand (participates in β ladder)trans-103.2118.1173.3-58.2176.5000107.8F486 K493 A494 E544F486-I542 HydrophobicContact CZ-CG2 4.24Å; K493-I542 HydrophobicContact CB-CG2 4.04Å; K493-I542 HydrophobicContact CD-CG2 4.07Å; A494-I542 CarbonylContact O-C 3.55Å; A494-I542 WeakPolarHBondContact O-CA 3.38Å; I542-E544 HydrophobicContact CG2-CG 4.31Å
543L84.5Confident76.9Confident0 Ų057 Ų570%028%0.276CS..EExtended strand (participates in β ladder)trans-88.8133.8173.8-46.3-178.9000108.5K493 A494 L496 I510 W512 V541 L546 V554 F591K493-L543 CarbonylContact C-O 3.51Å; K493-L543 WeakPolarHBondContact CA-O 2.98Å; A494-L543 HydrophobicContact CB-CB 4.3Å; A494-L543 PolarHBondContact N-O 3.44Å; A494-L543 PolarHBondContact O-N 3.3Å; L496-L543 HydrophobicContact CB-CD1 4.33Å; L496-L543 HydrophobicContact CB-CG 4.4Å; L496-L543 HydrophobicContact CD2-CD1 4.32Å; I510-L543 HydrophobicContact CG2-CD2 4.2Å; W512-L543 HydrophobicContact CB-CD1 4.49Å; W512-L543 HydrophobicContact CD2-CB 4.21Å; W512-L543 HydrophobicContact CD2-CD2 3.95Å; W512-L543 HydrophobicContact CD2-CG 4.47Å; W512-L543 HydrophobicContact CE3-CD2 3.63Å; W512-L543 HydrophobicContact CG-CD1 4.42Å; W512-L543 HydrophobicContact CH2-CD2 4.39Å; W512-L543 HydrophobicContact CZ2-CB 4.29Å; W512-L543 HydrophobicContact CZ3-CD2 3.88Å; V541-L543 HydrophobicContact CG1-CD2 3.94Å; V541-L543 HydrophobicContact CG2-CD2 4.38Å; L543-L546 HydrophobicContact CB-CD1 4.45Å; L543-V554 HydrophobicContact CD1-CG2 4.41Å; L543-F591 HydrophobicContact CD1-CE1 3.63Å; L543-F591 HydrophobicContact CD1-CZ 3.88Å
544E83.4Confident77Confident65 Ų6554.3 Ų54.330%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-121.6178.5-179-55.2-163.6153.100111.6K493 W512 I542 L546K493-E544 HydrophobicContact CD-CG 4.02Å; K493-E544 WeakPolarHBondContact CD-OE1 3.36Å; K493-E544 WeakPolarHBondContact CE-OE1 3.47Å; K493-E544 HydrophobicContact CG-CG 4.08Å; K493-E544 IonicContact NZ-OE1 3.34Å; K493-E544 PolarHBondContact NZ-OE1 2.69Å; W512-E544 WeakPolarHBondContact CZ2-O 3.14Å; W512-E544 PolarHBondContact NE1-O 3Å; I542-E544 HydrophobicContact CG2-CG 4.31Å; E544-L546 VanDerWaalsContact C-N 3.3Å; E544-L546 PolarHBondContact O-N 2.96Å
545N78.1Confident77.2Confident84 Ų8458 Ų5845%0.44928%0.275SS..EExtended strand (participates in β ladder)trans58.139.7-178.7-53.4-35.4000113K491K491-N545 PolarHBondContact NZ-OD1 3.02Å
546L80.6Confident77.4Confident12 Ų1251.6 Ų51.66%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-89.4153.8177.7-53.5177.1000111.2L492 A494 L543 E544 Y552 F591 T593L492-L546 HydrophobicContact CB-CB 4.04Å; L492-L546 WeakPolarHBondContact CB-O 3.23Å; L492-L546 HydrophobicContact CD2-CB 3.94Å; L492-L546 HydrophobicContact CG-CB 4.1Å; L492-L546 PolarHBondContact O-N 2.81Å; A494-L546 HydrophobicContact CB-CD1 3.47Å; A494-L546 VanDerWaalsContact CB-CD1 3.47Å; L543-L546 HydrophobicContact CB-CD1 4.45Å; E544-L546 VanDerWaalsContact C-N 3.3Å; E544-L546 PolarHBondContact O-N 2.96Å; L546-Y552 WeakPolarHBondContact CA-OH 3.49Å; L546-Y552 HydrophobicContact CB-CE2 4.37Å; L546-Y552 HydrophobicContact CD2-CD1 3.97Å; L546-Y552 HydrophobicContact CD2-CD2 4.4Å; L546-Y552 HydrophobicContact CD2-CE1 3.7Å; L546-Y552 HydrophobicContact CD2-CE2 4.14Å; L546-Y552 HydrophobicContact CD2-CG 4.31Å; L546-F591 HydrophobicContact CD1-CE2 4.08Å; L546-F591 HydrophobicContact CD1-CZ 4.08Å; L546-F591 HydrophobicContact CD2-CZ 4.06Å; L546-T593 HydrophobicContact CB-CG2 4.3Å; L546-T593 HydrophobicContact CD1-CG2 4.44Å
547H79.9Confident78Confident88 Ų8853.3 Ų53.341%0.40725%0.249SC..  trans-110.2157.1175.7-63.678.8000110.7L492 C550 Y552 T593L492-H547 WeakPolarHBondContact CD2-O 3.1Å; H547-C550 VanDerWaalsContact CB-SG 3.58Å; H547-Y552 PolarHBondContact N-OH 3.03Å; H547-Y552 PolarHBondContact ND1-OH 3.05Å; H547-Y552 VanDerWaalsContact ND1-OH 3.11Å; H547-T593 WeakPolarHBondContact O-CB 3.46Å; H547-T593 WeakPolarHBondContact O-CG2 3.33Å; H547-T593 PolarHBondContact O-OG1 3.06Å
548F76.3Confident78.3Confident59 Ų5945.5 Ų45.526%0.25922%0.215SC..THydrogen-bonded Turntrans-78.2151.3178-62.1-78.9000111.9Y487 L492 C550 P594 C596 V599 P607Y487-F548 HydrophobicContact CD2-CE1 4.43Å; Y487-F548 HydrophobicContact CD2-CE2 4.43Å; Y487-F548 AromaticContact CD2-CZ 3.63Å; Y487-F548 HydrophobicContact CD2-CZ 3.63Å; Y487-F548 HydrophobicContact CE2-CE2 4.15Å; Y487-F548 AromaticContact CE2-CZ 3.76Å; Y487-F548 HydrophobicContact CE2-CZ 3.76Å; Y487-F548 HydrophobicContact CG-CZ 4.42Å; L492-F548 HydrophobicContact CD1-CD1 4.2Å; L492-F548 HydrophobicContact CD1-CE1 3.65Å; L492-F548 HydrophobicContact CD1-CZ 4.22Å; L492-F548 HydrophobicContact CD2-CD1 4.02Å; L492-F548 HydrophobicContact CD2-CE1 4.24Å; L492-F548 HydrophobicContact CD2-CG 4.46Å; L492-F548 HydrophobicContact CG-CE1 4.42Å; F548-C550 PolarHBondContact O-N 2.86Å; F548-C550 PolarHBondContact O-SG 2.96Å; F548-P594 WeakPolarHBondContact CA-O 3.35Å; F548-P594 WeakPolarHBondContact CD1-O 3.17Å; F548-C596 HydrophobicContact CB-CB 4.45Å; F548-C596 VanDerWaalsContact CD1-CA 3.49Å; F548-C596 HydrophobicContact CD1-CB 3.88Å; F548-C596 HydrophobicContact CD2-CB 3.96Å; F548-C596 HydrophobicContact CE1-CB 4Å; F548-C596 HydrophobicContact CE2-CB 4.1Å; F548-C596 HydrophobicContact CG-CB 3.85Å; F548-C596 HydrophobicContact CZ-CB 4.12Å; F548-V599 HydrophobicContact CD1-CG2 4.36Å; F548-V599 HydrophobicContact CE1-CB 4.16Å; F548-V599 HydrophobicContact CE1-CG2 3.97Å; F548-P607 HydrophobicContact CE1-CG 4.27Å; F548-P607 HydrophobicContact CZ-CB 4.14Å; F548-P607 HydrophobicContact CZ-CG 3.71Å
549N75.1Confident78.4Confident39 Ų3942.6 Ų42.621%0.20920%0.197CC..THydrogen-bonded Turntrans55.542.2179-80.8-12000114.4C517 V518 D519 T593 P594 S595C517-N549 CarbonylContact C-O 3.52Å; C517-N549 VanDerWaalsContact CA-O 3.28Å; C517-N549 WeakPolarHBondContact CA-O 3.12Å; V518-N549 HydrophobicContact CB-CB 4.36Å; V518-N549 PolarHBondContact N-O 3.49Å; D519-N549 PolarHBondContact OD2-ND2 3.48Å; N549-T593 WeakPolarHBondContact CA-O 3.47Å; N549-T593 PolarHBondContact N-O 3.1Å; N549-P594 PolarHBondContact N-O 2.76Å; N549-S595 WeakPolarHBondContact OD1-CA 3.34Å; N549-S595 VanDerWaalsContact OD1-CB 3.28Å; N549-S595 WeakPolarHBondContact OD1-CB 3.49Å; N549-S595 PolarHBondContact OD1-N 3.19Å
550C75.7Confident78.1Confident3 Ų341 Ų412%0.0220%0.2CC..EExtended strand (participates in β ladder)trans-129.8151.4-174.8-59.20000113.2L514 V516 C517 H547 F548 Y552 C592 T593L514-C550 HydrophobicContact CD1-CB 3.49Å; L514-C550 VanDerWaalsContact CD1-CB 3.49Å; V516-C550 CarbonylContact O-C 3.48Å; V516-C550 WeakPolarHBondContact O-CA 3.47Å; C517-C550 HydrophobicContact CB-CB 4.09Å; C517-C550 WeakPolarHBondContact CB-SG 3.47Å; C517-C550 WeakPolarHBondContact SG-CB 2.91Å; C517-C550 CovalentContact SG-SG 2.04Å; C517-C550 PolarHBondContact SG-SG 3.35Å; H547-C550 VanDerWaalsContact CB-SG 3.58Å; F548-C550 PolarHBondContact O-N 2.86Å; F548-C550 PolarHBondContact O-SG 2.96Å; C550-Y552 HydrophobicContact CB-CD2 4.2Å; C550-Y552 HydrophobicContact CB-CE2 3.74Å; C550-C592 WeakPolarHBondContact O-CA 3.28Å; C550-T593 PolarHBondContact N-OG1 2.94Å; C550-T593 PolarHBondContact O-N 3.06Å; C550-T593 PolarHBondContact O-OG1 3.3Å; C550-T593 VanDerWaalsContact O-OG1 3.08Å
551H80Confident77.6Confident33 Ų3339 Ų3915%0.15320%0.198CC..EExtended strand (participates in β ladder)trans-98.7125.6172-172.5177000109.1C473 Q515 V516 C590C473-H551 PolarHBondContact SG-NE2 3.42Å; Q515-H551 WeakPolarHBondContact CB-O 3.3Å; Q515-H551 PolarHBondContact N-O 3.18Å; V516-H551 HydrophobicContact CG1-CB 3.84Å; V516-H551 PolarHBondContact N-O 3.04Å; V516-H551 PolarHBondContact O-N 3.43Å; H551-C590 WeakPolarHBondContact NE2-CB 3.33Å; H551-C590 PolarHBondContact NE2-SG 2.72Å
552Y80Confident76.5Confident6 Ų642.8 Ų42.82%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-113.7135.1178.8-81.3-93.1000111.7Y513 L514 L546 H547 C550 C590 F591 T593Y513-Y552 WeakPolarHBondContact O-CA 3.32Å; Y513-Y552 WeakPolarHBondContact O-CD1 3.44Å; L514-Y552 HydrophobicContact CB-CD1 4.48Å; L514-Y552 HydrophobicContact CB-CE1 3.96Å; L514-Y552 HydrophobicContact CD1-CD2 4.28Å; L514-Y552 HydrophobicContact CD1-CE1 4.05Å; L514-Y552 HydrophobicContact CD1-CE2 3.71Å; L546-Y552 WeakPolarHBondContact CA-OH 3.49Å; L546-Y552 HydrophobicContact CB-CE2 4.37Å; L546-Y552 HydrophobicContact CD2-CD1 3.97Å; L546-Y552 HydrophobicContact CD2-CD2 4.4Å; L546-Y552 HydrophobicContact CD2-CE1 3.7Å; L546-Y552 HydrophobicContact CD2-CE2 4.14Å; L546-Y552 HydrophobicContact CD2-CG 4.31Å; H547-Y552 PolarHBondContact N-OH 3.03Å; H547-Y552 PolarHBondContact ND1-OH 3.05Å; H547-Y552 VanDerWaalsContact ND1-OH 3.11Å; C550-Y552 HydrophobicContact CB-CD2 4.2Å; C550-Y552 HydrophobicContact CB-CE2 3.74Å; Y552-C590 CarbonylContact O-C 3.42Å; Y552-C590 WeakPolarHBondContact O-CA 3.45Å; Y552-C590 VanDerWaalsContact O-CB 3.25Å; Y552-C590 WeakPolarHBondContact O-CB 3.3Å; Y552-F591 HydrophobicContact CD2-CE2 4.31Å; Y552-F591 HydrophobicContact CD2-CZ 4.35Å; Y552-F591 HydrophobicContact CG-CE1 4.42Å; Y552-F591 HydrophobicContact CG-CE2 4.35Å; Y552-F591 AromaticContact CG-CZ 3.97Å; Y552-F591 HydrophobicContact CG-CZ 3.97Å; Y552-F591 PolarHBondContact N-O 3.36Å; Y552-F591 PolarHBondContact O-N 3.18Å; Y552-T593 HydrophobicContact CD2-CG2 3.88Å; Y552-T593 HydrophobicContact CE2-CG2 3.91Å
553G81.3Confident75.5Confident2 Ų240.7 Ų40.72%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-91.9140.6167.700000111W512 Y513W512-G553 VanDerWaalsContact CA-O 3.25Å; W512-G553 WeakPolarHBondContact CA-O 3.21Å; Y513-G553 PolarHBondContact N-O 3.48Å; Y513-G553 PolarHBondContact O-N 3.27Å
554V80.2Confident74.5Confident2 Ų244.9 Ų44.91%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-124.6131.1177.2-176.20000109.7L480 L496 I510 Q511 W512 L543 V556 I588 G589 F591L480-V554 HydrophobicContact CD1-CB 4.41Å; L480-V554 HydrophobicContact CD1-CG1 4.2Å; L496-V554 HydrophobicContact CD2-CG1 3.95Å; I510-V554 HydrophobicContact CG2-CG1 4.12Å; Q511-V554 CarbonylContact O-C 3.58Å; Q511-V554 WeakPolarHBondContact O-CA 3.39Å; W512-V554 HydrophobicContact CB-CG2 4.14Å; L543-V554 HydrophobicContact CD1-CG2 4.41Å; V554-V556 HydrophobicContact CG1-CG2 4.12Å; V554-I588 WeakPolarHBondContact O-CA 3.47Å; V554-G589 PolarHBondContact N-O 3.31Å; V554-G589 PolarHBondContact O-N 2.67Å; V554-F591 HydrophobicContact CG2-CD1 3.64Å; V554-F591 HydrophobicContact CG2-CE1 3.5Å
555R78Confident73.3Confident90 Ų9045.1 Ų45.134%0.3425%0.246SC..EExtended strand (participates in β ladder)trans-120.7130.2171.6-66.5-178.9-163.8153.77.2109.6I510 Q511 Y513 Y587 I588I510-R555 CarbonylContact C-O 3.59Å; I510-R555 WeakPolarHBondContact CA-O 3.42Å; Q511-R555 PolarHBondContact N-O 2.93Å; Q511-R555 PolarHBondContact O-N 2.84Å; Y513-R555 HydrophobicContact CE1-CG 4.22Å; Y513-R555 PolarHBondContact OH-NE 2.95Å; Y513-R555 PolarHBondContact OH-NH2 2.84Å; Y513-R555 VanDerWaalsContact OH-NH2 3.16Å; R555-Y587 CarbonylContact C-O 3.5Å; R555-Y587 WeakPolarHBondContact CA-O 3.41Å; R555-I588 HydrophobicContact CG-CG1 4.29Å; R555-I588 HydrophobicContact CG-CG2 4.36Å
556V77.3Confident72.6Confident0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-120.6113.9176.6-176.80000108.1L480 I498 A508 L509 I510 V554 V558 V586 Y587L480-V556 HydrophobicContact CD1-CG2 4.18Å; L480-V556 HydrophobicContact CD2-CB 4.43Å; L480-V556 HydrophobicContact CD2-CG2 3.54Å; L480-V556 HydrophobicContact CG-CG2 4.5Å; I498-V556 HydrophobicContact CD1-CG1 4.25Å; I498-V556 HydrophobicContact CD1-CG2 4.19Å; A508-V556 HydrophobicContact CB-CG1 3.96Å; L509-V556 CarbonylContact O-C 3.53Å; L509-V556 WeakPolarHBondContact O-CA 3.34Å; I510-V556 HydrophobicContact CB-CG2 4.38Å; I510-V556 HydrophobicContact CG1-CB 4.41Å; I510-V556 HydrophobicContact CG1-CG1 3.95Å; I510-V556 HydrophobicContact CG1-CG2 3.86Å; I510-V556 HydrophobicContact CG2-CG2 4.19Å; V554-V556 HydrophobicContact CG1-CG2 4.12Å; V556-V558 HydrophobicContact CG1-CG2 4.15Å; V556-V586 CarbonylContact O-C 3.53Å; V556-V586 WeakPolarHBondContact O-CA 3.08Å; V556-Y587 PolarHBondContact N-O 3.06Å; V556-Y587 PolarHBondContact O-N 3.39Å
557R77.1Confident71.5Confident71 Ų7155.5 Ų55.527%0.26828%0.284SS..EExtended strand (participates in β ladder)trans-101.2122.9172.8-62-165.2175.399.90.1109.1A508 L509 Y559 V586A508-R557 CarbonylContact C-O 3.53Å; A508-R557 VanDerWaalsContact CA-O 3.31Å; A508-R557 WeakPolarHBondContact CA-O 3.3Å; L509-R557 PolarHBondContact N-O 2.97Å; L509-R557 PolarHBondContact O-N 3.48Å; R557-Y559 HydrophobicContact CB-CE2 3.98Å; R557-V586 HydrophobicContact CG-CG1 4.28Å; R557-V586 HydrophobicContact CG-CG2 4.03Å
558V73.7Confident70.5Confident5 Ų551.7 Ų51.73%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-105.7126.7179.3-165.90000110.7M500 I502 A508 V556 I585 Y587M500-V558 HydrophobicContact CG-CG2 4.49Å; M500-V558 HydrophobicContact SD-CG1 4.07Å; M500-V558 HydrophobicContact SD-CG2 3.59Å; M500-V558 VanDerWaalsContact SD-CG2 3.59Å; I502-V558 HydrophobicContact CD1-CB 3.87Å; I502-V558 HydrophobicContact CD1-CG1 3.31Å; I502-V558 HydrophobicContact CD1-CG2 4.23Å; A508-V558 HydrophobicContact CB-CG2 4.17Å; V556-V558 HydrophobicContact CG1-CG2 4.15Å; V558-I585 PolarHBondContact N-O 3.37Å; V558-I585 PolarHBondContact O-N 3.41Å; V558-Y587 HydrophobicContact CG2-CD2 4.19Å; V558-Y587 HydrophobicContact CG2-CE2 3.99Å
559Y70.3Confident69.5Low29 Ų2952.6 Ų52.611%0.11428%0.277CS..EExtended strand (participates in β ladder)trans-105133.6177.8-60.4-84.9000110S506 T507 L509 R557 A561 L563S506-Y559 WeakPolarHBondContact CA-O 3.18Å; S506-Y559 WeakPolarHBondContact CB-O 3.37Å; T507-Y559 PolarHBondContact N-O 2.98Å; T507-Y559 VanDerWaalsContact N-O 3.16Å; T507-Y559 PolarHBondContact O-N 2.72Å; L509-Y559 HydrophobicContact CB-CE2 4.22Å; R557-Y559 HydrophobicContact CB-CE2 3.98Å; Y559-A561 PolarHBondContact O-N 2.93Å; Y559-L563 HydrophobicContact CD1-CD1 4.06Å; Y559-L563 HydrophobicContact CD2-CD1 4.35Å; Y559-L563 HydrophobicContact CG-CD1 3.76Å
560P64.6Low68.7Low98 Ų9856.1 Ų56.164%0.63629%0.293SS*.SBendtrans-73.515.3-174.728.5-34.1000115.1
561A66.9Low67.7Low49 Ų4958.4 Ų58.441%0.40530%0.304SS..SBendtrans-140.5160.5176.800000110.5T507 Y559 L563T507-A561 PolarHBondContact N-O 3.04Å; T507-A561 PolarHBondContact OG1-O 3.35Å; Y559-A561 PolarHBondContact O-N 2.93Å; A561-L563 PolarHBondContact O-N 2.72Å; A561-L563 VanDerWaalsContact O-N 3.15Å
562T60.4Low66.5Low85 Ų8560.8 Ų60.852%0.52132%0.315SS..  trans-78.691.4174.244.20000110.7E505E505-T562 HydrophobicContact CB-CG2 3.87Å
563L63.1Low65.1Low35 Ų3564.5 Ų64.518%0.18334%0.342CS..  trans-91.4144.5179.2-63166.7000111.3T507 Y559 A561 I568 M571T507-L563 PolarHBondContact OG1-N 2.98Å; Y559-L563 HydrophobicContact CD1-CD1 4.06Å; Y559-L563 HydrophobicContact CD2-CD1 4.35Å; Y559-L563 HydrophobicContact CG-CD1 3.76Å; A561-L563 PolarHBondContact O-N 2.72Å; A561-L563 VanDerWaalsContact O-N 3.15Å; L563-I568 HydrophobicContact CB-CD1 4.03Å; L563-I568 HydrophobicContact CB-CG1 3.81Å; L563-I568 HydrophobicContact CD1-CG1 4.12Å; L563-M571 HydrophobicContact CD1-SD 4.3Å
564D63.1Low63.6Low88 Ų8868.9 Ų68.947%0.47137%0.365SS..  trans-84.4163.6165.965.717.3000110.8K566 Y567 I568D564-K566 PolarHBondContact O-N 2.93Å; D564-K566 PolarHBondContact OD1-N 3.23Å; D564-Y567 PolarHBondContact O-N 2.77Å; D564-Y567 VanDerWaalsContact OD1-CB 3.28Å; D564-Y567 WeakPolarHBondContact OD1-CB 3.41Å; D564-Y567 WeakPolarHBondContact OD1-CD2 3.16Å; D564-Y567 PolarHBondContact OD1-N 3.18Å; D564-I568 WeakPolarHBondContact O-CG1 3.48Å; D564-I568 PolarHBondContact O-N 2.8Å
565A58.2Low62Low70 Ų7072.2 Ų72.258%0.57939%0.385SS*.Hα-helixtrans-59.1-30.6-178.200000112.5I568 T569A565-I568 PolarHBondContact O-N 3.36Å; A565-T569 PolarHBondContact O-N 2.9Å; A565-T569 VanDerWaalsContact O-N 3.15Å; A565-T569 PolarHBondContact O-OG1 3.47Å; A565-T569 VanDerWaalsContact O-OG1 3.05Å
566K61.8Low60.3Low173 Ų17376.5 Ų76.575%0.75241%0.408SS*.Hα-helixtrans-70.7-44.6-177.1-134.7179.6-174.8-177.70111.3D564 I568 T569 M570D564-K566 PolarHBondContact O-N 2.93Å; D564-K566 PolarHBondContact OD1-N 3.23Å; K566-I568 VanDerWaalsContact C-N 3.34Å; K566-T569 WeakPolarHBondContact CA-OG1 3.18Å; K566-T569 PolarHBondContact O-N 2.8Å; K566-T569 PolarHBondContact O-OG1 3.44Å; K566-M570 WeakPolarHBondContact O-CB 3.25Å; K566-M570 PolarHBondContact O-N 2.95Å
567Y58Low58.9Low141 Ų14182.1 Ų82.155%0.55344%0.442SS*.Hα-helixtrans-65-36.5175.1-98.5-90.4000112.4D564 M570 M571D564-Y567 PolarHBondContact O-N 2.77Å; D564-Y567 VanDerWaalsContact OD1-CB 3.28Å; D564-Y567 WeakPolarHBondContact OD1-CB 3.41Å; D564-Y567 WeakPolarHBondContact OD1-CD2 3.16Å; D564-Y567 PolarHBondContact OD1-N 3.18Å; Y567-M570 PolarHBondContact O-N 3.12Å; Y567-M571 WeakPolarHBondContact O-CB 3.45Å; Y567-M571 PolarHBondContact O-N 2.87Å
568I58.6Low57.1Low8 Ų884 Ų844%0.04145%0.454CS..Hα-helixtrans-64.7-47.3177.4-66169.5000110.4L509 L533 L563 D564 A565 K566 M570 M571 E572L509-I568 HydrophobicContact CD2-CG2 4.16Å; L533-I568 HydrophobicContact CD1-CD1 3.21Å; L533-I568 HydrophobicContact CD2-CD1 4.23Å; L533-I568 HydrophobicContact CG-CD1 4.36Å; L563-I568 HydrophobicContact CB-CD1 4.03Å; L563-I568 HydrophobicContact CB-CG1 3.81Å; L563-I568 HydrophobicContact CD1-CG1 4.12Å; D564-I568 WeakPolarHBondContact O-CG1 3.48Å; D564-I568 PolarHBondContact O-N 2.8Å; A565-I568 PolarHBondContact O-N 3.36Å; K566-I568 VanDerWaalsContact C-N 3.34Å; I568-M570 VanDerWaalsContact C-N 3.28Å; I568-M570 PolarHBondContact O-N 2.94Å; I568-M571 PolarHBondContact O-N 3.3Å; I568-E572 WeakPolarHBondContact O-CG 3.39Å; I568-E572 PolarHBondContact O-N 3.25Å
569T56.2Low55.5Low78 Ų7892.3 Ų92.348%0.47950%0.499SS..Hα-helixtrans-61.7-35.217539.50000113A565 K566 S573A565-T569 PolarHBondContact O-N 2.9Å; A565-T569 VanDerWaalsContact O-N 3.15Å; A565-T569 PolarHBondContact O-OG1 3.47Å; A565-T569 VanDerWaalsContact O-OG1 3.05Å; K566-T569 WeakPolarHBondContact CA-OG1 3.18Å; K566-T569 PolarHBondContact O-N 2.8Å; K566-T569 PolarHBondContact O-OG1 3.44Å; T569-S573 WeakPolarHBondContact O-CB 3.47Å; T569-S573 PolarHBondContact O-N 3.1Å; T569-S573 VanDerWaalsContact O-N 3.08Å; T569-S573 PolarHBondContact O-OG 2.75Å
570M59.1Low54.1Low113 Ų11397.4 Ų97.456%0.55752%0.523SS*.Hα-helixtrans-69.1-43.7176.1-173.117717700111.6K566 Y567 I568 S573 L574K566-M570 WeakPolarHBondContact O-CB 3.25Å; K566-M570 PolarHBondContact O-N 2.95Å; Y567-M570 PolarHBondContact O-N 3.12Å; I568-M570 VanDerWaalsContact C-N 3.28Å; I568-M570 PolarHBondContact O-N 2.94Å; M570-S573 PolarHBondContact O-N 2.97Å; M570-L574 HydrophobicContact CE-CD1 4.13Å; M570-L574 HydrophobicContact CG-CD1 3.96Å; M570-L574 WeakPolarHBondContact O-CD1 3.42Å; M570-L574 PolarHBondContact O-N 3.49Å
571M54.3Low52.9Low51 Ų51102 Ų10225%0.25154%0.536SS..Hα-helixtrans-63.4-43.3174.6-83-176.776.600111.6L563 Y567 I568 S573 L574 V575 F582L563-M571 HydrophobicContact CD1-SD 4.3Å; Y567-M571 WeakPolarHBondContact O-CB 3.45Å; Y567-M571 PolarHBondContact O-N 2.87Å; I568-M571 PolarHBondContact O-N 3.3Å; M571-S573 VanDerWaalsContact C-N 3.25Å; M571-S573 PolarHBondContact O-N 3.46Å; M571-L574 PolarHBondContact O-N 3.01Å; M571-V575 WeakPolarHBondContact O-CB 3.26Å; M571-V575 VanDerWaalsContact O-CG2 3.22Å; M571-V575 WeakPolarHBondContact O-CG2 3.49Å; M571-V575 PolarHBondContact O-N 3.33Å; M571-F582 HydrophobicContact CE-CD1 4.04Å; M571-F582 HydrophobicContact CE-CD2 4.13Å; M571-F582 HydrophobicContact CE-CE1 3.7Å; M571-F582 HydrophobicContact CE-CE2 3.79Å; M571-F582 HydrophobicContact CE-CG 4.24Å; M571-F582 HydrophobicContact CE-CZ 3.57Å
572E53.5Low51.9Low82 Ų82106.2 Ų106.238%0.38355%0.546SS..Hα-helixtrans-61.4-35.1176.2-74.7-172.5154.500111.9I568I568-E572 WeakPolarHBondContact O-CG 3.39Å; I568-E572 PolarHBondContact O-N 3.25Å
573S51.5Low51.2Low84 Ų84109.9 Ų109.959%0.58756%0.562SS**Hα-helixtrans-71.3-37.9175.4-560000112.9T569 M570 M571T569-S573 WeakPolarHBondContact O-CB 3.47Å; T569-S573 PolarHBondContact O-N 3.1Å; T569-S573 VanDerWaalsContact O-N 3.08Å; T569-S573 PolarHBondContact O-OG 2.75Å; M570-S573 PolarHBondContact O-N 2.97Å; M571-S573 VanDerWaalsContact C-N 3.25Å; M571-S573 PolarHBondContact O-N 3.46Å
574L48.9Very low50.8Low95 Ų95109.2 Ų109.250%0.49756%0.563SS.*Hα-helixtrans-72.3-35.6177.4-101.5110.9000112.8M570 M571 H576 V577 Q578M570-L574 HydrophobicContact CE-CD1 4.13Å; M570-L574 HydrophobicContact CG-CD1 3.96Å; M570-L574 WeakPolarHBondContact O-CD1 3.42Å; M570-L574 PolarHBondContact O-N 3.49Å; M571-L574 PolarHBondContact O-N 3.01Å; L574-H576 VanDerWaalsContact C-N 3.25Å; L574-H576 PolarHBondContact O-N 3.42Å; L574-V577 PolarHBondContact O-N 3.09Å; L574-Q578 PolarHBondContact O-N 3.15Å
575V47.5Very low50.6Low71 Ų71108.9 Ų108.943%0.4356%0.561SS.*Hα-helixtrans-65.3-27.8-179169.10000112M571 V577 Q578M571-V575 WeakPolarHBondContact O-CB 3.26Å; M571-V575 VanDerWaalsContact O-CG2 3.22Å; M571-V575 WeakPolarHBondContact O-CG2 3.49Å; M571-V575 PolarHBondContact O-N 3.33Å; V575-V577 PolarHBondContact O-N 2.71Å; V575-Q578 VanDerWaalsContact O-O 3.11Å
576H42.7Very low51Low180 Ų180108.9 Ų108.983%0.83355%0.553SS**THydrogen-bonded Turntrans-68.8-13.8175.1-144.949.9000113.4L574L574-H576 VanDerWaalsContact C-N 3.25Å; L574-H576 PolarHBondContact O-N 3.42Å
577V46.8Very low51.4Low118 Ų118102.7 Ų102.772%0.71553%0.526SS*.THydrogen-bonded Turntrans-99.5-26.6-178.2-174.20000112.3L574 V575L574-V577 PolarHBondContact O-N 3.09Å; V575-V577 PolarHBondContact O-N 2.71Å
578Q39.3Very low51.9Low112 Ų112101.2 Ų101.252%0.52353%0.526SS..SBendtrans-130.1115.9-177.3-62.9-176.8-100108.9L574 V575 Q580L574-Q578 PolarHBondContact O-N 3.15Å; V575-Q578 VanDerWaalsContact O-O 3.11Å; Q578-Q580 PolarHBondContact O-N 2.9Å
579N39.8Very low52.7Low179 Ų179101.2 Ų101.296%0.95753%0.528SS*.  trans-61.733.1176.8-101.1-7.5000114.1Q581N579-Q581 PolarHBondContact O-N 3.42Å
580Q41.6Very low53.9Low136 Ų13698.9 Ų98.964%0.63652%0.515SS*.  trans-85.3109.7175.6-75.7-175.4-26.600109.5Q578 F582Q578-Q580 PolarHBondContact O-N 2.9Å; Q580-F582 PolarHBondContact O-N 2.68Å
581Q40.7Very low54.8Low194 Ų19493.9 Ų93.991%0.90749%0.49SS*.  trans-68.597.2177.4-171.6167.9-5.300109.4N579N579-Q581 PolarHBondContact O-N 3.42Å
582F44.3Very low56Low137 Ų13793.1 Ų93.160%0.60149%0.489SS*.  trans-66.9133.2171.9-113.1-88.5000110.1M571 Q580 G584M571-F582 HydrophobicContact CE-CD1 4.04Å; M571-F582 HydrophobicContact CE-CD2 4.13Å; M571-F582 HydrophobicContact CE-CE1 3.7Å; M571-F582 HydrophobicContact CE-CE2 3.79Å; M571-F582 HydrophobicContact CE-CG 4.24Å; M571-F582 HydrophobicContact CE-CZ 3.57Å; Q580-F582 PolarHBondContact O-N 2.68Å; F582-G584 PolarHBondContact O-N 3.17Å
583D47.1Very low57.3Low163 Ų16389.6 Ų89.687%0.87247%0.473SS*.  trans-77.640.3-175.3-146.513.7000112.7
584G53.4Low58.2Low20 Ų2087.4 Ų87.421%0.20646%0.457CS..  trans-76.5127.4175.500000110.1F582 V586F582-G584 PolarHBondContact O-N 3.17Å; G584-V586 WeakPolarHBondContact O-CG2 3.13Å; G584-V586 PolarHBondContact O-N 3.13Å
585I60.4Low59Low81 Ų8183.4 Ų83.442%0.41544%0.437SS..EExtended strand (participates in β ladder)trans-69.1118.3176.7-56.4174.5000108I502 V558 Y587I502-I585 HydrophobicContact CD1-CD1 4.37Å; V558-I585 PolarHBondContact N-O 3.37Å; V558-I585 PolarHBondContact O-N 3.41Å; I585-Y587 HydrophobicContact CG2-CD1 4.24Å; I585-Y587 HydrophobicContact CG2-CD2 4.28Å; I585-Y587 HydrophobicContact CG2-CE1 3.66Å; I585-Y587 HydrophobicContact CG2-CE2 3.69Å
586V66.3Low59.9Low70 Ų7080.8 Ų80.842%0.42442%0.422SS..EExtended strand (participates in β ladder)trans-105.7116.5177.5-173.60000109.2V556 R557 G584 I588V556-V586 CarbonylContact O-C 3.53Å; V556-V586 WeakPolarHBondContact O-CA 3.08Å; R557-V586 HydrophobicContact CG-CG1 4.28Å; R557-V586 HydrophobicContact CG-CG2 4.03Å; G584-V586 WeakPolarHBondContact O-CG2 3.13Å; G584-V586 PolarHBondContact O-N 3.13Å; V586-I588 HydrophobicContact CG1-CG1 4.09Å
587Y68.6Low60.9Low43 Ų4374.1 Ų74.117%0.16940%0.395CS..EExtended strand (participates in β ladder)trans-98.7134.4169.4-55.7-67.4000109.9P479 M500 R555 V556 V558 I585P479-Y587 HydrophobicContact CB-CD1 4.42Å; P479-Y587 HydrophobicContact CB-CE1 4.4Å; P479-Y587 HydrophobicContact CG-CD1 3.21Å; P479-Y587 HydrophobicContact CG-CD2 4.13Å; P479-Y587 HydrophobicContact CG-CE1 3.56Å; P479-Y587 HydrophobicContact CG-CE2 4.42Å; P479-Y587 HydrophobicContact CG-CG 3.49Å; P479-Y587 VanDerWaalsContact CG-CG 3.49Å; M500-Y587 HydrophobicContact CG-CE2 4.44Å; R555-Y587 CarbonylContact C-O 3.5Å; R555-Y587 WeakPolarHBondContact CA-O 3.41Å; V556-Y587 PolarHBondContact N-O 3.06Å; V556-Y587 PolarHBondContact O-N 3.39Å; V558-Y587 HydrophobicContact CG2-CD2 4.19Å; V558-Y587 HydrophobicContact CG2-CE2 3.99Å; I585-Y587 HydrophobicContact CG2-CD1 4.24Å; I585-Y587 HydrophobicContact CG2-CD2 4.28Å; I585-Y587 HydrophobicContact CG2-CE1 3.66Å; I585-Y587 HydrophobicContact CG2-CE2 3.69Å
588I70.1Confident61.5Low110 Ų11074.1 Ų74.156%0.56439%0.391SS*.EExtended strand (participates in β ladder)trans-122.6130.6177.1-50.9-179.2000107.1V554 R555 V586V554-I588 WeakPolarHBondContact O-CA 3.47Å; R555-I588 HydrophobicContact CG-CG1 4.29Å; R555-I588 HydrophobicContact CG-CG2 4.36Å; V586-I588 HydrophobicContact CG1-CG1 4.09Å
589G75.1Confident62.6Low8 Ų869 Ų698%0.08237%0.368CS..EExtended strand (participates in β ladder)trans-145.3179.6174.900000110.5V554V554-G589 PolarHBondContact N-O 3.31Å; V554-G589 PolarHBondContact O-N 2.67Å
590C80.5Confident63.4Low30 Ų3065.7 Ų65.720%0.20335%0.349CS..EExtended strand (participates in β ladder)trans-144.4164.3174.362.30000110.6C473 H551 Y552C473-C590 WeakPolarHBondContact CA-SG 3.35Å; C473-C590 HydrophobicContact CB-CB 4.45Å; C473-C590 WeakPolarHBondContact CB-SG 3.19Å; C473-C590 WeakPolarHBondContact SG-CB 3.39Å; C473-C590 PolarHBondContact SG-O 3.21Å; C473-C590 CovalentContact SG-SG 2.04Å; C473-C590 PolarHBondContact SG-SG 3.13Å; H551-C590 WeakPolarHBondContact NE2-CB 3.33Å; H551-C590 PolarHBondContact NE2-SG 2.72Å; Y552-C590 CarbonylContact O-C 3.42Å; Y552-C590 WeakPolarHBondContact O-CA 3.45Å; Y552-C590 VanDerWaalsContact O-CB 3.25Å; Y552-C590 WeakPolarHBondContact O-CB 3.3Å
591F78.7Confident64.2Low8 Ų860.9 Ų60.94%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-152.5162170.669.3-86.5000111.5L482 I485 A494 L543 L546 Y552 V554 T593L482-F591 HydrophobicContact CD1-CD2 4.41Å; L482-F591 HydrophobicContact CD1-CG 4.47Å; L482-F591 HydrophobicContact CD2-CB 3.89Å; L482-F591 HydrophobicContact CD2-CD2 4.2Å; L482-F591 HydrophobicContact CD2-CG 4.31Å; I485-F591 HydrophobicContact CD1-CD2 4.11Å; I485-F591 HydrophobicContact CD1-CE2 4.4Å; A494-F591 HydrophobicContact CB-CE2 4.12Å; A494-F591 HydrophobicContact CB-CZ 4.3Å; L543-F591 HydrophobicContact CD1-CE1 3.63Å; L543-F591 HydrophobicContact CD1-CZ 3.88Å; L546-F591 HydrophobicContact CD1-CE2 4.08Å; L546-F591 HydrophobicContact CD1-CZ 4.08Å; L546-F591 HydrophobicContact CD2-CZ 4.06Å; Y552-F591 HydrophobicContact CD2-CE2 4.31Å; Y552-F591 HydrophobicContact CD2-CZ 4.35Å; Y552-F591 HydrophobicContact CG-CE1 4.42Å; Y552-F591 HydrophobicContact CG-CE2 4.35Å; Y552-F591 AromaticContact CG-CZ 3.97Å; Y552-F591 HydrophobicContact CG-CZ 3.97Å; Y552-F591 PolarHBondContact N-O 3.36Å; Y552-F591 PolarHBondContact O-N 3.18Å; V554-F591 HydrophobicContact CG2-CD1 3.64Å; V554-F591 HydrophobicContact CG2-CE1 3.5Å; F591-T593 HydrophobicContact CD2-CG2 4.45Å; F591-T593 HydrophobicContact CE2-CG2 3.89Å
592C80.2Confident64.9Low34 Ų3460.4 Ų60.423%0.2332%0.322CS..EExtended strand (participates in β ladder)trans-109.6136.8-178.6-59.20000110.8C471 I485 C550C471-C592 HydrophobicContact CB-CB 3.79Å; C471-C592 WeakPolarHBondContact CB-SG 3.47Å; C471-C592 PolarHBondContact O-SG 2.91Å; C471-C592 WeakPolarHBondContact SG-CB 3.45Å; C471-C592 CovalentContact SG-SG 2.01Å; C471-C592 PolarHBondContact SG-SG 2.96Å; I485-C592 WeakPolarHBondContact CD1-O 3.21Å; C550-C592 WeakPolarHBondContact O-CA 3.28Å
593T79.9Confident65.4Low8 Ų861.3 Ų61.35%0.04933%0.328CS..PPolyproline II helixtrans-92.8137.9171.357.30000110.7I485 L492 L546 H547 N549 C550 Y552 F591I485-T593 HydrophobicContact CD1-CG2 4.31Å; L492-T593 HydrophobicContact CD2-CG2 3.91Å; L546-T593 HydrophobicContact CB-CG2 4.3Å; L546-T593 HydrophobicContact CD1-CG2 4.44Å; H547-T593 WeakPolarHBondContact O-CB 3.46Å; H547-T593 WeakPolarHBondContact O-CG2 3.33Å; H547-T593 PolarHBondContact O-OG1 3.06Å; N549-T593 WeakPolarHBondContact CA-O 3.47Å; N549-T593 PolarHBondContact N-O 3.1Å; C550-T593 PolarHBondContact N-OG1 2.94Å; C550-T593 PolarHBondContact O-N 3.06Å; C550-T593 PolarHBondContact O-OG1 3.3Å; C550-T593 VanDerWaalsContact O-OG1 3.08Å; Y552-T593 HydrophobicContact CD2-CG2 3.88Å; Y552-T593 HydrophobicContact CE2-CG2 3.91Å; F591-T593 HydrophobicContact CD2-CG2 4.45Å; F591-T593 HydrophobicContact CE2-CG2 3.89Å
594P70.1Confident65.7Low39 Ų3956.3 Ų56.325%0.25332%0.315SS..PPolyproline II helixtrans-72.1167.417932-37.6000112.1I485 F548 N549 N598 V599I485-P594 HydrophobicContact CG2-CG 4.2Å; F548-P594 WeakPolarHBondContact CA-O 3.35Å; F548-P594 WeakPolarHBondContact CD1-O 3.17Å; N549-P594 PolarHBondContact N-O 2.76Å; P594-N598 HydrophobicContact CB-CB 4.08Å; P594-V599 HydrophobicContact CB-CG2 4.19Å; P594-V599 HydrophobicContact CG-CG2 3.34Å
595S66.7Low65.6Low10 Ų1060.9 Ų60.97%0.0733%0.331CS..PPolyproline II helixtrans-60.2152.9167.3166.30000111.4N549 S597 N598N549-S595 WeakPolarHBondContact OD1-CA 3.34Å; N549-S595 VanDerWaalsContact OD1-CB 3.28Å; N549-S595 WeakPolarHBondContact OD1-CB 3.49Å; N549-S595 PolarHBondContact OD1-N 3.19Å; S595-S597 WeakPolarHBondContact CB-OG 3.29Å; S595-S597 PolarHBondContact O-N 3.07Å; S595-S597 VanDerWaalsContact O-N 3.16Å; S595-S597 PolarHBondContact OG-N 2.87Å; S595-S597 VanDerWaalsContact OG-N 3.09Å; S595-S597 PolarHBondContact OG-OG 2.97Å; S595-N598 PolarHBondContact O-N 2.96Å
596C66.3Low65.2Low16 Ų1661.2 Ų61.211%0.10833%0.334CS..G310 helixtrans-58.8-25.5172.469.80000112.5F548 N598 L606 P607 C610F548-C596 HydrophobicContact CB-CB 4.45Å; F548-C596 VanDerWaalsContact CD1-CA 3.49Å; F548-C596 HydrophobicContact CD1-CB 3.88Å; F548-C596 HydrophobicContact CD2-CB 3.96Å; F548-C596 HydrophobicContact CE1-CB 4Å; F548-C596 HydrophobicContact CE2-CB 4.1Å; F548-C596 HydrophobicContact CG-CB 3.85Å; F548-C596 HydrophobicContact CZ-CB 4.12Å; C596-N598 PolarHBondContact O-N 2.82Å; C596-L606 WeakPolarHBondContact O-CD2 3.48Å; C596-P607 HydrophobicContact CB-CG 4.49Å; C596-C610 HydrophobicContact CB-CB 3.8Å; C596-C610 WeakPolarHBondContact CB-SG 3.3Å; C596-C610 VanDerWaalsContact SG-CA 3.53Å; C596-C610 WeakPolarHBondContact SG-CB 3.33Å; C596-C610 CovalentContact SG-SG 2.04Å; C596-C610 PolarHBondContact SG-SG 3.33Å
597S63Low64.9Low40 Ų4058.2 Ų58.228%0.2832%0.316SS..G310 helixtrans-67.2-20.5174.663.90000114.3S595S595-S597 WeakPolarHBondContact CB-OG 3.29Å; S595-S597 PolarHBondContact O-N 3.07Å; S595-S597 VanDerWaalsContact O-N 3.16Å; S595-S597 PolarHBondContact OG-N 2.87Å; S595-S597 VanDerWaalsContact OG-N 3.09Å; S595-S597 PolarHBondContact OG-OG 2.97Å
598N60.6Low64.3Low118 Ų11861.5 Ų61.563%0.63134%0.336SS*.G310 helixtrans-105.8-0.6-172.2-63.6-3.7000112.6P594 S595 C596P594-N598 HydrophobicContact CB-CB 4.08Å; S595-N598 PolarHBondContact O-N 2.96Å; C596-N598 PolarHBondContact O-N 2.82Å
599V62.4Low63.5Low6 Ų664 Ų644%0.03635%0.351CS..  trans-114.5114.4178.6-167.10000109.2L492 F548 P594 P607L492-V599 HydrophobicContact CD1-CG1 4.2Å; L492-V599 HydrophobicContact CD1-CG2 4.16Å; F548-V599 HydrophobicContact CD1-CG2 4.36Å; F548-V599 HydrophobicContact CE1-CB 4.16Å; F548-V599 HydrophobicContact CE1-CG2 3.97Å; P594-V599 HydrophobicContact CB-CG2 4.19Å; P594-V599 HydrophobicContact CG-CG2 3.34Å; V599-P607 WeakPolarHBondContact O-CD 3.19Å
600I56Low62.3Low109 Ų10965 Ų6556%0.55936%0.356SS*.  trans-99.1133.6177.1-42.2175.8000107.6G604I600-G604 WeakPolarHBondContact CG2-O 3.32Å
601N58.6Low60.8Low35 Ų3570.8 Ų70.819%0.18738%0.384CS..  trans-70.2171.2171.96317.8000110.5Y487 E603 G604 Q605Y487-N601 HydrophobicContact CD1-CB 4.38Å; N601-E603 PolarHBondContact O-N 3.13Å; N601-E603 PolarHBondContact OD1-N 2.96Å; N601-G604 PolarHBondContact O-N 2.92Å; N601-G604 PolarHBondContact OD1-N 3.23Å; N601-Q605 PolarHBondContact N-O 2.96Å; N601-Q605 PolarHBondContact ND2-O 3.36Å; N601-Q605 WeakPolarHBondContact OD1-CA 3.27Å; N601-Q605 WeakPolarHBondContact OD1-CB 3.32Å; N601-Q605 PolarHBondContact OD1-N 3.4Å; N601-Q605 PolarHBondContact OD1-O 3.42Å
602K54.7Low59.2Low183 Ų18375.5 Ų75.580%0.79641%0.408SS*.THydrogen-bonded Turntrans-58.2-22.1-179.5-77.9179.5172.4165.80113.5E488 G604E488-K602 WeakPolarHBondContact OE1-CE 3.26Å; E488-K602 IonicContact OE1-NZ 2.68Å; E488-K602 PolarHBondContact OE1-NZ 3.26Å; K602-G604 VanDerWaalsContact C-N 3.34Å
603E55.3Low57.3Low156 Ų15677 Ų7773%0.72942%0.418SS*.THydrogen-bonded Turntrans-892.5-178.9-66.6171.1174.900113.2N601 Q605N601-E603 PolarHBondContact O-N 3.13Å; N601-E603 PolarHBondContact OD1-N 2.96Å; E603-Q605 VanDerWaalsContact C-N 3.29Å; E603-Q605 PolarHBondContact O-N 3.31Å
604G51.9Low55.4Low58 Ų5882.9 Ų82.960%0.59845%0.449SS*.SBendtrans81.27.1179.400000114.2I600 N601 K602I600-G604 WeakPolarHBondContact CG2-O 3.32Å; N601-G604 PolarHBondContact O-N 2.92Å; N601-G604 PolarHBondContact OD1-N 3.23Å; K602-G604 VanDerWaalsContact C-N 3.34Å
605Q51.9Low54.1Low116 Ų11686.1 Ų86.154%0.54246%0.463SS..PPolyproline II helixtrans-101.1154.2-177.9-62.3178.1-11.400112.2N601 E603N601-Q605 PolarHBondContact N-O 2.96Å; N601-Q605 PolarHBondContact ND2-O 3.36Å; N601-Q605 WeakPolarHBondContact OD1-CA 3.27Å; N601-Q605 WeakPolarHBondContact OD1-CB 3.32Å; N601-Q605 PolarHBondContact OD1-N 3.4Å; N601-Q605 PolarHBondContact OD1-O 3.42Å; E603-Q605 VanDerWaalsContact C-N 3.29Å; E603-Q605 PolarHBondContact O-N 3.31Å
606L51.7Low53.3Low89 Ų8988.5 Ų88.547%0.46649%0.49SS..PPolyproline II helixtrans-73.6153.7171.7-77.1152000110.3C596C596-L606 WeakPolarHBondContact O-CD2 3.48Å
607P59.8Low53Low7 Ų792.1 Ų92.15%0.04552%0.516CS..PPolyproline II helixtrans-56.3140172.5-23.934.2000112.3Y487 F548 C596 V599 C610Y487-P607 HydrophobicContact CD1-CB 4.11Å; Y487-P607 HydrophobicContact CD1-CG 3.96Å; Y487-P607 HydrophobicContact CD2-CG 4.42Å; Y487-P607 HydrophobicContact CE1-CB 3.69Å; Y487-P607 HydrophobicContact CE1-CG 4.07Å; Y487-P607 HydrophobicContact CE2-CB 4.29Å; Y487-P607 HydrophobicContact CG-CG 4.12Å; F548-P607 HydrophobicContact CE1-CG 4.27Å; F548-P607 HydrophobicContact CZ-CB 4.14Å; F548-P607 HydrophobicContact CZ-CG 3.71Å; C596-P607 HydrophobicContact CB-CG 4.49Å; V599-P607 WeakPolarHBondContact O-CD 3.19Å; P607-C610 VanDerWaalsContact O-CB 3.29Å; P607-C610 WeakPolarHBondContact O-CB 3.36Å; P607-C610 PolarHBondContact O-N 3.3Å
608D56.6Low53.2Low111 Ų11191.4 Ų91.459%0.59451%0.51SS*.THydrogen-bonded Turntrans-56.4137.7174.6-63.4-48.1000111H490 C610H490-D608 IonicContact CE1-OD2 2.69Å; H490-D608 PolarHBondContact CE1-OD2 3.02Å; H490-D608 IonicContact ND1-OD2 3.78Å; D608-C610 VanDerWaalsContact C-N 3.32Å; D608-C610 PolarHBondContact O-N 3.39Å
609N53.2Low53.8Low163 Ų16388.5 Ų88.587%0.87250%0.499SS*.THydrogen-bonded Turntrans63.322.8-175.4-60.5-27.2000116.2I611N609-I611 PolarHBondContact O-N 3.48Å
610C49.5Very low54.7Low28 Ų2890.8 Ų90.819%0.18951%0.514CS..  trans-68100.9169.7179.60000111C596 P607 D608 L612C596-C610 HydrophobicContact CB-CB 3.8Å; C596-C610 WeakPolarHBondContact CB-SG 3.3Å; C596-C610 VanDerWaalsContact SG-CA 3.53Å; C596-C610 WeakPolarHBondContact SG-CB 3.33Å; C596-C610 CovalentContact SG-SG 2.04Å; C596-C610 PolarHBondContact SG-SG 3.33Å; P607-C610 VanDerWaalsContact O-CB 3.29Å; P607-C610 WeakPolarHBondContact O-CB 3.36Å; P607-C610 PolarHBondContact O-N 3.3Å; D608-C610 VanDerWaalsContact C-N 3.32Å; D608-C610 PolarHBondContact O-N 3.39Å; C610-L612 PolarHBondContact O-N 2.89Å
611I48.9Very low56.1Low153 Ų15385.7 Ų85.779%0.78549%0.488SS*.  trans-78.1110.5170.1-56.2173.7000106.7N609N609-I611 PolarHBondContact O-N 3.48Å
612L45.5Very low57.3Low106 Ų10687.9 Ų87.956%0.55550%0.503SS*.  trans-58.7136.1175.8-85.7114.1000109.9C610 D614C610-L612 PolarHBondContact O-N 2.89Å; L612-D614 PolarHBondContact O-N 3.46Å
613P39.9Very low58.6Low67 Ų6786 Ų8644%0.43550%0.495SS..  trans-49.9139.8169.6-2230.5000109.4L615P613-L615 PolarHBondContact O-N 2.04Å
614D40.3Very low60.2Low130 Ų13079.7 Ų79.770%0.69547%0.466SS*.  trans-53.8104.1-179.5-129.9-19.3000108.3L612 G616 R743L612-D614 PolarHBondContact O-N 3.46Å; D614-G616 PolarHBondContact O-N 3.37Å; D614-R743 IonicContact OD1-CZ 2.81Å; D614-R743 IonicContact OD1-NE 3.54Å; D614-R743 IonicContact OD1-NH2 2.78Å; D614-R743 PolarHBondContact OD1-NH2 3.21Å
615L44.2Very low62Low107 Ų10782.1 Ų82.156%0.5646%0.462SS*.  trans-51.4115.7178.4-120.8119.5000105.8P613 R743P613-L615 PolarHBondContact O-N 2.04Å; L615-R743 PolarHBondContact O-NE 3.22Å
616G49.8Very low64Low61 Ų6178.7 Ų78.763%0.62945%0.449SS*.  trans-49.4157.9-173.500000112.4D614D614-G616 PolarHBondContact O-N 3.37Å
617S58.3Low65.8Low92 Ų9278.1 Ų78.164%0.64345%0.446SS*.  trans-45.5135.6-177.8-540000111.3
618P68.4Low67.3Low25 Ų2581.8 Ų81.816%0.16246%0.462CS..PPolyproline II helixtrans-56.3149.217923.9-32.8000110.1T733 F735 R743 S745P618-T733 HydrophobicContact CB-CG2 4.18Å; P618-F735 HydrophobicContact CB-CB 4.17Å; P618-F735 HydrophobicContact CG-CB 4.1Å; P618-R743 HydrophobicContact CG-CB 4.37Å; P618-S745 WeakPolarHBondContact O-CA 2.89Å; P618-S745 WeakPolarHBondContact O-CB 3.34Å
619S74Confident68.7Low57 Ų5780.3 Ų80.340%0.39945%0.453SS..PPolyproline II helixtrans-64.5138.4178.732.40000110.8P641 T733S619-P641 WeakPolarHBondContact O-CB 3.36Å; S619-P641 WeakPolarHBondContact O-CG 3.48Å; S619-P641 WeakPolarHBondContact OG-CB 3.48Å; S619-T733 WeakPolarHBondContact O-CB 3.23Å; S619-T733 PolarHBondContact O-OG1 2.91Å
620P80.6Confident70Confident53 Ų5376.4 Ų76.434%0.34443%0.432SS..PPolyproline II helixtrans-68.7153.4178.828.1-34.5000111.6S745 D746 V748P620-S745 WeakPolarHBondContact CA-OG 3.43Å; P620-D746 WeakPolarHBondContact CB-O 3.49Å; P620-V748 HydrophobicContact CB-CG2 3.72Å
621P84.9Confident71.5Confident3 Ų378 Ų782%0.01944%0.444CS..PPolyproline II helixtrans-58.5141.4177.1-2234.6000111.3W638 Y672 V731 T733 V748P621-W638 HydrophobicContact CB-CB 4.02Å; P621-W638 HydrophobicContact CB-CG 3.98Å; P621-Y672 HydrophobicContact CG-CD1 4.01Å; P621-Y672 HydrophobicContact CG-CE1 4.24Å; P621-V731 HydrophobicContact CB-CG1 4.19Å; P621-V731 HydrophobicContact CG-CB 4.43Å; P621-V731 HydrophobicContact CG-CG1 3.78Å; P621-T733 WeakPolarHBondContact CD-OG1 3.47Å; P621-T733 WeakPolarHBondContact CG-OG1 3.47Å; P621-V748 VanDerWaalsContact O-CG2 3.23Å; P621-V748 WeakPolarHBondContact O-CG2 3.24Å
622T83.1Confident73.4Confident81 Ų8171.5 Ų71.550%0.49741%0.411SS..EExtended strand (participates in β ladder)trans-109.3153.6-176.4-37.90000111.3V624 I639T622-V624 PolarHBondContact O-N 2.9Å; T622-I639 PolarHBondContact N-O 2.94Å; T622-I639 VanDerWaalsContact N-O 3.1Å; T622-I639 WeakPolarHBondContact O-CB 3.44Å; T622-I639 PolarHBondContact O-N 3.09Å
623K83.5Confident75.5Confident144 Ų14467.5 Ų67.563%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans5253.8179.1-59-167.2-174.2174.50113.1Q625 I639K623-Q625 PolarHBondContact O-N 3.35Å; K623-I639 HydrophobicContact CB-CD1 3.93Å; K623-I639 HydrophobicContact CB-CG1 4.19Å; K623-I639 HydrophobicContact CD-CD1 3.72Å; K623-I639 HydrophobicContact CG-CD1 4.13Å
624V88Confident78Confident22 Ų2264.8 Ų64.813%0.13337%0.371CS..EExtended strand (participates in β ladder)trans-65.5125.5170.5-171.70000108.5T622 I636 S637 W638 V731 V748 V750T622-V624 PolarHBondContact O-N 2.9Å; V624-I636 HydrophobicContact CG1-CG2 3.89Å; V624-S637 CarbonylContact C-O 3.56Å; V624-S637 WeakPolarHBondContact CA-O 3.48Å; V624-W638 HydrophobicContact CG2-CB 3.99Å; V624-V731 HydrophobicContact CG1-CG2 3.95Å; V624-V731 HydrophobicContact CG2-CB 4.44Å; V624-V731 HydrophobicContact CG2-CG2 4.36Å; V624-V748 HydrophobicContact CB-CG1 4.28Å; V624-V748 HydrophobicContact CG2-CB 3.93Å; V624-V748 HydrophobicContact CG2-CG1 3.54Å; V624-V750 HydrophobicContact CG1-CB 4.28Å; V624-V750 HydrophobicContact CG1-CG1 3.72Å
625Q90.8Very high80.5Confident110 Ų11063 Ų6351%0.51436%0.355SS..EExtended strand (participates in β ladder)trans-128.6146.1-176.8-70.1-179-12.200110.3K623 I636 S637K623-Q625 PolarHBondContact O-N 3.35Å; Q625-I636 WeakPolarHBondContact O-CA 3.38Å; Q625-S637 PolarHBondContact N-O 3.06Å; Q625-S637 PolarHBondContact O-N 3.28Å
626V92.2Very high82.8Confident44 Ų4458 Ų5827%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-111.3125.7175.2-175.50000108.4Y634 I636 V750 F752V626-Y634 HydrophobicContact CG1-CD1 3.91Å; V626-I636 HydrophobicContact CB-CD1 4.25Å; V626-I636 HydrophobicContact CG1-CD1 3.92Å; V626-I636 HydrophobicContact CG2-CD1 3.77Å; V626-V750 HydrophobicContact CG2-CB 4.39Å; V626-V750 HydrophobicContact CG2-CG1 3.78Å; V626-V750 HydrophobicContact CG2-CG2 3.66Å; V626-F752 HydrophobicContact CB-CD1 4.26Å; V626-F752 HydrophobicContact CB-CG 4.44Å; V626-F752 HydrophobicContact CG1-CB 4.22Å; V626-F752 HydrophobicContact CG1-CD1 3.64Å; V626-F752 HydrophobicContact CG1-CD2 3.95Å; V626-F752 HydrophobicContact CG1-CE1 3.88Å; V626-F752 HydrophobicContact CG1-CE2 4.19Å; V626-F752 HydrophobicContact CG1-CG 3.67Å; V626-F752 HydrophobicContact CG1-CZ 4.14Å; V626-F752 HydrophobicContact CG2-CD1 3.76Å; V626-F752 HydrophobicContact CG2-CE1 4.28Å; V626-F752 HydrophobicContact CG2-CG 4.33Å
627I90.6Very high84.9Confident77 Ų7756.1 Ų56.140%0.39531%0.305SS..EExtended strand (participates in β ladder)trans-122.8118.5-179.9-56.1170.4000107.6Y634 R635I627-Y634 CarbonylContact O-C 3.57Å; I627-Y634 WeakPolarHBondContact O-CA 3.49Å; I627-R635 HydrophobicContact CB-CB 4.3Å; I627-R635 PolarHBondContact N-O 3.26Å; I627-R635 PolarHBondContact O-N 3.45Å
628H90.9Very high86.4Confident83 Ų8352 Ų5238%0.38428%0.276SS..EExtended strand (participates in β ladder)trans-71.4128.7170.4179.7-126.5000109.7S631 Y634H628-S631 PolarHBondContact NE2-O 3.33Å; H628-Y634 HydrophobicContact CB-CD1 4.03Å; H628-Y634 HydrophobicContact CB-CE1 3.72Å; H628-Y634 AromaticContact CD2-CE1 3.6Å; H628-Y634 AromaticContact CD2-CE2 3.84Å; H628-Y634 AromaticContact CD2-CZ 3.42Å; H628-Y634 VanDerWaalsContact CD2-CZ 3.42Å; H628-Y634 AromaticContact CG-CE1 3.94Å
629I86.6Confident87.3Confident80 Ų8055.1 Ų55.141%0.4129%0.29SS..EExtended strand (participates in β ladder)trans-96.5-69.5179.4-62.4164.6000109.8N633 R635 V717I629-N633 PolarHBondContact N-O 3.46Å; I629-R635 HydrophobicContact CD1-CB 3.78Å; I629-R635 HydrophobicContact CG1-CB 4.13Å; I629-V717 HydrophobicContact CD1-CB 4.48Å; I629-V717 HydrophobicContact CD1-CG1 3.76Å; I629-V717 HydrophobicContact CD1-CG2 3.83Å
630D80.7Confident87.5Confident82 Ų8255.6 Ų55.644%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-158.5159.7-179.559.321.6000109.9L632 N633D630-L632 PolarHBondContact O-N 3.38Å; D630-N633 WeakPolarHBondContact O-CB 3.3Å; D630-N633 PolarHBondContact O-N 3.03Å; D630-N633 PolarHBondContact OD1-ND2 3.4Å
631S81.3Confident87Confident61 Ų6153.5 Ų53.543%0.42727%0.271SS..THydrogen-bonded Turntrans44.1-114.5177.7-520000112H628 I755H628-S631 PolarHBondContact NE2-O 3.33Å; S631-I755 VanDerWaalsContact O-CD1 3.24Å; S631-I755 WeakPolarHBondContact O-CD1 3.22Å; S631-I755 WeakPolarHBondContact O-CG1 3.3Å
632L87.2Confident85.6Confident17 Ų1760.1 Ų60.19%0.08930%0.304CS..THydrogen-bonded Turntrans-114.129.2177.3-69157.3000112.3D630 Q720 L721 P723 I755 M760D630-L632 PolarHBondContact O-N 3.38Å; L632-Q720 PolarHBondContact O-N 3.06Å; L632-L721 VanDerWaalsContact CB-O 3.22Å; L632-L721 WeakPolarHBondContact CB-O 3.31Å; L632-L721 VanDerWaalsContact CD1-O 3.25Å; L632-L721 WeakPolarHBondContact CD1-O 3.11Å; L632-L721 WeakPolarHBondContact CG-O 3.18Å; L632-L721 PolarHBondContact O-N 3.22Å; L632-P723 HydrophobicContact CD1-CB 4.19Å; L632-P723 HydrophobicContact CD1-CG 4.4Å; L632-P723 HydrophobicContact CD2-CB 3.92Å; L632-I755 HydrophobicContact CD2-CG1 4.41Å; L632-M760 HydrophobicContact CD1-CE 3.96Å; L632-M760 HydrophobicContact CD2-CE 4.31Å; L632-M760 HydrophobicContact CG-CE 3.67Å
633N90.2Very high84.1Confident22 Ų2258.6 Ų58.612%0.11829%0.294CS..EExtended strand (participates in β ladder)trans-104.8127.7179.7-55.6-37.2000110.7I629 D630 V717 L718 N719 Q720I629-N633 PolarHBondContact N-O 3.46Å; D630-N633 WeakPolarHBondContact O-CB 3.3Å; D630-N633 PolarHBondContact O-N 3.03Å; D630-N633 PolarHBondContact OD1-ND2 3.4Å; N633-V717 HydrophobicContact CB-CG1 4.48Å; N633-L718 CarbonylContact C-O 3.5Å; N633-L718 VanDerWaalsContact CA-O 3.3Å; N633-L718 WeakPolarHBondContact CA-O 3.31Å; N633-N719 WeakPolarHBondContact OD1-CA 3.27Å; N633-Q720 PolarHBondContact OD1-N 2.97Å
634Y91.9Very high82.2Confident9 Ų956.9 Ų56.94%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-128.3132-176.4-70.6-98.8000110.4V626 I627 H628 V717 L718 L721 F752 T754 I755V626-Y634 HydrophobicContact CG1-CD1 3.91Å; I627-Y634 CarbonylContact O-C 3.57Å; I627-Y634 WeakPolarHBondContact O-CA 3.49Å; H628-Y634 HydrophobicContact CB-CD1 4.03Å; H628-Y634 HydrophobicContact CB-CE1 3.72Å; H628-Y634 AromaticContact CD2-CE1 3.6Å; H628-Y634 AromaticContact CD2-CE2 3.84Å; H628-Y634 AromaticContact CD2-CZ 3.42Å; H628-Y634 VanDerWaalsContact CD2-CZ 3.42Å; H628-Y634 AromaticContact CG-CE1 3.94Å; Y634-V717 CarbonylContact O-C 3.58Å; Y634-V717 WeakPolarHBondContact O-CA 3.37Å; Y634-L718 PolarHBondContact N-O 2.97Å; Y634-L718 PolarHBondContact O-N 3.44Å; Y634-L721 HydrophobicContact CD2-CD1 3.83Å; Y634-L721 HydrophobicContact CG-CD1 4.41Å; Y634-F752 AromaticContact CD1-CD2 3.74Å; Y634-F752 HydrophobicContact CD1-CD2 3.74Å; Y634-F752 AromaticContact CD1-CE2 3.33Å; Y634-F752 HydrophobicContact CD1-CE2 3.33Å; Y634-F752 HydrophobicContact CD1-CZ 4.09Å; Y634-F752 AromaticContact CD2-CE2 3.75Å; Y634-F752 HydrophobicContact CD2-CE2 3.75Å; Y634-F752 HydrophobicContact CD2-CZ 4.35Å; Y634-F752 AromaticContact CE1-CD2 3.73Å; Y634-F752 HydrophobicContact CE1-CD2 3.73Å; Y634-F752 AromaticContact CE1-CE2 3.64Å; Y634-F752 HydrophobicContact CE1-CE2 3.64Å; Y634-F752 HydrophobicContact CE2-CE2 4.05Å; Y634-F752 HydrophobicContact CG-CD2 4.27Å; Y634-F752 AromaticContact CG-CE2 3.4Å; Y634-F752 HydrophobicContact CG-CE2 3.4Å; Y634-F752 AromaticContact CG-CZ 3.86Å; Y634-F752 HydrophobicContact CG-CZ 3.86Å; Y634-F752 AromaticContact CZ-CE2 4Å; Y634-T754 HydrophobicContact CD2-CG2 4.42Å; Y634-T754 HydrophobicContact CE2-CG2 3.78Å; Y634-T754 VanDerWaalsContact OH-CA 3.27Å; Y634-T754 WeakPolarHBondContact OH-CA 3.44Å; Y634-I755 PolarHBondContact OH-N 3.08Å
635R93.2Very high80Confident94 Ų9462.6 Ų62.636%0.35532%0.323SS..EExtended strand (participates in β ladder)trans-92.4124.8170.9174.8178.6-77.6-174.8-5.4109.7I627 I629 W715 I716 V717I627-R635 HydrophobicContact CB-CB 4.3Å; I627-R635 PolarHBondContact N-O 3.26Å; I627-R635 PolarHBondContact O-N 3.45Å; I629-R635 HydrophobicContact CD1-CB 3.78Å; I629-R635 HydrophobicContact CG1-CB 4.13Å; R635-W715 HydrophobicContact CG-CB 4.39Å; R635-I716 CarbonylContact C-O 3.49Å; R635-I716 WeakPolarHBondContact CA-O 3.36Å; R635-V717 HydrophobicContact CB-CG2 4.27Å
636I93.3Very high77.5Confident0 Ų061.8 Ų61.80%032%0.322CS..EExtended strand (participates in β ladder)trans-99.4125.6168-45.3-60.6000107.2V624 Q625 V626 W638 W715 I716 L718 V729 V731 F752V624-I636 HydrophobicContact CG1-CG2 3.89Å; Q625-I636 WeakPolarHBondContact O-CA 3.38Å; V626-I636 HydrophobicContact CB-CD1 4.25Å; V626-I636 HydrophobicContact CG1-CD1 3.92Å; V626-I636 HydrophobicContact CG2-CD1 3.77Å; I636-W638 HydrophobicContact CG2-CE3 4.31Å; I636-W638 HydrophobicContact CG2-CZ3 4.29Å; I636-W715 CarbonylContact O-C 3.57Å; I636-W715 WeakPolarHBondContact O-CA 3.3Å; I636-W715 WeakPolarHBondContact O-CB 3.39Å; I636-I716 HydrophobicContact CB-CG2 3.88Å; I636-I716 HydrophobicContact CG1-CG2 4.27Å; I636-I716 PolarHBondContact N-O 3.32Å; I636-I716 PolarHBondContact O-N 3.01Å; I636-L718 HydrophobicContact CD1-CD1 4.05Å; I636-L718 HydrophobicContact CG1-CD1 3.74Å; I636-L718 HydrophobicContact CG1-CG 3.92Å; I636-V729 HydrophobicContact CD1-CG2 4.09Å; I636-V729 HydrophobicContact CG1-CG1 4.31Å; I636-V729 HydrophobicContact CG1-CG2 4.42Å; I636-V729 HydrophobicContact CG2-CG1 4.19Å; I636-V731 HydrophobicContact CG2-CG2 4.4Å; I636-F752 HydrophobicContact CD1-CE1 3.9Å; I636-F752 HydrophobicContact CD1-CZ 4.42Å
637S92.6Very high74.7Confident22 Ų2267.3 Ų67.315%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-131.5144.1179.156.40000111.2V624 Q625 T714V624-S637 CarbonylContact C-O 3.56Å; V624-S637 WeakPolarHBondContact CA-O 3.48Å; Q625-S637 PolarHBondContact N-O 3.06Å; Q625-S637 PolarHBondContact O-N 3.28Å; S637-T714 CarbonylContact C-O 3.58Å; S637-T714 WeakPolarHBondContact CA-O 3.46Å
638W91.4Very high72.1Confident7 Ų767.9 Ų67.93%0.02735%0.349CS..EExtended strand (participates in β ladder)trans-137.2170.1177.35693.7000110.8P621 V624 I636 Y672 V674 I709 T714 I716 V731P621-W638 HydrophobicContact CB-CB 4.02Å; P621-W638 HydrophobicContact CB-CG 3.98Å; V624-W638 HydrophobicContact CG2-CB 3.99Å; I636-W638 HydrophobicContact CG2-CE3 4.31Å; I636-W638 HydrophobicContact CG2-CZ3 4.29Å; W638-Y672 AromaticContact CD1-CE1 3.97Å; W638-Y672 AromaticContact CE2-CD2 3.93Å; W638-Y672 AromaticContact CE2-CG 3.77Å; W638-Y672 AromaticContact CZ2-CD2 3.89Å; W638-Y672 HydrophobicContact CZ2-CD2 3.89Å; W638-Y672 AromaticContact CZ2-CG 3.86Å; W638-Y672 HydrophobicContact CZ2-CG 3.86Å; W638-Y672 AromaticContact NE1-CD1 3.34Å; W638-Y672 VanDerWaalsContact NE1-CD1 3.34Å; W638-Y672 AromaticContact NE1-CD2 3.37Å; W638-Y672 AromaticContact NE1-CE1 3.53Å; W638-Y672 AromaticContact NE1-CE2 3.56Å; W638-Y672 AromaticContact NE1-CG 3.25Å; W638-Y672 AromaticContact NE1-CZ 3.64Å; W638-V674 HydrophobicContact CH2-CG2 3.64Å; W638-V674 HydrophobicContact CZ2-CG2 4.25Å; W638-V674 HydrophobicContact CZ3-CG2 3.92Å; W638-I709 HydrophobicContact CH2-CD1 3.43Å; W638-I709 VanDerWaalsContact CH2-CD1 3.43Å; W638-I709 HydrophobicContact CZ2-CD1 3.94Å; W638-T714 PolarHBondContact N-O 3.27Å; W638-T714 WeakPolarHBondContact O-CB 3.48Å; W638-T714 PolarHBondContact O-OG1 3.21Å; W638-T714 VanDerWaalsContact O-OG1 3.13Å; W638-I716 HydrophobicContact CH2-CB 4.48Å; W638-I716 HydrophobicContact CH2-CG2 4.24Å; W638-I716 HydrophobicContact CZ3-CG2 4.03Å; W638-V731 HydrophobicContact CD2-CG1 3.76Å; W638-V731 HydrophobicContact CE3-CG1 3.96Å; W638-V731 HydrophobicContact CE3-CG2 4.23Å; W638-V731 HydrophobicContact CG-CG1 4.14Å; W638-V731 HydrophobicContact CZ2-CG1 4.49Å; W638-V731 HydrophobicContact CZ3-CG1 4.44Å
639I85.4Confident69.3Low89 Ų8968.1 Ų68.146%0.45636%0.357SS..EExtended strand (participates in β ladder)trans-103.1131.3173.1-57.7-177.4000108.4T622 K623T622-I639 PolarHBondContact N-O 2.94Å; T622-I639 VanDerWaalsContact N-O 3.1Å; T622-I639 WeakPolarHBondContact O-CB 3.44Å; T622-I639 PolarHBondContact O-N 3.09Å; K623-I639 HydrophobicContact CB-CD1 3.93Å; K623-I639 HydrophobicContact CB-CG1 4.19Å; K623-I639 HydrophobicContact CD-CD1 3.72Å; K623-I639 HydrophobicContact CG-CD1 4.13Å
640K79.8Confident66.6Low67 Ų6774.2 Ų74.229%0.29138%0.375SS..PPolyproline II helixtrans-54133.8173.1172.4169.8-179.4-165.50110.1M642 Y672 Q711 T714K640-M642 PolarHBondContact O-N 3.01Å; K640-Y672 WeakPolarHBondContact CA-OH 3.48Å; K640-Y672 WeakPolarHBondContact CB-OH 3.47Å; K640-Y672 WeakPolarHBondContact CG-OH 3.45Å; K640-Q711 HydrophobicContact CD-CG 4.38Å; K640-T714 HydrophobicContact CB-CG2 4.2Å
641P70.1Confident64.3Low9 Ų977.4 Ų77.46%0.05839%0.392CS..PPolyproline II helixtrans-60.5136.1174.4-11.721000110.7S619 T643 T733S619-P641 WeakPolarHBondContact O-CB 3.36Å; S619-P641 WeakPolarHBondContact O-CG 3.48Å; S619-P641 WeakPolarHBondContact OG-CB 3.48Å; P641-T643 PolarHBondContact O-N 3.49Å; P641-T733 HydrophobicContact CG-CG2 4.23Å; P641-T733 WeakPolarHBondContact CG-OG1 3.08Å
642M54.2Low62Low142 Ų14278.5 Ų78.570%0.740%0.396SS*.PPolyproline II helixtrans-65117.5169.7-76.5-168.9170.800108.7K640K640-M642 PolarHBondContact O-N 3.01Å
643T51.5Low59.3Low49 Ų4985 Ų8530%0.30143%0.431SS..PPolyproline II helixtrans-72.3140.4171.353.60000108.3P641 M645 D646P641-T643 PolarHBondContact O-N 3.49Å; T643-M645 PolarHBondContact O-N 3.06Å; T643-M645 VanDerWaalsContact O-N 3.11Å; T643-D646 PolarHBondContact O-N 3.25Å
644T44.9Very low56.5Low109 Ų10992.9 Ų92.967%0.66946%0.464SS*.Hα-helixtrans-60.2-20177.435.90000113.2K647T644-K647 PolarHBondContact O-N 3.35Å
645M41.8Very low53.7Low142 Ų142100.2 Ų100.270%0.750%0.498SS*.Hα-helixtrans-66.7-34172.2-79.5-74137.800113.1T643 K647 V648 T649T643-M645 PolarHBondContact O-N 3.06Å; T643-M645 VanDerWaalsContact O-N 3.11Å; M645-K647 VanDerWaalsContact C-N 3.26Å; M645-K647 PolarHBondContact O-N 2.64Å; M645-V648 PolarHBondContact O-N 3.28Å; M645-T649 PolarHBondContact O-N 2.99Å; M645-T649 PolarHBondContact O-OG1 3.06Å
646D38.4Very low50.5Low93 Ų93100.9 Ų100.950%0.49752%0.517SS..Hα-helixtrans-73.1-19176.1-76.8-16.2000112.6T643T643-D646 PolarHBondContact O-N 3.25Å
647K33.6Very low47.5Very low159 Ų159105.8 Ų105.869%0.69155%0.551SS**Hα-helixtrans-73.1-29.7171.4-90.2-172.9176-1790112.4T644 M645T644-K647 PolarHBondContact O-N 3.35Å; M645-K647 VanDerWaalsContact C-N 3.26Å; M645-K647 PolarHBondContact O-N 2.64Å
648V34.9Very low44.5Very low89 Ų89113.2 Ų113.254%0.53959%0.589SS.*Hα-helixtrans-80.4-32.3178.7-177.30000110.8M645 R650 D651 V652M645-V648 PolarHBondContact O-N 3.28Å; V648-R650 VanDerWaalsContact C-N 3.32Å; V648-R650 PolarHBondContact O-N 2.96Å; V648-D651 PolarHBondContact O-N 3.44Å; V648-V652 HydrophobicContact CG1-CG2 4.49Å; V648-V652 WeakPolarHBondContact O-CG2 3.37Å
649T31.7Very low41.4Very low88 Ų88118.3 Ų118.354%0.5463%0.625SS.*Hα-helixtrans-72.6-21.7-178.2-10.90000113.9M645 D651M645-T649 PolarHBondContact O-N 2.99Å; M645-T649 PolarHBondContact O-OG1 3.06Å; T649-D651 VanDerWaalsContact C-N 3.34Å
650R30.3Very low38.7Very low209 Ų209119.5 Ų119.579%0.78964%0.641SS**THydrogen-bonded Turntrans-78.3-14.4177.2-75.4-168.6-170.8-173.52.9114.9V648V648-R650 VanDerWaalsContact C-N 3.32Å; V648-R650 PolarHBondContact O-N 2.96Å
651D32Very low36.2Very low149 Ų149121.7 Ų121.780%0.79767%0.665SS**THydrogen-bonded Turntrans-105.74.5-179.7-135-0.3000113.5V648 T649V648-D651 PolarHBondContact O-N 3.44Å; T649-D651 VanDerWaalsContact C-N 3.34Å
652V33.2Very low34.4Very low83 Ų83126.9 Ų126.950%0.50370%0.696SS.*  trans-112.13.3-176.7-174.90000113.5V648 K654 H655V648-V652 HydrophobicContact CG1-CG2 4.49Å; V648-V652 WeakPolarHBondContact O-CG2 3.37Å; V652-K654 PolarHBondContact O-N 3.45Å; V652-H655 PolarHBondContact O-N 3.39Å
653D31Very low33.2Very low154 Ų154128 Ų12882%0.82471%0.705SS**THydrogen-bonded Turntrans-69.916.9171.9-86.4-21.6000114.6
654K31.4Very low32.1Very low187 Ų187135.2 Ų135.281%0.81373%0.732SS**THydrogen-bonded Turntrans-118.11.7168.8-93.7-175.3178.2178.30116.3V652V652-K654 PolarHBondContact O-N 3.45Å
655H32.8Very low31.7Very low164 Ų164137 Ų13776%0.75974%0.736SS**  trans-124.695.8170.7-73.2-66.8000111.4V652V652-H655 PolarHBondContact O-N 3.39Å
656S26.7Very low31.5Very low108 Ų108137.9 Ų137.976%0.75574%0.744SS**  trans-48.3158.7165.8420000113.9
657S30Very low32Very low102 Ų102135.5 Ų135.571%0.71374%0.741SS**  trans71.871.8165.466.10000117.3
658L30.6Very low33.1Very low179 Ų179131.5 Ų131.594%0.93773%0.728SS**  trans-155.545.8139.1-125.690.3000111
659S25.4Very low34.5Very low114 Ų114129.9 Ų129.980%0.79772%0.72SS**  trans-93100.5171.368.80000109.9
660S27.9Very low36.6Very low114 Ų114126.2 Ų126.280%0.79770%0.698SS**SBendtrans-167-11.7151.125.70000116.6
661S27.6Very low39.2Very low113 Ų113117.4 Ų117.479%0.7967%0.665SS**SBendtrans-132.63.4-169.1-46.90000117.8
662V31.7Very low41.7Very low117 Ų117110.3 Ų110.371%0.70963%0.627SS**  trans-102.43.5-176.9-171.20000113.6K664V662-K664 PolarHBondContact O-N 3.26Å
663N29.4Very low44.2Very low166 Ų166108.8 Ų108.889%0.88861%0.612SS**THydrogen-bonded Turntrans-76.735.2-174.7-85-3.9000116.1
664K29.6Very low46.9Very low201 Ų201101.4 Ų101.487%0.87457%0.573SS**THydrogen-bonded Turntrans-143.315.6175.8-114.1177.9-174-179.40117.9V662V662-K664 PolarHBondContact O-N 3.26Å
665I34.8Very low49.4Very low145 Ų14594.2 Ų94.274%0.74454%0.543SS*.  trans-10759.1175.3-43177000110
666N39.1Very low52.2Low161 Ų16187.9 Ų87.986%0.86151%0.512SS*.  trans-103.134.5-177.6-14826.2000112.7
667G47.9Very low55.3Low43 Ų4382.7 Ų82.744%0.44348%0.476SS..  trans-89.93-171.300000116.1
668N57.4Low58.2Low76 Ų7678.2 Ų78.241%0.40644%0.444SS..  trans-90.7119.8178.5-65.7-17.8000109.4F735 I736 Y738N668-F735 HydrophobicContact CB-CE2 3.87Å; N668-F735 HydrophobicContact CB-CZ 3.65Å; N668-I736 WeakPolarHBondContact CA-O 3.33Å; N668-Y738 PolarHBondContact OD1-N 2.99Å
669S64.9Low61Low55 Ų5572.9 Ų72.939%0.38541%0.412SS..EExtended strand (participates in β ladder)trans-107.7120.3-180-63.50000110I736S669-I736 PolarHBondContact N-O 3.38Å; S669-I736 PolarHBondContact O-N 2.04Å
670T75.2Confident63.9Low11 Ų1170.2 Ų70.27%0.06739%0.388CS..EExtended strand (participates in β ladder)trans-90.1133.2168.3-54.80000109Y672 Q711 T733 L734T670-Y672 HydrophobicContact CG2-CE1 4.47Å; T670-Q711 WeakPolarHBondContact O-CA 3.47Å; T670-Q711 WeakPolarHBondContact O-CB 3.48Å; T670-Q711 PolarHBondContact O-N 3.48Å; T670-T733 HydrophobicContact CG2-CG2 3.55Å; T670-L734 CarbonylContact C-O 3.56Å; T670-L734 WeakPolarHBondContact CA-O 3.37Å
671K84.1Confident66.3Low23 Ų2373.4 Ų73.410%0.139%0.39CS..EExtended strand (participates in β ladder)trans-131.5168177-61.8-178.7-178.7161.50109.2Y369 V708 I709 D710 L734 I736Y369-K671 WeakPolarHBondContact OH-CD 3.44Å; Y369-K671 WeakPolarHBondContact OH-CE 3.46Å; Y369-K671 PolarHBondContact OH-NZ 2.03Å; K671-V708 HydrophobicContact CB-CG1 4.11Å; K671-V708 HydrophobicContact CD-CG1 4.34Å; K671-I709 CarbonylContact C-O 3.5Å; K671-I709 VanDerWaalsContact CA-O 3.29Å; K671-I709 WeakPolarHBondContact CA-O 3.25Å; K671-I709 WeakPolarHBondContact CB-O 3.21Å; K671-D710 VanDerWaalsContact CE-OD1 3.23Å; K671-D710 WeakPolarHBondContact CE-OD1 3.22Å; K671-L734 HydrophobicContact CB-CB 4.2Å; K671-L734 PolarHBondContact N-O 3.17Å; K671-L734 PolarHBondContact O-N 3.08Å; K671-I736 HydrophobicContact CD-CD1 3.76Å
672Y84.1Confident68.5Low0 Ų069.3 Ų69.30%036%0.358CS..EExtended strand (participates in β ladder)trans-124.4126.5177.8-54.7-74.9000110.3P621 W638 K640 T670 V708 I709 T714 Q732 T733P621-Y672 HydrophobicContact CG-CD1 4.01Å; P621-Y672 HydrophobicContact CG-CE1 4.24Å; W638-Y672 AromaticContact CD1-CE1 3.97Å; W638-Y672 AromaticContact CE2-CD2 3.93Å; W638-Y672 AromaticContact CE2-CG 3.77Å; W638-Y672 AromaticContact CZ2-CD2 3.89Å; W638-Y672 HydrophobicContact CZ2-CD2 3.89Å; W638-Y672 AromaticContact CZ2-CG 3.86Å; W638-Y672 HydrophobicContact CZ2-CG 3.86Å; W638-Y672 AromaticContact NE1-CD1 3.34Å; W638-Y672 VanDerWaalsContact NE1-CD1 3.34Å; W638-Y672 AromaticContact NE1-CD2 3.37Å; W638-Y672 AromaticContact NE1-CE1 3.53Å; W638-Y672 AromaticContact NE1-CE2 3.56Å; W638-Y672 AromaticContact NE1-CG 3.25Å; W638-Y672 AromaticContact NE1-CZ 3.64Å; K640-Y672 WeakPolarHBondContact CA-OH 3.48Å; K640-Y672 WeakPolarHBondContact CB-OH 3.47Å; K640-Y672 WeakPolarHBondContact CG-OH 3.45Å; T670-Y672 HydrophobicContact CG2-CE1 4.47Å; Y672-V708 CarbonylContact O-C 3.55Å; Y672-V708 VanDerWaalsContact O-CA 3.31Å; Y672-V708 WeakPolarHBondContact O-CA 3.42Å; Y672-I709 PolarHBondContact N-O 3.08Å; Y672-I709 PolarHBondContact O-N 3.14Å; Y672-T714 HydrophobicContact CE2-CG2 4.14Å; Y672-Q732 CarbonylContact C-O 3.57Å; Y672-Q732 WeakPolarHBondContact CA-O 3.46Å; Y672-T733 HydrophobicContact CE1-CG2 4.33Å
673R86.1Confident70.7Confident51 Ų5170.2 Ų70.219%0.19237%0.366CS..EExtended strand (participates in β ladder)trans-92.1120.9168.3-174.9-174.6-67.5145.50.6107.9I706 V708 V731 Q732 L734 E744R673-I706 HydrophobicContact CG-CG2 3.88Å; R673-V708 HydrophobicContact CB-CG2 4.49Å; R673-V708 HydrophobicContact CG-CG2 4.39Å; R673-V731 CarbonylContact O-C 3.52Å; R673-V731 WeakPolarHBondContact O-CA 3.14Å; R673-Q732 HydrophobicContact CB-CB 4.36Å; R673-Q732 PolarHBondContact N-O 3.45Å; R673-Q732 PolarHBondContact O-N 3.31Å; R673-L734 HydrophobicContact CB-CD1 4.01Å; R673-L734 HydrophobicContact CB-CD2 4.5Å; R673-L734 HydrophobicContact CB-CG 4.22Å; R673-E744 IonicContact CZ-OE1 2.73Å; R673-E744 IonicContact CZ-OE2 3.6Å; R673-E744 IonicContact NH1-OE1 3.9Å; R673-E744 PolarHBondContact NH1-OE1 2.98Å; R673-E744 IonicContact NH1-OE2 3.71Å; R673-E744 PolarHBondContact NH1-OE2 3.15Å; R673-E744 IonicContact NH2-OE1 2.69Å; R673-E744 PolarHBondContact NH2-OE1 2.87Å; R673-E744 IonicContact NH2-OE2 3.41Å
674V87.3Confident72.8Confident0 Ų063.9 Ų63.90%033%0.334CS..EExtended strand (participates in β ladder)trans-113.1124.3173.5-172.10000108.3W638 W676 I706 K707 I709 I716 V729 H730 V731W638-V674 HydrophobicContact CH2-CG2 3.64Å; W638-V674 HydrophobicContact CZ2-CG2 4.25Å; W638-V674 HydrophobicContact CZ3-CG2 3.92Å; V674-W676 HydrophobicContact CG1-CE3 4.17Å; V674-I706 CarbonylContact O-C 3.54Å; V674-I706 WeakPolarHBondContact O-CA 3.2Å; V674-K707 PolarHBondContact N-O 3.47Å; V674-K707 PolarHBondContact O-N 3.08Å; V674-I709 HydrophobicContact CB-CD1 4.38Å; V674-I709 HydrophobicContact CG2-CD1 3.54Å; V674-I716 HydrophobicContact CG1-CG2 4.1Å; V674-I716 HydrophobicContact CG2-CG2 4.32Å; V674-V729 HydrophobicContact CG1-CG1 3.68Å; V674-H730 WeakPolarHBondContact CA-O 3.29Å; V674-V731 HydrophobicContact CG1-CG2 4.36Å; V674-V731 HydrophobicContact CG2-CG1 4.18Å; V674-V731 HydrophobicContact CG2-CG2 4.39Å
675M84.8Confident75Confident36 Ų3659.1 Ų59.118%0.17732%0.318CS..EExtended strand (participates in β ladder)trans-127.5137.6176.854.6-173.2-85.200109.8M699 I704 D705 I706 V729 H730M675-M699 HydrophobicContact CE-SD 4.13Å; M675-I704 HydrophobicContact CB-CD1 4.22Å; M675-I704 HydrophobicContact CE-CD1 3.47Å; M675-I704 VanDerWaalsContact CE-CD1 3.47Å; M675-D705 CarbonylContact C-O 3.53Å; M675-D705 VanDerWaalsContact CA-O 3.25Å; M675-D705 WeakPolarHBondContact CA-O 3.12Å; M675-I706 HydrophobicContact CB-CB 4.38Å; M675-I706 HydrophobicContact CB-CG1 3.82Å; M675-I706 HydrophobicContact CB-CG2 4.3Å; M675-V729 CarbonylContact O-C 3.55Å; M675-V729 WeakPolarHBondContact O-CA 3.41Å; M675-H730 HydrophobicContact CG-CB 3.65Å; M675-H730 PolarHBondContact N-O 2.61Å; M675-H730 PolarHBondContact O-N 2.99Å; M675-H730 HydrophobicContact SD-CB 4.26Å
676W91.4Very high76.7Confident30 Ų3056 Ų5611%0.11430%0.3CS..EExtended strand (participates in β ladder)trans-143.1146.1-17867.292.1000111.6V674 D705 K707 I716 L718 I728 V729V674-W676 HydrophobicContact CG1-CE3 4.17Å; W676-D705 HydrophobicContact CD2-CB 3.91Å; W676-D705 HydrophobicContact CE3-CB 4.41Å; W676-D705 HydrophobicContact CG-CB 4.48Å; W676-D705 HydrophobicContact CH2-CB 3.92Å; W676-D705 HydrophobicContact CZ2-CB 3.34Å; W676-D705 HydrophobicContact CZ3-CB 4.41Å; W676-D705 PolarHBondContact N-O 3.32Å; W676-D705 PolarHBondContact O-N 3.32Å; W676-K707 HydrophobicContact CH2-CB 4.14Å; W676-K707 HydrophobicContact CZ3-CB 3.92Å; W676-I716 HydrophobicContact CH2-CD1 4.15Å; W676-I716 HydrophobicContact CZ3-CD1 3.92Å; W676-L718 HydrophobicContact CB-CD1 4.15Å; W676-L718 HydrophobicContact CD2-CD1 4.15Å; W676-L718 HydrophobicContact CD2-CD2 3.51Å; W676-L718 HydrophobicContact CD2-CG 4.44Å; W676-L718 HydrophobicContact CE3-CD2 3.64Å; W676-L718 HydrophobicContact CG-CD1 3.85Å; W676-L718 HydrophobicContact CG-CD2 4.13Å; W676-L718 HydrophobicContact CH2-CD2 3.95Å; W676-L718 HydrophobicContact CZ2-CD2 3.83Å; W676-L718 HydrophobicContact CZ3-CD2 3.87Å; W676-I728 WeakPolarHBondContact CA-O 3.48Å; W676-I728 WeakPolarHBondContact CB-O 3.4Å; W676-V729 HydrophobicContact CB-CB 4.42Å; W676-V729 HydrophobicContact CB-CG1 4.41Å; W676-V729 HydrophobicContact CB-CG2 3.87Å
677A91.4Very high78.4Confident0 Ų053.3 Ų53.30%029%0.294CS..EExtended strand (participates in β ladder)trans-158.1163.3170.700000110.3M699 D700 I704 Y727 I728A677-M699 HydrophobicContact CB-CG 3.13Å; A677-M699 HydrophobicContact CB-SD 3.61Å; A677-D700 WeakPolarHBondContact CB-O 3.33Å; A677-I704 HydrophobicContact CB-CB 4.02Å; A677-I704 HydrophobicContact CB-CG1 4.31Å; A677-Y727 VanDerWaalsContact C-CD1 3.45Å; A677-I728 PolarHBondContact N-O 2.94Å; A677-I728 VanDerWaalsContact N-O 3.14Å; A677-I728 PolarHBondContact O-N 2.66Å
678P91.9Very high79.9Confident7 Ų757 Ų575%0.04530%0.301CS..EExtended strand (participates in β ladder)trans-64.8157169.829-34.8000111.3D700 Q703 T725 L726 Y727P678-D700 WeakPolarHBondContact O-CB 3.08Å; P678-D700 PolarHBondContact O-N 3.26Å; P678-Q703 HydrophobicContact CG-CB 3.74Å; P678-Q703 HydrophobicContact CG-CG 4.32Å; P678-T725 HydrophobicContact CB-CG2 3.65Å; P678-L726 CarbonylContact C-O 3.44Å; P678-L726 WeakPolarHBondContact CA-O 3.46Å; P678-Y727 HydrophobicContact CB-CE1 4.4Å
679R88.1Confident80.8Confident68 Ų6854.4 Ų54.426%0.25729%0.286SS..BIsolated β-bridgetrans-61.5136.7173.2-167.4-166.137.3177.20.8110.8V684 Y689 P697 I698 L726 I728R679-V684 PolarHBondContact NH1-O 3.35Å; R679-Y689 WeakPolarHBondContact CD-OH 3.49Å; R679-Y689 PolarHBondContact NH1-OH 2.92Å; R679-P697 HydrophobicContact CG-CB 4.09Å; R679-I698 WeakPolarHBondContact CA-O 3.08Å; R679-L726 HydrophobicContact CB-CB 4.18Å; R679-L726 HydrophobicContact CB-CD2 4.14Å; R679-L726 HydrophobicContact CB-CG 4.2Å; R679-L726 HydrophobicContact CG-CD2 4.24Å; R679-L726 PolarHBondContact N-O 3.06Å; R679-I728 VanDerWaalsContact CA-CD1 3.44Å; R679-I728 HydrophobicContact CB-CD1 3.74Å; R679-I728 HydrophobicContact CG-CD1 4.13Å
680I86.4Confident81.2Confident58 Ų5854.7 Ų54.730%0.29728%0.283SS..PPolyproline II helixtrans-64.8155.1167-160.4168.3000110.3E682 I698 D700I680-E682 HydrophobicContact CG2-CG 3.79Å; I680-E682 PolarHBondContact O-N 3.11Å; I680-E682 VanDerWaalsContact O-N 3.09Å; I680-I698 HydrophobicContact CG2-CB 3.82Å; I680-I698 HydrophobicContact CG2-CG2 4.05Å; I680-I698 PolarHBondContact N-O 2.95Å; I680-D700 HydrophobicContact CB-CB 4.1Å; I680-D700 HydrophobicContact CG1-CB 4.46Å
681H80Confident80.9Confident180 Ų18057.8 Ų57.883%0.83330%0.299SS*.  trans-68.8112.8176.8-175.764.7000110.1
682E73.1Confident80Confident28 Ų2865.5 Ų65.513%0.13134%0.336CS..  trans-121.6146.6176.2-62.9172.7-12900109.5I680 V684 Y689 I698I680-E682 HydrophobicContact CG2-CG 3.79Å; I680-E682 PolarHBondContact O-N 3.11Å; I680-E682 VanDerWaalsContact O-N 3.09Å; E682-V684 HydrophobicContact CB-CG2 3.89Å; E682-V684 PolarHBondContact O-N 3.17Å; E682-Y689 PolarHBondContact OE1-OH 3.08Å; E682-Y689 PolarHBondContact OE2-OH 3.38Å; E682-I698 WeakPolarHBondContact OE1-CB 3.05Å; E682-I698 PolarHBondContact OE1-N 3.36Å
683P77.2Confident79.2Confident135 Ų13571.7 Ų71.788%0.87737%0.367SS*.SBendtrans-77.932.9-179.535.4-37.7000112.8
684V75.1Confident78Confident33 Ų3372.2 Ų72.220%0.239%0.389CS..SBendtrans-129140.4-178.6-64.80000110.8R679 E682 M688 Y689 F695R679-V684 PolarHBondContact NH1-O 3.35Å; E682-V684 HydrophobicContact CB-CG2 3.89Å; E682-V684 PolarHBondContact O-N 3.17Å; V684-M688 HydrophobicContact CB-SD 4.34Å; V684-M688 HydrophobicContact CG1-SD 4.4Å; V684-Y689 HydrophobicContact CG2-CE1 3.89Å; V684-Y689 WeakPolarHBondContact CG2-OH 3.48Å; V684-F695 HydrophobicContact CG1-CE1 4.35Å; V684-F695 HydrophobicContact CG1-CZ 4.12Å; V684-F695 HydrophobicContact CG2-CE1 4.28Å; V684-F695 HydrophobicContact CG2-CZ 4.36Å
685D74.5Confident77.1Confident102 Ų10276.3 Ų76.355%0.54541%0.407SS..  trans-68.6149.2174.7-160.7-74.7000110S687 M688D685-S687 PolarHBondContact O-N 3.28Å; D685-S687 PolarHBondContact OD1-N 2.91Å; D685-S687 PolarHBondContact OD1-OG 3.04Å; D685-M688 WeakPolarHBondContact O-CB 3.42Å; D685-M688 PolarHBondContact O-N 3.34Å
686E70.9Confident76.8Confident80 Ų8077 Ų7737%0.37442%0.415SS..G310 helixtrans-55.5-32.9174.1177.3178.7173.300111.7M688 Y689 L726 T753E686-M688 PolarHBondContact O-N 2.93Å; E686-M688 VanDerWaalsContact O-N 3.15Å; E686-Y689 VanDerWaalsContact O-CD2 3.3Å; E686-Y689 WeakPolarHBondContact O-CD2 3.26Å; E686-Y689 PolarHBondContact O-N 2.98Å; E686-L726 HydrophobicContact CB-CD2 4.44Å; E686-L726 HydrophobicContact CG-CD1 4.44Å; E686-L726 HydrophobicContact CG-CD2 4.04Å; E686-T753 PolarHBondContact OE1-OG1 3.16Å; E686-T753 PolarHBondContact OE2-OG1 3.43Å
687S75.7Confident76.4Confident104 Ų10476.1 Ų76.173%0.72741%0.413SS*.G310 helixtrans-68.5-9.2178.676.40000114.4D685D685-S687 PolarHBondContact O-N 3.28Å; D685-S687 PolarHBondContact OD1-N 2.91Å; D685-S687 PolarHBondContact OD1-OG 3.04Å
688M78.3Confident76Confident120 Ų12080.9 Ų80.959%0.59144%0.437SS*.G310 helixtrans-88.6-12.3178.7-71.1-169.8166.500113.7V684 D685 E686V684-M688 HydrophobicContact CB-SD 4.34Å; V684-M688 HydrophobicContact CG1-SD 4.4Å; D685-M688 WeakPolarHBondContact O-CB 3.42Å; D685-M688 PolarHBondContact O-N 3.34Å; E686-M688 PolarHBondContact O-N 2.93Å; E686-M688 VanDerWaalsContact O-N 3.15Å
689Y77.1Confident75.5Confident21 Ų2181.1 Ų81.18%0.08244%0.438CS..  trans-69.3134.9-179.8-64.1-54.8000111.8R679 E682 V684 E686 F695 P697 L726R679-Y689 WeakPolarHBondContact CD-OH 3.49Å; R679-Y689 PolarHBondContact NH1-OH 2.92Å; E682-Y689 PolarHBondContact OE1-OH 3.08Å; E682-Y689 PolarHBondContact OE2-OH 3.38Å; V684-Y689 HydrophobicContact CG2-CE1 3.89Å; V684-Y689 WeakPolarHBondContact CG2-OH 3.48Å; E686-Y689 VanDerWaalsContact O-CD2 3.3Å; E686-Y689 WeakPolarHBondContact O-CD2 3.26Å; E686-Y689 PolarHBondContact O-N 2.98Å; Y689-F695 CarbonylContact C-O 3.59Å; Y689-F695 WeakPolarHBondContact CA-O 3.42Å; Y689-F695 HydrophobicContact CD1-CD1 4Å; Y689-F695 HydrophobicContact CD1-CE1 4.13Å; Y689-F695 HydrophobicContact CE1-CE1 4.22Å; Y689-P697 HydrophobicContact CD1-CB 4.33Å; Y689-P697 HydrophobicContact CD2-CB 4.11Å; Y689-P697 HydrophobicContact CD2-CG 4.25Å; Y689-P697 HydrophobicContact CE1-CB 3.99Å; Y689-P697 HydrophobicContact CE2-CB 3.73Å; Y689-P697 HydrophobicContact CE2-CG 4.37Å; Y689-P697 HydrophobicContact CG-CB 4.41Å; Y689-P697 HydrophobicContact CG-CG 4.4Å; Y689-L726 HydrophobicContact CD2-CD2 4.38Å; Y689-L726 HydrophobicContact CE2-CD2 3.88Å
690N72.9Confident75.2Confident61 Ų6178.1 Ų78.133%0.32643%0.427SS..BIsolated β-bridgetrans-149.8104.5177.8-179.2-7.5000109.5E692 I693 G694 F695N690-E692 PolarHBondContact O-N 2.94Å; N690-E692 VanDerWaalsContact OD1-CB 3.32Å; N690-E692 WeakPolarHBondContact OD1-CB 3.27Å; N690-E692 PolarHBondContact OD1-N 3.22Å; N690-I693 HydrophobicContact CB-CD1 4.1Å; N690-I693 HydrophobicContact CB-CG1 3.81Å; N690-I693 WeakPolarHBondContact O-CG1 3.18Å; N690-I693 PolarHBondContact O-N 3.02Å; N690-G694 PolarHBondContact O-N 3.04Å; N690-F695 CarbonylContact C-O 3.59Å; N690-F695 PolarHBondContact N-O 3.49Å; N690-F695 PolarHBondContact O-N 3.41Å
691D67.9Low74.7Confident77 Ų7781.1 Ų81.141%0.41244%0.443SS..G310 helixtrans-65.6-24.8-178.8-61-43.6000112.9I693 G694 S696 Y751D691-I693 VanDerWaalsContact C-N 3.3Å; D691-I693 PolarHBondContact O-N 3.3Å; D691-G694 PolarHBondContact O-N 2.81Å; D691-G694 VanDerWaalsContact O-N 3.1Å; D691-S696 VanDerWaalsContact OD1-CB 3.31Å; D691-S696 WeakPolarHBondContact OD1-CB 3.24Å; D691-S696 PolarHBondContact OD1-OG 2.91Å; D691-Y751 VanDerWaalsContact CG-OH 3.26Å; D691-Y751 WeakPolarHBondContact OD1-CE1 3.49Å; D691-Y751 PolarHBondContact OD1-OH 2.8Å; D691-Y751 WeakPolarHBondContact OD2-CE1 3.49Å; D691-Y751 PolarHBondContact OD2-OH 3.3Å
692E65.4Low74.4Confident185 Ų18579.6 Ų79.686%0.86443%0.43SS*.G310 helixtrans-68.1-29.7-179.8-58.9-172.316600112.6N690N690-E692 PolarHBondContact O-N 2.94Å; N690-E692 VanDerWaalsContact OD1-CB 3.32Å; N690-E692 WeakPolarHBondContact OD1-CB 3.27Å; N690-E692 PolarHBondContact OD1-N 3.22Å
693I67.7Low74.7Confident130 Ų13081.8 Ų81.867%0.66744%0.44SS*.G310 helixtrans-95.92.417464.5168.3000112.5N690 D691 F695N690-I693 HydrophobicContact CB-CD1 4.1Å; N690-I693 HydrophobicContact CB-CG1 3.81Å; N690-I693 WeakPolarHBondContact O-CG1 3.18Å; N690-I693 PolarHBondContact O-N 3.02Å; D691-I693 VanDerWaalsContact C-N 3.3Å; D691-I693 PolarHBondContact O-N 3.3Å; I693-F695 HydrophobicContact CD1-CB 3.99Å; I693-F695 HydrophobicContact CG1-CB 3.93Å
694G61.5Low74.9Confident62 Ų6277.7 Ų77.764%0.63941%0.41SS*.THydrogen-bonded Turntrans76.621.7-177.200000114.7N690 D691N690-G694 PolarHBondContact O-N 3.04Å; D691-G694 PolarHBondContact O-N 2.81Å; D691-G694 VanDerWaalsContact O-N 3.1Å
695F67.8Low75.1Confident86 Ų8680.4 Ų80.438%0.37742%0.424SS..BIsolated β-bridgetrans-102.482.9177.7-160.4-109.5000110.6V684 Y689 N690 I693V684-F695 HydrophobicContact CG1-CE1 4.35Å; V684-F695 HydrophobicContact CG1-CZ 4.12Å; V684-F695 HydrophobicContact CG2-CE1 4.28Å; V684-F695 HydrophobicContact CG2-CZ 4.36Å; Y689-F695 CarbonylContact C-O 3.59Å; Y689-F695 WeakPolarHBondContact CA-O 3.42Å; Y689-F695 HydrophobicContact CD1-CD1 4Å; Y689-F695 HydrophobicContact CD1-CE1 4.13Å; Y689-F695 HydrophobicContact CE1-CE1 4.22Å; N690-F695 CarbonylContact C-O 3.59Å; N690-F695 PolarHBondContact N-O 3.49Å; N690-F695 PolarHBondContact O-N 3.41Å; I693-F695 HydrophobicContact CD1-CB 3.99Å; I693-F695 HydrophobicContact CG1-CB 3.93Å
696S79.1Confident75.5Confident51 Ų5179.8 Ų79.836%0.35742%0.42SS..  trans-110.6150.6-175.2-51.90000111.8D691D691-S696 VanDerWaalsContact OD1-CB 3.31Å; D691-S696 WeakPolarHBondContact OD1-CB 3.24Å; D691-S696 PolarHBondContact OD1-OG 2.91Å
697P83.5Confident76Confident10 Ų1081.3 Ų81.37%0.06543%0.425CS..PPolyproline II helixtrans-64.2145178.624.1-32.3000112.6R679 Y689 L726 I728 Y751R679-P697 HydrophobicContact CG-CB 4.09Å; Y689-P697 HydrophobicContact CD1-CB 4.33Å; Y689-P697 HydrophobicContact CD2-CB 4.11Å; Y689-P697 HydrophobicContact CD2-CG 4.25Å; Y689-P697 HydrophobicContact CE1-CB 3.99Å; Y689-P697 HydrophobicContact CE2-CB 3.73Å; Y689-P697 HydrophobicContact CE2-CG 4.37Å; Y689-P697 HydrophobicContact CG-CB 4.41Å; Y689-P697 HydrophobicContact CG-CG 4.4Å; P697-L726 HydrophobicContact CB-CD2 4.33Å; P697-I728 HydrophobicContact CB-CD1 4.09Å; P697-I728 HydrophobicContact CB-CG1 3.93Å; P697-I728 HydrophobicContact CG-CD1 4.49Å; P697-I728 HydrophobicContact CG-CG1 3.81Å; P697-Y751 HydrophobicContact CG-CD1 3.6Å; P697-Y751 HydrophobicContact CG-CD2 4.05Å; P697-Y751 HydrophobicContact CG-CE1 4.06Å; P697-Y751 HydrophobicContact CG-CE2 4.45Å; P697-Y751 HydrophobicContact CG-CG 3.61Å
698I81.6Confident76.4Confident101 Ų10179.7 Ų79.752%0.51841%0.41SS..PPolyproline II helixtrans-96.4131.2179.9-56.2173.6000110.3R679 I680 E682R679-I698 WeakPolarHBondContact CA-O 3.08Å; I680-I698 HydrophobicContact CG2-CB 3.82Å; I680-I698 HydrophobicContact CG2-CG2 4.05Å; I680-I698 PolarHBondContact N-O 2.95Å; E682-I698 WeakPolarHBondContact OE1-CB 3.05Å; E682-I698 PolarHBondContact OE1-N 3.36Å
699M81.5Confident76.5Confident11 Ų1174.3 Ų74.35%0.05438%0.384CS..BIsolated β-bridgetrans-71.2131.8177-169.2178.1-68.600111.8M675 A677 L701 I704 I728 H730M675-M699 HydrophobicContact CE-SD 4.13Å; A677-M699 HydrophobicContact CB-CG 3.13Å; A677-M699 HydrophobicContact CB-SD 3.61Å; M699-L701 PolarHBondContact O-N 2.89Å; M699-I704 HydrophobicContact SD-CD1 3.56Å; M699-I704 VanDerWaalsContact SD-CD1 3.56Å; M699-I704 HydrophobicContact SD-CG1 3.76Å; M699-I728 HydrophobicContact CB-CB 4.44Å; M699-I728 HydrophobicContact CE-CB 3.82Å; M699-I728 HydrophobicContact CE-CG2 3.8Å; M699-I728 VanDerWaalsContact CE-O 3.23Å; M699-I728 WeakPolarHBondContact CE-O 3.32Å; M699-H730 VanDerWaalsContact CE-CD2 3.41Å; M699-H730 WeakPolarHBondContact CE-CD2 3.31Å
700D82.2Confident76.5Confident5 Ų576.6 Ų76.63%0.02740%0.398CS..  trans-74.992.8170.6-173.10.4000110A677 P678 I680 R702 Q703A677-D700 WeakPolarHBondContact CB-O 3.33Å; P678-D700 WeakPolarHBondContact O-CB 3.08Å; P678-D700 PolarHBondContact O-N 3.26Å; I680-D700 HydrophobicContact CB-CB 4.1Å; I680-D700 HydrophobicContact CG1-CB 4.46Å; D700-R702 PolarHBondContact O-N 3.17Å; D700-R702 VanDerWaalsContact OD1-CB 3.26Å; D700-R702 WeakPolarHBondContact OD1-CB 3.44Å; D700-R702 WeakPolarHBondContact OD1-CG 3.06Å; D700-R702 IonicContact OD1-CZ 3.27Å; D700-R702 PolarHBondContact OD1-N 3.47Å; D700-R702 VanDerWaalsContact OD1-N 3.13Å; D700-R702 IonicContact OD1-NE 2.7Å; D700-R702 PolarHBondContact OD1-NE 2.05Å; D700-R702 IonicContact OD1-NH2 2.8Å; D700-R702 IonicContact OD2-CZ 2.74Å; D700-R702 IonicContact OD2-NE 3.64Å; D700-R702 PolarHBondContact OD2-NE 2.94Å; D700-R702 IonicContact OD2-NH2 3.79Å; D700-R702 PolarHBondContact OD2-NH2 3.35Å; D700-Q703 PolarHBondContact O-N 3.39Å; D700-Q703 PolarHBondContact OD2-NE2 2.98Å
701L75.8Confident76.4Confident121 Ų12177.3 Ų77.363%0.63440%0.399SS*.G310 helixtrans-58.6-12.9180-59.2-178.6000113.9M699 Q703 I704M699-L701 PolarHBondContact O-N 2.89Å; L701-Q703 PolarHBondContact O-N 2.94Å; L701-I704 HydrophobicContact CD2-CD1 3.8Å; L701-I704 WeakPolarHBondContact O-CG2 3.5Å
702R74.3Confident76.7Confident148 Ų14880 Ų8056%0.55841%0.413SS*.G310 helixtrans-73.5-18173.5-56.6173.4-64.2173.45.1112.9D700D700-R702 PolarHBondContact O-N 3.17Å; D700-R702 VanDerWaalsContact OD1-CB 3.26Å; D700-R702 WeakPolarHBondContact OD1-CB 3.44Å; D700-R702 WeakPolarHBondContact OD1-CG 3.06Å; D700-R702 IonicContact OD1-CZ 3.27Å; D700-R702 PolarHBondContact OD1-N 3.47Å; D700-R702 VanDerWaalsContact OD1-N 3.13Å; D700-R702 IonicContact OD1-NE 2.7Å; D700-R702 PolarHBondContact OD1-NE 2.05Å; D700-R702 IonicContact OD1-NH2 2.8Å; D700-R702 IonicContact OD2-CZ 2.74Å; D700-R702 IonicContact OD2-NE 3.64Å; D700-R702 PolarHBondContact OD2-NE 2.94Å; D700-R702 IonicContact OD2-NH2 3.79Å; D700-R702 PolarHBondContact OD2-NH2 3.35Å
703Q78.3Confident77.4Confident75 Ų7575.4 Ų75.435%0.3539%0.392SS..G310 helixtrans-124.722.5-176-64.8-179.178.600111.7P678 D700 L701P678-Q703 HydrophobicContact CG-CB 3.74Å; P678-Q703 HydrophobicContact CG-CG 4.32Å; D700-Q703 PolarHBondContact O-N 3.39Å; D700-Q703 PolarHBondContact OD2-NE2 2.98Å; L701-Q703 PolarHBondContact O-N 2.94Å
704I82Confident78.3Confident48 Ų4871.3 Ų71.325%0.24637%0.373CS..  trans-78.4136.8-176.2-168.2171.2000112.1M675 A677 M699 L701 I706M675-I704 HydrophobicContact CB-CD1 4.22Å; M675-I704 HydrophobicContact CE-CD1 3.47Å; M675-I704 VanDerWaalsContact CE-CD1 3.47Å; A677-I704 HydrophobicContact CB-CB 4.02Å; A677-I704 HydrophobicContact CB-CG1 4.31Å; M699-I704 HydrophobicContact SD-CD1 3.56Å; M699-I704 VanDerWaalsContact SD-CD1 3.56Å; M699-I704 HydrophobicContact SD-CG1 3.76Å; L701-I704 HydrophobicContact CD2-CD1 3.8Å; L701-I704 WeakPolarHBondContact O-CG2 3.5Å; I704-I706 HydrophobicContact CD1-CD1 4.23Å; I704-I706 HydrophobicContact CD1-CG1 4.19Å; I704-I706 HydrophobicContact CG1-CG1 4.08Å
705D79.9Confident79.7Confident91 Ų9173.7 Ų73.749%0.48736%0.363SS..EExtended strand (participates in β ladder)trans-114.8145.9166.5-75.3-52.8000109.6M675 W676M675-D705 CarbonylContact C-O 3.53Å; M675-D705 VanDerWaalsContact CA-O 3.25Å; M675-D705 WeakPolarHBondContact CA-O 3.12Å; W676-D705 HydrophobicContact CD2-CB 3.91Å; W676-D705 HydrophobicContact CE3-CB 4.41Å; W676-D705 HydrophobicContact CG-CB 4.48Å; W676-D705 HydrophobicContact CH2-CB 3.92Å; W676-D705 HydrophobicContact CZ2-CB 3.34Å; W676-D705 HydrophobicContact CZ3-CB 4.41Å; W676-D705 PolarHBondContact N-O 3.32Å; W676-D705 PolarHBondContact O-N 3.32Å
706I82.7Confident80.8Confident89 Ų8970 Ų7046%0.45635%0.347SS..EExtended strand (participates in β ladder)trans-136.5135.5-177.2-51.6179.6000109.2R673 V674 M675 I704R673-I706 HydrophobicContact CG-CG2 3.88Å; V674-I706 CarbonylContact O-C 3.54Å; V674-I706 WeakPolarHBondContact O-CA 3.2Å; M675-I706 HydrophobicContact CB-CB 4.38Å; M675-I706 HydrophobicContact CB-CG1 3.82Å; M675-I706 HydrophobicContact CB-CG2 4.3Å; I704-I706 HydrophobicContact CD1-CD1 4.23Å; I704-I706 HydrophobicContact CD1-CG1 4.19Å; I704-I706 HydrophobicContact CG1-CG1 4.08Å
707K82.1Confident81.4Confident112 Ų11269.4 Ų69.449%0.48734%0.341SS..EExtended strand (participates in β ladder)trans-136.9137.7174.3-162.4177.2-168.4-179.40110.9V674 W676 I709 I716V674-K707 PolarHBondContact N-O 3.47Å; V674-K707 PolarHBondContact O-N 3.08Å; W676-K707 HydrophobicContact CH2-CB 4.14Å; W676-K707 HydrophobicContact CZ3-CB 3.92Å; K707-I709 HydrophobicContact CG-CG1 4.48Å; K707-I716 HydrophobicContact CB-CD1 3.95Å; K707-I716 HydrophobicContact CD-CD1 3.43Å; K707-I716 VanDerWaalsContact CD-CD1 3.43Å; K707-I716 HydrophobicContact CD-CG1 4.27Å; K707-I716 HydrophobicContact CG-CD1 4.24Å
708V83.1Confident81.8Confident69 Ų6969 Ų6942%0.41834%0.338SS..EExtended strand (participates in β ladder)trans-102.5134.1171-177.50000108.8K671 Y672 R673 L734K671-V708 HydrophobicContact CB-CG1 4.11Å; K671-V708 HydrophobicContact CD-CG1 4.34Å; Y672-V708 CarbonylContact O-C 3.55Å; Y672-V708 VanDerWaalsContact O-CA 3.31Å; Y672-V708 WeakPolarHBondContact O-CA 3.42Å; R673-V708 HydrophobicContact CB-CG2 4.49Å; R673-V708 HydrophobicContact CG-CG2 4.39Å; V708-L734 HydrophobicContact CG1-CD1 4.11Å; V708-L734 HydrophobicContact CG2-CD1 4.48Å
709I81.1Confident82.1Confident7 Ų769.1 Ų69.14%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-124.6139.2-171.3-57.3167.6000108.4W638 K671 Y672 V674 K707 Q713 I716W638-I709 HydrophobicContact CH2-CD1 3.43Å; W638-I709 VanDerWaalsContact CH2-CD1 3.43Å; W638-I709 HydrophobicContact CZ2-CD1 3.94Å; K671-I709 CarbonylContact C-O 3.5Å; K671-I709 VanDerWaalsContact CA-O 3.29Å; K671-I709 WeakPolarHBondContact CA-O 3.25Å; K671-I709 WeakPolarHBondContact CB-O 3.21Å; Y672-I709 PolarHBondContact N-O 3.08Å; Y672-I709 PolarHBondContact O-N 3.14Å; V674-I709 HydrophobicContact CB-CD1 4.38Å; V674-I709 HydrophobicContact CG2-CD1 3.54Å; K707-I709 HydrophobicContact CG-CG1 4.48Å; I709-Q713 HydrophobicContact CG2-CB 3.39Å; I709-Q713 WeakPolarHBondContact CG2-O 3.21Å; I709-I716 HydrophobicContact CD1-CB 3.67Å; I709-I716 HydrophobicContact CD1-CD1 4.09Å; I709-I716 HydrophobicContact CD1-CG1 4.22Å; I709-I716 HydrophobicContact CD1-CG2 4.19Å
710D77.3Confident82.3Confident70 Ų7075.4 Ų75.437%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-75.9164.8-179.2-72-44.4000113Y369 K671 D712 Q713Y369-D710 PolarHBondContact OH-OD1 3.42Å; K671-D710 VanDerWaalsContact CE-OD1 3.23Å; K671-D710 WeakPolarHBondContact CE-OD1 3.22Å; D710-D712 WeakPolarHBondContact CB-OD1 3.14Å; D710-D712 PolarHBondContact O-N 3.03Å; D710-D712 VanDerWaalsContact O-N 3.13Å; D710-Q713 PolarHBondContact O-N 3.07Å; D710-Q713 VanDerWaalsContact O-N 3.09Å
711Q70.5Confident82.6Confident75 Ų7575.6 Ų75.635%0.3537%0.37SS..THydrogen-bonded Turntrans-54-35.6-171.2-164.3172.9-64.600114.7K640 T670 Q713K640-Q711 HydrophobicContact CD-CG 4.38Å; T670-Q711 WeakPolarHBondContact O-CA 3.47Å; T670-Q711 WeakPolarHBondContact O-CB 3.48Å; T670-Q711 PolarHBondContact O-N 3.48Å; Q711-Q713 VanDerWaalsContact C-N 3.27Å
712D73Confident83.2Confident133 Ų13374.8 Ų74.871%0.71136%0.362SS*.THydrogen-bonded Turntrans-75.4-16.7-174.660.9-41.1000112.6D710D710-D712 WeakPolarHBondContact CB-OD1 3.14Å; D710-D712 PolarHBondContact O-N 3.03Å; D710-D712 VanDerWaalsContact O-N 3.13Å
713Q80.2Confident83.9Confident90 Ų9070.1 Ų70.142%0.42135%0.35SS..  trans-109.9106.8177.9-69.3-175.9-2.200110.8I709 D710 Q711I709-Q713 HydrophobicContact CG2-CB 3.39Å; I709-Q713 WeakPolarHBondContact CG2-O 3.21Å; D710-Q713 PolarHBondContact O-N 3.07Å; D710-Q713 VanDerWaalsContact O-N 3.09Å; Q711-Q713 VanDerWaalsContact C-N 3.27Å
714T87.4Confident84.3Confident44 Ų4471.9 Ų71.927%0.2736%0.362SS..  trans-100.826.7174.968.10000112.7S637 W638 K640 Y672S637-T714 CarbonylContact C-O 3.58Å; S637-T714 WeakPolarHBondContact CA-O 3.46Å; W638-T714 PolarHBondContact N-O 3.27Å; W638-T714 WeakPolarHBondContact O-CB 3.48Å; W638-T714 PolarHBondContact O-OG1 3.21Å; W638-T714 VanDerWaalsContact O-OG1 3.13Å; K640-T714 HydrophobicContact CB-CG2 4.2Å; Y672-T714 HydrophobicContact CE2-CG2 4.14Å
715W91.2Very high84.7Confident111 Ų11171.2 Ų71.242%0.4236%0.36SS..EExtended strand (participates in β ladder)trans-151.6155.8176.661.1-90.9000111.8R635 I636 V717R635-W715 HydrophobicContact CG-CB 4.39Å; I636-W715 CarbonylContact O-C 3.57Å; I636-W715 WeakPolarHBondContact O-CA 3.3Å; I636-W715 WeakPolarHBondContact O-CB 3.39Å; W715-V717 HydrophobicContact CE3-CG2 4.16Å; W715-V717 HydrophobicContact CZ3-CG2 3.9Å
716I90.8Very high85.2Confident8 Ų867.4 Ų67.44%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-140.5149173.3-173.3-179.7000109.6R635 I636 W638 V674 W676 K707 I709 L718R635-I716 CarbonylContact C-O 3.49Å; R635-I716 WeakPolarHBondContact CA-O 3.36Å; I636-I716 HydrophobicContact CB-CG2 3.88Å; I636-I716 HydrophobicContact CG1-CG2 4.27Å; I636-I716 PolarHBondContact N-O 3.32Å; I636-I716 PolarHBondContact O-N 3.01Å; W638-I716 HydrophobicContact CH2-CB 4.48Å; W638-I716 HydrophobicContact CH2-CG2 4.24Å; W638-I716 HydrophobicContact CZ3-CG2 4.03Å; V674-I716 HydrophobicContact CG1-CG2 4.1Å; V674-I716 HydrophobicContact CG2-CG2 4.32Å; W676-I716 HydrophobicContact CH2-CD1 4.15Å; W676-I716 HydrophobicContact CZ3-CD1 3.92Å; K707-I716 HydrophobicContact CB-CD1 3.95Å; K707-I716 HydrophobicContact CD-CD1 3.43Å; K707-I716 VanDerWaalsContact CD-CD1 3.43Å; K707-I716 HydrophobicContact CD-CG1 4.27Å; K707-I716 HydrophobicContact CG-CD1 4.24Å; I709-I716 HydrophobicContact CD1-CB 3.67Å; I709-I716 HydrophobicContact CD1-CD1 4.09Å; I709-I716 HydrophobicContact CD1-CG1 4.22Å; I709-I716 HydrophobicContact CD1-CG2 4.19Å; I716-L718 HydrophobicContact CD1-CD2 4.08Å; I716-L718 HydrophobicContact CG1-CD2 4.38Å; I716-L718 HydrophobicContact CG2-CD2 4.28Å
717V91.7Very high85.7Confident39 Ų3963.9 Ų63.924%0.23632%0.321CS..EExtended strand (participates in β ladder)trans-104.5124.9169.3-176.40000109.7I629 N633 Y634 R635 W715 N719I629-V717 HydrophobicContact CD1-CB 4.48Å; I629-V717 HydrophobicContact CD1-CG1 3.76Å; I629-V717 HydrophobicContact CD1-CG2 3.83Å; N633-V717 HydrophobicContact CB-CG1 4.48Å; Y634-V717 CarbonylContact O-C 3.58Å; Y634-V717 WeakPolarHBondContact O-CA 3.37Å; R635-V717 HydrophobicContact CB-CG2 4.27Å; W715-V717 HydrophobicContact CE3-CG2 4.16Å; W715-V717 HydrophobicContact CZ3-CG2 3.9Å; V717-N719 WeakPolarHBondContact CG1-OD1 3.48Å
718L91.3Very high86.2Confident2 Ų258.6 Ų58.61%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-92.8110.4171.4-51.1-173.5000107.6N633 Y634 I636 W676 I716 L721 V729N633-L718 CarbonylContact C-O 3.5Å; N633-L718 VanDerWaalsContact CA-O 3.3Å; N633-L718 WeakPolarHBondContact CA-O 3.31Å; Y634-L718 PolarHBondContact N-O 2.97Å; Y634-L718 PolarHBondContact O-N 3.44Å; I636-L718 HydrophobicContact CD1-CD1 4.05Å; I636-L718 HydrophobicContact CG1-CD1 3.74Å; I636-L718 HydrophobicContact CG1-CG 3.92Å; W676-L718 HydrophobicContact CB-CD1 4.15Å; W676-L718 HydrophobicContact CD2-CD1 4.15Å; W676-L718 HydrophobicContact CD2-CD2 3.51Å; W676-L718 HydrophobicContact CD2-CG 4.44Å; W676-L718 HydrophobicContact CE3-CD2 3.64Å; W676-L718 HydrophobicContact CG-CD1 3.85Å; W676-L718 HydrophobicContact CG-CD2 4.13Å; W676-L718 HydrophobicContact CH2-CD2 3.95Å; W676-L718 HydrophobicContact CZ2-CD2 3.83Å; W676-L718 HydrophobicContact CZ3-CD2 3.87Å; I716-L718 HydrophobicContact CD1-CD2 4.08Å; I716-L718 HydrophobicContact CG1-CD2 4.38Å; I716-L718 HydrophobicContact CG2-CD2 4.28Å; L718-L721 HydrophobicContact CB-CD1 4.07Å; L718-L721 HydrophobicContact CB-CD2 4.14Å; L718-L721 HydrophobicContact CB-CG 4.23Å; L718-L721 HydrophobicContact CD1-CD1 4.37Å; L718-V729 HydrophobicContact CD1-CG2 4.06Å
719N87.7Confident86.6Confident103 Ų10355.3 Ų55.355%0.55128%0.278SS*.  trans-96.4148.2-175.1-63.9-45.6000111.4N633 V717 L721N633-N719 WeakPolarHBondContact OD1-CA 3.27Å; V717-N719 WeakPolarHBondContact CG1-OD1 3.48Å; N719-L721 VanDerWaalsContact C-N 3.34Å; N719-L721 PolarHBondContact O-N 3.5Å
720Q84.8Confident87Confident144 Ų14456.8 Ų56.867%0.67329%0.285SS*.SBendtrans5543.3168.9-57-64.3-27.700114.1L632 N633L632-Q720 PolarHBondContact O-N 3.06Å; N633-Q720 PolarHBondContact OD1-N 2.97Å
721L89.2Confident87.5Confident8 Ų853.4 Ų53.44%0.04227%0.267CS..PPolyproline II helixtrans-65.5158174.5-62.3-174.1000111.4L632 Y634 L718 N719 Y727 F752 T754L632-L721 VanDerWaalsContact CB-O 3.22Å; L632-L721 WeakPolarHBondContact CB-O 3.31Å; L632-L721 VanDerWaalsContact CD1-O 3.25Å; L632-L721 WeakPolarHBondContact CD1-O 3.11Å; L632-L721 WeakPolarHBondContact CG-O 3.18Å; L632-L721 PolarHBondContact O-N 3.22Å; Y634-L721 HydrophobicContact CD2-CD1 3.83Å; Y634-L721 HydrophobicContact CG-CD1 4.41Å; L718-L721 HydrophobicContact CB-CD1 4.07Å; L718-L721 HydrophobicContact CB-CD2 4.14Å; L718-L721 HydrophobicContact CB-CG 4.23Å; L718-L721 HydrophobicContact CD1-CD1 4.37Å; N719-L721 VanDerWaalsContact C-N 3.34Å; N719-L721 PolarHBondContact O-N 3.5Å; L721-Y727 HydrophobicContact CB-CD2 4.46Å; L721-Y727 HydrophobicContact CB-CE2 3.88Å; L721-Y727 HydrophobicContact CD1-CD1 4.49Å; L721-Y727 HydrophobicContact CD1-CD2 4.25Å; L721-Y727 HydrophobicContact CD1-CE2 4.41Å; L721-Y727 HydrophobicContact CD1-CG 4.28Å; L721-Y727 HydrophobicContact CD2-CD1 4.3Å; L721-Y727 HydrophobicContact CD2-CE1 3.79Å; L721-Y727 HydrophobicContact CD2-CE2 4.39Å; L721-Y727 HydrophobicContact CG-CE2 4.46Å; L721-F752 HydrophobicContact CD1-CE2 3.97Å; L721-F752 HydrophobicContact CD1-CZ 3.67Å; L721-T754 HydrophobicContact CB-CG2 3.85Å; L721-T754 HydrophobicContact CD1-CG2 4.05Å
722K88.2Confident88.2Confident105 Ų10551.2 Ų51.246%0.45726%0.257SS..PPolyproline II helixtrans-66.9138.2176.7-67.6178.1179.61790110.3T725 Y727 T754K722-T725 HydrophobicContact CB-CG2 4.48Å; K722-T725 WeakPolarHBondContact CB-OG1 3.47Å; K722-Y727 HydrophobicContact CB-CE2 4.36Å; K722-Y727 PolarHBondContact N-OH 3.14Å; K722-T754 WeakPolarHBondContact O-CB 3.19Å; K722-T754 PolarHBondContact O-OG1 2.95Å
723P89.3Confident88.6Confident49 Ų4945.1 Ų45.132%0.31822%0.224SC..THydrogen-bonded Turntrans-67.8154177.827.8-33.8000112L632 T725 T754 I755L632-P723 HydrophobicContact CD1-CB 4.19Å; L632-P723 HydrophobicContact CD1-CG 4.4Å; L632-P723 HydrophobicContact CD2-CB 3.92Å; P723-T725 PolarHBondContact O-N 2.96Å; P723-T725 VanDerWaalsContact O-N 3.12Å; P723-T725 PolarHBondContact O-OG1 2.99Å; P723-T754 VanDerWaalsContact C-OG1 3.3Å; P723-I755 WeakPolarHBondContact CA-O 3.32Å; P723-I755 WeakPolarHBondContact CB-O 3.19Å
724N87.6Confident88.5Confident112 Ų11241 Ų4160%0.59921%0.205SC*.THydrogen-bonded Turntrans45.643.8177.2-162.776.3000113.8T754 I755 C756N724-T754 WeakPolarHBondContact CA-O 3.41Å; N724-T754 PolarHBondContact N-O 3.22Å; N724-T754 PolarHBondContact N-OG1 3.41Å; N724-I755 PolarHBondContact N-O 3.26Å; N724-I755 VanDerWaalsContact N-O 3.07Å; N724-C756 HydrophobicContact CB-CB 4.4Å
725T90.2Very high87.5Confident34 Ų3441 Ų4121%0.20920%0.201CC..  trans-128.3130-174.7-59.10000109.2P678 K722 P723 Y727 T754P678-T725 HydrophobicContact CB-CG2 3.65Å; K722-T725 HydrophobicContact CB-CG2 4.48Å; K722-T725 WeakPolarHBondContact CB-OG1 3.47Å; P723-T725 PolarHBondContact O-N 2.96Å; P723-T725 VanDerWaalsContact O-N 3.12Å; P723-T725 PolarHBondContact O-OG1 2.99Å; T725-Y727 HydrophobicContact CG2-CD2 4.02Å; T725-Y727 HydrophobicContact CG2-CE2 3.73Å; T725-Y727 PolarHBondContact O-N 3.3Å; T725-T754 PolarHBondContact N-OG1 2.92Å; T725-T754 PolarHBondContact O-N 3.01Å; T725-T754 PolarHBondContact O-OG1 3.28Å
726L90.5Very high86.3Confident11 Ų1137.5 Ų37.56%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-74.7117173.4178.761.2000109.4P678 R679 E686 Y689 P697 Y751 T753P678-L726 CarbonylContact C-O 3.44Å; P678-L726 WeakPolarHBondContact CA-O 3.46Å; R679-L726 HydrophobicContact CB-CB 4.18Å; R679-L726 HydrophobicContact CB-CD2 4.14Å; R679-L726 HydrophobicContact CB-CG 4.2Å; R679-L726 HydrophobicContact CG-CD2 4.24Å; R679-L726 PolarHBondContact N-O 3.06Å; E686-L726 HydrophobicContact CB-CD2 4.44Å; E686-L726 HydrophobicContact CG-CD1 4.44Å; E686-L726 HydrophobicContact CG-CD2 4.04Å; Y689-L726 HydrophobicContact CD2-CD2 4.38Å; Y689-L726 HydrophobicContact CE2-CD2 3.88Å; P697-L726 HydrophobicContact CB-CD2 4.33Å; L726-Y751 HydrophobicContact CD1-CD2 4.31Å; L726-T753 WeakPolarHBondContact CD1-OG1 3.38Å
727Y93.1Very high84.6Confident16 Ų1637.7 Ų37.76%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-104.2141175.2-87.2-95.1000110.6A677 P678 L721 K722 T725 Y751 F752 T754A677-Y727 VanDerWaalsContact C-CD1 3.45Å; P678-Y727 HydrophobicContact CB-CE1 4.4Å; L721-Y727 HydrophobicContact CB-CD2 4.46Å; L721-Y727 HydrophobicContact CB-CE2 3.88Å; L721-Y727 HydrophobicContact CD1-CD1 4.49Å; L721-Y727 HydrophobicContact CD1-CD2 4.25Å; L721-Y727 HydrophobicContact CD1-CE2 4.41Å; L721-Y727 HydrophobicContact CD1-CG 4.28Å; L721-Y727 HydrophobicContact CD2-CD1 4.3Å; L721-Y727 HydrophobicContact CD2-CE1 3.79Å; L721-Y727 HydrophobicContact CD2-CE2 4.39Å; L721-Y727 HydrophobicContact CG-CE2 4.46Å; K722-Y727 HydrophobicContact CB-CE2 4.36Å; K722-Y727 PolarHBondContact N-OH 3.14Å; T725-Y727 HydrophobicContact CG2-CD2 4.02Å; T725-Y727 HydrophobicContact CG2-CE2 3.73Å; T725-Y727 PolarHBondContact O-N 3.3Å; Y727-Y751 CarbonylContact O-C 3.54Å; Y727-Y751 WeakPolarHBondContact O-CA 3.36Å; Y727-Y751 VanDerWaalsContact O-CB 3.29Å; Y727-Y751 WeakPolarHBondContact O-CB 3.47Å; Y727-F752 PolarHBondContact N-O 3.49Å; Y727-F752 PolarHBondContact O-N 3.28Å; Y727-T754 HydrophobicContact CD2-CG2 3.75Å; Y727-T754 HydrophobicContact CE2-CG2 4.07Å
728I91.1Very high82.7Confident1 Ų144.3 Ų44.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-106.4140.5170-56.495.1000107.6W676 A677 R679 P697 M699W676-I728 WeakPolarHBondContact CA-O 3.48Å; W676-I728 WeakPolarHBondContact CB-O 3.4Å; A677-I728 PolarHBondContact N-O 2.94Å; A677-I728 VanDerWaalsContact N-O 3.14Å; A677-I728 PolarHBondContact O-N 2.66Å; R679-I728 VanDerWaalsContact CA-CD1 3.44Å; R679-I728 HydrophobicContact CB-CD1 3.74Å; R679-I728 HydrophobicContact CG-CD1 4.13Å; P697-I728 HydrophobicContact CB-CD1 4.09Å; P697-I728 HydrophobicContact CB-CG1 3.93Å; P697-I728 HydrophobicContact CG-CD1 4.49Å; P697-I728 HydrophobicContact CG-CG1 3.81Å; M699-I728 HydrophobicContact CB-CB 4.44Å; M699-I728 HydrophobicContact CE-CB 3.82Å; M699-I728 HydrophobicContact CE-CG2 3.8Å; M699-I728 VanDerWaalsContact CE-O 3.23Å; M699-I728 WeakPolarHBondContact CE-O 3.32Å
729V92Very high80.7Confident0 Ų048.4 Ų48.40%024%0.236CC..EExtended strand (participates in β ladder)trans-130.8127.1175.8-173.80000108.8I636 V674 M675 W676 L718 V731 S749 V750 F752I636-V729 HydrophobicContact CD1-CG2 4.09Å; I636-V729 HydrophobicContact CG1-CG1 4.31Å; I636-V729 HydrophobicContact CG1-CG2 4.42Å; I636-V729 HydrophobicContact CG2-CG1 4.19Å; V674-V729 HydrophobicContact CG1-CG1 3.68Å; M675-V729 CarbonylContact O-C 3.55Å; M675-V729 WeakPolarHBondContact O-CA 3.41Å; W676-V729 HydrophobicContact CB-CB 4.42Å; W676-V729 HydrophobicContact CB-CG1 4.41Å; W676-V729 HydrophobicContact CB-CG2 3.87Å; L718-V729 HydrophobicContact CD1-CG2 4.06Å; V729-V731 HydrophobicContact CG1-CG2 4.33Å; V729-S749 CarbonylContact O-C 3.56Å; V729-S749 WeakPolarHBondContact O-CA 3.46Å; V729-V750 HydrophobicContact CB-CG1 3.93Å; V729-V750 PolarHBondContact N-O 2.94Å; V729-V750 PolarHBondContact O-N 3.16Å; V729-F752 HydrophobicContact CG2-CE1 3.81Å
730H89.5Confident78.9Confident37 Ų3746.3 Ų46.317%0.17124%0.239CC..EExtended strand (participates in β ladder)trans-109.5134.3169.7-57.8-63.9000110.4V674 M675 M699 P747 V748 S749V674-H730 WeakPolarHBondContact CA-O 3.29Å; M675-H730 HydrophobicContact CG-CB 3.65Å; M675-H730 PolarHBondContact N-O 2.61Å; M675-H730 PolarHBondContact O-N 2.99Å; M675-H730 HydrophobicContact SD-CB 4.26Å; M699-H730 VanDerWaalsContact CE-CD2 3.41Å; M699-H730 WeakPolarHBondContact CE-CD2 3.31Å; H730-P747 HydrophobicContact CB-CB 4.12Å; H730-V748 CarbonylContact C-O 3.5Å; H730-V748 WeakPolarHBondContact CA-O 3.43Å; H730-S749 PolarHBondContact CE1-OG 3.44Å; H730-S749 WeakPolarHBondContact ND1-CB 3.18Å; H730-S749 PolarHBondContact ND1-OG 3.38Å
731V88.2Confident77.1Confident0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-120.5123.7176.2-169.40000108.9P621 V624 I636 W638 R673 V674 V729 V748P621-V731 HydrophobicContact CB-CG1 4.19Å; P621-V731 HydrophobicContact CG-CB 4.43Å; P621-V731 HydrophobicContact CG-CG1 3.78Å; V624-V731 HydrophobicContact CG1-CG2 3.95Å; V624-V731 HydrophobicContact CG2-CB 4.44Å; V624-V731 HydrophobicContact CG2-CG2 4.36Å; I636-V731 HydrophobicContact CG2-CG2 4.4Å; W638-V731 HydrophobicContact CD2-CG1 3.76Å; W638-V731 HydrophobicContact CE3-CG1 3.96Å; W638-V731 HydrophobicContact CE3-CG2 4.23Å; W638-V731 HydrophobicContact CG-CG1 4.14Å; W638-V731 HydrophobicContact CZ2-CG1 4.49Å; W638-V731 HydrophobicContact CZ3-CG1 4.44Å; R673-V731 CarbonylContact O-C 3.52Å; R673-V731 WeakPolarHBondContact O-CA 3.14Å; V674-V731 HydrophobicContact CG1-CG2 4.36Å; V674-V731 HydrophobicContact CG2-CG1 4.18Å; V674-V731 HydrophobicContact CG2-CG2 4.39Å; V729-V731 HydrophobicContact CG1-CG2 4.33Å; V731-V748 PolarHBondContact N-O 2.97Å; V731-V748 PolarHBondContact O-N 3.25Å
732Q84.8Confident75.8Confident29 Ų2947 Ų4714%0.13624%0.243CC..EExtended strand (participates in β ladder)trans-121142.7178.5-73.6178.9-52.700111.2Y672 R673 S745 P747Y672-Q732 CarbonylContact C-O 3.57Å; Y672-Q732 WeakPolarHBondContact CA-O 3.46Å; R673-Q732 HydrophobicContact CB-CB 4.36Å; R673-Q732 PolarHBondContact N-O 3.45Å; R673-Q732 PolarHBondContact O-N 3.31Å; Q732-S745 PolarHBondContact NE2-O 3.25Å; Q732-P747 VanDerWaalsContact CG-CA 3.48Å; Q732-P747 HydrophobicContact CG-CB 3.56Å
733T82.1Confident74.5Confident4 Ų444.1 Ų44.13%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-83.4126.6167.9-53.50000109.2P618 S619 P621 P641 T670 Y672 E744 S745P618-T733 HydrophobicContact CB-CG2 4.18Å; S619-T733 WeakPolarHBondContact O-CB 3.23Å; S619-T733 PolarHBondContact O-OG1 2.91Å; P621-T733 WeakPolarHBondContact CD-OG1 3.47Å; P621-T733 WeakPolarHBondContact CG-OG1 3.47Å; P641-T733 HydrophobicContact CG-CG2 4.23Å; P641-T733 WeakPolarHBondContact CG-OG1 3.08Å; T670-T733 HydrophobicContact CG2-CG2 3.55Å; Y672-T733 HydrophobicContact CE1-CG2 4.33Å; T733-E744 WeakPolarHBondContact O-CA 3.27Å; T733-S745 PolarHBondContact N-OG 2.82Å; T733-S745 PolarHBondContact O-N 2.68Å
734L77.4Confident73.8Confident4 Ų445.2 Ų45.22%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-105.8124.5170-57.2-179.8000108.5T670 K671 R673 V708 R743 E744T670-L734 CarbonylContact C-O 3.56Å; T670-L734 WeakPolarHBondContact CA-O 3.37Å; K671-L734 HydrophobicContact CB-CB 4.2Å; K671-L734 PolarHBondContact N-O 3.17Å; K671-L734 PolarHBondContact O-N 3.08Å; R673-L734 HydrophobicContact CB-CD1 4.01Å; R673-L734 HydrophobicContact CB-CD2 4.5Å; R673-L734 HydrophobicContact CB-CG 4.22Å; V708-L734 HydrophobicContact CG1-CD1 4.11Å; V708-L734 HydrophobicContact CG2-CD1 4.48Å; L734-R743 CarbonylContact C-O 3.51Å; L734-R743 WeakPolarHBondContact CA-O 3.43Å; L734-E744 HydrophobicContact CD2-CB 4.04Å; L734-E744 HydrophobicContact CD2-CG 3.55Å; L734-E744 WeakPolarHBondContact CD2-OE1 3.23Å
735F67.7Low73.1Confident43 Ų4340 Ų4019%0.18920%0.203CC..EExtended strand (participates in β ladder)trans-108.5118.7172.8-176.9-93.8000109P618 N668 Q742 R743P618-F735 HydrophobicContact CB-CB 4.17Å; P618-F735 HydrophobicContact CG-CB 4.1Å; N668-F735 HydrophobicContact CB-CE2 3.87Å; N668-F735 HydrophobicContact CB-CZ 3.65Å; F735-Q742 CarbonylContact O-C 3.59Å; F735-Q742 WeakPolarHBondContact O-CA 3.23Å; F735-R743 HydrophobicContact CB-CB 4.41Å; F735-R743 PolarHBondContact N-O 3.49Å; F735-R743 PolarHBondContact O-N 3.09Å
736I65.3Low72.4Confident39 Ų3944.3 Ų44.320%0.222%0.224CC..EExtended strand (participates in β ladder)trans-109.9111.8177.2-56.5168.6000107.1N668 S669 K671 M741 Q742N668-I736 WeakPolarHBondContact CA-O 3.33Å; S669-I736 PolarHBondContact N-O 3.38Å; S669-I736 PolarHBondContact O-N 2.04Å; K671-I736 HydrophobicContact CD-CD1 3.76Å; I736-M741 WeakPolarHBondContact CA-O 3.33Å; I736-Q742 HydrophobicContact CG1-CG 4.29Å
737S55.3Low71.9Confident11 Ų1146.7 Ų46.78%0.07724%0.241CC..  trans-78.8162175.153.50000111.6N739 G740 M741S737-N739 WeakPolarHBondContact CB-OD1 3.38Å; S737-N739 PolarHBondContact O-N 2.86Å; S737-N739 VanDerWaalsContact O-N 3.15Å; S737-N739 PolarHBondContact OG-OD1 3Å; S737-G740 PolarHBondContact O-N 3.07Å; S737-M741 PolarHBondContact N-O 3.3Å; S737-M741 VanDerWaalsContact OG-CB 3.32Å; S737-M741 WeakPolarHBondContact OG-CB 3.05Å; S737-M741 PolarHBondContact OG-N 3.25Å; S737-M741 PolarHBondContact OG-O 3.2Å
738Y50.5Low71.5Confident179 Ų17947.9 Ų47.970%0.70225%0.249SC*.THydrogen-bonded Turntrans-56.8-28.8179.170.5-87.5000114.2N668 G740N668-Y738 PolarHBondContact OD1-N 2.99Å; Y738-G740 PolarHBondContact O-N 2.84Å
739N50Low71.2Confident88 Ų8850.4 Ų50.447%0.47127%0.267SS..THydrogen-bonded Turntrans-83.610.8176.459.5-11000112.9S737 M741S737-N739 WeakPolarHBondContact CB-OD1 3.38Å; S737-N739 PolarHBondContact O-N 2.86Å; S737-N739 VanDerWaalsContact O-N 3.15Å; S737-N739 PolarHBondContact OG-OD1 3Å; N739-M741 VanDerWaalsContact C-N 3.28Å; N739-M741 PolarHBondContact O-N 2.03Å
740G49.3Very low71.1Confident59 Ų5951.9 Ų51.961%0.60828%0.276SS*.SBendtrans786.2176.900000114.5S737 Y738 Q742S737-G740 PolarHBondContact O-N 3.07Å; Y738-G740 PolarHBondContact O-N 2.84Å; G740-Q742 PolarHBondContact O-N 3.04Å
741M47.4Very low71.1Confident81 Ų8153 Ų5340%0.39928%0.279SS..  trans-73.5123.2174.3-54.2-161.9-48.300109.7I736 S737 N739I736-M741 WeakPolarHBondContact CA-O 3.33Å; S737-M741 PolarHBondContact N-O 3.3Å; S737-M741 VanDerWaalsContact OG-CB 3.32Å; S737-M741 WeakPolarHBondContact OG-CB 3.05Å; S737-M741 PolarHBondContact OG-N 3.25Å; S737-M741 PolarHBondContact OG-O 3.2Å; N739-M741 VanDerWaalsContact C-N 3.28Å; N739-M741 PolarHBondContact O-N 2.03Å
742Q62Low71.2Confident84 Ų8454 Ų5439%0.39328%0.283SS..EExtended strand (participates in β ladder)trans-97.3129.3172.7-176.7171.6-36.600109.1F735 I736 G740 E744F735-Q742 CarbonylContact O-C 3.59Å; F735-Q742 WeakPolarHBondContact O-CA 3.23Å; I736-Q742 HydrophobicContact CG1-CG 4.29Å; G740-Q742 PolarHBondContact O-N 3.04Å; Q742-E744 PolarHBondContact NE2-OE1 2.79Å
743R61.9Low71.5Confident46 Ų4655 Ų5517%0.17429%0.292CS..EExtended strand (participates in β ladder)trans-121.4145.1173.1-64.4-175.6175.9140.3-5.8109.6D614 L615 P618 L734 F735D614-R743 IonicContact OD1-CZ 2.81Å; D614-R743 IonicContact OD1-NE 3.54Å; D614-R743 IonicContact OD1-NH2 2.78Å; D614-R743 PolarHBondContact OD1-NH2 3.21Å; L615-R743 PolarHBondContact O-NE 3.22Å; P618-R743 HydrophobicContact CG-CB 4.37Å; L734-R743 CarbonylContact C-O 3.51Å; L734-R743 WeakPolarHBondContact CA-O 3.43Å; F735-R743 HydrophobicContact CB-CB 4.41Å; F735-R743 PolarHBondContact N-O 3.49Å; F735-R743 PolarHBondContact O-N 3.09Å
744E73.1Confident71.9Confident71 Ų7155 Ų5533%0.33229%0.291SS..EExtended strand (participates in β ladder)trans-123.4141.5-174.7-44.9-162158.800109.9R673 T733 L734 Q742R673-E744 IonicContact CZ-OE1 2.73Å; R673-E744 IonicContact CZ-OE2 3.6Å; R673-E744 IonicContact NH1-OE1 3.9Å; R673-E744 PolarHBondContact NH1-OE1 2.98Å; R673-E744 IonicContact NH1-OE2 3.71Å; R673-E744 PolarHBondContact NH1-OE2 3.15Å; R673-E744 IonicContact NH2-OE1 2.69Å; R673-E744 PolarHBondContact NH2-OE1 2.87Å; R673-E744 IonicContact NH2-OE2 3.41Å; T733-E744 WeakPolarHBondContact O-CA 3.27Å; L734-E744 HydrophobicContact CD2-CB 4.04Å; L734-E744 HydrophobicContact CD2-CG 3.55Å; L734-E744 WeakPolarHBondContact CD2-OE1 3.23Å; Q742-E744 PolarHBondContact NE2-OE1 2.79Å
745S74Confident72.4Confident4 Ų456.6 Ų56.63%0.02830%0.3CS..PPolyproline II helixtrans-82.316517174.70000110.8P618 P620 Q732 T733P618-S745 WeakPolarHBondContact O-CA 2.89Å; P618-S745 WeakPolarHBondContact O-CB 3.34Å; P620-S745 WeakPolarHBondContact CA-OG 3.43Å; Q732-S745 PolarHBondContact NE2-O 3.25Å; T733-S745 PolarHBondContact N-OG 2.82Å; T733-S745 PolarHBondContact O-N 2.68Å
746D74.4Confident72.8Confident124 Ų12457.1 Ų57.166%0.66331%0.308SS*.PPolyproline II helixtrans-55.9143.1160.8-64.6-38.4000110P620P620-D746 WeakPolarHBondContact CB-O 3.49Å
747P81Confident72.6Confident61 Ų6159.5 Ų59.540%0.39632%0.321SS..PPolyproline II helixtrans-72.5139.4177.727.6-31.6000111.8H730 Q732H730-P747 HydrophobicContact CB-CB 4.12Å; Q732-P747 VanDerWaalsContact CG-CA 3.48Å; Q732-P747 HydrophobicContact CG-CB 3.56Å
748V84.3Confident72.7Confident41 Ų4167.6 Ų67.625%0.24836%0.355CS..EExtended strand (participates in β ladder)trans-96.7123.8165.2-176.10000109.4P620 P621 V624 H730 V731P620-V748 HydrophobicContact CB-CG2 3.72Å; P621-V748 VanDerWaalsContact O-CG2 3.23Å; P621-V748 WeakPolarHBondContact O-CG2 3.24Å; V624-V748 HydrophobicContact CB-CG1 4.28Å; V624-V748 HydrophobicContact CG2-CB 3.93Å; V624-V748 HydrophobicContact CG2-CG1 3.54Å; H730-V748 CarbonylContact C-O 3.5Å; H730-V748 WeakPolarHBondContact CA-O 3.43Å; V731-V748 PolarHBondContact N-O 2.97Å; V731-V748 PolarHBondContact O-N 3.25Å
749S84.9Confident72.9Confident54 Ų5465.3 Ų65.338%0.37835%0.351SS..EExtended strand (participates in β ladder)trans-98.9138-176.7-50.20000110.7V729 H730V729-S749 CarbonylContact O-C 3.56Å; V729-S749 WeakPolarHBondContact O-CA 3.46Å; H730-S749 PolarHBondContact CE1-OG 3.44Å; H730-S749 WeakPolarHBondContact ND1-CB 3.18Å; H730-S749 PolarHBondContact ND1-OG 3.38Å
750V89.1Confident73Confident30 Ų3064 Ų6418%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-137.5143.7164.967.10000108.5V624 V626 V729V624-V750 HydrophobicContact CG1-CB 4.28Å; V624-V750 HydrophobicContact CG1-CG1 3.72Å; V626-V750 HydrophobicContact CG2-CB 4.39Å; V626-V750 HydrophobicContact CG2-CG1 3.78Å; V626-V750 HydrophobicContact CG2-CG2 3.66Å; V729-V750 HydrophobicContact CB-CG1 3.93Å; V729-V750 PolarHBondContact N-O 2.94Å; V729-V750 PolarHBondContact O-N 3.16Å
751Y89.9Confident72.9Confident60 Ų6070 Ų7024%0.23535%0.352CS..EExtended strand (participates in β ladder)trans-132.5148.1176.847.3-89.8000110.8D691 P697 L726 Y727D691-Y751 VanDerWaalsContact CG-OH 3.26Å; D691-Y751 WeakPolarHBondContact OD1-CE1 3.49Å; D691-Y751 PolarHBondContact OD1-OH 2.8Å; D691-Y751 WeakPolarHBondContact OD2-CE1 3.49Å; D691-Y751 PolarHBondContact OD2-OH 3.3Å; P697-Y751 HydrophobicContact CG-CD1 3.6Å; P697-Y751 HydrophobicContact CG-CD2 4.05Å; P697-Y751 HydrophobicContact CG-CE1 4.06Å; P697-Y751 HydrophobicContact CG-CE2 4.45Å; P697-Y751 HydrophobicContact CG-CG 3.61Å; L726-Y751 HydrophobicContact CD1-CD2 4.31Å; Y727-Y751 CarbonylContact O-C 3.54Å; Y727-Y751 WeakPolarHBondContact O-CA 3.36Å; Y727-Y751 VanDerWaalsContact O-CB 3.29Å; Y727-Y751 WeakPolarHBondContact O-CB 3.47Å
752F91Very high72.7Confident22 Ų2270.2 Ų70.210%0.09636%0.361CS..EExtended strand (participates in β ladder)trans-154.5149.8-177.166.9-82.3000110.8V626 Y634 I636 L721 Y727 V729 T754V626-F752 HydrophobicContact CB-CD1 4.26Å; V626-F752 HydrophobicContact CB-CG 4.44Å; V626-F752 HydrophobicContact CG1-CB 4.22Å; V626-F752 HydrophobicContact CG1-CD1 3.64Å; V626-F752 HydrophobicContact CG1-CD2 3.95Å; V626-F752 HydrophobicContact CG1-CE1 3.88Å; V626-F752 HydrophobicContact CG1-CE2 4.19Å; V626-F752 HydrophobicContact CG1-CG 3.67Å; V626-F752 HydrophobicContact CG1-CZ 4.14Å; V626-F752 HydrophobicContact CG2-CD1 3.76Å; V626-F752 HydrophobicContact CG2-CE1 4.28Å; V626-F752 HydrophobicContact CG2-CG 4.33Å; Y634-F752 AromaticContact CD1-CD2 3.74Å; Y634-F752 HydrophobicContact CD1-CD2 3.74Å; Y634-F752 AromaticContact CD1-CE2 3.33Å; Y634-F752 HydrophobicContact CD1-CE2 3.33Å; Y634-F752 HydrophobicContact CD1-CZ 4.09Å; Y634-F752 AromaticContact CD2-CE2 3.75Å; Y634-F752 HydrophobicContact CD2-CE2 3.75Å; Y634-F752 HydrophobicContact CD2-CZ 4.35Å; Y634-F752 AromaticContact CE1-CD2 3.73Å; Y634-F752 HydrophobicContact CE1-CD2 3.73Å; Y634-F752 AromaticContact CE1-CE2 3.64Å; Y634-F752 HydrophobicContact CE1-CE2 3.64Å; Y634-F752 HydrophobicContact CE2-CE2 4.05Å; Y634-F752 HydrophobicContact CG-CD2 4.27Å; Y634-F752 AromaticContact CG-CE2 3.4Å; Y634-F752 HydrophobicContact CG-CE2 3.4Å; Y634-F752 AromaticContact CG-CZ 3.86Å; Y634-F752 HydrophobicContact CG-CZ 3.86Å; Y634-F752 AromaticContact CZ-CE2 4Å; I636-F752 HydrophobicContact CD1-CE1 3.9Å; I636-F752 HydrophobicContact CD1-CZ 4.42Å; L721-F752 HydrophobicContact CD1-CE2 3.97Å; L721-F752 HydrophobicContact CD1-CZ 3.67Å; Y727-F752 PolarHBondContact N-O 3.49Å; Y727-F752 PolarHBondContact O-N 3.28Å; V729-F752 HydrophobicContact CG2-CE1 3.81Å; F752-T754 HydrophobicContact CE2-CG2 4.01Å
753T90.5Very high71.4Confident50 Ų5071.2 Ų71.231%0.30738%0.378SS..EExtended strand (participates in β ladder)trans-96.5129.5176-68.40000110.6E686 L726E686-T753 PolarHBondContact OE1-OG1 3.16Å; E686-T753 PolarHBondContact OE2-OG1 3.43Å; L726-T753 WeakPolarHBondContact CD1-OG1 3.38Å
754T90.5Very high70.1Confident3 Ų379.7 Ų79.72%0.01841%0.411CS..PPolyproline II helixtrans-72.1150.6178.856.60000111.5Y634 L721 K722 P723 N724 T725 Y727 F752Y634-T754 HydrophobicContact CD2-CG2 4.42Å; Y634-T754 HydrophobicContact CE2-CG2 3.78Å; Y634-T754 VanDerWaalsContact OH-CA 3.27Å; Y634-T754 WeakPolarHBondContact OH-CA 3.44Å; L721-T754 HydrophobicContact CB-CG2 3.85Å; L721-T754 HydrophobicContact CD1-CG2 4.05Å; K722-T754 WeakPolarHBondContact O-CB 3.19Å; K722-T754 PolarHBondContact O-OG1 2.95Å; P723-T754 VanDerWaalsContact C-OG1 3.3Å; N724-T754 WeakPolarHBondContact CA-O 3.41Å; N724-T754 PolarHBondContact N-O 3.22Å; N724-T754 PolarHBondContact N-OG1 3.41Å; T725-T754 PolarHBondContact N-OG1 2.92Å; T725-T754 PolarHBondContact O-N 3.01Å; T725-T754 PolarHBondContact O-OG1 3.28Å; Y727-T754 HydrophobicContact CD2-CG2 3.75Å; Y727-T754 HydrophobicContact CE2-CG2 4.07Å; F752-T754 HydrophobicContact CE2-CG2 4.01Å
755I87.4Confident68Low38 Ų3880.6 Ų80.620%0.19543%0.425CS..PPolyproline II helixtrans-65158.1-179.561163.3000112.5S631 L632 Y634 P723 N724 M760S631-I755 VanDerWaalsContact O-CD1 3.24Å; S631-I755 WeakPolarHBondContact O-CD1 3.22Å; S631-I755 WeakPolarHBondContact O-CG1 3.3Å; L632-I755 HydrophobicContact CD2-CG1 4.41Å; Y634-I755 PolarHBondContact OH-N 3.08Å; P723-I755 WeakPolarHBondContact CA-O 3.32Å; P723-I755 WeakPolarHBondContact CB-O 3.19Å; N724-I755 PolarHBondContact N-O 3.26Å; N724-I755 VanDerWaalsContact N-O 3.07Å; I755-M760 HydrophobicContact CD1-CE 4.19Å; I755-M760 HydrophobicContact CD1-CG 4.32Å; I755-M760 HydrophobicContact CG1-CE 4.49Å
756C77.1Confident65.8Low55 Ų5583.6 Ų83.637%0.37246%0.457SS..PPolyproline II helixtrans-89.4141.4176-176.60000111.3N724 K758 Q759N724-C756 HydrophobicContact CB-CB 4.4Å; C756-K758 PolarHBondContact O-N 3.33Å; C756-Q759 PolarHBondContact O-N 3.4Å
757D61.2Low63.5Low89 Ų8987.4 Ų87.448%0.47647%0.468SS..Hα-helixtrans-52.6-28.9-177.9-80.9-19.1000114.3Q759 M760D757-Q759 VanDerWaalsContact C-N 3.33Å; D757-Q759 PolarHBondContact O-N 3.05Å; D757-M760 WeakPolarHBondContact O-CB 3.46Å; D757-M760 PolarHBondContact O-N 3.33Å
758K57.8Low61Low181 Ų18195.2 Ų95.279%0.78749%0.491SS*.Hα-helixtrans-67-31.1-179.4-70.9-175.4-179.4176.90113.1C756 M760 K761C756-K758 PolarHBondContact O-N 3.33Å; K758-M760 PolarHBondContact O-N 2.94Å; K758-K761 PolarHBondContact O-N 2.8Å
759Q54.4Low58.1Low131 Ų131105.5 Ų105.561%0.61253%0.525SS*.Hα-helixtrans-70.6-20.8176.3-77.8-173.4-10.300112.5C756 D757 K761 S762C756-Q759 PolarHBondContact O-N 3.4Å; D757-Q759 VanDerWaalsContact C-N 3.33Å; D757-Q759 PolarHBondContact O-N 3.05Å; Q759-K761 VanDerWaalsContact C-N 3.29Å; Q759-K761 PolarHBondContact O-N 3.16Å; Q759-S762 PolarHBondContact O-OG 3.46Å
760M51.7Low55.3Low59 Ų59107.4 Ų107.429%0.29154%0.539SS..Hα-helixtrans-66.6-31.5175.7-60.6-169.8-174.300112.5L632 I755 D757 K758 S762L632-M760 HydrophobicContact CD1-CE 3.96Å; L632-M760 HydrophobicContact CD2-CE 4.31Å; L632-M760 HydrophobicContact CG-CE 3.67Å; I755-M760 HydrophobicContact CD1-CE 4.19Å; I755-M760 HydrophobicContact CD1-CG 4.32Å; I755-M760 HydrophobicContact CG1-CE 4.49Å; D757-M760 WeakPolarHBondContact O-CB 3.46Å; D757-M760 PolarHBondContact O-N 3.33Å; K758-M760 PolarHBondContact O-N 2.94Å; M760-S762 PolarHBondContact O-N 3.24Å
761K47.5Very low52.3Low185 Ų185117.8 Ų117.880%0.80458%0.575SS**THydrogen-bonded Turntrans-76.9-16-176.5-73-171.5178.3-178.40114.4K758 Q759K758-K761 PolarHBondContact O-N 2.8Å; Q759-K761 VanDerWaalsContact C-N 3.29Å; Q759-K761 PolarHBondContact O-N 3.16Å
762S42.9Very low49.3Very low86 Ų86121.8 Ų121.860%0.60160%0.6SS**THydrogen-bonded Turntrans-87.3-12179.169.50000114.3Q759 M760Q759-S762 PolarHBondContact O-OG 3.46Å; M760-S762 PolarHBondContact O-N 3.24Å
763S35.5Very low46.3Very low105 Ų105130.6 Ų130.673%0.73464%0.639SS**SBendtrans-83.9-18.8-179.2-152.10000113.7
764Y33.8Very low43.2Very low224 Ų224133.1 Ų133.188%0.87867%0.665SS**SBendtrans-94.8-2.2-178.4-89.4-84000115.7G766Y764-G766 PolarHBondContact O-N 2.96Å
765S29.6Very low40.2Very low90 Ų90138 Ų13863%0.62970%0.699SS**  trans-93.198.4175.261.20000111
766G27.7Very low37.5Very low68 Ų68141.9 Ų141.970%0.70173%0.727SS**  trans-54140.6169.200000112.7Y764Y764-G766 PolarHBondContact O-N 2.96Å
767K25.5Very low35.1Very low203 Ų203145.2 Ų145.288%0.88375%0.749SS**  trans36.483.8156.3-65-178.7179.3174.90116.4
768Y28.9Very low33.7Very low226 Ų226147 Ų14789%0.88677%0.766SS**  trans-145.1114.9138.2-101.7-84.3000109.5S770Y768-S770 PolarHBondContact O-N 3.26Å; Y768-S770 VanDerWaalsContact O-N 3.15Å
769R23Very low32.4Very low256 Ų256142.3 Ų142.397%0.96676%0.76SS**  trans-61.5109.3167.2-90.1176.3166.7173.1-4.2108.1
770S27.3Very low31.3Very low94 Ų94140.1 Ų140.166%0.65777%0.765SS**  trans-138.6112.8148.169.50000108.5Y768 N772Y768-S770 PolarHBondContact O-N 3.26Å; Y768-S770 VanDerWaalsContact O-N 3.15Å; S770-N772 PolarHBondContact O-N 3.32Å
771R24.6Very low30.2Very low248 Ų248143.1 Ų143.194%0.93679%0.786SS**  trans-54.2109.4163.9-72.2173.7177.7168.1-2.4107.3
772N28Very low29.4Very low145 Ų145143 Ų14378%0.77579%0.786SS**  trans-139.4127.2157.6-89.2-31000107.7S770 A774S770-N772 PolarHBondContact O-N 3.32Å; N772-A774 PolarHBondContact O-N 3.1Å
773F26.9Very low28.9Very low207 Ų207144.6 Ų144.691%0.90879%0.792SS**  trans-48.6131.3-177-83.5-103.3000111.1S775F773-S775 PolarHBondContact O-N 3.13Å
774A26.1Very low28.6Very low103 Ų103149 Ų14985%0.85180%0.801SS**  trans-60.7100.5167.200000108.3N772N772-A774 PolarHBondContact O-N 3.1Å
775S27Very low28.6Very low105 Ų105142.1 Ų142.173%0.73479%0.79SS**PPolyproline II helixtrans-74.1131.6166.142.40000108.5F773F773-S775 PolarHBondContact O-N 3.13Å
776P30.9Very low28.7Very low120 Ų120146.3 Ų146.378%0.77980%0.8SS**PPolyproline II helixtrans-61.5139.8173.16.3-1.7000109.4
777C27.8Very low28.9Very low124 Ų124152 Ų15284%0.83881%0.805SS**PPolyproline II helixtrans-46.7126.7177.2-70.80000110.2A779C777-A779 PolarHBondContact O-N 3.37Å
778P31.1Very low29.2Very low128 Ų128152.6 Ų152.683%0.83181%0.808SS**  trans-65.2109.2175.225.2-29.4000107.4A780P778-A780 PolarHBondContact O-N 3.44Å
779A31.1Very low29.4Very low81 Ų81148.4 Ų148.467%0.66980%0.8SS**  trans-47.2128.9154.300000106.1C777 V781C777-A779 PolarHBondContact O-N 3.37Å; A779-V781 VanDerWaalsContact C-N 3.26Å; A779-V781 PolarHBondContact O-N 2.89Å
780A29.9Very low29.8Very low85 Ų85143 Ų14370%0.70279%0.788SS**  trans-56.497176.300000107.7P778 F782P778-A780 PolarHBondContact O-N 3.44Å; A780-F782 HydrophobicContact CB-CD2 4.27Å; A780-F782 PolarHBondContact O-N 3.05Å
781V29.4Very low30Very low122 Ų122148.5 Ų148.574%0.73980%0.801SS**  trans-68.684.4167.8179.50000104.5A779 T783A779-V781 VanDerWaalsContact C-N 3.26Å; A779-V781 PolarHBondContact O-N 2.89Å; V781-T783 HydrophobicContact CG1-CG2 4.23Å; V781-T783 PolarHBondContact O-N 3.14Å
782F31.6Very low30.5Very low184 Ų184142.1 Ų142.181%0.80779%0.794SS**  trans-62.699.1156.3-94.2-89.2000105.2A780 H784A780-F782 HydrophobicContact CB-CD2 4.27Å; A780-F782 PolarHBondContact O-N 3.05Å; F782-H784 PolarHBondContact O-N 3.15Å
783T30.5Very low30.7Very low118 Ų118142.5 Ų142.572%0.72480%0.796SS**  trans-55.598173.944.60000108.7V781 A785V781-T783 HydrophobicContact CG1-CG2 4.23Å; V781-T783 PolarHBondContact O-N 3.14Å; T783-A785 PolarHBondContact O-N 2.62Å
784H30.8Very low30.9Very low199 Ų199141.6 Ų141.692%0.92180%0.799SS**  trans-68.984.5163.2-96.9-82000108.2F782F782-H784 PolarHBondContact O-N 3.15Å
785A32.3Very low31.2Very low79 Ų79140 Ų14065%0.65379%0.793SS**  trans-140121.3166.300000108.2T783T783-A785 PolarHBondContact O-N 2.62Å
786Q32Very low31.7Very low177 Ų177142 Ų14283%0.82779%0.794SS**SBendtrans82.388.9-179.1-51.9-174-15.700115.2
787F32.8Very low31.9Very low188 Ų188146.8 Ų146.883%0.82580%0.798SS**  -177.372.7115.4-98.3-75.1000108I789F787-I789 VanDerWaalsContact C-N 3.31Å; F787-I789 PolarHBondContact O-N 3.12Å
788F30.4Very low32.1Very low215 Ų215150.7 Ų150.794%0.94380%0.801SS**  trans-93.161.5166.3-111.7-80.1000108.3
789I34.3Very low32.2Very low139 Ų139155.3 Ų155.371%0.71382%0.818SS**  trans-144.9135.9165.6-55.7-178.7000105.7F787F787-I789 VanDerWaalsContact C-N 3.31Å; F787-I789 PolarHBondContact O-N 3.12Å
790I32.1Very low32.3Very low141 Ų141159 Ų15972%0.72383%0.825SS**  trans97.850.8-173.9-42.5158.6000113.5
791F30.8Very low32.4Very low211 Ų211162.9 Ų162.993%0.92583%0.832SS**  trans-119.970.2146.2-98-80.1000107.8
792S34.7Very low32.6Very low113 Ų113165.2 Ų165.279%0.7984%0.837SS**  trans-149.217.2173.8-59.70000114.9
793L33.3Very low32.6Very low154 Ų154164.1 Ų164.181%0.80684%0.839SS**SBendtrans-123.113.9-176.8-91.3161.7000116.3
794L30.7Very low32.7Very low187 Ų187166.9 Ų166.998%0.97985%0.846SS**SBendtrans-105.120.8175.5-120.891.3000115.3
795G32.1Very low32.9Very low71 Ų71164.8 Ų164.873%0.73284%0.841SS**SBendtrans-116.516.4-173.200000117.2
796I36.7Very low32.9Very low147 Ų147170.9 Ų170.975%0.75485%0.854SS**  trans-134.851.5-178.9-43.9179.3000112.1
797Y36Very low33Very low219 Ų219170.5 Ų170.586%0.85986%0.856SS**  trans-132.157.9156.5-96.1-78.9000109.1
798F31.4Very low33Very low206 Ų206169 Ų16990%0.90486%0.859SS**  trans-142.368.8158.3-101.4-77.1000107.4
799L33.5Very low33.2Very low225 Ų225164.8 Ų164.8100%1.17885%0.851SS**  trans178.50159.8-99150.5000105.9

Retrieved 799 of 799 residues in 317.3 ms (Link to these results)

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