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Interleukin-10 receptor subunit alpha

Cell surface receptor for the cytokine IL10 that participates in IL10-mediated anti-inflammatory functions, limiting excessive tissue disruption caused by inflammation. Upon binding to IL10, induces a conformational change in IL10RB, allowing IL10RB to bind IL10 as well. In turn, the heterotetrameric assembly complex, composed of two subunits of IL10RA and IL10RB, activates the kinases JAK1 and TYK2 that are constitutively associated with IL10RA and IL10RB respectively. These kinases then phosphorylate specific tyrosine residues in the intracellular domain in IL10RA leading to the recruitment and subsequent phosphorylation of STAT3. Once phosphorylated, STAT3 homodimerizes, translocates to the nucleus and activates the expression of anti-inflammatory genes. In addition, IL10RA-mediated activation of STAT3 inhibits starvation-induced autophagy.

AlphaFold DB , UniProt , Accession Q99ND6, Species RAT (Rattus norvegicus, Rat), Gene Il10ra, Length 569 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
1M46.8Very low53.4Low238 Ų238135.9 Ų135.9100%1.17270%0.703SS**  0110.20-67.2174.6177.600107.9
2L51.1Low53.4Low165 Ų165133.7 Ų133.786%0.86469%0.691SS**  trans-155.535.9-175.8-14681.9000118.5
3P53.8Low53.1Low117 Ų117129.2 Ų129.276%0.7668%0.679SS**SBendtrans-130.963.8165.441.1-29.2000114.3
4R57.6Low52.9Low224 Ų224125.5 Ų125.585%0.84567%0.669SS**SBendtrans-139.8-3.4170.2-77.2-163.7173.2-179.1-2.4116.9
5L55.5Low52.5Low130 Ų130125.9 Ų125.968%0.68167%0.67SS**SBendtrans-95.5-17.5-176.5-69.6169.2000114.8F8 L9L5-F8 PolarHBondContact O-N 3.1Å; L5-L9 PolarHBondContact O-N 3.37Å
6L55.1Low52.2Low132 Ų132123.5 Ų123.569%0.69167%0.667SS**Hα-helixtrans-54.4-45.7179.3-93.2153.5000115.8F8 L9 V10L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 2.87Å; L6-L9 PolarHBondContact O-N 3.1Å; L6-V10 PolarHBondContact O-N 3.34Å
7P54Low52.1Low90 Ų90125.5 Ų125.558%0.58468%0.676SS**Hα-helixtrans-67.9-29.3-177.826.1-34.3000113.2S11P7-S11 PolarHBondContact O-N 3.01Å; P7-S11 PolarHBondContact O-OG 2.88Å
8F53Low51.8Low142 Ų142121.9 Ų121.962%0.62367%0.673SS**Hα-helixtrans-73-34.6176.9-83-80.2000112.9L5 L6 S11 I12L5-F8 PolarHBondContact O-N 3.1Å; L6-F8 VanDerWaalsContact C-N 3.3Å; L6-F8 PolarHBondContact O-N 2.87Å; F8-S11 PolarHBondContact O-N 3.47Å; F8-S11 PolarHBondContact O-OG 2.77Å; F8-I12 WeakPolarHBondContact O-CD1 3.28Å; F8-I12 VanDerWaalsContact O-CG1 3.3Å; F8-I12 WeakPolarHBondContact O-CG1 3.46Å; F8-I12 PolarHBondContact O-N 3.03Å; F8-I12 VanDerWaalsContact O-N 3.12Å
9L53.4Low51.3Low107 Ų107125.9 Ų125.956%0.5668%0.683SS**Hα-helixtrans-66.7-40.4176.6-70.5170.4000111.4L5 L6 I12 S13L5-L9 PolarHBondContact O-N 3.37Å; L6-L9 PolarHBondContact O-N 3.1Å; L9-I12 PolarHBondContact O-N 3.19Å; L9-S13 PolarHBondContact O-N 3.44Å; L9-S13 PolarHBondContact O-OG 2.87Å
10V54.5Low50.8Low99 Ų99130 Ų13060%0.669%0.688SS**Hα-helixtrans-64-43176.4178.90000111.6L6 I12 S13 S14L6-V10 PolarHBondContact O-N 3.34Å; V10-I12 PolarHBondContact O-N 3.44Å; V10-S13 PolarHBondContact O-N 3.06Å; V10-S14 PolarHBondContact O-N 3.45Å; V10-S14 PolarHBondContact O-OG 2.92Å
11S52.3Low50.4Low51 Ų51127 Ų12736%0.35768%0.682SS.*Hα-helixtrans-65.9-37.6178.858.50000112.6P7 F8 S14 L15P7-S11 PolarHBondContact O-N 3.01Å; P7-S11 PolarHBondContact O-OG 2.88Å; F8-S11 PolarHBondContact O-N 3.47Å; F8-S11 PolarHBondContact O-OG 2.77Å; S11-S14 WeakPolarHBondContact CA-OG 3.29Å; S11-S14 PolarHBondContact O-N 3.36Å; S11-S14 PolarHBondContact O-OG 2.88Å; S11-L15 PolarHBondContact O-N 3.35Å; S11-L15 VanDerWaalsContact O-N 3.12Å
12I54.3Low50.1Low109 Ų109125.6 Ų125.656%0.55967%0.672SS**Hα-helixtrans-65.3-43.8173.7-67.7163.9000111F8 L9 V10 S14 L15 S16F8-I12 WeakPolarHBondContact O-CD1 3.28Å; F8-I12 VanDerWaalsContact O-CG1 3.3Å; F8-I12 WeakPolarHBondContact O-CG1 3.46Å; F8-I12 PolarHBondContact O-N 3.03Å; F8-I12 VanDerWaalsContact O-N 3.12Å; L9-I12 PolarHBondContact O-N 3.19Å; V10-I12 PolarHBondContact O-N 3.44Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.4Å; I12-L15 PolarHBondContact O-N 2.88Å; I12-L15 VanDerWaalsContact O-N 3.13Å; I12-S16 PolarHBondContact O-N 2.88Å; I12-S16 PolarHBondContact O-OG 3.34Å
13S49.7Very low50.1Low76 Ų76121 Ų12153%0.53167%0.665SS.*Hα-helixtrans-61.6-32.6175.1-64.40000113.3L9 V10 S16L9-S13 PolarHBondContact O-N 3.44Å; L9-S13 PolarHBondContact O-OG 2.87Å; V10-S13 PolarHBondContact O-N 3.06Å; S13-S16 WeakPolarHBondContact CA-OG 3.3Å; S13-S16 PolarHBondContact O-OG 3.19Å
14S49.2Very low50.5Low77 Ų77120 Ų12054%0.53866%0.657SS.*Hα-helixtrans-73.9-29.3173.961.80000114.1V10 S11 I12V10-S14 PolarHBondContact O-N 3.45Å; V10-S14 PolarHBondContact O-OG 2.92Å; S11-S14 WeakPolarHBondContact CA-OG 3.29Å; S11-S14 PolarHBondContact O-N 3.36Å; S11-S14 PolarHBondContact O-OG 2.88Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.4Å
15L47.3Very low51.6Low132 Ų132115.3 Ų115.369%0.69164%0.644SS**Hα-helixtrans-78.2-31.6174.6-98.269.2000112.7S11 I12 L17 G18S11-L15 PolarHBondContact O-N 3.35Å; S11-L15 VanDerWaalsContact O-N 3.12Å; I12-L15 PolarHBondContact O-N 2.88Å; I12-L15 VanDerWaalsContact O-N 3.13Å; L15-L17 PolarHBondContact O-N 2.96Å; L15-L17 VanDerWaalsContact O-N 3.17Å; L15-G18 PolarHBondContact O-N 3.41Å; L15-G18 VanDerWaalsContact O-N 3.11Å
16S47.8Very low53.3Low87 Ų87110.1 Ų110.161%0.60862%0.617SS**THydrogen-bonded Turntrans-65-15.1175.749.90000114.3I12 S13 G18I12-S16 PolarHBondContact O-N 2.88Å; I12-S16 PolarHBondContact O-OG 3.34Å; S13-S16 WeakPolarHBondContact CA-OG 3.3Å; S13-S16 PolarHBondContact O-OG 3.19Å; S16-G18 VanDerWaalsContact C-N 3.33Å
17L50.8Low55.1Low158 Ų158106.4 Ų106.483%0.82760%0.601SS**THydrogen-bonded Turntrans-87.51.7175.7-130.771.9000113.7L15L15-L17 PolarHBondContact O-N 2.96Å; L15-L17 VanDerWaalsContact O-N 3.17Å
18G46.8Very low57Low61 Ų61104.2 Ų104.263%0.62959%0.588SS**SBendtrans-89.9-18.5-177.300000116L15 S16 R20L15-G18 PolarHBondContact O-N 3.41Å; L15-G18 VanDerWaalsContact O-N 3.11Å; S16-G18 VanDerWaalsContact C-N 3.33Å; G18-R20 PolarHBondContact O-N 3.35Å
19F42.1Very low59.1Low197 Ų19797.5 Ų97.586%0.86456%0.559SS**  trans-98.278.5178.8-85.4-87.4000111.8A21F19-A21 PolarHBondContact O-N 3.48Å; F19-A21 VanDerWaalsContact O-N 3.11Å
20R41.5Very low61Low207 Ų20796.9 Ų96.978%0.78156%0.563SS**  trans-64.2107.3153.8176.2-176.7-78.2-166-4.5106.7G18 H22G18-R20 PolarHBondContact O-N 3.35Å; R20-H22 PolarHBondContact O-N 2.95Å
21A41.5Very low63Low68 Ų6894 Ų9456%0.56255%0.547SS*.  trans-58131.4176.500000110.2F19 G23F19-A21 PolarHBondContact O-N 3.48Å; F19-A21 VanDerWaalsContact O-N 3.11Å; A21-G23 PolarHBondContact O-N 3.25Å
22H41.9Very low65.2Low208 Ų20891.9 Ų91.996%0.96353%0.533SS*.SBendtrans-75.147.2175.7-73.3-85.9000112R20R20-H22 PolarHBondContact O-N 2.95Å
23G51Low67.3Low69 Ų6991.6 Ų91.671%0.71152%0.524SS*.  trans-136.228.4-17800000112.5A21A21-G23 PolarHBondContact O-N 3.25Å
24T61.5Low69.5Low95 Ų9589.4 Ų89.458%0.58351%0.506SS*.  trans-116.819.8-17963.70000112.8
25E79.9Confident71.8Confident126 Ų12687.9 Ų87.959%0.58949%0.49SS*.SBendtrans-118129175-172.9170.1-172.500107.7P27 N112E25-P27 WeakPolarHBondContact O-CD 3.32Å; E25-N112 PolarHBondContact OE1-ND2 2.98Å
26L91Very high74.2Confident21 Ų2181.7 Ų81.711%0.1146%0.457CS..PPolyproline II helixtrans-66.1121.3-178.7-172.672.4000108.6I48 A104 D106 Q109 S111L26-I48 HydrophobicContact CD1-CD1 3.94Å; L26-I48 HydrophobicContact CG-CD1 4.34Å; L26-A104 HydrophobicContact CD2-CB 3.9Å; L26-A104 HydrophobicContact CG-CB 4.43Å; L26-D106 HydrophobicContact CD1-CB 4.02Å; L26-D106 HydrophobicContact CD2-CB 4.18Å; L26-Q109 HydrophobicContact CB-CB 4.34Å; L26-S111 VanDerWaalsContact O-CA 3.29Å; L26-S111 WeakPolarHBondContact O-CA 3.08Å; L26-S111 WeakPolarHBondContact O-CB 3.49Å
27P93.5Very high76.5Confident54 Ų5480 Ų8035%0.35144%0.438SS..PPolyproline II helixtrans-61.1143.2-179.321.9-31.3000111E25 I48 P49 S111E25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-I48 HydrophobicContact CG-CB 4.24Å; P27-I48 HydrophobicContact CG-CD1 4.48Å; P27-I48 WeakPolarHBondContact O-CG2 3.34Å; P27-P49 HydrophobicContact CB-CG 4.1Å; P27-P49 HydrophobicContact CG-CG 3.92Å; P27-S111 WeakPolarHBondContact O-CB 3.33Å
28S94.7Very high78.7Confident45 Ų4572.7 Ų72.732%0.31540%0.399SS..PPolyproline II helixtrans-85.2158.2176.158.30000111.6S30 S111 N112 T114S28-S30 PolarHBondContact O-N 2.99Å; S28-S111 WeakPolarHBondContact CA-OG 3.47Å; S28-N112 VanDerWaalsContact CB-O 3.25Å; S28-N112 WeakPolarHBondContact CB-O 3.19Å; S28-T114 WeakPolarHBondContact CB-OG1 3.44Å
29P95.7Very high81.1Confident1 Ų170.1 Ų70.11%0.00637%0.371CS..PPolyproline II helixtrans-50.3133.5169.5-26.835000110.9S31 V32 W45 M46 Y57 V102 T114P29-S31 VanDerWaalsContact C-N 3.33Å; P29-S31 PolarHBondContact O-N 3.5Å; P29-V32 HydrophobicContact CB-CG2 4.32Å; P29-W45 HydrophobicContact CB-CB 4.22Å; P29-M46 WeakPolarHBondContact CB-O 3.29Å; P29-Y57 HydrophobicContact CG-CD1 4.17Å; P29-Y57 HydrophobicContact CG-CE1 4.03Å; P29-V102 HydrophobicContact CG-CB 4.4Å; P29-V102 HydrophobicContact CG-CG1 4.13Å; P29-T114 WeakPolarHBondContact O-CB 3.29Å; P29-T114 VanDerWaalsContact O-CG2 3.3Å; P29-T114 WeakPolarHBondContact O-CG2 3.2Å; P29-T114 PolarHBondContact O-OG1 2.8Å
30S94.6Very high83.7Confident94 Ų9464.6 Ų64.666%0.65735%0.348SS*.SBendtrans-72-27.3-175.455.80000113.6S28 M46S28-S30 PolarHBondContact O-N 2.99Å; S30-M46 WeakPolarHBondContact OG-CB 3.23Å
31S96.6Very high86.3Confident37 Ų3754.8 Ų54.826%0.25931%0.311SS..  trans-149.8156.1171.262.90000111.4P29 W33 W45 M46P29-S31 VanDerWaalsContact C-N 3.33Å; P29-S31 PolarHBondContact O-N 3.5Å; S31-W33 WeakPolarHBondContact OG-CZ3 3.36Å; S31-W45 VanDerWaalsContact O-CA 3.25Å; S31-W45 WeakPolarHBondContact O-CA 3.49Å; S31-W45 WeakPolarHBondContact O-CB 3.35Å; S31-M46 PolarHBondContact O-N 3.48Å; S31-M46 VanDerWaalsContact O-N 3.11Å; S31-M46 WeakPolarHBondContact OG-CG 3.4Å
32V97.8Very high88.9Confident8 Ų852.9 Ų52.95%0.04829%0.291CS..EExtended strand (participates in β ladder)trans-139.1126.4177.8177.90000107.7P29 L43 R44 W45 V102 T114 T116P29-V32 HydrophobicContact CB-CG2 4.32Å; V32-L43 HydrophobicContact CG1-CD1 3.89Å; V32-L43 HydrophobicContact CG1-CD2 4.18Å; V32-L43 HydrophobicContact CG1-CG 4.14Å; V32-R44 WeakPolarHBondContact CA-O 3.43Å; V32-W45 HydrophobicContact CB-CB 4.49Å; V32-W45 HydrophobicContact CG2-CB 3.89Å; V32-V102 HydrophobicContact CG1-CG2 3.76Å; V32-V102 HydrophobicContact CG2-CB 3.9Å; V32-V102 HydrophobicContact CG2-CG2 3.94Å; V32-T114 HydrophobicContact CB-CG2 4.31Å; V32-T114 HydrophobicContact CG2-CG2 3.62Å; V32-T116 HydrophobicContact CG1-CG2 3.85Å; V32-T116 WeakPolarHBondContact O-CA 3.35Å
33W97.8Very high91.6Very high102 Ų10243 Ų4339%0.38625%0.245SC..EExtended strand (participates in β ladder)trans-147165-176.969.2100.5000111.8S31 L43 R44 M46S31-W33 WeakPolarHBondContact OG-CZ3 3.36Å; W33-L43 WeakPolarHBondContact O-CD1 3.47Å; W33-R44 HydrophobicContact CD2-CB 4.12Å; W33-R44 HydrophobicContact CH2-CB 4.11Å; W33-R44 HydrophobicContact CZ2-CB 3.62Å; W33-R44 PolarHBondContact N-O 3.42Å; W33-R44 PolarHBondContact O-N 3.49Å; W33-R44 VanDerWaalsContact O-O 3.13Å; W33-M46 HydrophobicContact CH2-CG 4.34Å; W33-M46 HydrophobicContact CH2-SD 4.18Å; W33-M46 HydrophobicContact CZ3-CG 4.06Å; W33-M46 HydrophobicContact CZ3-SD 4.49Å
34F97.4Very high93.8Very high31 Ų3143.3 Ų43.314%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-95.9136.1169.8-77.5-91.8000110.3I42 L43 L61 L85 A100 T116 F120F34-I42 CarbonylContact C-O 3.55Å; F34-I42 WeakPolarHBondContact CA-O 3.43Å; F34-L43 HydrophobicContact CD1-CD1 4.17Å; F34-L43 HydrophobicContact CD2-CD1 3.83Å; F34-L43 HydrophobicContact CE1-CB 4.46Å; F34-L43 HydrophobicContact CE1-CD1 4.04Å; F34-L43 HydrophobicContact CE2-CD1 3.67Å; F34-L43 HydrophobicContact CG-CD1 4.1Å; F34-L43 HydrophobicContact CZ-CD1 3.79Å; F34-L61 HydrophobicContact CZ-CD1 4.45Å; F34-L85 HydrophobicContact CE1-CB 4.41Å; F34-L85 HydrophobicContact CE1-CD1 3.78Å; F34-L85 HydrophobicContact CZ-CD1 3.85Å; F34-A100 HydrophobicContact CE2-CB 3.79Å; F34-A100 HydrophobicContact CZ-CB 3.81Å; F34-T116 HydrophobicContact CD2-CG2 4.04Å; F34-T116 HydrophobicContact CE2-CG2 3.96Å; F34-F120 HydrophobicContact CB-CD2 3.92Å; F34-F120 HydrophobicContact CB-CE2 4.08Å; F34-F120 HydrophobicContact CB-CG 4.41Å; F34-F120 AromaticContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD2 4.24Å; F34-F120 AromaticContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE2 4.25Å; F34-F120 HydrophobicContact CD1-CG 4.09Å; F34-F120 HydrophobicContact CD1-CZ 4.06Å; F34-F120 HydrophobicContact CD2-CB 3.62Å; F34-F120 HydrophobicContact CD2-CD1 4.09Å; F34-F120 AromaticContact CD2-CD2 3.99Å; F34-F120 HydrophobicContact CD2-CD2 3.99Å; F34-F120 AromaticContact CD2-CG 3.64Å; F34-F120 HydrophobicContact CD2-CG 3.64Å; F34-F120 AromaticContact CE1-CD1 3.65Å; F34-F120 HydrophobicContact CE1-CD1 3.65Å; F34-F120 AromaticContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CG 4.2Å; F34-F120 HydrophobicContact CE1-CZ 4.45Å; F34-F120 HydrophobicContact CE2-CB 3.57Å; F34-F120 AromaticContact CE2-CD1 3.88Å; F34-F120 HydrophobicContact CE2-CD1 3.88Å; F34-F120 AromaticContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CG-CB 4.29Å; F34-F120 HydrophobicContact CG-CD1 4.08Å; F34-F120 AromaticContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CE1 4.37Å; F34-F120 HydrophobicContact CG-CE2 4.14Å; F34-F120 AromaticContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CZ 4.41Å; F34-F120 HydrophobicContact CZ-CB 4.21Å; F34-F120 AromaticContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CE1 4.27Å; F34-F120 HydrophobicContact CZ-CG 4.04Å
35E96.9Very high95.4Very high45 Ų4539 Ų3921%0.2120%0.198CC..EExtended strand (participates in β ladder)trans-107100155.7-172.3-167.8151.400106.6R37 I42 R44 I126E35-R37 IonicContact OE1-CZ 2.78Å; E35-R37 VanDerWaalsContact OE1-CZ 3.27Å; E35-R37 IonicContact OE1-NH1 3.79Å; E35-R37 PolarHBondContact OE1-NH1 3.39Å; E35-R37 IonicContact OE1-NH2 3.18Å; E35-R37 PolarHBondContact OE1-NH2 2.88Å; E35-I42 PolarHBondContact N-O 3.28Å; E35-I42 WeakPolarHBondContact O-CB 3.49Å; E35-I42 PolarHBondContact O-N 2.95Å; E35-I42 VanDerWaalsContact O-N 3.14Å; E35-R44 IonicContact OE1-NH2 2.78Å; E35-R44 IonicContact OE2-CZ 2.66Å; E35-R44 IonicContact OE2-NE 3.68Å; E35-R44 PolarHBondContact OE2-NE 2.99Å; E35-R44 IonicContact OE2-NH2 3.23Å; E35-R44 PolarHBondContact OE2-NH2 3.37Å; E35-I126 HydrophobicContact CG-CD1 4.43Å
36A97.3Very high96.2Very high1 Ų137.1 Ų37.11%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-113.9132.7-174.600000111.2Q40 F120 V125 I126A36-Q40 CarbonylContact C-O 3.57Å; A36-Q40 VanDerWaalsContact CA-O 3.28Å; A36-Q40 WeakPolarHBondContact CA-O 3.31Å; A36-F120 HydrophobicContact CB-CE2 3.46Å; A36-F120 VanDerWaalsContact CB-CE2 3.46Å; A36-F120 HydrophobicContact CB-CZ 3.61Å; A36-V125 HydrophobicContact CB-CG2 4.28Å; A36-I126 WeakPolarHBondContact O-CB 3.48Å; A36-I126 WeakPolarHBondContact O-CG1 3.24Å; A36-I126 PolarHBondContact O-N 3.32Å
37R96.9Very high96.3Very high51 Ų5138.5 Ų38.519%0.19220%0.202CC..EExtended strand (participates in β ladder)trans-114.6176.8162.2-68.1175.7-174.881.612.1108.4E35 F39 Q40 I126 T128 E218E35-R37 IonicContact OE1-CZ 2.78Å; E35-R37 VanDerWaalsContact OE1-CZ 3.27Å; E35-R37 IonicContact OE1-NH1 3.79Å; E35-R37 PolarHBondContact OE1-NH1 3.39Å; E35-R37 IonicContact OE1-NH2 3.18Å; E35-R37 PolarHBondContact OE1-NH2 2.88Å; R37-F39 PolarHBondContact O-N 3.28Å; R37-F39 VanDerWaalsContact O-N 3.15Å; R37-Q40 HydrophobicContact CB-CB 4.28Å; R37-Q40 PolarHBondContact N-O 2.88Å; R37-Q40 PolarHBondContact O-N 2.96Å; R37-I126 HydrophobicContact CG-CB 4.3Å; R37-T128 HydrophobicContact CG-CG2 3.99Å; R37-E218 IonicContact CZ-OE1 3.65Å; R37-E218 IonicContact CZ-OE2 2.71Å; R37-E218 IonicContact NE-OE1 3.51Å; R37-E218 IonicContact NE-OE2 3.12Å; R37-E218 PolarHBondContact NE-OE2 2.91Å; R37-E218 IonicContact NH2-OE1 2.73Å; R37-E218 PolarHBondContact NH2-OE1 3.42Å; R37-E218 IonicContact NH2-OE2 2.75Å; R37-E218 PolarHBondContact NH2-OE2 2.87Å
38F96.9Very high96.3Very high6 Ų636.3 Ų36.33%0.02619%0.187CC..THydrogen-bonded Turntrans-56.2120.7-179-169.4-112.6000110.8Q40 Y93 P148 P150 V153 D157 Y159 I162 F163F38-Q40 PolarHBondContact O-N 3.35Å; F38-Q40 VanDerWaalsContact O-N 3.11Å; F38-Y93 WeakPolarHBondContact CA-OH 3.4Å; F38-Y93 HydrophobicContact CD2-CE1 4.19Å; F38-Y93 AromaticContact CD2-CZ 3.9Å; F38-Y93 HydrophobicContact CE2-CE1 4.19Å; F38-Y93 HydrophobicContact CE2-CE2 4.47Å; F38-P148 HydrophobicContact CB-CB 4.22Å; F38-P148 HydrophobicContact CB-CG 3.71Å; F38-P148 HydrophobicContact CD1-CB 4.31Å; F38-P148 HydrophobicContact CD1-CG 3.92Å; F38-P148 WeakPolarHBondContact CD1-O 3.45Å; F38-P148 HydrophobicContact CG-CG 4.05Å; F38-P150 HydrophobicContact CD1-CG 4.4Å; F38-P150 VanDerWaalsContact O-CG 3.23Å; F38-P150 WeakPolarHBondContact O-CG 3.47Å; F38-V153 HydrophobicContact CE1-CG2 4.41Å; F38-D157 WeakPolarHBondContact CZ-O 3.21Å; F38-Y159 HydrophobicContact CB-CD2 4.42Å; F38-Y159 HydrophobicContact CD1-CD2 4.07Å; F38-Y159 AromaticContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CE1-CD2 4.3Å; F38-Y159 HydrophobicContact CE2-CD2 4.13Å; F38-Y159 AromaticContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CZ-CD2 4.33Å; F38-I162 HydrophobicContact CE2-CB 4.16Å; F38-I162 HydrophobicContact CE2-CG1 4.13Å; F38-I162 HydrophobicContact CE2-CG2 4.23Å; F38-I162 HydrophobicContact CZ-CG1 4.22Å; F38-F163 AromaticContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CE2-CE2 4Å
39F96.3Very high96.1Very high6 Ų638.3 Ų38.33%0.02620%0.199CC..THydrogen-bonded Turntrans41.742.6-170.9-74.7-85.5000114.7R37 T86 L90 Y93 P150 L152 V153 P154 D157R37-F39 PolarHBondContact O-N 3.28Å; R37-F39 VanDerWaalsContact O-N 3.15Å; F39-T86 WeakPolarHBondContact O-CG2 3.41Å; F39-L90 HydrophobicContact CD1-CD2 3.84Å; F39-L90 HydrophobicContact CE1-CB 4.39Å; F39-L90 HydrophobicContact CE1-CD2 4.08Å; F39-L90 WeakPolarHBondContact CE1-O 3.44Å; F39-Y93 HydrophobicContact CD1-CE2 4.06Å; F39-Y93 HydrophobicContact CD2-CD2 4.33Å; F39-Y93 AromaticContact CD2-CE2 3.61Å; F39-Y93 HydrophobicContact CD2-CE2 3.61Å; F39-Y93 AromaticContact CE1-CD2 3.94Å; F39-Y93 HydrophobicContact CE1-CD2 3.94Å; F39-Y93 AromaticContact CE1-CE2 3.77Å; F39-Y93 HydrophobicContact CE1-CE2 3.77Å; F39-Y93 AromaticContact CE2-CD2 3.55Å; F39-Y93 HydrophobicContact CE2-CD2 3.55Å; F39-Y93 AromaticContact CE2-CE2 3.29Å; F39-Y93 HydrophobicContact CE2-CE2 3.29Å; F39-Y93 AromaticContact CG-CE2 3.99Å; F39-Y93 HydrophobicContact CG-CE2 3.99Å; F39-Y93 AromaticContact CZ-CD2 3.31Å; F39-Y93 HydrophobicContact CZ-CD2 3.31Å; F39-Y93 AromaticContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CG 4.49Å; F39-Y93 PolarHBondContact N-OH 2.79Å; F39-Y93 VanDerWaalsContact N-OH 3.09Å; F39-P150 HydrophobicContact CB-CB 4.27Å; F39-P150 HydrophobicContact CB-CG 4.06Å; F39-L152 WeakPolarHBondContact CD1-O 3.31Å; F39-V153 HydrophobicContact CB-CG2 4.06Å; F39-V153 HydrophobicContact CD2-CB 4.44Å; F39-V153 HydrophobicContact CD2-CG1 4.25Å; F39-V153 HydrophobicContact CD2-CG2 3.81Å; F39-V153 HydrophobicContact CE2-CG1 4.09Å; F39-V153 HydrophobicContact CE2-CG2 4.46Å; F39-V153 HydrophobicContact CG-CG2 3.97Å; F39-P154 HydrophobicContact CE1-CG 3.9Å; F39-P154 VanDerWaalsContact CZ-CD 3.41Å; F39-P154 HydrophobicContact CZ-CG 4.14Å; F39-D157 HydrophobicContact CE2-CB 3.87Å; F39-D157 WeakPolarHBondContact CE2-O 3.5Å; F39-D157 HydrophobicContact CZ-CB 3.64Å
40Q96.2Very high95.5Very high82 Ų8246.2 Ų46.238%0.38324%0.241SC..EExtended strand (participates in β ladder)trans-145.492.3170.9-174.4-172.135.200108.8A36 R37 F38 I42A36-Q40 CarbonylContact C-O 3.57Å; A36-Q40 VanDerWaalsContact CA-O 3.28Å; A36-Q40 WeakPolarHBondContact CA-O 3.31Å; R37-Q40 HydrophobicContact CB-CB 4.28Å; R37-Q40 PolarHBondContact N-O 2.88Å; R37-Q40 PolarHBondContact O-N 2.96Å; F38-Q40 PolarHBondContact O-N 3.35Å; F38-Q40 VanDerWaalsContact O-N 3.11Å; Q40-I42 HydrophobicContact CG-CD1 4.23Å; Q40-I42 HydrophobicContact CG-CG1 4.28Å
41H96.7Very high95Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-109.682.6-168-52.9154000111.1L85 T86 T89 Y93 F120H41-L85 PolarHBondContact O-N 3.1Å; H41-T86 PolarHBondContact N-OG1 2.99Å; H41-T89 PolarHBondContact ND1-OG1 3.02Å; H41-Y93 AromaticContact NE2-CE2 3.99Å; H41-Y93 AromaticContact NE2-CZ 3.9Å; H41-Y93 PolarHBondContact NE2-OH 3.34Å; H41-F120 HydrophobicContact CB-CE1 4.02Å; H41-F120 HydrophobicContact CB-CZ 3.99Å; H41-F120 AromaticContact CD2-CZ 3.88Å; H41-F120 AromaticContact CG-CE1 3.98Å; H41-F120 AromaticContact CG-CZ 3.8Å
42I96.7Very high94.4Very high28 Ų2845.3 Ų45.314%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-90.5122.6-176.8-57.2174.4000109.7F34 E35 Q40 R44F34-I42 CarbonylContact C-O 3.55Å; F34-I42 WeakPolarHBondContact CA-O 3.43Å; E35-I42 PolarHBondContact N-O 3.28Å; E35-I42 WeakPolarHBondContact O-CB 3.49Å; E35-I42 PolarHBondContact O-N 2.95Å; E35-I42 VanDerWaalsContact O-N 3.14Å; Q40-I42 HydrophobicContact CG-CD1 4.23Å; Q40-I42 HydrophobicContact CG-CG1 4.28Å; I42-R44 HydrophobicContact CG2-CG 4.23Å
43L97.7Very high93.8Very high0 Ų054 Ų540%027%0.266CS..EExtended strand (participates in β ladder)trans-81.7137166.1-166.674.4000109.4V32 W33 F34 W45 V59 S82 C83 L85 A100 V102 T116V32-L43 HydrophobicContact CG1-CD1 3.89Å; V32-L43 HydrophobicContact CG1-CD2 4.18Å; V32-L43 HydrophobicContact CG1-CG 4.14Å; W33-L43 WeakPolarHBondContact O-CD1 3.47Å; F34-L43 HydrophobicContact CD1-CD1 4.17Å; F34-L43 HydrophobicContact CD2-CD1 3.83Å; F34-L43 HydrophobicContact CE1-CB 4.46Å; F34-L43 HydrophobicContact CE1-CD1 4.04Å; F34-L43 HydrophobicContact CE2-CD1 3.67Å; F34-L43 HydrophobicContact CG-CD1 4.1Å; F34-L43 HydrophobicContact CZ-CD1 3.79Å; L43-W45 HydrophobicContact CD2-CE3 4.28Å; L43-W45 HydrophobicContact CD2-CZ3 4.22Å; L43-W45 HydrophobicContact CG-CE3 4.32Å; L43-W45 HydrophobicContact CG-CZ3 4.43Å; L43-V59 HydrophobicContact CD2-CG1 3.54Å; L43-S82 CarbonylContact O-C 3.56Å; L43-S82 WeakPolarHBondContact O-CA 3.34Å; L43-S82 WeakPolarHBondContact O-CB 3.34Å; L43-C83 HydrophobicContact CB-CB 4.4Å; L43-C83 PolarHBondContact N-O 2.84Å; L43-C83 PolarHBondContact O-N 2.82Å; L43-L85 HydrophobicContact CB-CD1 3.95Å; L43-L85 HydrophobicContact CB-CG 4.27Å; L43-L85 HydrophobicContact CD2-CD1 4.22Å; L43-L85 HydrophobicContact CG-CD1 4.5Å; L43-A100 HydrophobicContact CD1-CB 3.53Å; L43-A100 HydrophobicContact CD2-CB 3.82Å; L43-A100 HydrophobicContact CG-CB 4.35Å; L43-V102 HydrophobicContact CD2-CG2 3.66Å; L43-T116 HydrophobicContact CD1-CG2 4.04Å
44R97.4Very high93.3Very high76 Ų7651.9 Ų51.929%0.28727%0.267SS..EExtended strand (participates in β ladder)trans-127.8158.5171.9-62.6-162.4-170-81.93.7111.3V32 W33 E35 I42V32-R44 WeakPolarHBondContact CA-O 3.43Å; W33-R44 HydrophobicContact CD2-CB 4.12Å; W33-R44 HydrophobicContact CH2-CB 4.11Å; W33-R44 HydrophobicContact CZ2-CB 3.62Å; W33-R44 PolarHBondContact N-O 3.42Å; W33-R44 PolarHBondContact O-N 3.49Å; W33-R44 VanDerWaalsContact O-O 3.13Å; E35-R44 IonicContact OE1-NH2 2.78Å; E35-R44 IonicContact OE2-CZ 2.66Å; E35-R44 IonicContact OE2-NE 3.68Å; E35-R44 PolarHBondContact OE2-NE 2.99Å; E35-R44 IonicContact OE2-NH2 3.23Å; E35-R44 PolarHBondContact OE2-NH2 3.37Å; I42-R44 HydrophobicContact CG2-CG 4.23Å
45W96.4Very high93Very high4 Ų450.5 Ų50.52%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-151.4158.9175.456.393.4000111.4P29 S31 V32 L43 Y57 V59 A78 T80 L81 S82 C83 V102P29-W45 HydrophobicContact CB-CB 4.22Å; S31-W45 VanDerWaalsContact O-CA 3.25Å; S31-W45 WeakPolarHBondContact O-CA 3.49Å; S31-W45 WeakPolarHBondContact O-CB 3.35Å; V32-W45 HydrophobicContact CB-CB 4.49Å; V32-W45 HydrophobicContact CG2-CB 3.89Å; L43-W45 HydrophobicContact CD2-CE3 4.28Å; L43-W45 HydrophobicContact CD2-CZ3 4.22Å; L43-W45 HydrophobicContact CG-CE3 4.32Å; L43-W45 HydrophobicContact CG-CZ3 4.43Å; W45-Y57 AromaticContact CD1-CD1 3.87Å; W45-Y57 AromaticContact CD1-CE1 3.92Å; W45-Y57 AromaticContact CE2-CD2 3.97Å; W45-Y57 AromaticContact CE2-CG 3.75Å; W45-Y57 HydrophobicContact CZ2-CD2 4.06Å; W45-Y57 AromaticContact CZ2-CG 3.93Å; W45-Y57 HydrophobicContact CZ2-CG 3.93Å; W45-Y57 AromaticContact NE1-CD1 3.35Å; W45-Y57 VanDerWaalsContact NE1-CD1 3.35Å; W45-Y57 AromaticContact NE1-CD2 3.27Å; W45-Y57 VanDerWaalsContact NE1-CD2 3.27Å; W45-Y57 AromaticContact NE1-CE1 3.67Å; W45-Y57 AromaticContact NE1-CE2 3.62Å; W45-Y57 AromaticContact NE1-CG 3.14Å; W45-Y57 AromaticContact NE1-CZ 3.83Å; W45-V59 HydrophobicContact CH2-CG2 3.78Å; W45-V59 HydrophobicContact CZ3-CG2 3.94Å; W45-A78 HydrophobicContact CH2-CB 4.24Å; W45-A78 HydrophobicContact CZ2-CB 4.19Å; W45-T80 WeakPolarHBondContact CZ2-O 3.5Å; W45-L81 PolarHBondContact N-O 3.23Å; W45-S82 VanDerWaalsContact CH2-C 3.47Å; W45-C83 HydrophobicContact CH2-CB 3.81Å; W45-C83 HydrophobicContact CZ3-CB 3.7Å; W45-V102 HydrophobicContact CD2-CB 4.48Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CD2-CG2 4.04Å; W45-V102 HydrophobicContact CE3-CG1 4.38Å; W45-V102 HydrophobicContact CE3-CG2 3.77Å; W45-V102 HydrophobicContact CG-CG1 4.07Å; W45-V102 HydrophobicContact CG-CG2 4.39Å; W45-V102 HydrophobicContact CZ2-CG1 4.47Å; W45-V102 HydrophobicContact CZ3-CG2 4.3Å
46M95.3Very high92.8Very high87 Ų8750.7 Ų50.743%0.42926%0.261SS..PPolyproline II helixtrans-76.3146.1171.7-70.7-61.2-68.900110.9P29 S30 S31 W33P29-M46 WeakPolarHBondContact CB-O 3.29Å; S30-M46 WeakPolarHBondContact OG-CB 3.23Å; S31-M46 PolarHBondContact O-N 3.48Å; S31-M46 VanDerWaalsContact O-N 3.11Å; S31-M46 WeakPolarHBondContact OG-CG 3.4Å; W33-M46 HydrophobicContact CH2-CG 4.34Å; W33-M46 HydrophobicContact CH2-SD 4.18Å; W33-M46 HydrophobicContact CZ3-CG 4.06Å; W33-M46 HydrophobicContact CZ3-SD 4.49Å
47S93.8Very high92.7Very high51 Ų5150.7 Ų50.736%0.35726%0.26SS..PPolyproline II helixtrans-64.8156.7170.648.60000112Y57S47-Y57 WeakPolarHBondContact CA-OH 3.38Å
48I93.6Very high92.6Very high7 Ų750 Ų504%0.03626%0.26CS..PPolyproline II helixtrans-78.3148.6171.268.1167.8000111L26 P27 Q51 T55 Y57 A104L26-I48 HydrophobicContact CD1-CD1 3.94Å; L26-I48 HydrophobicContact CG-CD1 4.34Å; P27-I48 HydrophobicContact CG-CB 4.24Å; P27-I48 HydrophobicContact CG-CD1 4.48Å; P27-I48 WeakPolarHBondContact O-CG2 3.34Å; I48-Q51 HydrophobicContact CG1-CB 3.91Å; I48-Q51 HydrophobicContact CG1-CG 4.31Å; I48-Q51 PolarHBondContact O-N 2.96Å; I48-T55 HydrophobicContact CD1-CG2 3.81Å; I48-T55 HydrophobicContact CG1-CG2 4.3Å; I48-Y57 HydrophobicContact CG2-CE1 4.11Å; I48-Y57 PolarHBondContact N-OH 2.87Å; I48-A104 HydrophobicContact CD1-CB 4.1Å; I48-A104 HydrophobicContact CG2-CB 3.73Å
49P89.3Confident92.6Very high87 Ų8749.9 Ų49.957%0.56526%0.259SS*.THydrogen-bonded Turntrans-63.5140.3170.927.5-33.9000110.2P27 Q51P27-P49 HydrophobicContact CB-CG 4.1Å; P27-P49 HydrophobicContact CG-CG 3.92Å; P49-Q51 VanDerWaalsContact C-N 3.31Å; P49-Q51 PolarHBondContact O-N 3.27Å
50N84.1Confident92.6Very high168 Ų16849.6 Ų49.690%0.89826%0.258SS*.THydrogen-bonded Turntrans57.636.1-176.9-52.2-31.4000114.3S52N50-S52 PolarHBondContact O-N 3.47Å
51Q83.7Confident92.6Very high74 Ų7446.1 Ų46.135%0.34624%0.242SC..  trans-51.8128.1173.9-175.1173.3-22.500111.7I48 P49 T55 Y57I48-Q51 HydrophobicContact CG1-CB 3.91Å; I48-Q51 HydrophobicContact CG1-CG 4.31Å; I48-Q51 PolarHBondContact O-N 2.96Å; P49-Q51 VanDerWaalsContact C-N 3.31Å; P49-Q51 PolarHBondContact O-N 3.27Å; Q51-T55 HydrophobicContact CG-CG2 3.88Å; Q51-Y57 PolarHBondContact OE1-OH 3.45Å
52S85.1Confident92.6Very high37 Ų3748.7 Ų48.726%0.25925%0.253SS..  trans-91.3161.3174.963.50000111.5N50 S54 T55 D106N50-S52 PolarHBondContact O-N 3.47Å; S52-S54 PolarHBondContact O-N 2.99Å; S52-S54 PolarHBondContact OG-OG 3.49Å; S52-T55 PolarHBondContact N-OG1 3.41Å; S52-T55 VanDerWaalsContact N-OG1 3.1Å; S52-T55 VanDerWaalsContact O-CB 3.29Å; S52-T55 WeakPolarHBondContact O-CB 3.18Å; S52-T55 PolarHBondContact O-N 3.28Å; S52-T55 PolarHBondContact O-OG1 3.32Å; S52-T55 PolarHBondContact OG-N 2.87Å; S52-T55 PolarHBondContact OG-OG1 2.9Å; S52-D106 PolarHBondContact OG-OD1 3.11Å; S52-D106 VanDerWaalsContact OG-OD1 3.12Å; S52-D106 PolarHBondContact OG-OD2 2.81Å
53E84.6Confident92.6Very high191 Ų19151.1 Ų51.189%0.89326%0.262SS*.THydrogen-bonded Turntrans-61.9-24.9174.4-62.7-177.9168.900112.8
54S86.5Confident92.4Very high58 Ų5857.4 Ų57.441%0.40629%0.287SS..THydrogen-bonded Turntrans-84.3-10.3174.652.50000114.2S52 Y56 D106 N107S52-S54 PolarHBondContact O-N 2.99Å; S52-S54 PolarHBondContact OG-OG 3.49Å; S54-Y56 PolarHBondContact O-N 2.86Å; S54-D106 VanDerWaalsContact C-OD1 3.23Å; S54-D106 VanDerWaalsContact CB-OD1 3.25Å; S54-D106 WeakPolarHBondContact CB-OD1 3.49Å; S54-D106 PolarHBondContact OG-OD1 2.95Å; S54-N107 PolarHBondContact OG-ND2 2.93Å; S54-N107 VanDerWaalsContact OG-ND2 3.12Å
55T91.3Very high92.1Very high2 Ų257.5 Ų57.51%0.01231%0.312CS..  trans-68.8127.9176.7-59.10000110.5I48 Q51 S52 A104 V105 D106I48-T55 HydrophobicContact CD1-CG2 3.81Å; I48-T55 HydrophobicContact CG1-CG2 4.3Å; Q51-T55 HydrophobicContact CG-CG2 3.88Å; S52-T55 PolarHBondContact N-OG1 3.41Å; S52-T55 VanDerWaalsContact N-OG1 3.1Å; S52-T55 VanDerWaalsContact O-CB 3.29Å; S52-T55 WeakPolarHBondContact O-CB 3.18Å; S52-T55 PolarHBondContact O-N 3.28Å; S52-T55 PolarHBondContact O-OG1 3.32Å; S52-T55 PolarHBondContact OG-N 2.87Å; S52-T55 PolarHBondContact OG-OG1 2.9Å; T55-A104 HydrophobicContact CG2-CB 4.41Å; T55-V105 WeakPolarHBondContact CA-O 3.32Å; T55-D106 PolarHBondContact N-OD1 3.43Å
56Y93.3Very high91.9Very high49 Ų4960.6 Ų60.619%0.19233%0.331CS..EExtended strand (participates in β ladder)trans-128.5167.8169.465.7-99000111.4S54 E58 K77 A104 V105S54-Y56 PolarHBondContact O-N 2.86Å; Y56-E58 HydrophobicContact CD2-CG 4.24Å; Y56-E58 HydrophobicContact CE2-CG 3.85Å; Y56-K77 HydrophobicContact CD1-CG 4.41Å; Y56-K77 VanDerWaalsContact CD2-CA 3.5Å; Y56-K77 HydrophobicContact CD2-CB 3.97Å; Y56-K77 HydrophobicContact CD2-CG 3.81Å; Y56-K77 HydrophobicContact CE1-CG 4.36Å; Y56-K77 HydrophobicContact CE2-CB 4.4Å; Y56-K77 HydrophobicContact CE2-CG 3.72Å; Y56-K77 HydrophobicContact CG-CB 4.03Å; Y56-K77 HydrophobicContact CG-CG 4.12Å; Y56-A104 CarbonylContact O-C 3.59Å; Y56-V105 HydrophobicContact CD1-CB 4.48Å; Y56-V105 HydrophobicContact CD2-CB 3.93Å; Y56-V105 HydrophobicContact CD2-CG2 4.18Å; Y56-V105 HydrophobicContact CE1-CB 4.12Å; Y56-V105 HydrophobicContact CE1-CG1 4.1Å; Y56-V105 HydrophobicContact CE2-CB 3.55Å; Y56-V105 HydrophobicContact CE2-CG1 4.01Å; Y56-V105 HydrophobicContact CE2-CG2 3.73Å; Y56-V105 HydrophobicContact CG-CB 4.41Å; Y56-V105 PolarHBondContact N-O 2.76Å; Y56-V105 PolarHBondContact O-N 2.73Å
57Y94.6Very high91.7Very high0 Ų061.4 Ų61.40%035%0.346CS..EExtended strand (participates in β ladder)trans-111.5147.5177.4-60.1-81.7000111.4P29 W45 S47 I48 Q51 K77 A78 L81 V102 R103 A104P29-Y57 HydrophobicContact CG-CD1 4.17Å; P29-Y57 HydrophobicContact CG-CE1 4.03Å; W45-Y57 AromaticContact CD1-CD1 3.87Å; W45-Y57 AromaticContact CD1-CE1 3.92Å; W45-Y57 AromaticContact CE2-CD2 3.97Å; W45-Y57 AromaticContact CE2-CG 3.75Å; W45-Y57 HydrophobicContact CZ2-CD2 4.06Å; W45-Y57 AromaticContact CZ2-CG 3.93Å; W45-Y57 HydrophobicContact CZ2-CG 3.93Å; W45-Y57 AromaticContact NE1-CD1 3.35Å; W45-Y57 VanDerWaalsContact NE1-CD1 3.35Å; W45-Y57 AromaticContact NE1-CD2 3.27Å; W45-Y57 VanDerWaalsContact NE1-CD2 3.27Å; W45-Y57 AromaticContact NE1-CE1 3.67Å; W45-Y57 AromaticContact NE1-CE2 3.62Å; W45-Y57 AromaticContact NE1-CG 3.14Å; W45-Y57 AromaticContact NE1-CZ 3.83Å; S47-Y57 WeakPolarHBondContact CA-OH 3.38Å; I48-Y57 HydrophobicContact CG2-CE1 4.11Å; I48-Y57 PolarHBondContact N-OH 2.87Å; Q51-Y57 PolarHBondContact OE1-OH 3.45Å; Y57-K77 PolarHBondContact O-N 2.83Å; Y57-A78 WeakPolarHBondContact CD2-O 3.48Å; Y57-A78 PolarHBondContact N-O 3.4Å; Y57-A78 PolarHBondContact O-N 2.83Å; Y57-L81 HydrophobicContact CD2-CD2 4.37Å; Y57-L81 HydrophobicContact CE2-CD2 3.58Å; Y57-V102 HydrophobicContact CD1-CG1 4Å; Y57-V102 HydrophobicContact CG-CG1 4.33Å; Y57-R103 WeakPolarHBondContact CA-O 3.45Å; Y57-A104 HydrophobicContact CD1-CB 4.05Å; Y57-A104 HydrophobicContact CE1-CB 3.8Å
58E95.3Very high91.8Very high38 Ų3864.5 Ų64.518%0.17836%0.357CS..EExtended strand (participates in β ladder)trans-115.9130.7170.2-68.6-179.1170.800109.3Y56 V102 R103 V105 W113Y56-E58 HydrophobicContact CD2-CG 4.24Å; Y56-E58 HydrophobicContact CE2-CG 3.85Å; E58-V102 WeakPolarHBondContact O-CA 3.37Å; E58-R103 HydrophobicContact CB-CG 4.08Å; E58-R103 PolarHBondContact N-O 2.94Å; E58-R103 PolarHBondContact O-N 3.49Å; E58-R103 VanDerWaalsContact O-N 3.08Å; E58-R103 IonicContact OE2-CZ 3.59Å; E58-R103 IonicContact OE2-NE 3.6Å; E58-R103 PolarHBondContact OE2-NE 2.89Å; E58-R103 IonicContact OE2-NH2 2.7Å; E58-R103 PolarHBondContact OE2-NH2 3.16Å; E58-V105 HydrophobicContact CG-CG2 3.83Å; E58-W113 HydrophobicContact CB-CH2 4.39Å; E58-W113 WeakPolarHBondContact O-CZ3 3.42Å
59V96.9Very high91.9Very high3 Ų367 Ų672%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-111.6136.1-177-176.60000109.6L43 W45 I72 C75 C83 L85 V102L43-V59 HydrophobicContact CD2-CG1 3.54Å; W45-V59 HydrophobicContact CH2-CG2 3.78Å; W45-V59 HydrophobicContact CZ3-CG2 3.94Å; V59-I72 HydrophobicContact CB-CB 4.39Å; V59-I72 HydrophobicContact CG1-CB 4.43Å; V59-I72 HydrophobicContact CG1-CG1 4.33Å; V59-I72 PolarHBondContact O-N 2.85Å; V59-C75 HydrophobicContact CB-CB 4.11Å; V59-C75 HydrophobicContact CG2-CB 3.87Å; V59-C83 HydrophobicContact CG2-CB 4.08Å; V59-L85 HydrophobicContact CG1-CD2 4.4Å; V59-V102 HydrophobicContact CG2-CG2 4.27Å
60A96.3Very high92.2Very high0 Ų070.3 Ų70.30%037%0.372CS..EExtended strand (participates in β ladder)trans-136.9147.817300000112W69 K70 D71 A100 R101 W113A60-W69 HydrophobicContact CB-CE3 4.44Å; A60-K70 CarbonylContact C-O 3.55Å; A60-K70 VanDerWaalsContact CA-O 3.31Å; A60-K70 WeakPolarHBondContact CA-O 3.32Å; A60-D71 WeakPolarHBondContact CB-OD1 3.41Å; A60-A100 CarbonylContact O-C 3.45Å; A60-A100 WeakPolarHBondContact O-CA 3.31Å; A60-R101 HydrophobicContact CB-CG 3.82Å; A60-R101 PolarHBondContact N-O 3.49Å; A60-R101 PolarHBondContact O-N 3.21Å; A60-W113 HydrophobicContact CB-CH2 3.86Å; A60-W113 HydrophobicContact CB-CZ3 4.01Å
61L96.6Very high92.7Very high9 Ų966.5 Ų66.55%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-125.1143-171.6-17464.7000110.4F34 K70 I72 L85 T89 Y98 A100F34-L61 HydrophobicContact CZ-CD1 4.45Å; L61-K70 PolarHBondContact N-O 2.79Å; L61-K70 PolarHBondContact O-N 2.75Å; L61-I72 HydrophobicContact CB-CD1 3.8Å; L61-I72 HydrophobicContact CB-CG1 4.02Å; L61-I72 HydrophobicContact CD2-CD1 4.18Å; L61-L85 HydrophobicContact CD1-CD1 4.15Å; L61-T89 HydrophobicContact CD1-CG2 4.41Å; L61-T89 HydrophobicContact CD2-CG2 3.72Å; L61-Y98 HydrophobicContact CD1-CD1 3.65Å; L61-Y98 HydrophobicContact CD1-CG 4.11Å; L61-Y98 HydrophobicContact CD2-CD1 3.91Å; L61-Y98 HydrophobicContact CD2-CE1 3.95Å; L61-Y98 HydrophobicContact CG-CD1 3.66Å; L61-Y98 HydrophobicContact CG-CE1 4.1Å; L61-A100 HydrophobicContact CD1-CB 4.19Å
62K96.1Very high93.2Very high54 Ų5463.7 Ų63.724%0.23534%0.338CS..EExtended strand (participates in β ladder)trans-133.6123.1173.6179.4172.868.6165.80110.2T66 W69 Y98 R99K62-T66 WeakPolarHBondContact CD-O 3.14Å; K62-W69 HydrophobicContact CB-CD2 3.75Å; K62-W69 HydrophobicContact CB-CE3 3.49Å; K62-W69 VanDerWaalsContact CB-CE3 3.49Å; K62-W69 HydrophobicContact CB-CG 4.38Å; K62-W69 HydrophobicContact CB-CH2 4.19Å; K62-W69 HydrophobicContact CB-CZ2 4.44Å; K62-W69 HydrophobicContact CB-CZ3 3.72Å; K62-W69 HydrophobicContact CD-CD2 4.19Å; K62-W69 HydrophobicContact CD-CG 4.46Å; K62-W69 HydrophobicContact CD-CZ2 4.33Å; K62-Y98 WeakPolarHBondContact O-CA 3.21Å; K62-R99 PolarHBondContact N-O 3Å; K62-R99 PolarHBondContact O-N 3.44Å
63K96.3Very high93.3Very high78 Ų7869.2 Ų69.234%0.33936%0.36SS..EExtended strand (participates in β ladder)trans-70.7137.3172-169.4172.7178.2174.70109.3T66 D91 Y98K63-T66 HydrophobicContact CB-CG2 4.28Å; K63-T66 PolarHBondContact O-N 2.87Å; K63-T66 VanDerWaalsContact O-N 3.11Å; K63-T66 PolarHBondContact O-OG1 3.42Å; K63-D91 VanDerWaalsContact CE-OD2 3.3Å; K63-D91 WeakPolarHBondContact CE-OD2 3.45Å; K63-D91 IonicContact NZ-OD2 2.76Å; K63-D91 PolarHBondContact NZ-OD2 2.8Å; K63-Y98 HydrophobicContact CB-CD1 4.06Å; K63-Y98 HydrophobicContact CB-CE1 3.55Å; K63-Y98 HydrophobicContact CD-CE1 4.46Å; K63-Y98 HydrophobicContact CG-CD1 4.47Å; K63-Y98 HydrophobicContact CG-CE1 3.86Å
64Y93.6Very high93.3Very high132 Ų13266.2 Ų66.252%0.51835%0.349SS..THydrogen-bonded Turntrans-64.9143176-161.5-89.5000110.1T66 S96 G97 R119Y64-T66 VanDerWaalsContact C-N 3.3Å; Y64-S96 VanDerWaalsContact CB-O 3.29Å; Y64-S96 WeakPolarHBondContact CB-O 3.31Å; Y64-G97 VanDerWaalsContact CB-O 3.23Å; Y64-G97 WeakPolarHBondContact CB-O 3.46Å; Y64-G97 PolarHBondContact N-O 3.39Å; Y64-R119 HydrophobicContact CD2-CG 4.23Å
65G91.2Very high93.3Very high79 Ų7964 Ų6481%0.81433%0.333SS*.THydrogen-bonded Turntrans85.1-10.5-16800000114.8
66T92.7Very high92.7Very high68 Ų6866.9 Ų66.942%0.41735%0.353SS..  trans-106.3150.317077.60000111.9K62 K63 Y64K62-T66 WeakPolarHBondContact CD-O 3.14Å; K63-T66 HydrophobicContact CB-CG2 4.28Å; K63-T66 PolarHBondContact O-N 2.87Å; K63-T66 VanDerWaalsContact O-N 3.11Å; K63-T66 PolarHBondContact O-OG1 3.42Å; Y64-T66 VanDerWaalsContact C-N 3.3Å
67S91.4Very high92.1Very high105 Ų10571.3 Ų71.373%0.73437%0.373SS*.  trans-87.1-24.817352.30000113
68I94.9Very high91.4Very high116 Ų11671.9 Ų71.960%0.59538%0.378SS*.  trans-82.3127.2-171-61.9162.2000111.1
69W95.9Very high90.8Very high60 Ų6076.7 Ų76.723%0.22740%0.4CS..  trans-81.9136.5162.9-66.994.6000109.8A60 K62 R99 R101 I115A60-W69 HydrophobicContact CB-CE3 4.44Å; K62-W69 HydrophobicContact CB-CD2 3.75Å; K62-W69 HydrophobicContact CB-CE3 3.49Å; K62-W69 VanDerWaalsContact CB-CE3 3.49Å; K62-W69 HydrophobicContact CB-CG 4.38Å; K62-W69 HydrophobicContact CB-CH2 4.19Å; K62-W69 HydrophobicContact CB-CZ2 4.44Å; K62-W69 HydrophobicContact CB-CZ3 3.72Å; K62-W69 HydrophobicContact CD-CD2 4.19Å; K62-W69 HydrophobicContact CD-CG 4.46Å; K62-W69 HydrophobicContact CD-CZ2 4.33Å; W69-R99 HydrophobicContact CH2-CB 4.14Å; W69-R99 WeakPolarHBondContact CZ3-O 3.41Å; W69-R101 HydrophobicContact CD2-CG 4.35Å; W69-R101 HydrophobicContact CE3-CG 3.71Å; W69-R101 HydrophobicContact CH2-CB 4.11Å; W69-R101 HydrophobicContact CH2-CG 4.04Å; W69-R101 HydrophobicContact CZ3-CB 3.97Å; W69-R101 HydrophobicContact CZ3-CG 3.55Å; W69-I115 HydrophobicContact CH2-CG2 4.02Å; W69-I115 HydrophobicContact CZ2-CD1 4.33Å
70K94.9Very high90.5Very high155 Ų15580.9 Ų80.967%0.67443%0.426SS*.EExtended strand (participates in β ladder)trans-109.9126.9171.2-64.4-177.2177.3-175.70108.8A60 L61A60-K70 CarbonylContact C-O 3.55Å; A60-K70 VanDerWaalsContact CA-O 3.31Å; A60-K70 WeakPolarHBondContact CA-O 3.32Å; L61-K70 PolarHBondContact N-O 2.79Å; L61-K70 PolarHBondContact O-N 2.75Å
71D94.4Very high90.4Very high88 Ų8884 Ų8447%0.47144%0.443SS..EExtended strand (participates in β ladder)trans-78.3137.5176.3-55.9-39.2000109.7A60 H73 R101A60-D71 WeakPolarHBondContact CB-OD1 3.41Å; D71-H73 PolarHBondContact O-N 2.95Å; D71-R101 IonicContact OD1-NH2 2.66Å
72I94.6Very high90.4Very high15 Ų1585.2 Ų85.28%0.07745%0.452CS..  trans-93.693.9-172.9-59-63.2000109.1V59 L61 I74 C75 S76 L85V59-I72 HydrophobicContact CB-CB 4.39Å; V59-I72 HydrophobicContact CG1-CB 4.43Å; V59-I72 HydrophobicContact CG1-CG1 4.33Å; V59-I72 PolarHBondContact O-N 2.85Å; L61-I72 HydrophobicContact CB-CD1 3.8Å; L61-I72 HydrophobicContact CB-CG1 4.02Å; L61-I72 HydrophobicContact CD2-CD1 4.18Å; I72-I74 HydrophobicContact CG2-CB 4.34Å; I72-I74 PolarHBondContact O-N 3.44Å; I72-C75 HydrophobicContact CG2-CB 4.19Å; I72-C75 CarbonylContact O-C 3.45Å; I72-C75 PolarHBondContact O-N 2.98Å; I72-S76 PolarHBondContact O-N 3.04Å; I72-L85 HydrophobicContact CB-CD2 4.22Å; I72-L85 HydrophobicContact CD1-CD2 4.2Å; I72-L85 HydrophobicContact CG1-CD2 3.76Å; I72-L85 HydrophobicContact CG2-CD2 3.72Å
73H87.1Confident90.3Very high153 Ų15382.9 Ų82.971%0.70844%0.443SS*.G310 helixtrans-57.8-33.2-175.7-57.9-53.6000113.9D71 C75 S76D71-H73 PolarHBondContact O-N 2.95Å; H73-C75 PolarHBondContact O-N 3.38Å; H73-S76 WeakPolarHBondContact O-CB 3.49Å; H73-S76 PolarHBondContact O-N 2.98Å; H73-S76 PolarHBondContact O-OG 3.34Å
74I85.1Confident90.3Very high129 Ų12983.1 Ų83.166%0.66245%0.447SS*.G310 helixtrans-57.6-32.4175.4-58.2174.5000111.7I72I72-I74 HydrophobicContact CG2-CB 4.34Å; I72-I74 PolarHBondContact O-N 3.44Å
75C86.4Confident90.4Very high10 Ų1076.8 Ų76.87%0.06842%0.423CS..G310 helixtrans-112.519.1179-56.70000112.3V59 I72 H73 A78 C83V59-C75 HydrophobicContact CB-CB 4.11Å; V59-C75 HydrophobicContact CG2-CB 3.87Å; I72-C75 HydrophobicContact CG2-CB 4.19Å; I72-C75 CarbonylContact O-C 3.45Å; I72-C75 PolarHBondContact O-N 2.98Å; H73-C75 PolarHBondContact O-N 3.38Å; C75-A78 HydrophobicContact CB-CB 4.48Å; C75-A78 PolarHBondContact O-N 2.75Å; C75-C83 HydrophobicContact CB-CB 3.7Å; C75-C83 WeakPolarHBondContact CB-SG 3.32Å; C75-C83 VanDerWaalsContact SG-CA 3.6Å; C75-C83 WeakPolarHBondContact SG-CB 3.04Å; C75-C83 CovalentContact SG-SG 2.02Å; C75-C83 PolarHBondContact SG-SG 2.75Å
76S78.1Confident90.6Very high63 Ų6373.3 Ų73.344%0.44139%0.385SS..THydrogen-bonded Turntrans-72.2127.9168.267.70000108.5I72 H73I72-S76 PolarHBondContact O-N 3.04Å; H73-S76 WeakPolarHBondContact O-CB 3.49Å; H73-S76 PolarHBondContact O-N 2.98Å; H73-S76 PolarHBondContact O-OG 3.34Å
77K81.9Confident90.6Very high142 Ų14273.9 Ų73.962%0.61739%0.389SS*.THydrogen-bonded Turntrans65.133.6-171.4-48-176.2178.71790114.8Y56 Y57 Q79Y56-K77 HydrophobicContact CD1-CG 4.41Å; Y56-K77 VanDerWaalsContact CD2-CA 3.5Å; Y56-K77 HydrophobicContact CD2-CB 3.97Å; Y56-K77 HydrophobicContact CD2-CG 3.81Å; Y56-K77 HydrophobicContact CE1-CG 4.36Å; Y56-K77 HydrophobicContact CE2-CB 4.4Å; Y56-K77 HydrophobicContact CE2-CG 3.72Å; Y56-K77 HydrophobicContact CG-CB 4.03Å; Y56-K77 HydrophobicContact CG-CG 4.12Å; Y57-K77 PolarHBondContact O-N 2.83Å; K77-Q79 PolarHBondContact O-N 2.9Å
78A80.1Confident90.8Very high12 Ų1270.9 Ų70.910%0.09937%0.368CS..BIsolated β-bridgetrans-61.5119.5170.900000110.5W45 Y57 C75W45-A78 HydrophobicContact CH2-CB 4.24Å; W45-A78 HydrophobicContact CZ2-CB 4.19Å; Y57-A78 WeakPolarHBondContact CD2-O 3.48Å; Y57-A78 PolarHBondContact N-O 3.4Å; Y57-A78 PolarHBondContact O-N 2.83Å; C75-A78 HydrophobicContact CB-CB 4.48Å; C75-A78 PolarHBondContact O-N 2.75Å
79Q83.1Confident90.8Very high139 Ų13965.3 Ų65.365%0.6534%0.339SS*.  trans-87.5-24.7168.7-70.4178.6-38.100111.7K77K77-Q79 PolarHBondContact O-N 2.9Å
80T89.6Confident90.8Very high91 Ų9164.9 Ų64.956%0.55834%0.341SS*.SBendtrans-71.2143171.847.50000111.3W45 S82W45-T80 WeakPolarHBondContact CZ2-O 3.5Å; T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 PolarHBondContact OG1-O 2.91Å; T80-S82 VanDerWaalsContact OG1-O 3.11Å
81L94.3Very high90.8Very high66 Ų6660 Ų6035%0.34632%0.323SS..SBendtrans-76.728.4176.2-57.7178.8000113.5W45 Y57W45-L81 PolarHBondContact N-O 3.23Å; Y57-L81 HydrophobicContact CD2-CD2 4.37Å; Y57-L81 HydrophobicContact CE2-CD2 3.58Å
82S95.8Very high90.9Very high35 Ų3555.9 Ų55.925%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-157.5152.2-179.556.60000112L43 W45 T80L43-S82 CarbonylContact O-C 3.56Å; L43-S82 WeakPolarHBondContact O-CA 3.34Å; L43-S82 WeakPolarHBondContact O-CB 3.34Å; W45-S82 VanDerWaalsContact CH2-C 3.47Å; T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 PolarHBondContact OG1-O 2.91Å; T80-S82 VanDerWaalsContact OG1-O 3.11Å
83C95.8Very high90.9Very high5 Ų556.2 Ų56.23%0.03430%0.301CS..EExtended strand (participates in β ladder)trans-139.5132.8179.8167.90000109.5L43 W45 V59 C75 L85L43-C83 HydrophobicContact CB-CB 4.4Å; L43-C83 PolarHBondContact N-O 2.84Å; L43-C83 PolarHBondContact O-N 2.82Å; W45-C83 HydrophobicContact CH2-CB 3.81Å; W45-C83 HydrophobicContact CZ3-CB 3.7Å; V59-C83 HydrophobicContact CG2-CB 4.08Å; C75-C83 HydrophobicContact CB-CB 3.7Å; C75-C83 WeakPolarHBondContact CB-SG 3.32Å; C75-C83 VanDerWaalsContact SG-CA 3.6Å; C75-C83 WeakPolarHBondContact SG-CB 3.04Å; C75-C83 CovalentContact SG-SG 2.02Å; C75-C83 PolarHBondContact SG-SG 2.75Å; C83-L85 WeakPolarHBondContact SG-CD2 3.35Å
84D95.2Very high91.2Very high82 Ų8255.4 Ų55.444%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-81.4120.7170.6-168.7-20.5000109.8T86D84-T86 WeakPolarHBondContact OD1-CB 3.35Å; D84-T86 PolarHBondContact OD1-N 2.82Å; D84-T86 PolarHBondContact OD1-OG1 2.86Å
85L95.7Very high91.7Very high0 Ų050.6 Ų50.60%028%0.275CS..  trans-109.27.1177.7-66.2-173.4000113.3F34 H41 L43 V59 L61 I72 C83 T87 S88 T89 A100F34-L85 HydrophobicContact CE1-CB 4.41Å; F34-L85 HydrophobicContact CE1-CD1 3.78Å; F34-L85 HydrophobicContact CZ-CD1 3.85Å; H41-L85 PolarHBondContact O-N 3.1Å; L43-L85 HydrophobicContact CB-CD1 3.95Å; L43-L85 HydrophobicContact CB-CG 4.27Å; L43-L85 HydrophobicContact CD2-CD1 4.22Å; L43-L85 HydrophobicContact CG-CD1 4.5Å; V59-L85 HydrophobicContact CG1-CD2 4.4Å; L61-L85 HydrophobicContact CD1-CD1 4.15Å; I72-L85 HydrophobicContact CB-CD2 4.22Å; I72-L85 HydrophobicContact CD1-CD2 4.2Å; I72-L85 HydrophobicContact CG1-CD2 3.76Å; I72-L85 HydrophobicContact CG2-CD2 3.72Å; C83-L85 WeakPolarHBondContact SG-CD2 3.35Å; L85-T87 PolarHBondContact O-N 3.2Å; L85-S88 CarbonylContact O-C 3.54Å; L85-S88 WeakPolarHBondContact O-CA 3.43Å; L85-S88 WeakPolarHBondContact O-CB 3.5Å; L85-S88 PolarHBondContact O-N 2.85Å; L85-T89 HydrophobicContact CB-CG2 4.42Å; L85-T89 PolarHBondContact O-N 2.9Å; L85-T89 VanDerWaalsContact O-N 3.09Å; L85-T89 PolarHBondContact O-OG1 2.78Å; L85-A100 HydrophobicContact CD1-CB 4.38Å
86T95.2Very high92Very high5 Ų553.5 Ų53.53%0.03130%0.295CS..G310 helixtrans-54.7-50.9-174-50.30000111.8F39 H41 D84 S88 T89 L90 L152F39-T86 WeakPolarHBondContact O-CG2 3.41Å; H41-T86 PolarHBondContact N-OG1 2.99Å; D84-T86 WeakPolarHBondContact OD1-CB 3.35Å; D84-T86 PolarHBondContact OD1-N 2.82Å; D84-T86 PolarHBondContact OD1-OG1 2.86Å; T86-S88 PolarHBondContact O-N 2.7Å; T86-S88 VanDerWaalsContact O-N 3.13Å; T86-T89 CarbonylContact O-C 3.59Å; T86-T89 PolarHBondContact O-N 2.82Å; T86-T89 PolarHBondContact O-OG1 3.32Å; T86-L90 HydrophobicContact CG2-CD2 4.15Å; T86-L90 WeakPolarHBondContact O-CD2 3.45Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 3.45Å; T86-L90 VanDerWaalsContact O-N 3.11Å; T86-L152 HydrophobicContact CG2-CD2 4.03Å
87T94Very high92.9Very high81 Ų8150.5 Ų50.550%0.49727%0.274SS..G310 helixtrans-58-26.8176.454.90000113.7L85 L152L85-T87 PolarHBondContact O-N 3.2Å; T87-L152 HydrophobicContact CG2-CD2 3.73Å
88S94.6Very high93.6Very high41 Ų4144.5 Ų44.529%0.28725%0.248SC..G310 helixtrans-95-0.4-179.7-58.80000113.5L85 T86L85-S88 CarbonylContact O-C 3.54Å; L85-S88 WeakPolarHBondContact O-CA 3.43Å; L85-S88 WeakPolarHBondContact O-CB 3.5Å; L85-S88 PolarHBondContact O-N 2.85Å; T86-S88 PolarHBondContact O-N 2.7Å; T86-S88 VanDerWaalsContact O-N 3.13Å
89T95.6Very high94.5Very high0 Ų047.9 Ų47.90%026%0.258CS..  trans-142.323.9-173.454.90000112.9H41 L61 L85 T86 D91 L92 Y98H41-T89 PolarHBondContact ND1-OG1 3.02Å; L61-T89 HydrophobicContact CD1-CG2 4.41Å; L61-T89 HydrophobicContact CD2-CG2 3.72Å; L85-T89 HydrophobicContact CB-CG2 4.42Å; L85-T89 PolarHBondContact O-N 2.9Å; L85-T89 VanDerWaalsContact O-N 3.09Å; L85-T89 PolarHBondContact O-OG1 2.78Å; T86-T89 CarbonylContact O-C 3.59Å; T86-T89 PolarHBondContact O-N 2.82Å; T86-T89 PolarHBondContact O-OG1 3.32Å; T89-D91 PolarHBondContact O-N 3.26Å; T89-L92 WeakPolarHBondContact O-CB 3.43Å; T89-L92 PolarHBondContact O-N 2.89Å; T89-Y98 HydrophobicContact CG2-CD1 4.31Å; T89-Y98 HydrophobicContact CG2-CD2 3.92Å; T89-Y98 HydrophobicContact CG2-CE1 4.34Å; T89-Y98 HydrophobicContact CG2-CE2 3.97Å; T89-Y98 HydrophobicContact CG2-CG 4.11Å
90L95.1Very high95.1Very high51 Ų5141.3 Ų41.327%0.26723%0.227SC..G310 helixtrans-56.4-34.7177.5-64.1178000112.3F39 T86 L92 L152 P154F39-L90 HydrophobicContact CD1-CD2 3.84Å; F39-L90 HydrophobicContact CE1-CB 4.39Å; F39-L90 HydrophobicContact CE1-CD2 4.08Å; F39-L90 WeakPolarHBondContact CE1-O 3.44Å; T86-L90 HydrophobicContact CG2-CD2 4.15Å; T86-L90 WeakPolarHBondContact O-CD2 3.45Å; T86-L90 WeakPolarHBondContact O-CG 3.33Å; T86-L90 PolarHBondContact O-N 3.45Å; T86-L90 VanDerWaalsContact O-N 3.11Å; L90-L92 PolarHBondContact O-N 3.1Å; L90-L152 HydrophobicContact CD2-CD2 3.9Å; L90-L152 HydrophobicContact CD2-CG 4.03Å; L90-P154 HydrophobicContact CB-CG 4.24Å
91D94.9Very high95.5Very high53 Ų5338.9 Ų38.928%0.28321%0.208SC..G310 helixtrans-79.913.5177.571.9-24.8000114.2K63 T89 Y93 H94 S95 Y98K63-D91 VanDerWaalsContact CE-OD2 3.3Å; K63-D91 WeakPolarHBondContact CE-OD2 3.45Å; K63-D91 IonicContact NZ-OD2 2.76Å; K63-D91 PolarHBondContact NZ-OD2 2.8Å; T89-D91 PolarHBondContact O-N 3.26Å; D91-Y93 PolarHBondContact O-N 3.08Å; D91-H94 PolarHBondContact O-N 2.82Å; D91-S95 WeakPolarHBondContact O-CB 3.47Å; D91-S95 PolarHBondContact O-N 2.87Å; D91-S95 VanDerWaalsContact O-N 3.12Å; D91-S95 PolarHBondContact O-OG 3.36Å; D91-Y98 WeakPolarHBondContact OD1-CE2 3.3Å; D91-Y98 PolarHBondContact OD1-OH 2.71Å; D91-Y98 PolarHBondContact OD2-OH 3.38Å
92L96.4Very high95.6Very high0 Ų035.7 Ų35.70%019%0.191CC..G310 helixtrans-51.8-42.5177.3179.168.9000111.9T89 L90 H94 S95 Y98 F120 V125T89-L92 WeakPolarHBondContact O-CB 3.43Å; T89-L92 PolarHBondContact O-N 2.89Å; L90-L92 PolarHBondContact O-N 3.1Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.49Å; L92-S95 PolarHBondContact O-N 2.87Å; L92-S95 PolarHBondContact O-OG 3.33Å; L92-Y98 HydrophobicContact CD1-CD2 4.19Å; L92-F120 HydrophobicContact CD1-CD1 3.8Å; L92-F120 HydrophobicContact CD1-CE1 3.75Å; L92-F120 HydrophobicContact CD1-CG 4.31Å; L92-F120 HydrophobicContact CD1-CZ 4.2Å; L92-F120 HydrophobicContact CD2-CD1 4.46Å; L92-F120 HydrophobicContact CD2-CE1 3.64Å; L92-F120 HydrophobicContact CD2-CE2 4.05Å; L92-F120 HydrophobicContact CD2-CZ 3.38Å; L92-F120 HydrophobicContact CG-CE1 4.29Å; L92-F120 HydrophobicContact CG-CZ 4.43Å; L92-V125 HydrophobicContact CD2-CG2 3.78Å
93Y95Very high95.6Very high23 Ų2336.8 Ų36.89%0.0919%0.19CC..G310 helixtrans-73.4-21.7-173.1-56.5-78000113.9F38 F39 H41 D91 V122 V125 I162F38-Y93 WeakPolarHBondContact CA-OH 3.4Å; F38-Y93 HydrophobicContact CD2-CE1 4.19Å; F38-Y93 AromaticContact CD2-CZ 3.9Å; F38-Y93 HydrophobicContact CE2-CE1 4.19Å; F38-Y93 HydrophobicContact CE2-CE2 4.47Å; F39-Y93 HydrophobicContact CD1-CE2 4.06Å; F39-Y93 HydrophobicContact CD2-CD2 4.33Å; F39-Y93 AromaticContact CD2-CE2 3.61Å; F39-Y93 HydrophobicContact CD2-CE2 3.61Å; F39-Y93 AromaticContact CE1-CD2 3.94Å; F39-Y93 HydrophobicContact CE1-CD2 3.94Å; F39-Y93 AromaticContact CE1-CE2 3.77Å; F39-Y93 HydrophobicContact CE1-CE2 3.77Å; F39-Y93 AromaticContact CE2-CD2 3.55Å; F39-Y93 HydrophobicContact CE2-CD2 3.55Å; F39-Y93 AromaticContact CE2-CE2 3.29Å; F39-Y93 HydrophobicContact CE2-CE2 3.29Å; F39-Y93 AromaticContact CG-CE2 3.99Å; F39-Y93 HydrophobicContact CG-CE2 3.99Å; F39-Y93 AromaticContact CZ-CD2 3.31Å; F39-Y93 HydrophobicContact CZ-CD2 3.31Å; F39-Y93 AromaticContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CE2 3.37Å; F39-Y93 HydrophobicContact CZ-CG 4.49Å; F39-Y93 PolarHBondContact N-OH 2.79Å; F39-Y93 VanDerWaalsContact N-OH 3.09Å; H41-Y93 AromaticContact NE2-CE2 3.99Å; H41-Y93 AromaticContact NE2-CZ 3.9Å; H41-Y93 PolarHBondContact NE2-OH 3.34Å; D91-Y93 PolarHBondContact O-N 3.08Å; Y93-V122 HydrophobicContact CD1-CB 4.34Å; Y93-V122 HydrophobicContact CD1-CG1 3.87Å; Y93-V122 HydrophobicContact CD1-CG2 3.68Å; Y93-V122 HydrophobicContact CE1-CG1 4.11Å; Y93-V122 HydrophobicContact CE1-CG2 4.39Å; Y93-V122 HydrophobicContact CG-CG2 4.36Å; Y93-V125 HydrophobicContact CE1-CG2 4.35Å; Y93-I162 HydrophobicContact CD1-CG2 3.46Å; Y93-I162 VanDerWaalsContact CD1-CG2 3.46Å; Y93-I162 HydrophobicContact CE1-CG2 4.11Å; Y93-I162 HydrophobicContact CG-CD1 4.27Å; Y93-I162 HydrophobicContact CG-CG1 4.34Å; Y93-I162 HydrophobicContact CG-CG2 3.97Å
94H94.3Very high95.5Very high136 Ų13636.5 Ų36.563%0.6319%0.188SC*.G310 helixtrans-112.312179.3-61.4-66.1000113.5D91 L92 D157D91-H94 PolarHBondContact O-N 2.82Å; L92-H94 VanDerWaalsContact C-N 3.31Å; L92-H94 PolarHBondContact O-N 3.49Å; H94-D157 IonicContact CD2-OD1 3.98Å; H94-D157 IonicContact CD2-OD2 3.6Å; H94-D157 IonicContact CE1-OD1 2.61Å; H94-D157 IonicContact NE2-OD1 2.77Å; H94-D157 PolarHBondContact NE2-OD1 2.9Å; H94-D157 IonicContact NE2-OD2 3.71Å
95S93.8Very high95.4Very high28 Ų2832.6 Ų32.620%0.19617%0.168CC..SBendtrans-126.7164.3-175.868.40000113.3D91 L92 G97D91-S95 WeakPolarHBondContact O-CB 3.47Å; D91-S95 PolarHBondContact O-N 2.87Å; D91-S95 VanDerWaalsContact O-N 3.12Å; D91-S95 PolarHBondContact O-OG 3.36Å; L92-S95 PolarHBondContact O-N 2.87Å; L92-S95 PolarHBondContact O-OG 3.33Å; S95-G97 PolarHBondContact O-N 3.43Å
96S94.8Very high95.2Very high71 Ų7133.6 Ų33.650%0.49717%0.173SC..SBendtrans-71.514.7175.7-48.30000114.1Y64 R119Y64-S96 VanDerWaalsContact CB-O 3.29Å; Y64-S96 WeakPolarHBondContact CB-O 3.31Å; S96-R119 VanDerWaalsContact O-CD 3.31Å; S96-R119 WeakPolarHBondContact O-CD 3.27Å; S96-R119 PolarHBondContact O-NH1 2.04Å
97G96.1Very high94.8Very high0 Ų038.8 Ų38.80%020%0.2CC..  trans83.8-169.9177.900000115.4Y64 S95 F120Y64-G97 VanDerWaalsContact CB-O 3.23Å; Y64-G97 WeakPolarHBondContact CB-O 3.46Å; Y64-G97 PolarHBondContact N-O 3.39Å; S95-G97 PolarHBondContact O-N 3.43Å; G97-F120 CarbonylContact C-O 3.53Å; G97-F120 WeakPolarHBondContact CA-O 3.42Å
98Y97.5Very high94.3Very high16 Ų1640 Ų406%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-136162.6-169.5-76.7-87.1000112.6L61 K62 K63 T89 D91 L92 R119 F120L61-Y98 HydrophobicContact CD1-CD1 3.65Å; L61-Y98 HydrophobicContact CD1-CG 4.11Å; L61-Y98 HydrophobicContact CD2-CD1 3.91Å; L61-Y98 HydrophobicContact CD2-CE1 3.95Å; L61-Y98 HydrophobicContact CG-CD1 3.66Å; L61-Y98 HydrophobicContact CG-CE1 4.1Å; K62-Y98 WeakPolarHBondContact O-CA 3.21Å; K63-Y98 HydrophobicContact CB-CD1 4.06Å; K63-Y98 HydrophobicContact CB-CE1 3.55Å; K63-Y98 HydrophobicContact CD-CE1 4.46Å; K63-Y98 HydrophobicContact CG-CD1 4.47Å; K63-Y98 HydrophobicContact CG-CE1 3.86Å; T89-Y98 HydrophobicContact CG2-CD1 4.31Å; T89-Y98 HydrophobicContact CG2-CD2 3.92Å; T89-Y98 HydrophobicContact CG2-CE1 4.34Å; T89-Y98 HydrophobicContact CG2-CE2 3.97Å; T89-Y98 HydrophobicContact CG2-CG 4.11Å; D91-Y98 WeakPolarHBondContact OD1-CE2 3.3Å; D91-Y98 PolarHBondContact OD1-OH 2.71Å; D91-Y98 PolarHBondContact OD2-OH 3.38Å; L92-Y98 HydrophobicContact CD1-CD2 4.19Å; Y98-R119 CarbonylContact O-C 3.36Å; Y98-R119 WeakPolarHBondContact O-CA 3.46Å; Y98-R119 WeakPolarHBondContact O-CG 3.41Å; Y98-F120 PolarHBondContact N-O 2.95Å; Y98-F120 PolarHBondContact O-N 3.23Å
99R97.2Very high94.1Very high83 Ų8342.7 Ų42.731%0.31322%0.22SC..EExtended strand (participates in β ladder)trans-127.6139.8155.2-77.5-173.2177.6-100.8-1.1108.9K62 W69 T116 E117K62-R99 PolarHBondContact N-O 3Å; K62-R99 PolarHBondContact O-N 3.44Å; W69-R99 HydrophobicContact CH2-CB 4.14Å; W69-R99 WeakPolarHBondContact CZ3-O 3.41Å; R99-T116 PolarHBondContact NH1-O 3.43Å; R99-E117 PolarHBondContact NH1-O 2.75Å; R99-E117 PolarHBondContact NH2-O 3.48Å; R99-E117 VanDerWaalsContact NH2-O 3.11Å
100A97.2Very high93.9Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-110160.6172.100000110.3F34 L43 A60 L61 L85 I115 T116F34-A100 HydrophobicContact CE2-CB 3.79Å; F34-A100 HydrophobicContact CZ-CB 3.81Å; L43-A100 HydrophobicContact CD1-CB 3.53Å; L43-A100 HydrophobicContact CD2-CB 3.82Å; L43-A100 HydrophobicContact CG-CB 4.35Å; A60-A100 CarbonylContact O-C 3.45Å; A60-A100 WeakPolarHBondContact O-CA 3.31Å; L61-A100 HydrophobicContact CD1-CB 4.19Å; L85-A100 HydrophobicContact CD1-CB 4.38Å; A100-I115 WeakPolarHBondContact O-CG2 3.48Å; A100-T116 HydrophobicContact CB-CG2 3.98Å; A100-T116 PolarHBondContact N-OG1 2.94Å; A100-T116 PolarHBondContact O-N 2.82Å
101R96.7Very high93.9Very high40 Ų4045.9 Ų45.915%0.15123%0.231CC..EExtended strand (participates in β ladder)trans-143.2149.9172.964.5174.3-164.8-169.6-4.9110.5A60 W69 D71 W113 T114 I115A60-R101 HydrophobicContact CB-CG 3.82Å; A60-R101 PolarHBondContact N-O 3.49Å; A60-R101 PolarHBondContact O-N 3.21Å; W69-R101 HydrophobicContact CD2-CG 4.35Å; W69-R101 HydrophobicContact CE3-CG 3.71Å; W69-R101 HydrophobicContact CH2-CB 4.11Å; W69-R101 HydrophobicContact CH2-CG 4.04Å; W69-R101 HydrophobicContact CZ3-CB 3.97Å; W69-R101 HydrophobicContact CZ3-CG 3.55Å; D71-R101 IonicContact OD1-NH2 2.66Å; R101-W113 HydrophobicContact CB-CE3 3.89Å; R101-W113 VanDerWaalsContact CD-CD2 3.49Å; R101-W113 VanDerWaalsContact CD-CE3 3.46Å; R101-W113 HydrophobicContact CG-CD2 4Å; R101-W113 HydrophobicContact CG-CE3 3.4Å; R101-W113 HydrophobicContact CG-CZ3 3.71Å; R101-W113 VanDerWaalsContact CZ-CE2 3.48Å; R101-T114 CarbonylContact C-O 3.47Å; R101-T114 WeakPolarHBondContact CA-O 3.47Å; R101-T114 WeakPolarHBondContact CB-O 3.43Å; R101-I115 HydrophobicContact CB-CB 4.4Å; R101-I115 HydrophobicContact CB-CG1 3.96Å
102V97.1Very high94Very high0 Ų048 Ų480%024%0.242CC..EExtended strand (participates in β ladder)trans-132.3141.2178.2-172.80000109.2P29 V32 L43 W45 Y57 E58 V59 T114P29-V102 HydrophobicContact CG-CB 4.4Å; P29-V102 HydrophobicContact CG-CG1 4.13Å; V32-V102 HydrophobicContact CG1-CG2 3.76Å; V32-V102 HydrophobicContact CG2-CB 3.9Å; V32-V102 HydrophobicContact CG2-CG2 3.94Å; L43-V102 HydrophobicContact CD2-CG2 3.66Å; W45-V102 HydrophobicContact CD2-CB 4.48Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CD2-CG2 4.04Å; W45-V102 HydrophobicContact CE3-CG1 4.38Å; W45-V102 HydrophobicContact CE3-CG2 3.77Å; W45-V102 HydrophobicContact CG-CG1 4.07Å; W45-V102 HydrophobicContact CG-CG2 4.39Å; W45-V102 HydrophobicContact CZ2-CG1 4.47Å; W45-V102 HydrophobicContact CZ3-CG2 4.3Å; Y57-V102 HydrophobicContact CD1-CG1 4Å; Y57-V102 HydrophobicContact CG-CG1 4.33Å; E58-V102 WeakPolarHBondContact O-CA 3.37Å; V59-V102 HydrophobicContact CG2-CG2 4.27Å; V102-T114 PolarHBondContact N-O 2.97Å; V102-T114 PolarHBondContact O-N 2.93Å
103R95.2Very high94Very high57 Ų5751.1 Ų51.122%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-127.7150.3164.964.7177.2176.1-176.80.4110.1Y57 E58 V105 Y110 S111 W113Y57-R103 WeakPolarHBondContact CA-O 3.45Å; E58-R103 HydrophobicContact CB-CG 4.08Å; E58-R103 PolarHBondContact N-O 2.94Å; E58-R103 PolarHBondContact O-N 3.49Å; E58-R103 VanDerWaalsContact O-N 3.08Å; E58-R103 IonicContact OE2-CZ 3.59Å; E58-R103 IonicContact OE2-NE 3.6Å; E58-R103 PolarHBondContact OE2-NE 2.89Å; E58-R103 IonicContact OE2-NH2 2.7Å; E58-R103 PolarHBondContact OE2-NH2 3.16Å; R103-V105 HydrophobicContact CG-CG2 4.48Å; R103-Y110 VanDerWaalsContact CZ-CD1 3.45Å; R103-S111 WeakPolarHBondContact CA-OG 3.37Å; R103-S111 WeakPolarHBondContact CB-OG 3.47Å; R103-W113 HydrophobicContact CB-CD2 4.02Å; R103-W113 HydrophobicContact CB-CE3 3.86Å; R103-W113 HydrophobicContact CB-CG 4.48Å; R103-W113 HydrophobicContact CB-CZ3 4.29Å; R103-W113 HydrophobicContact CG-CD2 4.01Å; R103-W113 HydrophobicContact CG-CE3 3.85Å; R103-W113 HydrophobicContact CG-CH2 3.96Å; R103-W113 HydrophobicContact CG-CZ2 4.09Å; R103-W113 HydrophobicContact CG-CZ3 3.83Å
104A94.9Very high94.1Very high0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-81.5151.416600000109.8L26 I48 T55 Y56 Y57 S111L26-A104 HydrophobicContact CD2-CB 3.9Å; L26-A104 HydrophobicContact CG-CB 4.43Å; I48-A104 HydrophobicContact CD1-CB 4.1Å; I48-A104 HydrophobicContact CG2-CB 3.73Å; T55-A104 HydrophobicContact CG2-CB 4.41Å; Y56-A104 CarbonylContact O-C 3.59Å; Y57-A104 HydrophobicContact CD1-CB 4.05Å; Y57-A104 HydrophobicContact CE1-CB 3.8Å; A104-S111 PolarHBondContact N-OG 2.92Å; A104-S111 PolarHBondContact O-N 2.82Å
105V92.9Very high94.3Very high0 Ų048.3 Ų48.30%025%0.245CC..EExtended strand (participates in β ladder)trans-137127.8171.6-168.10000107.7T55 Y56 E58 R103 Q109 Y110T55-V105 WeakPolarHBondContact CA-O 3.32Å; Y56-V105 HydrophobicContact CD1-CB 4.48Å; Y56-V105 HydrophobicContact CD2-CB 3.93Å; Y56-V105 HydrophobicContact CD2-CG2 4.18Å; Y56-V105 HydrophobicContact CE1-CB 4.12Å; Y56-V105 HydrophobicContact CE1-CG1 4.1Å; Y56-V105 HydrophobicContact CE2-CB 3.55Å; Y56-V105 HydrophobicContact CE2-CG1 4.01Å; Y56-V105 HydrophobicContact CE2-CG2 3.73Å; Y56-V105 HydrophobicContact CG-CB 4.41Å; Y56-V105 PolarHBondContact N-O 2.76Å; Y56-V105 PolarHBondContact O-N 2.73Å; E58-V105 HydrophobicContact CG-CG2 3.83Å; R103-V105 HydrophobicContact CG-CG2 4.48Å; V105-Q109 VanDerWaalsContact CA-O 3.31Å; V105-Q109 WeakPolarHBondContact CA-O 3.42Å; V105-Q109 WeakPolarHBondContact CG1-O 3.18Å; V105-Y110 HydrophobicContact CB-CD1 4.26Å; V105-Y110 HydrophobicContact CB-CE1 4.4Å; V105-Y110 HydrophobicContact CG1-CD1 3.8Å; V105-Y110 HydrophobicContact CG1-CE1 3.65Å; V105-Y110 HydrophobicContact CG1-CG 4.31Å; V105-Y110 HydrophobicContact CG2-CD1 3.53Å; V105-Y110 HydrophobicContact CG2-CE1 3.79Å; V105-Y110 HydrophobicContact CG2-CG 4.48Å
106D91.6Very high94.4Very high21 Ų2147.1 Ų47.111%0.11224%0.237CC..EExtended strand (participates in β ladder)trans-143.3134.6172.7-172.632.9000110.6L26 S52 S54 T55 S108 Q109L26-D106 HydrophobicContact CD1-CB 4.02Å; L26-D106 HydrophobicContact CD2-CB 4.18Å; S52-D106 PolarHBondContact OG-OD1 3.11Å; S52-D106 VanDerWaalsContact OG-OD1 3.12Å; S52-D106 PolarHBondContact OG-OD2 2.81Å; S54-D106 VanDerWaalsContact C-OD1 3.23Å; S54-D106 VanDerWaalsContact CB-OD1 3.25Å; S54-D106 WeakPolarHBondContact CB-OD1 3.49Å; S54-D106 PolarHBondContact OG-OD1 2.95Å; T55-D106 PolarHBondContact N-OD1 3.43Å; D106-S108 PolarHBondContact O-N 2.83Å; D106-Q109 PolarHBondContact N-O 2.82Å; D106-Q109 WeakPolarHBondContact O-CA 3.33Å; D106-Q109 WeakPolarHBondContact O-CB 3.45Å; D106-Q109 PolarHBondContact O-N 2.82Å
107N85.6Confident94.4Very high114 Ų11451.5 Ų51.561%0.6125%0.249SC*.THydrogen-bonded Turntrans46.741176.9-70.9-66.9000114.2S54 Q109S54-N107 PolarHBondContact OG-ND2 2.93Å; S54-N107 VanDerWaalsContact OG-ND2 3.12Å; N107-Q109 PolarHBondContact O-N 3.06Å
108S83.5Confident94.3Very high105 Ų10555 Ų5573%0.73427%0.271SS*.THydrogen-bonded Turntrans66.36.8-175.2-48.30000116.7D106 Y110D106-S108 PolarHBondContact O-N 2.83Å; S108-Y110 WeakPolarHBondContact O-CD2 3.43Å; S108-Y110 WeakPolarHBondContact O-CE2 3.06Å
109Q90.4Very high94.2Very high99 Ų9959 Ų5946%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-86.5146.2163.9-58.6-179.159.600109.6L26 V105 D106 N107L26-Q109 HydrophobicContact CB-CB 4.34Å; V105-Q109 VanDerWaalsContact CA-O 3.31Å; V105-Q109 WeakPolarHBondContact CA-O 3.42Å; V105-Q109 WeakPolarHBondContact CG1-O 3.18Å; D106-Q109 PolarHBondContact N-O 2.82Å; D106-Q109 WeakPolarHBondContact O-CA 3.33Å; D106-Q109 WeakPolarHBondContact O-CB 3.45Å; D106-Q109 PolarHBondContact O-N 2.82Å; N107-Q109 PolarHBondContact O-N 3.06Å
110Y92.9Very high94.2Very high111 Ų11155.1 Ų55.144%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-122.2139.2-179.5-62.5-98.1000109.1R103 V105 S108R103-Y110 VanDerWaalsContact CZ-CD1 3.45Å; V105-Y110 HydrophobicContact CB-CD1 4.26Å; V105-Y110 HydrophobicContact CB-CE1 4.4Å; V105-Y110 HydrophobicContact CG1-CD1 3.8Å; V105-Y110 HydrophobicContact CG1-CE1 3.65Å; V105-Y110 HydrophobicContact CG1-CG 4.31Å; V105-Y110 HydrophobicContact CG2-CD1 3.53Å; V105-Y110 HydrophobicContact CG2-CE1 3.79Å; V105-Y110 HydrophobicContact CG2-CG 4.48Å; S108-Y110 WeakPolarHBondContact O-CD2 3.43Å; S108-Y110 WeakPolarHBondContact O-CE2 3.06Å
111S95Very high94.2Very high7 Ų756 Ų565%0.04928%0.276CS..PPolyproline II helixtrans-77.4165.816880.40000111.1L26 P27 S28 R103 A104L26-S111 VanDerWaalsContact O-CA 3.29Å; L26-S111 WeakPolarHBondContact O-CA 3.08Å; L26-S111 WeakPolarHBondContact O-CB 3.49Å; P27-S111 WeakPolarHBondContact O-CB 3.33Å; S28-S111 WeakPolarHBondContact CA-OG 3.47Å; R103-S111 WeakPolarHBondContact CA-OG 3.37Å; R103-S111 WeakPolarHBondContact CB-OG 3.47Å; A104-S111 PolarHBondContact N-OG 2.92Å; A104-S111 PolarHBondContact O-N 2.82Å
112N95.8Very high94.2Very high98 Ų9854.6 Ų54.652%0.52427%0.272SS..PPolyproline II helixtrans-58.9156.7159.4-70.7-59.6000111.1E25 S28E25-N112 PolarHBondContact OE1-ND2 2.98Å; S28-N112 VanDerWaalsContact CB-O 3.25Å; S28-N112 WeakPolarHBondContact CB-O 3.19Å
113W96.4Very high94.1Very high65 Ų6557 Ų5725%0.24629%0.285CS..PPolyproline II helixtrans-80.5116.9177.2-72.5101.9000111E58 A60 R101 R103E58-W113 HydrophobicContact CB-CH2 4.39Å; E58-W113 WeakPolarHBondContact O-CZ3 3.42Å; A60-W113 HydrophobicContact CB-CH2 3.86Å; A60-W113 HydrophobicContact CB-CZ3 4.01Å; R101-W113 HydrophobicContact CB-CE3 3.89Å; R101-W113 VanDerWaalsContact CD-CD2 3.49Å; R101-W113 VanDerWaalsContact CD-CE3 3.46Å; R101-W113 HydrophobicContact CG-CD2 4Å; R101-W113 HydrophobicContact CG-CE3 3.4Å; R101-W113 HydrophobicContact CG-CZ3 3.71Å; R101-W113 VanDerWaalsContact CZ-CE2 3.48Å; R103-W113 HydrophobicContact CB-CD2 4.02Å; R103-W113 HydrophobicContact CB-CE3 3.86Å; R103-W113 HydrophobicContact CB-CG 4.48Å; R103-W113 HydrophobicContact CB-CZ3 4.29Å; R103-W113 HydrophobicContact CG-CD2 4.01Å; R103-W113 HydrophobicContact CG-CE3 3.85Å; R103-W113 HydrophobicContact CG-CH2 3.96Å; R103-W113 HydrophobicContact CG-CZ2 4.09Å; R103-W113 HydrophobicContact CG-CZ3 3.83Å
114T97.8Very high94.1Very high23 Ų2356.9 Ų56.914%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-82.5130.7165.1-530000108.7S28 P29 V32 R101 V102S28-T114 WeakPolarHBondContact CB-OG1 3.44Å; P29-T114 WeakPolarHBondContact O-CB 3.29Å; P29-T114 VanDerWaalsContact O-CG2 3.3Å; P29-T114 WeakPolarHBondContact O-CG2 3.2Å; P29-T114 PolarHBondContact O-OG1 2.8Å; V32-T114 HydrophobicContact CB-CG2 4.31Å; V32-T114 HydrophobicContact CG2-CG2 3.62Å; R101-T114 CarbonylContact C-O 3.47Å; R101-T114 WeakPolarHBondContact CA-O 3.47Å; R101-T114 WeakPolarHBondContact CB-O 3.43Å; V102-T114 PolarHBondContact N-O 2.97Å; V102-T114 PolarHBondContact O-N 2.93Å
115I97.3Very high94.2Very high76 Ų7656.9 Ų56.939%0.3929%0.287SS..EExtended strand (participates in β ladder)trans-111.3147.4-175.5-50.6-177.3000108.6W69 A100 R101 E117W69-I115 HydrophobicContact CH2-CG2 4.02Å; W69-I115 HydrophobicContact CZ2-CD1 4.33Å; A100-I115 WeakPolarHBondContact O-CG2 3.48Å; R101-I115 HydrophobicContact CB-CB 4.4Å; R101-I115 HydrophobicContact CB-CG1 3.96Å; I115-E117 PolarHBondContact O-N 2.99Å
116T97.4Very high94.4Very high4 Ų458.1 Ų58.13%0.02529%0.293CS..  trans-55.2131.7169.959.40000110.3V32 F34 L43 R99 A100 T118V32-T116 HydrophobicContact CG1-CG2 3.85Å; V32-T116 WeakPolarHBondContact O-CA 3.35Å; F34-T116 HydrophobicContact CD2-CG2 4.04Å; F34-T116 HydrophobicContact CE2-CG2 3.96Å; L43-T116 HydrophobicContact CD1-CG2 4.04Å; R99-T116 PolarHBondContact NH1-O 3.43Å; A100-T116 HydrophobicContact CB-CG2 3.98Å; A100-T116 PolarHBondContact N-OG1 2.94Å; A100-T116 PolarHBondContact O-N 2.82Å; T116-T118 PolarHBondContact OG1-O 2.66Å; T116-T118 VanDerWaalsContact OG1-O 3.1Å
117E94.4Very high94.7Very high163 Ų16357.2 Ų57.276%0.76229%0.288SS*.SBendtrans-61.7-53.2-178-62.1178.9174.400111.2R99 I115R99-E117 PolarHBondContact NH1-O 2.75Å; R99-E117 PolarHBondContact NH2-O 3.48Å; R99-E117 VanDerWaalsContact NH2-O 3.11Å; I115-E117 PolarHBondContact O-N 2.99Å
118T94.3Very high95.2Very high74 Ų7452.7 Ų52.745%0.45427%0.265SS..SBendtrans-83.3173.4175.662.20000111.9T116 E124T116-T118 PolarHBondContact OG1-O 2.66Å; T116-T118 VanDerWaalsContact OG1-O 3.1Å; T118-E124 VanDerWaalsContact CB-OE1 3.28Å; T118-E124 WeakPolarHBondContact CB-OE1 3.43Å; T118-E124 PolarHBondContact OG1-OE1 3.07Å
119R95.6Very high95.8Very high99 Ų9948.3 Ų48.337%0.37423%0.234SC..PPolyproline II helixtrans-95.3121.4167.6175.1-171.968.2157.8-9.3107.1Y64 S96 Y98 T121Y64-R119 HydrophobicContact CD2-CG 4.23Å; S96-R119 VanDerWaalsContact O-CD 3.31Å; S96-R119 WeakPolarHBondContact O-CD 3.27Å; S96-R119 PolarHBondContact O-NH1 2.04Å; Y98-R119 CarbonylContact O-C 3.36Å; Y98-R119 WeakPolarHBondContact O-CA 3.46Å; Y98-R119 WeakPolarHBondContact O-CG 3.41Å; R119-T121 HydrophobicContact CG-CG2 4.1Å; R119-T121 VanDerWaalsContact NE-CG2 3.29Å; R119-T121 PolarHBondContact O-N 2.78Å
120F97.3Very high96Very high2 Ų248.8 Ų48.81%0.00924%0.239CC..BIsolated β-bridgetrans-65.9117175.7-179.8-133000109.9F34 A36 H41 L92 G97 Y98 E124 V125F34-F120 HydrophobicContact CB-CD2 3.92Å; F34-F120 HydrophobicContact CB-CE2 4.08Å; F34-F120 HydrophobicContact CB-CG 4.41Å; F34-F120 AromaticContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD1 3.88Å; F34-F120 HydrophobicContact CD1-CD2 4.24Å; F34-F120 AromaticContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE1 3.86Å; F34-F120 HydrophobicContact CD1-CE2 4.25Å; F34-F120 HydrophobicContact CD1-CG 4.09Å; F34-F120 HydrophobicContact CD1-CZ 4.06Å; F34-F120 HydrophobicContact CD2-CB 3.62Å; F34-F120 HydrophobicContact CD2-CD1 4.09Å; F34-F120 AromaticContact CD2-CD2 3.99Å; F34-F120 HydrophobicContact CD2-CD2 3.99Å; F34-F120 AromaticContact CD2-CG 3.64Å; F34-F120 HydrophobicContact CD2-CG 3.64Å; F34-F120 AromaticContact CE1-CD1 3.65Å; F34-F120 HydrophobicContact CE1-CD1 3.65Å; F34-F120 AromaticContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CE1 3.8Å; F34-F120 HydrophobicContact CE1-CG 4.2Å; F34-F120 HydrophobicContact CE1-CZ 4.45Å; F34-F120 HydrophobicContact CE2-CB 3.57Å; F34-F120 AromaticContact CE2-CD1 3.88Å; F34-F120 HydrophobicContact CE2-CD1 3.88Å; F34-F120 AromaticContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CE2-CG 3.77Å; F34-F120 HydrophobicContact CG-CB 4.29Å; F34-F120 HydrophobicContact CG-CD1 4.08Å; F34-F120 AromaticContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CD2 3.8Å; F34-F120 HydrophobicContact CG-CE1 4.37Å; F34-F120 HydrophobicContact CG-CE2 4.14Å; F34-F120 AromaticContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CG 3.79Å; F34-F120 HydrophobicContact CG-CZ 4.41Å; F34-F120 HydrophobicContact CZ-CB 4.21Å; F34-F120 AromaticContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CD1 3.65Å; F34-F120 HydrophobicContact CZ-CE1 4.27Å; F34-F120 HydrophobicContact CZ-CG 4.04Å; A36-F120 HydrophobicContact CB-CE2 3.46Å; A36-F120 VanDerWaalsContact CB-CE2 3.46Å; A36-F120 HydrophobicContact CB-CZ 3.61Å; H41-F120 HydrophobicContact CB-CE1 4.02Å; H41-F120 HydrophobicContact CB-CZ 3.99Å; H41-F120 AromaticContact CD2-CZ 3.88Å; H41-F120 AromaticContact CG-CE1 3.98Å; H41-F120 AromaticContact CG-CZ 3.8Å; L92-F120 HydrophobicContact CD1-CD1 3.8Å; L92-F120 HydrophobicContact CD1-CE1 3.75Å; L92-F120 HydrophobicContact CD1-CG 4.31Å; L92-F120 HydrophobicContact CD1-CZ 4.2Å; L92-F120 HydrophobicContact CD2-CD1 4.46Å; L92-F120 HydrophobicContact CD2-CE1 3.64Å; L92-F120 HydrophobicContact CD2-CE2 4.05Å; L92-F120 HydrophobicContact CD2-CZ 3.38Å; L92-F120 HydrophobicContact CG-CE1 4.29Å; L92-F120 HydrophobicContact CG-CZ 4.43Å; G97-F120 CarbonylContact C-O 3.53Å; G97-F120 WeakPolarHBondContact CA-O 3.42Å; Y98-F120 PolarHBondContact N-O 2.95Å; Y98-F120 PolarHBondContact O-N 3.23Å; F120-E124 HydrophobicContact CD2-CB 3.98Å; F120-E124 HydrophobicContact CE2-CB 4.37Å; F120-V125 HydrophobicContact CE2-CG2 4.37Å
121T96.8Very high96.1Very high17 Ų1745.6 Ų45.610%0.10423%0.233CC..  trans-133176.6175.961.90000109.8R119 D123 E124R119-T121 HydrophobicContact CG-CG2 4.1Å; R119-T121 VanDerWaalsContact NE-CG2 3.29Å; R119-T121 PolarHBondContact O-N 2.78Å; T121-D123 PolarHBondContact O-N 2.66Å; T121-D123 PolarHBondContact OG1-N 3.13Å; T121-D123 PolarHBondContact OG1-OD2 3.32Å; T121-E124 PolarHBondContact O-N 2.7Å; T121-E124 VanDerWaalsContact O-N 3.1Å
122V95.8Very high96.1Very high11 Ų1145.7 Ų45.77%0.06723%0.234CC..G310 helixtrans-49.7-30.9171.6-175.40000112.7Y93 E124 V125 F163 N215Y93-V122 HydrophobicContact CD1-CB 4.34Å; Y93-V122 HydrophobicContact CD1-CG1 3.87Å; Y93-V122 HydrophobicContact CD1-CG2 3.68Å; Y93-V122 HydrophobicContact CE1-CG1 4.11Å; Y93-V122 HydrophobicContact CE1-CG2 4.39Å; Y93-V122 HydrophobicContact CG-CG2 4.36Å; V122-E124 VanDerWaalsContact C-N 3.33Å; V122-E124 PolarHBondContact O-N 3.22Å; V122-V125 VanDerWaalsContact O-CB 3.28Å; V122-V125 WeakPolarHBondContact O-CB 3.5Å; V122-V125 WeakPolarHBondContact O-CG2 3.21Å; V122-V125 PolarHBondContact O-N 3.22Å; V122-F163 HydrophobicContact CG1-CE1 3.93Å; V122-F163 HydrophobicContact CG1-CZ 4.1Å; V122-N215 PolarHBondContact O-ND2 2.79Å
123D94.5Very high96.1Very high52 Ų5243.6 Ų43.628%0.27823%0.225SC..G310 helixtrans-77.8-17.9-174.6-37.1-70.5000113.2T121 V125 R213 I214 N215T121-D123 PolarHBondContact O-N 2.66Å; T121-D123 PolarHBondContact OG1-N 3.13Å; T121-D123 PolarHBondContact OG1-OD2 3.32Å; D123-V125 VanDerWaalsContact C-N 3.35Å; D123-R213 IonicContact OD1-CZ 3.88Å; D123-R213 IonicContact OD1-NH1 3.35Å; D123-R213 PolarHBondContact OD1-NH1 2.83Å; D123-I214 HydrophobicContact CB-CG1 4.27Å; D123-N215 PolarHBondContact O-ND2 3.36Å
124E95.8Very high95.9Very high53 Ų5341 Ų4125%0.24822%0.216CC..G310 helixtrans-85.6-8.2171-68.7-85.9-145.400112.4T118 F120 T121 V122 K216T118-E124 VanDerWaalsContact CB-OE1 3.28Å; T118-E124 WeakPolarHBondContact CB-OE1 3.43Å; T118-E124 PolarHBondContact OG1-OE1 3.07Å; F120-E124 HydrophobicContact CD2-CB 3.98Å; F120-E124 HydrophobicContact CE2-CB 4.37Å; T121-E124 PolarHBondContact O-N 2.7Å; T121-E124 VanDerWaalsContact O-N 3.1Å; V122-E124 VanDerWaalsContact C-N 3.33Å; V122-E124 PolarHBondContact O-N 3.22Å; E124-K216 IonicContact OE2-NZ 3.73Å; E124-K216 PolarHBondContact OE2-NZ 2.84Å
125V96.9Very high95.5Very high1 Ų146.7 Ų46.71%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-72.3134.6175.3-176.20000109.6A36 L92 Y93 F120 V122 D123 N215A36-V125 HydrophobicContact CB-CG2 4.28Å; L92-V125 HydrophobicContact CD2-CG2 3.78Å; Y93-V125 HydrophobicContact CE1-CG2 4.35Å; F120-V125 HydrophobicContact CE2-CG2 4.37Å; V122-V125 VanDerWaalsContact O-CB 3.28Å; V122-V125 WeakPolarHBondContact O-CB 3.5Å; V122-V125 WeakPolarHBondContact O-CG2 3.21Å; V122-V125 PolarHBondContact O-N 3.22Å; D123-V125 VanDerWaalsContact C-N 3.35Å; V125-N215 PolarHBondContact O-ND2 2.82Å
126I97.6Very high95.1Very high25 Ų2545.5 Ų45.513%0.12824%0.235CC..EExtended strand (participates in β ladder)trans-81.9120.5174.7-57.4170.7000108.3E35 A36 R37 T128 K216 E218E35-I126 HydrophobicContact CG-CD1 4.43Å; A36-I126 WeakPolarHBondContact O-CB 3.48Å; A36-I126 WeakPolarHBondContact O-CG1 3.24Å; A36-I126 PolarHBondContact O-N 3.32Å; R37-I126 HydrophobicContact CG-CB 4.3Å; I126-T128 HydrophobicContact CG2-CG2 4.32Å; I126-K216 WeakPolarHBondContact CA-O 3.14Å; I126-K216 HydrophobicContact CG1-CB 4.33Å; I126-E218 HydrophobicContact CG2-CB 4.31Å; I126-E218 HydrophobicContact CG2-CG 3.66Å
127L97.4Very high94.5Very high2 Ų248 Ų481%0.0125%0.252CS..BIsolated β-bridgetrans-71.5130.6173.4-60.4176.3000109.7Y159 F163 P208 V210 N215 K216 A217 E218L127-Y159 HydrophobicContact CD2-CE2 4.32Å; L127-F163 HydrophobicContact CD2-CD2 4.48Å; L127-F163 HydrophobicContact CD2-CE1 4Å; L127-F163 HydrophobicContact CD2-CE2 3.87Å; L127-F163 HydrophobicContact CD2-CZ 3.6Å; L127-P208 HydrophobicContact CB-CB 4.22Å; L127-P208 HydrophobicContact CB-CG 3.7Å; L127-V210 HydrophobicContact CD1-CB 4.24Å; L127-V210 HydrophobicContact CD1-CG2 3.88Å; L127-N215 HydrophobicContact CD1-CB 3.72Å; L127-N215 HydrophobicContact CD2-CB 4.41Å; L127-N215 HydrophobicContact CG-CB 3.69Å; L127-K216 PolarHBondContact N-O 3.5Å; L127-A217 HydrophobicContact CB-CB 4.17Å; L127-A217 WeakPolarHBondContact O-CA 3.4Å; L127-E218 PolarHBondContact O-N 3.11Å
128T96.8Very high93.9Very high20 Ų2046.1 Ų46.112%0.12325%0.248CC..  trans-133.8162.7-178.147.60000110.4R37 I126 P148 E218R37-T128 HydrophobicContact CG-CG2 3.99Å; I126-T128 HydrophobicContact CG2-CG2 4.32Å; T128-P148 WeakPolarHBondContact O-CD 3.43Å; T128-E218 HydrophobicContact CG2-CB 4.26Å; T128-E218 WeakPolarHBondContact CG2-OE2 3.08Å
129V96.4Very high93.3Very high12 Ų1244.7 Ų44.77%0.07325%0.248CC..  trans-120.8131.9168.7164.20000105.2S131 V132 I145 Y169 V206 P208V129-S131 WeakPolarHBondContact CG1-O 3.46Å; V129-V132 HydrophobicContact CG1-CG2 3.81Å; V129-I145 HydrophobicContact CB-CG2 4.38Å; V129-I145 HydrophobicContact CG1-CG2 3.7Å; V129-I145 HydrophobicContact CG2-CG2 3.7Å; V129-Y169 HydrophobicContact CG2-CD1 4.34Å; V129-Y169 HydrophobicContact CG2-CE1 4.2Å; V129-V206 HydrophobicContact CG2-CG1 4.4Å; V129-P208 HydrophobicContact CG2-CB 4.11Å; V129-P208 HydrophobicContact CG2-CG 4.09Å
130D94.6Very high92.9Very high109 Ų10943.8 Ų43.858%0.58325%0.246SC*.SBendtrans-67.3-55.4179.9169.790.8000110.2H146D130-H146 PolarHBondContact N-O 3.02Å; D130-H146 VanDerWaalsContact N-O 3.08Å
131S94.2Very high92.6Very high44 Ų4443.7 Ų43.731%0.30825%0.246SC..EExtended strand (participates in β ladder)trans-152.2159.9-177.850.40000111.4V129 H146V129-S131 WeakPolarHBondContact CG1-O 3.46Å; S131-H146 WeakPolarHBondContact O-CB 3.4Å; S131-H146 PolarHBondContact O-N 2.88Å; S131-H146 PolarHBondContact OG-CD2 3.15Å
132V95.6Very high92.4Very high10 Ų1047.5 Ų47.56%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-126.6131.7174.9-168.40000107.7V129 V134 V206 Q223V129-V132 HydrophobicContact CG1-CG2 3.81Å; V132-V134 HydrophobicContact CG1-CG2 3.7Å; V132-V206 HydrophobicContact CG1-CG2 4.06Å; V132-V206 HydrophobicContact CG2-CB 4.02Å; V132-V206 HydrophobicContact CG2-CG2 3.78Å; V132-Q223 VanDerWaalsContact O-CD 3.3Å; V132-Q223 PolarHBondContact O-NE2 3.13Å; V132-Q223 PolarHBondContact O-OE1 2.93Å
133T94.4Very high92.3Very high54 Ų5447.1 Ų47.133%0.33126%0.258SS..EExtended strand (participates in β ladder)trans-110.9111.4175.1-59.70000108.9G143 T144 H146T133-G143 CarbonylContact O-C 3.59Å; T133-G143 WeakPolarHBondContact O-CA 3.49Å; T133-T144 PolarHBondContact N-O 2.86Å; T133-T144 PolarHBondContact O-N 2.59Å; T133-H146 PolarHBondContact OG1-NE2 3.05Å
134V92.7Very high92.4Very high9 Ų946.9 Ų46.96%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-116.2131.9-177.5-172.60000110.3V132 I141 Y142 V204 Q223 L225V132-V134 HydrophobicContact CG1-CG2 3.7Å; V134-I141 HydrophobicContact CG1-CG2 3.29Å; V134-Y142 CarbonylContact C-O 3.59Å; V134-Y142 WeakPolarHBondContact CA-O 3.37Å; V134-V204 HydrophobicContact CG1-CG2 4.39Å; V134-V204 HydrophobicContact CG2-CB 4.26Å; V134-V204 HydrophobicContact CG2-CG1 4.31Å; V134-V204 HydrophobicContact CG2-CG2 4.48Å; V134-Q223 VanDerWaalsContact CB-OE1 3.3Å; V134-L225 HydrophobicContact CB-CD1 3.69Å; V134-L225 HydrophobicContact CG1-CD1 3.46Å; V134-L225 VanDerWaalsContact CG1-CD1 3.46Å
135K90.8Very high92.5Very high144 Ų14444.5 Ų44.563%0.62625%0.247SC*.EExtended strand (participates in β ladder)trans-124.5148.2177.2-64175.7-178.1173.50109.3Y142K135-Y142 PolarHBondContact N-O 3.36Å; K135-Y142 PolarHBondContact O-N 3Å
136V87.9Confident92.4Very high50 Ų5047.8 Ų47.830%0.30326%0.262SS..EExtended strand (participates in β ladder)trans-115.9128.7174.7-177.20000109.2F140 V195 F202 L225 V227V136-F140 WeakPolarHBondContact CA-O 3.41Å; V136-V195 HydrophobicContact CG1-CG2 3.88Å; V136-F202 HydrophobicContact CG2-CE1 4.1Å; V136-F202 HydrophobicContact CG2-CZ 3.66Å; V136-L225 HydrophobicContact CG2-CD1 4.16Å; V136-V227 HydrophobicContact CG1-CG1 4.34Å; V136-V227 HydrophobicContact CG1-CG2 4.31Å
137S83.9Confident92.3Very high57 Ų5747.3 Ų47.340%0.39926%0.26SS..EExtended strand (participates in β ladder)trans-150.3141.4173.9-178.70000109.9G139 F140S137-G139 PolarHBondContact O-N 3.27Å; S137-F140 PolarHBondContact N-O 3.47Å; S137-F140 PolarHBondContact O-N 2.85Å
138N82.4Confident92.2Very high124 Ų12447.7 Ų47.766%0.66326%0.263SS*.THydrogen-bonded Turntrans50.129175-60.4-19.4000115.9F140N138-F140 WeakPolarHBondContact O-CD2 3.33Å
139G81.1Confident92Very high44 Ų4452.8 Ų52.845%0.45428%0.28SS..THydrogen-bonded Turntrans83.77.9-177.300000115.3S137 V195S137-G139 PolarHBondContact O-N 3.27Å; G139-V195 VanDerWaalsContact O-CB 3.27Å; G139-V195 WeakPolarHBondContact O-CB 3.45Å; G139-V195 VanDerWaalsContact O-CG2 3.31Å; G139-V195 WeakPolarHBondContact O-CG2 3.21Å; G139-V195 PolarHBondContact O-N 3.09Å
140F88.2Confident91.9Very high79 Ų7954.3 Ų54.335%0.34629%0.29SS..EExtended strand (participates in β ladder)trans-113.3147.9175.3-65.3-87.4000112V136 S137 N138 Y142 T192 E194V136-F140 WeakPolarHBondContact CA-O 3.41Å; S137-F140 PolarHBondContact N-O 3.47Å; S137-F140 PolarHBondContact O-N 2.85Å; N138-F140 WeakPolarHBondContact O-CD2 3.33Å; F140-Y142 HydrophobicContact CB-CD2 4.36Å; F140-Y142 HydrophobicContact CB-CE2 3.67Å; F140-T192 HydrophobicContact CB-CG2 4.02Å; F140-T192 HydrophobicContact CD1-CG2 3.89Å; F140-T192 HydrophobicContact CG-CG2 4.25Å; F140-E194 HydrophobicContact CD1-CG 4.21Å; F140-E194 HydrophobicContact CE1-CG 3.76Å
141I89.8Confident91.6Very high1 Ų157.6 Ų57.61%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-97.5111.9172.2-54.5179.8000106.8V134 I173 F191 T192 L193 V195 F202V134-I141 HydrophobicContact CG1-CG2 3.29Å; I141-I173 HydrophobicContact CD1-CD1 3.85Å; I141-F191 HydrophobicContact CG2-CE2 4.47Å; I141-T192 CarbonylContact O-C 3.43Å; I141-T192 WeakPolarHBondContact O-CA 3.46Å; I141-L193 HydrophobicContact CB-CB 4.35Å; I141-L193 WeakPolarHBondContact CB-O 3.23Å; I141-L193 PolarHBondContact N-O 2.87Å; I141-L193 PolarHBondContact O-N 2.76Å; I141-V195 HydrophobicContact CD1-CG2 4.23Å; I141-V195 HydrophobicContact CG1-CB 4.38Å; I141-V195 HydrophobicContact CG1-CG2 3.48Å; I141-V195 VanDerWaalsContact CG1-CG2 3.48Å; I141-F202 HydrophobicContact CD1-CE1 4.33Å; I141-F202 HydrophobicContact CD1-CE2 3.85Å; I141-F202 HydrophobicContact CD1-CZ 3.68Å; I141-F202 HydrophobicContact CG1-CE2 4.42Å; I141-F202 HydrophobicContact CG1-CZ 3.88Å
142Y92.9Very high91.3Very high97 Ų9759.3 Ų59.338%0.3831%0.313SS..EExtended strand (participates in β ladder)trans-98.8115.5172.5-61.1-86.3000108.1V134 K135 F140 T192V134-Y142 CarbonylContact C-O 3.59Å; V134-Y142 WeakPolarHBondContact CA-O 3.37Å; K135-Y142 PolarHBondContact N-O 3.36Å; K135-Y142 PolarHBondContact O-N 3Å; F140-Y142 HydrophobicContact CB-CD2 4.36Å; F140-Y142 HydrophobicContact CB-CE2 3.67Å; Y142-T192 HydrophobicContact CD1-CG2 4.06Å; Y142-T192 WeakPolarHBondContact CD1-OG1 3.14Å; Y142-T192 HydrophobicContact CE1-CG2 3.78Å
143G94.4Very high91.2Very high3 Ų361 Ų613%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-115.8136179.900000111.9T133 N190 F191T133-G143 CarbonylContact O-C 3.59Å; T133-G143 WeakPolarHBondContact O-CA 3.49Å; G143-N190 CarbonylContact O-C 3.54Å; G143-N190 WeakPolarHBondContact O-CA 3.41Å; G143-F191 PolarHBondContact N-O 3.22Å; G143-F191 PolarHBondContact O-N 2.83Å
144T96.8Very high91.1Very high47 Ų4760.4 Ų60.429%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-115121.9165.1-580000107.9T133 E189 N190T133-T144 PolarHBondContact N-O 2.86Å; T133-T144 PolarHBondContact O-N 2.59Å; T144-E189 CarbonylContact C-O 3.58Å; T144-E189 WeakPolarHBondContact CA-O 3.44Å; T144-N190 WeakPolarHBondContact CB-OD1 2.97Å; T144-N190 WeakPolarHBondContact CG2-OD1 3.01Å; T144-N190 PolarHBondContact OG1-OD1 3.42Å
145I96.7Very high90.9Very high3 Ų367.6 Ų67.62%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-91.6128.9174.6-59.6168000107V129 P147 Y169 V186 E189 F191 V206V129-I145 HydrophobicContact CB-CG2 4.38Å; V129-I145 HydrophobicContact CG1-CG2 3.7Å; V129-I145 HydrophobicContact CG2-CG2 3.7Å; I145-P147 WeakPolarHBondContact O-CD 3.43Å; I145-Y169 HydrophobicContact CD1-CD1 3.78Å; I145-Y169 HydrophobicContact CD1-CD2 3.94Å; I145-Y169 HydrophobicContact CD1-CE1 4.43Å; I145-Y169 HydrophobicContact CD1-CG 3.49Å; I145-Y169 VanDerWaalsContact CD1-CG 3.49Å; I145-Y169 HydrophobicContact CG2-CD1 4.06Å; I145-Y169 HydrophobicContact CG2-CE1 3.88Å; I145-V186 HydrophobicContact CD1-CG2 4.36Å; I145-E189 HydrophobicContact CB-CB 4.38Å; I145-E189 WeakPolarHBondContact CB-O 3.43Å; I145-E189 WeakPolarHBondContact CG1-O 3.35Å; I145-E189 PolarHBondContact N-O 2.75Å; I145-F191 HydrophobicContact CD1-CD1 3.83Å; I145-F191 HydrophobicContact CD1-CE1 3.84Å; I145-F191 HydrophobicContact CG1-CD1 4.03Å; I145-F191 HydrophobicContact CG1-CE1 3.74Å; I145-V206 HydrophobicContact CD1-CG1 3.92Å; I145-V206 HydrophobicContact CG1-CG1 4.35Å; I145-V206 HydrophobicContact CG1-CG2 4.42Å
146H95.8Very high90.9Very high70 Ų7062.8 Ų62.832%0.32436%0.356SS..EExtended strand (participates in β ladder)trans-102.2111.2175.8-59.4-61.1000109.4D130 S131 T133D130-H146 PolarHBondContact N-O 3.02Å; D130-H146 VanDerWaalsContact N-O 3.08Å; S131-H146 WeakPolarHBondContact O-CB 3.4Å; S131-H146 PolarHBondContact O-N 2.88Å; S131-H146 PolarHBondContact OG-CD2 3.15Å; T133-H146 PolarHBondContact OG1-NE2 3.05Å
147P94.8Very high91.2Very high14 Ų1461.3 Ų61.39%0.09135%0.346CS..  trans-63.5154.8174.9-24.737.8000112.1I145 R149 Y159 E160 E189I145-P147 WeakPolarHBondContact O-CD 3.43Å; P147-R149 PolarHBondContact O-N 2.85Å; P147-Y159 HydrophobicContact CB-CD1 3.66Å; P147-Y159 HydrophobicContact CB-CE1 4.33Å; P147-Y159 HydrophobicContact CB-CG 3.86Å; P147-Y159 HydrophobicContact CG-CD1 4.28Å; P147-E160 HydrophobicContact CG-CG 4.46Å; P147-E160 WeakPolarHBondContact CG-OE1 3.39Å; P147-E189 HydrophobicContact CG-CG 4.32Å
148P95.5Very high91.7Very high11 Ų1162.5 Ų62.57%0.07135%0.345CS..  trans-62.3123.6-178.625.3-34.2000111.8F38 T128 P150 Y159F38-P148 HydrophobicContact CB-CB 4.22Å; F38-P148 HydrophobicContact CB-CG 3.71Å; F38-P148 HydrophobicContact CD1-CB 4.31Å; F38-P148 HydrophobicContact CD1-CG 3.92Å; F38-P148 WeakPolarHBondContact CD1-O 3.45Å; F38-P148 HydrophobicContact CG-CG 4.05Å; T128-P148 WeakPolarHBondContact O-CD 3.43Å; P148-P150 VanDerWaalsContact C-CD 3.42Å; P148-P150 WeakPolarHBondContact O-CD 3.41Å; P148-Y159 HydrophobicContact CG-CD2 3.6Å; P148-Y159 HydrophobicContact CG-CE2 3.94Å; P148-Y159 HydrophobicContact CG-CG 4.35Å
149R94.1Very high92.3Very high127 Ų12756.7 Ų56.748%0.47931%0.314SS..  trans-116.973.1175.6-58.3-48.5-165.8115.5-12.4112.1P147 E158 E160P147-R149 PolarHBondContact O-N 2.85Å; R149-E158 IonicContact CZ-OE2 3.43Å; R149-E158 VanDerWaalsContact NH1-CD 3.29Å; R149-E158 IonicContact NH1-OE2 2.79Å; R149-E158 PolarHBondContact NH1-OE2 2.77Å; R149-E158 IonicContact NH2-OE2 2.72Å; R149-E158 PolarHBondContact NH2-OE2 3.24Å; R149-E160 IonicContact CZ-OE1 2.87Å; R149-E160 IonicContact CZ-OE2 3.28Å; R149-E160 IonicContact NE-OE1 3.21Å; R149-E160 IonicContact NE-OE2 2.9Å; R149-E160 IonicContact NH2-OE1 3.1Å; R149-E160 PolarHBondContact NH2-OE1 2.83Å; R149-E160 IonicContact NH2-OE2 3.8Å; R149-E160 PolarHBondContact NH2-OE2 3.48Å
150P92.9Very high92.9Very high43 Ų4356.7 Ų56.728%0.27930%0.302SS..  trans-61.3153.9175.1-21.633000113.1F38 F39 P148 L152 V153F38-P150 HydrophobicContact CD1-CG 4.4Å; F38-P150 VanDerWaalsContact O-CG 3.23Å; F38-P150 WeakPolarHBondContact O-CG 3.47Å; F39-P150 HydrophobicContact CB-CB 4.27Å; F39-P150 HydrophobicContact CB-CG 4.06Å; P148-P150 VanDerWaalsContact C-CD 3.42Å; P148-P150 WeakPolarHBondContact O-CD 3.41Å; P150-L152 PolarHBondContact O-N 2.72Å; P150-L152 VanDerWaalsContact O-N 3.1Å; P150-V153 HydrophobicContact CB-CG2 4.17Å; P150-V153 HydrophobicContact CG-CG2 4.29Å; P150-V153 WeakPolarHBondContact O-CG2 3.35Å
151N88.5Confident93.2Very high179 Ų17958.2 Ų58.296%0.95731%0.311SS*.THydrogen-bonded Turntrans-65.9-10.9178.2-63.7-38.3000114.6
152L88.5Confident93.4Very high80 Ų8059.3 Ų59.342%0.41932%0.316SS..THydrogen-bonded Turntrans-124.252.1-171-161.876.7000111.9F39 T86 T87 L90 P150F39-L152 WeakPolarHBondContact CD1-O 3.31Å; T86-L152 HydrophobicContact CG2-CD2 4.03Å; T87-L152 HydrophobicContact CG2-CD2 3.73Å; L90-L152 HydrophobicContact CD2-CD2 3.9Å; L90-L152 HydrophobicContact CD2-CG 4.03Å; P150-L152 PolarHBondContact O-N 2.72Å; P150-L152 VanDerWaalsContact O-N 3.1Å
153V92.8Very high93.4Very high45 Ų4554.9 Ų54.927%0.27330%0.299SS..  trans-104.2126.7176.6177.70000109.7F38 F39 P150 D157F38-V153 HydrophobicContact CE1-CG2 4.41Å; F39-V153 HydrophobicContact CB-CG2 4.06Å; F39-V153 HydrophobicContact CD2-CB 4.44Å; F39-V153 HydrophobicContact CD2-CG1 4.25Å; F39-V153 HydrophobicContact CD2-CG2 3.81Å; F39-V153 HydrophobicContact CE2-CG1 4.09Å; F39-V153 HydrophobicContact CE2-CG2 4.46Å; F39-V153 HydrophobicContact CG-CG2 3.97Å; P150-V153 HydrophobicContact CB-CG2 4.17Å; P150-V153 HydrophobicContact CG-CG2 4.29Å; P150-V153 WeakPolarHBondContact O-CG2 3.35Å; V153-D157 HydrophobicContact CG1-CB 4.19Å; V153-D157 WeakPolarHBondContact CG1-O 3.43Å
154P92.6Very high93.3Very high42 Ų4258.2 Ų58.227%0.27332%0.319SS..  trans-60.5148.5171.2-22.633.5000112.9F39 L90 G156 D157F39-P154 HydrophobicContact CE1-CG 3.9Å; F39-P154 VanDerWaalsContact CZ-CD 3.41Å; F39-P154 HydrophobicContact CZ-CG 4.14Å; L90-P154 HydrophobicContact CB-CG 4.24Å; P154-G156 PolarHBondContact O-N 3.28Å; P154-D157 HydrophobicContact CB-CB 4.15Å; P154-D157 HydrophobicContact CG-CB 4.35Å; P154-D157 PolarHBondContact O-N 2.79Å
155V89.6Confident93Very high159 Ų15962 Ų6296%0.96433%0.333SS*.THydrogen-bonded Turntrans-63.9120.7176.9-1790000109.7
156G89.6Confident92.7Very high44 Ų4467.1 Ų67.145%0.45436%0.356SS..THydrogen-bonded Turntrans102.4-17.3-173.700000114.3P154 E158 Q161P154-G156 PolarHBondContact O-N 3.28Å; G156-E158 VanDerWaalsContact C-N 3.34Å; G156-E158 PolarHBondContact O-N 2.96Å; G156-Q161 WeakPolarHBondContact O-CB 3.33Å; G156-Q161 WeakPolarHBondContact O-CG 3.44Å
157D94.4Very high92.6Very high19 Ų1965.9 Ų65.910%0.10235%0.349CS..  trans-9733.6-176.5-67.9-2.5000112.7F38 F39 H94 V153 P154 I162F38-D157 WeakPolarHBondContact CZ-O 3.21Å; F39-D157 HydrophobicContact CE2-CB 3.87Å; F39-D157 WeakPolarHBondContact CE2-O 3.5Å; F39-D157 HydrophobicContact CZ-CB 3.64Å; H94-D157 IonicContact CD2-OD1 3.98Å; H94-D157 IonicContact CD2-OD2 3.6Å; H94-D157 IonicContact CE1-OD1 2.61Å; H94-D157 IonicContact NE2-OD1 2.77Å; H94-D157 PolarHBondContact NE2-OD1 2.9Å; H94-D157 IonicContact NE2-OD2 3.71Å; V153-D157 HydrophobicContact CG1-CB 4.19Å; V153-D157 WeakPolarHBondContact CG1-O 3.43Å; P154-D157 HydrophobicContact CB-CB 4.15Å; P154-D157 HydrophobicContact CG-CB 4.35Å; P154-D157 PolarHBondContact O-N 2.79Å; D157-I162 HydrophobicContact CB-CD1 3.97Å; D157-I162 HydrophobicContact CB-CG1 4.26Å
158E94.7Very high92.7Very high81 Ų8166.3 Ų66.338%0.37935%0.35SS..  trans-63.8154.5173.9-60.1-175.4-151.200111.3R149 G156 E160 Q161 I162R149-E158 IonicContact CZ-OE2 3.43Å; R149-E158 VanDerWaalsContact NH1-CD 3.29Å; R149-E158 IonicContact NH1-OE2 2.79Å; R149-E158 PolarHBondContact NH1-OE2 2.77Å; R149-E158 IonicContact NH2-OE2 2.72Å; R149-E158 PolarHBondContact NH2-OE2 3.24Å; G156-E158 VanDerWaalsContact C-N 3.34Å; G156-E158 PolarHBondContact O-N 2.96Å; E158-E160 PolarHBondContact O-N 3.12Å; E158-E160 VanDerWaalsContact O-N 3.16Å; E158-Q161 HydrophobicContact CB-CG 4.09Å; E158-Q161 WeakPolarHBondContact O-CA 3.33Å; E158-Q161 WeakPolarHBondContact O-CB 3.11Å; E158-Q161 PolarHBondContact O-N 3.42Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.49Å
159Y94.4Very high92.7Very high2 Ų265.9 Ų65.91%0.00835%0.347CS..Hα-helixtrans-54.9-40.6-175.2-177.5-87.6000112.4F38 L127 P147 P148 Q161 F163F38-Y159 HydrophobicContact CB-CD2 4.42Å; F38-Y159 HydrophobicContact CD1-CD2 4.07Å; F38-Y159 AromaticContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CD2-CD2 3.89Å; F38-Y159 HydrophobicContact CE1-CD2 4.3Å; F38-Y159 HydrophobicContact CE2-CD2 4.13Å; F38-Y159 AromaticContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CG-CD2 3.86Å; F38-Y159 HydrophobicContact CZ-CD2 4.33Å; L127-Y159 HydrophobicContact CD2-CE2 4.32Å; P147-Y159 HydrophobicContact CB-CD1 3.66Å; P147-Y159 HydrophobicContact CB-CE1 4.33Å; P147-Y159 HydrophobicContact CB-CG 3.86Å; P147-Y159 HydrophobicContact CG-CD1 4.28Å; P148-Y159 HydrophobicContact CG-CD2 3.6Å; P148-Y159 HydrophobicContact CG-CE2 3.94Å; P148-Y159 HydrophobicContact CG-CG 4.35Å; Y159-Q161 VanDerWaalsContact C-N 3.31Å; Y159-Q161 PolarHBondContact O-N 3.24Å; Y159-F163 HydrophobicContact CD1-CD2 4.27Å; Y159-F163 AromaticContact CD2-CD2 3.76Å; Y159-F163 HydrophobicContact CD2-CD2 3.76Å; Y159-F163 AromaticContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CE1-CD2 4.16Å; Y159-F163 AromaticContact CE2-CD2 3.64Å; Y159-F163 HydrophobicContact CE2-CD2 3.64Å; Y159-F163 AromaticContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CG-CD2 4.09Å; Y159-F163 AromaticContact CZ-CD2 3.84Å; Y159-F163 WeakPolarHBondContact O-CB 3.19Å; Y159-F163 WeakPolarHBondContact O-CD2 3.28Å; Y159-F163 PolarHBondContact O-N 2.61Å
160E94Very high92.8Very high44 Ų4466 Ų6621%0.20635%0.347CS..Hα-helixtrans-72.5-22.6179.5-55.189.2149.900112.5P147 R149 E158 T164P147-E160 HydrophobicContact CG-CG 4.46Å; P147-E160 WeakPolarHBondContact CG-OE1 3.39Å; R149-E160 IonicContact CZ-OE1 2.87Å; R149-E160 IonicContact CZ-OE2 3.28Å; R149-E160 IonicContact NE-OE1 3.21Å; R149-E160 IonicContact NE-OE2 2.9Å; R149-E160 IonicContact NH2-OE1 3.1Å; R149-E160 PolarHBondContact NH2-OE1 2.83Å; R149-E160 IonicContact NH2-OE2 3.8Å; R149-E160 PolarHBondContact NH2-OE2 3.48Å; E158-E160 PolarHBondContact O-N 3.12Å; E158-E160 VanDerWaalsContact O-N 3.16Å; E160-T164 VanDerWaalsContact O-CA 3.29Å; E160-T164 WeakPolarHBondContact O-CA 3.47Å
161Q94.1Very high92.9Very high112 Ų11264 Ų6452%0.52333%0.334SS..Hα-helixtrans-82.6-48.5172.8-60.1-64.5-18.500110.5G156 E158 Y159 F163 T164G156-Q161 WeakPolarHBondContact O-CB 3.33Å; G156-Q161 WeakPolarHBondContact O-CG 3.44Å; E158-Q161 HydrophobicContact CB-CG 4.09Å; E158-Q161 WeakPolarHBondContact O-CA 3.33Å; E158-Q161 WeakPolarHBondContact O-CB 3.11Å; E158-Q161 PolarHBondContact O-N 3.42Å; Y159-Q161 VanDerWaalsContact C-N 3.31Å; Y159-Q161 PolarHBondContact O-N 3.24Å; Q161-F163 VanDerWaalsContact C-N 3.33Å; Q161-F163 PolarHBondContact O-N 3.35Å; Q161-T164 PolarHBondContact O-N 2.58Å; Q161-T164 PolarHBondContact O-OG1 2.74Å
162I94.6Very high93.1Very high24 Ų2455.8 Ų55.812%0.12329%0.291CS..Hα-helixtrans-63-37.1178.6-63.3-49.7000112.3F38 Y93 D157 E158F38-I162 HydrophobicContact CE2-CB 4.16Å; F38-I162 HydrophobicContact CE2-CG1 4.13Å; F38-I162 HydrophobicContact CE2-CG2 4.23Å; F38-I162 HydrophobicContact CZ-CG1 4.22Å; Y93-I162 HydrophobicContact CD1-CG2 3.46Å; Y93-I162 VanDerWaalsContact CD1-CG2 3.46Å; Y93-I162 HydrophobicContact CE1-CG2 4.11Å; Y93-I162 HydrophobicContact CG-CD1 4.27Å; Y93-I162 HydrophobicContact CG-CG1 4.34Å; Y93-I162 HydrophobicContact CG-CG2 3.97Å; D157-I162 HydrophobicContact CB-CD1 3.97Å; D157-I162 HydrophobicContact CB-CG1 4.26Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.49Å
163F93.8Very high93.2Very high4 Ų452.1 Ų52.12%0.01827%0.272CS..THydrogen-bonded Turntrans-112.455.4177.6-57.3-70.7000110.7F38 V122 L127 Y159 Q161 H165 R167 V210F38-F163 AromaticContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CD2-CE2 3.93Å; F38-F163 HydrophobicContact CE2-CE2 4Å; V122-F163 HydrophobicContact CG1-CE1 3.93Å; V122-F163 HydrophobicContact CG1-CZ 4.1Å; L127-F163 HydrophobicContact CD2-CD2 4.48Å; L127-F163 HydrophobicContact CD2-CE1 4Å; L127-F163 HydrophobicContact CD2-CE2 3.87Å; L127-F163 HydrophobicContact CD2-CZ 3.6Å; Y159-F163 HydrophobicContact CD1-CD2 4.27Å; Y159-F163 AromaticContact CD2-CD2 3.76Å; Y159-F163 HydrophobicContact CD2-CD2 3.76Å; Y159-F163 AromaticContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CD2-CE2 3.89Å; Y159-F163 HydrophobicContact CE1-CD2 4.16Å; Y159-F163 AromaticContact CE2-CD2 3.64Å; Y159-F163 HydrophobicContact CE2-CD2 3.64Å; Y159-F163 AromaticContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CG-CD2 4.09Å; Y159-F163 AromaticContact CZ-CD2 3.84Å; Y159-F163 WeakPolarHBondContact O-CB 3.19Å; Y159-F163 WeakPolarHBondContact O-CD2 3.28Å; Y159-F163 PolarHBondContact O-N 2.61Å; Q161-F163 VanDerWaalsContact C-N 3.33Å; Q161-F163 PolarHBondContact O-N 3.35Å; F163-H165 VanDerWaalsContact C-N 3.28Å; F163-H165 PolarHBondContact O-N 3.24Å; F163-H165 VanDerWaalsContact O-N 3.13Å; F163-R167 HydrophobicContact CB-CG 4.14Å; F163-R167 WeakPolarHBondContact O-CD 3.3Å; F163-R167 WeakPolarHBondContact O-CG 3.4Å; F163-R167 PolarHBondContact O-NH1 3.09Å; F163-V210 HydrophobicContact CB-CG2 4.11Å; F163-V210 HydrophobicContact CD1-CG1 4.45Å; F163-V210 HydrophobicContact CD1-CG2 3.94Å; F163-V210 HydrophobicContact CG-CG2 4.14Å
164T91.5Very high93Very high73 Ų7354.3 Ų54.345%0.44828%0.275SS..  trans-56.2-33-167.8-15.70000115.4E160 Q161 R167E160-T164 VanDerWaalsContact O-CA 3.29Å; E160-T164 WeakPolarHBondContact O-CA 3.47Å; Q161-T164 PolarHBondContact O-N 2.58Å; Q161-T164 PolarHBondContact O-OG1 2.74Å; T164-R167 VanDerWaalsContact C-NH1 3.32Å; T164-R167 PolarHBondContact O-NH1 3Å
165H89.8Confident92.5Very high127 Ų12753.8 Ų53.859%0.58827%0.269SS*.SBendtrans-133.4157.4-173-56.2104.1000112F163 R167F163-H165 VanDerWaalsContact C-N 3.28Å; F163-H165 PolarHBondContact O-N 3.24Å; F163-H165 VanDerWaalsContact O-N 3.13Å; H165-R167 VanDerWaalsContact C-N 3.27Å; H165-R167 PolarHBondContact O-N 3.26Å
166H90.7Very high91.7Very high110 Ų11053 Ų5351%0.50925%0.253SS..  trans59.330175.7-39.295.3000114.8I168 V210 E211H166-I168 PolarHBondContact O-N 2.81Å; H166-V210 WeakPolarHBondContact O-CA 3.39Å; H166-E211 HydrophobicContact CB-CB 4.07Å; H166-E211 PolarHBondContact O-N 2.95Å
167R94.6Very high90.6Very high43 Ų4356.5 Ų56.516%0.16227%0.27CS..EExtended strand (participates in β ladder)trans-69.8126.1167.4-62-171-58.6-71.8-2.8108.8F163 T164 H165 Y169 E189 V210F163-R167 HydrophobicContact CB-CG 4.14Å; F163-R167 WeakPolarHBondContact O-CD 3.3Å; F163-R167 WeakPolarHBondContact O-CG 3.4Å; F163-R167 PolarHBondContact O-NH1 3.09Å; T164-R167 VanDerWaalsContact C-NH1 3.32Å; T164-R167 PolarHBondContact O-NH1 3Å; H165-R167 VanDerWaalsContact C-N 3.27Å; H165-R167 PolarHBondContact O-N 3.26Å; R167-Y169 HydrophobicContact CB-CE2 4.11Å; R167-E189 IonicContact CZ-OE1 2.85Å; R167-E189 IonicContact NE-OE1 2.7Å; R167-E189 PolarHBondContact NE-OE1 3.18Å; R167-E189 IonicContact NH2-OE1 3.47Å; R167-E189 PolarHBondContact NH2-OE1 2.7Å; R167-E189 IonicContact NH2-OE2 2.9Å; R167-V210 HydrophobicContact CG-CG2 4.42Å
168I95.4Very high89Confident24 Ų2460.5 Ų60.512%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-134.3134.5-176.8-63-177.9000108.4H166 T185 P208 H209 E211H166-I168 PolarHBondContact O-N 2.81Å; I168-T185 HydrophobicContact CG2-CG2 3.27Å; I168-P208 CarbonylContact O-C 3.58Å; I168-H209 HydrophobicContact CB-CB 4.48Å; I168-H209 PolarHBondContact N-O 2.7Å; I168-H209 WeakPolarHBondContact O-CA 3.13Å; I168-H209 WeakPolarHBondContact O-CB 3.48Å; I168-H209 PolarHBondContact O-N 2.76Å; I168-H209 VanDerWaalsContact O-O 3.08Å; I168-E211 HydrophobicContact CD1-CB 3.98Å
169Y96.4Very high87.4Confident2 Ų266.6 Ų66.61%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-118.4122.1-177.4-59.4-86.1000110.4V129 I145 R167 V171 T185 V186 E189 V206 P208V129-Y169 HydrophobicContact CG2-CD1 4.34Å; V129-Y169 HydrophobicContact CG2-CE1 4.2Å; I145-Y169 HydrophobicContact CD1-CD1 3.78Å; I145-Y169 HydrophobicContact CD1-CD2 3.94Å; I145-Y169 HydrophobicContact CD1-CE1 4.43Å; I145-Y169 HydrophobicContact CD1-CG 3.49Å; I145-Y169 VanDerWaalsContact CD1-CG 3.49Å; I145-Y169 HydrophobicContact CG2-CD1 4.06Å; I145-Y169 HydrophobicContact CG2-CE1 3.88Å; R167-Y169 HydrophobicContact CB-CE2 4.11Å; Y169-V171 PolarHBondContact O-N 3.48Å; Y169-T185 WeakPolarHBondContact O-CA 3.08Å; Y169-V186 PolarHBondContact N-O 2.85Å; Y169-V186 PolarHBondContact O-N 2.78Å; Y169-E189 HydrophobicContact CE2-CG 4.1Å; Y169-V206 HydrophobicContact CD1-CG1 4.03Å; Y169-V206 HydrophobicContact CG-CG1 4.42Å; Y169-P208 HydrophobicContact CD1-CB 4Å; Y169-P208 HydrophobicContact CE1-CB 3.94Å
170R96Very high86.4Confident128 Ų12874.5 Ų74.548%0.48335%0.351SS..EExtended strand (participates in β ladder)trans-87.7100.8173.6-78.4178.9162.5-168.6-3.9109.2T183 K184 V206 M207 W219R170-T183 HydrophobicContact CB-CG2 4.46Å; R170-K184 CarbonylContact C-O 3.57Å; R170-K184 WeakPolarHBondContact CA-O 3.44Å; R170-V206 WeakPolarHBondContact O-CA 3.31Å; R170-M207 HydrophobicContact CB-CB 4.41Å; R170-M207 HydrophobicContact CB-CE 4.43Å; R170-M207 PolarHBondContact N-O 2.74Å; R170-M207 PolarHBondContact O-N 2.94Å; R170-W219 WeakPolarHBondContact O-CZ3 3.4Å
171V95.4Very high85.9Confident1 Ų175.9 Ų75.91%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-85.4118.1176.4-172.40000108.8Y169 I173 T183 K184 V186 F191 L193 V204 V206Y169-V171 PolarHBondContact O-N 3.48Å; V171-I173 HydrophobicContact CG1-CG1 4.47Å; V171-T183 CarbonylContact O-C 3.59Å; V171-T183 WeakPolarHBondContact O-CA 3.47Å; V171-K184 PolarHBondContact N-O 2.93Å; V171-K184 PolarHBondContact O-N 2.75Å; V171-V186 HydrophobicContact CG2-CG1 4.15Å; V171-V186 HydrophobicContact CG2-CG2 3.78Å; V171-F191 HydrophobicContact CG1-CE2 4.15Å; V171-F191 HydrophobicContact CG1-CZ 3.87Å; V171-F191 HydrophobicContact CG2-CD1 4.3Å; V171-F191 HydrophobicContact CG2-CE1 3.91Å; V171-F191 HydrophobicContact CG2-CE2 4.32Å; V171-F191 HydrophobicContact CG2-CZ 3.91Å; V171-L193 HydrophobicContact CB-CD1 4.23Å; V171-L193 HydrophobicContact CG1-CD1 3.97Å; V171-V204 HydrophobicContact CG1-CG1 3.6Å; V171-V206 HydrophobicContact CG1-CG2 4.45Å; V171-V206 HydrophobicContact CG2-CG2 4.26Å
172C93Very high85.6Confident7 Ų772.7 Ų72.75%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-108.2117.1177.1-174.20000109.9V204 K205 W219C172-V204 WeakPolarHBondContact O-CA 3.31Å; C172-K205 HydrophobicContact CB-CG 4.11Å; C172-K205 PolarHBondContact N-O 3.11Å; C172-K205 PolarHBondContact O-N 3.2Å; C172-W219 HydrophobicContact CB-CE3 4.39Å; C172-W219 HydrophobicContact CB-CH2 3.62Å; C172-W219 HydrophobicContact CB-CZ3 3.43Å; C172-W219 VanDerWaalsContact CB-CZ3 3.43Å
173I90.9Very high85.5Confident3 Ų375.4 Ų75.42%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-99.5106.7177.4-56.8169.3000107.9I141 V171 I182 L193 M199 F202 C203 V204I141-I173 HydrophobicContact CD1-CD1 3.85Å; V171-I173 HydrophobicContact CG1-CG1 4.47Å; I173-I182 HydrophobicContact CB-CB 4.49Å; I173-I182 PolarHBondContact N-O 3.47Å; I173-I182 PolarHBondContact O-N 3.2Å; I173-L193 HydrophobicContact CD1-CD1 4.21Å; I173-M199 HydrophobicContact CG2-SD 4.16Å; I173-F202 HydrophobicContact CG2-CB 4.18Å; I173-F202 HydrophobicContact CG2-CD2 4.1Å; I173-F202 HydrophobicContact CG2-CG 4.32Å; I173-C203 CarbonylContact C-O 3.56Å; I173-C203 WeakPolarHBondContact CA-O 3.04Å; I173-V204 HydrophobicContact CG1-CG2 4.47Å
174R88.2Confident85.4Confident92 Ų9280.5 Ų80.535%0.34739%0.386SS..EExtended strand (participates in β ladder)trans-83.5116.8173.3-177.5162.976.1100-6109.9N181 F202 C203 E222R174-N181 WeakPolarHBondContact CA-OD1 3.41Å; R174-N181 WeakPolarHBondContact CG-OD1 3.43Å; R174-F202 WeakPolarHBondContact O-CA 3.23Å; R174-C203 PolarHBondContact N-O 3.17Å; R174-C203 PolarHBondContact O-N 3.14Å; R174-E222 IonicContact CZ-OE1 2.7Å; R174-E222 IonicContact CZ-OE2 2.81Å; R174-E222 IonicContact NE-OE1 3.95Å; R174-E222 PolarHBondContact NE-OE1 3.1Å; R174-E222 IonicContact NE-OE2 2.74Å; R174-E222 PolarHBondContact NE-OE2 3.06Å; R174-E222 IonicContact NH2-OE1 3.26Å; R174-E222 IonicContact NH2-OE2 3.16Å; R174-E222 PolarHBondContact NH2-OE2 3.24Å
175K81.4Confident85.6Confident30 Ų3081.2 Ų81.213%0.1339%0.39CS..EExtended strand (participates in β ladder)trans-78.3138.4171.6-59.8-174.6176.9-172.90109.2S177 E178 M199K175-S177 VanDerWaalsContact C-N 3.35Å; K175-E178 HydrophobicContact CB-CB 4.14Å; K175-E178 HydrophobicContact CD-CB 3.78Å; K175-E178 HydrophobicContact CD-CG 4.02Å; K175-E178 VanDerWaalsContact CD-OE1 3.31Å; K175-E178 WeakPolarHBondContact CD-OE1 3.28Å; K175-E178 WeakPolarHBondContact CD-OE2 3.11Å; K175-E178 IonicContact NZ-OE1 2.67Å; K175-E178 PolarHBondContact NZ-OE1 3.2Å; K175-E178 IonicContact NZ-OE2 3.67Å; K175-E178 PolarHBondContact NZ-OE2 3.06Å; K175-M199 HydrophobicContact CD-CE 3.89Å; K175-M199 VanDerWaalsContact CE-CE 3.5Å; K175-M199 HydrophobicContact CG-CE 3.69Å; K175-M199 HydrophobicContact CG-SD 3.94Å
176F73Confident85.9Confident144 Ų14476 Ų7663%0.63237%0.368SS*.SBendtrans-79.2-18.8174.3-159.9-92.1000113.2K201F176-K201 HydrophobicContact CB-CB 4.39Å; F176-K201 HydrophobicContact CD2-CD 4.35Å; F176-K201 HydrophobicContact CG-CD 4.45Å
177S66.4Low86Confident116 Ų11678.2 Ų78.281%0.81138%0.378SS*.SBendtrans-111.40.5-171.7-170.50000115K175K175-S177 VanDerWaalsContact C-N 3.35Å
178E61.7Low85.9Confident103 Ų10382.7 Ų82.748%0.48140%0.401SS..SBendtrans-140.6140.3-178.4-69.6174.1-127.100109.5K175 K180K175-E178 HydrophobicContact CB-CB 4.14Å; K175-E178 HydrophobicContact CD-CB 3.78Å; K175-E178 HydrophobicContact CD-CG 4.02Å; K175-E178 VanDerWaalsContact CD-OE1 3.31Å; K175-E178 WeakPolarHBondContact CD-OE1 3.28Å; K175-E178 WeakPolarHBondContact CD-OE2 3.11Å; K175-E178 IonicContact NZ-OE1 2.67Å; K175-E178 PolarHBondContact NZ-OE1 3.2Å; K175-E178 IonicContact NZ-OE2 3.67Å; K175-E178 PolarHBondContact NZ-OE2 3.06Å; E178-K180 PolarHBondContact O-N 2.96Å
179Q60.1Low85.8Confident210 Ų21083.4 Ų83.498%0.98140%0.403SS*.SBendtrans-71.8-8.4-178.9-87.2171.2-40.600115
180K73.8Confident85.8Confident167 Ų16787.9 Ų87.973%0.72643%0.428SS*.  trans-105.8109.8-177.7-166.4167.9-175.2173.60111.7E178E178-K180 PolarHBondContact O-N 2.96Å
181N83.9Confident85.7Confident74 Ų7482.4 Ų82.440%0.39641%0.407SS..  trans-64.2147.3169.7-61.3-25.2000110.6R174R174-N181 WeakPolarHBondContact CA-OD1 3.41Å; R174-N181 WeakPolarHBondContact CG-OD1 3.43Å
182I87.6Confident85.6Confident45 Ų4586.1 Ų86.123%0.23143%0.43CS..EExtended strand (participates in β ladder)trans-102.3115.9172.3-67.2172.5000108I173 K184 P196I173-I182 HydrophobicContact CB-CB 4.49Å; I173-I182 PolarHBondContact N-O 3.47Å; I173-I182 PolarHBondContact O-N 3.2Å; I182-K184 HydrophobicContact CG2-CG 4.23Å; I182-P196 HydrophobicContact CD1-CB 3.99Å; I182-P196 HydrophobicContact CD1-CG 3.74Å
183T91.8Very high85.5Confident80 Ų8087 Ų8749%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-93.8136.5168.9-49.90000109.7R170 V171R170-T183 HydrophobicContact CB-CG2 4.46Å; V171-T183 CarbonylContact O-C 3.59Å; V171-T183 WeakPolarHBondContact O-CA 3.47Å
184K92.8Very high85.3Confident111 Ų11193.6 Ų93.648%0.48347%0.465SS..EExtended strand (participates in β ladder)trans-128.1155.4170.6-70.8-66.7-172.6171.30109.4R170 V171 I182 L193R170-K184 CarbonylContact C-O 3.57Å; R170-K184 WeakPolarHBondContact CA-O 3.44Å; V171-K184 PolarHBondContact N-O 2.93Å; V171-K184 PolarHBondContact O-N 2.75Å; I182-K184 HydrophobicContact CG2-CG 4.23Å; K184-L193 HydrophobicContact CB-CD1 4.1Å; K184-L193 HydrophobicContact CB-CD2 4.11Å; K184-L193 HydrophobicContact CG-CD1 4.36Å; K184-L193 HydrophobicContact CG-CD2 4.15Å
185T94.9Very high84.8Confident89 Ų8990.2 Ų90.255%0.54645%0.454SS..EExtended strand (participates in β ladder)trans-109.9136175.3-52.90000107.7I168 Y169I168-T185 HydrophobicContact CG2-CG2 3.27Å; Y169-T185 WeakPolarHBondContact O-CA 3.08Å
186V94.9Very high84.5Confident18 Ų1890.2 Ų90.211%0.10946%0.457CS..EExtended strand (participates in β ladder)trans-135.2143.5173.9-53.60000109.4I145 Y169 V171 F191 L193I145-V186 HydrophobicContact CD1-CG2 4.36Å; Y169-V186 PolarHBondContact N-O 2.85Å; Y169-V186 PolarHBondContact O-N 2.78Å; V171-V186 HydrophobicContact CG2-CG1 4.15Å; V171-V186 HydrophobicContact CG2-CG2 3.78Å; V186-F191 HydrophobicContact CB-CB 3.97Å; V186-F191 HydrophobicContact CG1-CB 3.84Å; V186-F191 HydrophobicContact CG1-CG 4.2Å; V186-F191 HydrophobicContact CG2-CB 3.95Å; V186-F191 HydrophobicContact CG2-CD1 3.95Å; V186-F191 HydrophobicContact CG2-CG 4.11Å; V186-L193 HydrophobicContact CG1-CD2 4.26Å
187E93.4Very high84.3Confident156 Ų15692.5 Ų92.573%0.72947%0.467SS*.SBendtrans-100.8-1.5-174-68.3160.8-150.300112.9
188Q92.1Very high84.2Confident136 Ų13699.1 Ų99.164%0.63647%0.474SS*.SBendtrans-128.4147.3-176.7-67.2-178.6-8.600110.2N190Q188-N190 VanDerWaalsContact C-N 3.27Å; Q188-N190 WeakPolarHBondContact CB-O 3.43Å; Q188-N190 PolarHBondContact O-N 3.07Å
189E94.1Very high84.7Confident39 Ų3995.2 Ų95.218%0.18246%0.456CS..SBendtrans-65.9-32.9178.4-61.277.7-173.100111.1T144 I145 P147 R167 Y169T144-E189 CarbonylContact C-O 3.58Å; T144-E189 WeakPolarHBondContact CA-O 3.44Å; I145-E189 HydrophobicContact CB-CB 4.38Å; I145-E189 WeakPolarHBondContact CB-O 3.43Å; I145-E189 WeakPolarHBondContact CG1-O 3.35Å; I145-E189 PolarHBondContact N-O 2.75Å; P147-E189 HydrophobicContact CG-CG 4.32Å; R167-E189 IonicContact CZ-OE1 2.85Å; R167-E189 IonicContact NE-OE1 2.7Å; R167-E189 PolarHBondContact NE-OE1 3.18Å; R167-E189 IonicContact NH2-OE1 3.47Å; R167-E189 PolarHBondContact NH2-OE1 2.7Å; R167-E189 IonicContact NH2-OE2 2.9Å; Y169-E189 HydrophobicContact CE2-CG 4.1Å
190N95.8Very high85.5Confident97 Ų9794.3 Ų94.352%0.51944%0.444SS..EExtended strand (participates in β ladder)trans-94.6123.9166.1-70.7-64.5000109.7G143 T144 Q188G143-N190 CarbonylContact O-C 3.54Å; G143-N190 WeakPolarHBondContact O-CA 3.41Å; T144-N190 WeakPolarHBondContact CB-OD1 2.97Å; T144-N190 WeakPolarHBondContact CG2-OD1 3.01Å; T144-N190 PolarHBondContact OG1-OD1 3.42Å; Q188-N190 VanDerWaalsContact C-N 3.27Å; Q188-N190 WeakPolarHBondContact CB-O 3.43Å; Q188-N190 PolarHBondContact O-N 3.07Å
191F94.4Very high86Confident13 Ų1389.7 Ų89.76%0.05742%0.424CS..EExtended strand (participates in β ladder)trans-133.4154.3-178.467.6-101.5000113I141 G143 I145 V171 V186 L193I141-F191 HydrophobicContact CG2-CE2 4.47Å; G143-F191 PolarHBondContact N-O 3.22Å; G143-F191 PolarHBondContact O-N 2.83Å; I145-F191 HydrophobicContact CD1-CD1 3.83Å; I145-F191 HydrophobicContact CD1-CE1 3.84Å; I145-F191 HydrophobicContact CG1-CD1 4.03Å; I145-F191 HydrophobicContact CG1-CE1 3.74Å; V171-F191 HydrophobicContact CG1-CE2 4.15Å; V171-F191 HydrophobicContact CG1-CZ 3.87Å; V171-F191 HydrophobicContact CG2-CD1 4.3Å; V171-F191 HydrophobicContact CG2-CE1 3.91Å; V171-F191 HydrophobicContact CG2-CE2 4.32Å; V171-F191 HydrophobicContact CG2-CZ 3.91Å; V186-F191 HydrophobicContact CB-CB 3.97Å; V186-F191 HydrophobicContact CG1-CB 3.84Å; V186-F191 HydrophobicContact CG1-CG 4.2Å; V186-F191 HydrophobicContact CG2-CB 3.95Å; V186-F191 HydrophobicContact CG2-CD1 3.95Å; V186-F191 HydrophobicContact CG2-CG 4.11Å; F191-L193 HydrophobicContact CD2-CD1 3.96Å; F191-L193 HydrophobicContact CD2-CG 3.91Å; F191-L193 HydrophobicContact CE2-CD1 3.86Å; F191-L193 HydrophobicContact CE2-CG 4.25Å
192T93.8Very high86.2Confident79 Ų7986.2 Ų86.249%0.48541%0.405SS..EExtended strand (participates in β ladder)trans-124.7130169.9-570000109.5F140 I141 Y142F140-T192 HydrophobicContact CB-CG2 4.02Å; F140-T192 HydrophobicContact CD1-CG2 3.89Å; F140-T192 HydrophobicContact CG-CG2 4.25Å; I141-T192 CarbonylContact O-C 3.43Å; I141-T192 WeakPolarHBondContact O-CA 3.46Å; Y142-T192 HydrophobicContact CD1-CG2 4.06Å; Y142-T192 WeakPolarHBondContact CD1-OG1 3.14Å; Y142-T192 HydrophobicContact CE1-CG2 3.78Å
193L91Very high86.4Confident25 Ų2584.1 Ų84.113%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-130.8143.1176.3-64.9173.1000110I141 V171 I173 K184 V186 F191 V195I141-L193 HydrophobicContact CB-CB 4.35Å; I141-L193 WeakPolarHBondContact CB-O 3.23Å; I141-L193 PolarHBondContact N-O 2.87Å; I141-L193 PolarHBondContact O-N 2.76Å; V171-L193 HydrophobicContact CB-CD1 4.23Å; V171-L193 HydrophobicContact CG1-CD1 3.97Å; I173-L193 HydrophobicContact CD1-CD1 4.21Å; K184-L193 HydrophobicContact CB-CD1 4.1Å; K184-L193 HydrophobicContact CB-CD2 4.11Å; K184-L193 HydrophobicContact CG-CD1 4.36Å; K184-L193 HydrophobicContact CG-CD2 4.15Å; V186-L193 HydrophobicContact CG1-CD2 4.26Å; F191-L193 HydrophobicContact CD2-CD1 3.96Å; F191-L193 HydrophobicContact CD2-CG 3.91Å; F191-L193 HydrophobicContact CE2-CD1 3.86Å; F191-L193 HydrophobicContact CE2-CG 4.25Å; L193-V195 PolarHBondContact O-N 2.02Å
194E86.7Confident86.4Confident141 Ų14180.4 Ų80.466%0.65937%0.372SS*.EExtended strand (participates in β ladder)trans-62.9134.6171.2-68.6-178.9-173.100111F140 P196F140-E194 HydrophobicContact CD1-CG 4.21Å; F140-E194 HydrophobicContact CE1-CG 3.76Å; E194-P196 WeakPolarHBondContact O-CD 3.43Å
195V78Confident86.5Confident21 Ų2177.7 Ų77.713%0.12736%0.36CS..  trans-67.1115.9167178.40000107.7V136 G139 I141 L193 K197 M199 F202V136-V195 HydrophobicContact CG1-CG2 3.88Å; G139-V195 VanDerWaalsContact O-CB 3.27Å; G139-V195 WeakPolarHBondContact O-CB 3.45Å; G139-V195 VanDerWaalsContact O-CG2 3.31Å; G139-V195 WeakPolarHBondContact O-CG2 3.21Å; G139-V195 PolarHBondContact O-N 3.09Å; I141-V195 HydrophobicContact CD1-CG2 4.23Å; I141-V195 HydrophobicContact CG1-CB 4.38Å; I141-V195 HydrophobicContact CG1-CG2 3.48Å; I141-V195 VanDerWaalsContact CG1-CG2 3.48Å; L193-V195 PolarHBondContact O-N 2.02Å; V195-K197 PolarHBondContact O-N 2.81Å; V195-M199 HydrophobicContact CG1-CB 4.09Å; V195-F202 HydrophobicContact CG1-CE1 4.38Å
196P73.5Confident86.6Confident30 Ų3073.5 Ų73.520%0.19533%0.334CS..  trans-65.8134.1-177.2-16.529.7000110.3I182 E194 M199I182-P196 HydrophobicContact CD1-CB 3.99Å; I182-P196 HydrophobicContact CD1-CG 3.74Å; E194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-M199 HydrophobicContact CB-CE 3.47Å; P196-M199 VanDerWaalsContact CB-CE 3.47Å; P196-M199 HydrophobicContact CG-CE 3.57Å; P196-M199 PolarHBondContact O-N 2.89Å
197K68.6Low86.7Confident193 Ų19374.2 Ų74.284%0.83934%0.337SS*.THydrogen-bonded Turntrans-53.7139.1-164-62.4175.8-177.2175.40112.4V195V195-K197 PolarHBondContact O-N 2.81Å
198R66.2Low86.9Confident254 Ų25466.8 Ų66.896%0.95830%0.302SS*.THydrogen-bonded Turntrans77.85.8-177.4-51.2177.7175.8174.2-1.8117.4R200R198-R200 PolarHBondContact O-N 2.82Å
199M72.3Confident87Confident21 Ų2163.5 Ų63.510%0.10329%0.287CS..  trans-73.2116.2177.2-129.3162.8-68.700113I173 K175 V195 P196 F202I173-M199 HydrophobicContact CG2-SD 4.16Å; K175-M199 HydrophobicContact CD-CE 3.89Å; K175-M199 VanDerWaalsContact CE-CE 3.5Å; K175-M199 HydrophobicContact CG-CE 3.69Å; K175-M199 HydrophobicContact CG-SD 3.94Å; V195-M199 HydrophobicContact CG1-CB 4.09Å; P196-M199 HydrophobicContact CB-CE 3.47Å; P196-M199 VanDerWaalsContact CB-CE 3.47Å; P196-M199 HydrophobicContact CG-CE 3.57Å; P196-M199 PolarHBondContact O-N 2.89Å; M199-F202 HydrophobicContact CB-CD1 4.3Å; M199-F202 HydrophobicContact CG-CB 3.94Å; M199-F202 HydrophobicContact CG-CD1 4.08Å; M199-F202 HydrophobicContact CG-CG 4.47Å; M199-F202 HydrophobicContact SD-CB 3.43Å; M199-F202 WeakPolarHBondContact SD-CB 3.49Å; M199-F202 HydrophobicContact SD-CD1 3.9Å; M199-F202 HydrophobicContact SD-CG 3.91Å
200R75.9Confident87Confident192 Ų19261.8 Ų61.873%0.72528%0.279SS*.SBendtrans-94.3-34.2170.2-70.2-172.8177.4-169.6-0.7113.7R198 H226 V227R198-R200 PolarHBondContact O-N 2.82Å; R200-H226 CarbonylContact O-C 3.44Å; R200-H226 WeakPolarHBondContact O-CA 3.4Å; R200-V227 PolarHBondContact O-N 2.83Å
201K85.3Confident86.9Confident70 Ų7063.4 Ų63.430%0.30428%0.283SS..EExtended strand (participates in β ladder)trans-137.8132.8174.4-174.5178.8-174.4151.10109.1F176 L225 H226F176-K201 HydrophobicContact CB-CB 4.39Å; F176-K201 HydrophobicContact CD2-CD 4.35Å; F176-K201 HydrophobicContact CG-CD 4.45Å; K201-L225 WeakPolarHBondContact CA-O 3.2Å; K201-H226 WeakPolarHBondContact CD-NE2 3.38Å; K201-H226 VanDerWaalsContact CE-NE2 3.3Å; K201-H226 WeakPolarHBondContact CE-NE2 3.14Å; K201-H226 PolarHBondContact NZ-NE2 2.94Å
202F87.5Confident86.7Confident0 Ų066.6 Ų66.60%031%0.307CS..EExtended strand (participates in β ladder)trans-145.4166.4173.164.8-98.6000110.2V136 I141 I173 R174 V195 M199 V204 C224 L225 V227V136-F202 HydrophobicContact CG2-CE1 4.1Å; V136-F202 HydrophobicContact CG2-CZ 3.66Å; I141-F202 HydrophobicContact CD1-CE1 4.33Å; I141-F202 HydrophobicContact CD1-CE2 3.85Å; I141-F202 HydrophobicContact CD1-CZ 3.68Å; I141-F202 HydrophobicContact CG1-CE2 4.42Å; I141-F202 HydrophobicContact CG1-CZ 3.88Å; I173-F202 HydrophobicContact CG2-CB 4.18Å; I173-F202 HydrophobicContact CG2-CD2 4.1Å; I173-F202 HydrophobicContact CG2-CG 4.32Å; R174-F202 WeakPolarHBondContact O-CA 3.23Å; V195-F202 HydrophobicContact CG1-CE1 4.38Å; M199-F202 HydrophobicContact CB-CD1 4.3Å; M199-F202 HydrophobicContact CG-CB 3.94Å; M199-F202 HydrophobicContact CG-CD1 4.08Å; M199-F202 HydrophobicContact CG-CG 4.47Å; M199-F202 HydrophobicContact SD-CB 3.43Å; M199-F202 WeakPolarHBondContact SD-CB 3.49Å; M199-F202 HydrophobicContact SD-CD1 3.9Å; M199-F202 HydrophobicContact SD-CG 3.91Å; F202-V204 HydrophobicContact CD2-CG2 3.72Å; F202-V204 HydrophobicContact CE2-CG2 3.54Å; F202-C224 WeakPolarHBondContact O-CA 3.5Å; F202-L225 HydrophobicContact CE2-CB 4.25Å; F202-L225 HydrophobicContact CE2-CD1 4.06Å; F202-L225 HydrophobicContact CZ-CB 4.26Å; F202-L225 HydrophobicContact CZ-CD1 4.17Å; F202-L225 PolarHBondContact N-O 2.95Å; F202-L225 VanDerWaalsContact N-O 3.1Å; F202-L225 PolarHBondContact O-N 3.22Å; F202-L225 VanDerWaalsContact O-O 3.09Å; F202-V227 HydrophobicContact CD1-CG2 4.03Å; F202-V227 HydrophobicContact CE1-CG2 3.54Å
203C90.9Very high86.6Confident2 Ų266.4 Ų66.41%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-130.8147.9171.6-44.50000110.4I173 R174 E222 Q223 C224I173-C203 CarbonylContact C-O 3.56Å; I173-C203 WeakPolarHBondContact CA-O 3.04Å; R174-C203 PolarHBondContact N-O 3.17Å; R174-C203 PolarHBondContact O-N 3.14Å; C203-E222 VanDerWaalsContact CB-CD 3.44Å; C203-E222 HydrophobicContact CB-CG 3.38Å; C203-Q223 CarbonylContact C-O 3.58Å; C203-Q223 WeakPolarHBondContact CA-O 3.44Å; C203-C224 HydrophobicContact CB-CB 3.94Å; C203-C224 WeakPolarHBondContact CB-SG 3.46Å; C203-C224 VanDerWaalsContact SG-CA 3.57Å; C203-C224 WeakPolarHBondContact SG-CB 3.39Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 3.26Å
204V92.4Very high86.7Confident1 Ų172.6 Ų72.61%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-120.1133.9-177.5-173.30000108.8V134 V171 C172 I173 F202 E222 Q223V134-V204 HydrophobicContact CG1-CG2 4.39Å; V134-V204 HydrophobicContact CG2-CB 4.26Å; V134-V204 HydrophobicContact CG2-CG1 4.31Å; V134-V204 HydrophobicContact CG2-CG2 4.48Å; V171-V204 HydrophobicContact CG1-CG1 3.6Å; C172-V204 WeakPolarHBondContact O-CA 3.31Å; I173-V204 HydrophobicContact CG1-CG2 4.47Å; F202-V204 HydrophobicContact CD2-CG2 3.72Å; F202-V204 HydrophobicContact CE2-CG2 3.54Å; V204-E222 WeakPolarHBondContact O-CA 3.29Å; V204-Q223 PolarHBondContact N-O 2.84Å; V204-Q223 PolarHBondContact O-N 2.84Å
205K94.9Very high87.1Confident55 Ų5566.4 Ų66.424%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-135.5151.3165.160.3172.6-164.6158.80110.1C172 W219 E222C172-K205 HydrophobicContact CB-CG 4.11Å; C172-K205 PolarHBondContact N-O 3.11Å; C172-K205 PolarHBondContact O-N 3.2Å; K205-W219 HydrophobicContact CB-CE3 4.19Å; K205-W219 HydrophobicContact CD-CB 4.14Å; K205-W219 HydrophobicContact CD-CD2 3.92Å; K205-W219 HydrophobicContact CD-CE3 3.7Å; K205-W219 HydrophobicContact CD-CG 4.12Å; K205-W219 HydrophobicContact CD-CZ3 4.48Å; K205-W219 HydrophobicContact CG-CD2 4.32Å; K205-W219 HydrophobicContact CG-CE3 3.59Å; K205-W219 HydrophobicContact CG-CZ3 4.07Å; K205-E222 HydrophobicContact CB-CB 4.33Å
206V96.9Very high88Confident0 Ų071.3 Ų71.30%032%0.32CS..EExtended strand (participates in β ladder)trans-121.7139.6-174.1179.40000109.5V129 V132 I145 Y169 R170 V171 S220V129-V206 HydrophobicContact CG2-CG1 4.4Å; V132-V206 HydrophobicContact CG1-CG2 4.06Å; V132-V206 HydrophobicContact CG2-CB 4.02Å; V132-V206 HydrophobicContact CG2-CG2 3.78Å; I145-V206 HydrophobicContact CD1-CG1 3.92Å; I145-V206 HydrophobicContact CG1-CG1 4.35Å; I145-V206 HydrophobicContact CG1-CG2 4.42Å; Y169-V206 HydrophobicContact CD1-CG1 4.03Å; Y169-V206 HydrophobicContact CG-CG1 4.42Å; R170-V206 WeakPolarHBondContact O-CA 3.31Å; V171-V206 HydrophobicContact CG1-CG2 4.45Å; V171-V206 HydrophobicContact CG2-CG2 4.26Å; V206-S220 PolarHBondContact N-OG 3.41Å; V206-S220 PolarHBondContact O-N 2.84Å
207M96.8Very high89.1Confident33 Ų3371.5 Ų71.516%0.16333%0.325CS..EExtended strand (participates in β ladder)trans-119.7121.1169.2-176.6177.371.900108.5R170 A217 W219R170-M207 HydrophobicContact CB-CB 4.41Å; R170-M207 HydrophobicContact CB-CE 4.43Å; R170-M207 PolarHBondContact N-O 2.74Å; R170-M207 PolarHBondContact O-N 2.94Å; M207-A217 HydrophobicContact CG-CB 3.78Å; M207-A217 HydrophobicContact SD-CB 4.36Å; M207-W219 HydrophobicContact CB-CD2 3.78Å; M207-W219 HydrophobicContact CB-CE3 3.64Å; M207-W219 HydrophobicContact CB-CG 4.42Å; M207-W219 HydrophobicContact CB-CH2 4Å; M207-W219 HydrophobicContact CB-CZ2 4.12Å; M207-W219 HydrophobicContact CB-CZ3 3.76Å; M207-W219 HydrophobicContact CE-CZ2 4.2Å; M207-W219 HydrophobicContact SD-CD2 4.44Å; M207-W219 HydrophobicContact SD-CZ2 4.07Å
208P97.1Very high90.4Very high1 Ų165.7 Ų65.71%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-73.8158176.933.2-35.7000111.1L127 V129 I168 Y169 A217 E218L127-P208 HydrophobicContact CB-CB 4.22Å; L127-P208 HydrophobicContact CB-CG 3.7Å; V129-P208 HydrophobicContact CG2-CB 4.11Å; V129-P208 HydrophobicContact CG2-CG 4.09Å; I168-P208 CarbonylContact O-C 3.58Å; Y169-P208 HydrophobicContact CD1-CB 4Å; Y169-P208 HydrophobicContact CE1-CB 3.94Å; P208-A217 HydrophobicContact CG-CB 4.42Å; P208-A217 WeakPolarHBondContact O-CB 3.42Å; P208-E218 WeakPolarHBondContact CD-O 3.37Å
209H95.1Very high91.9Very high67 Ų6758.3 Ų58.331%0.3127%0.273SS..EExtended strand (participates in β ladder)trans-153.4154.8174.9-176.351.4000108.7I168I168-H209 HydrophobicContact CB-CB 4.48Å; I168-H209 PolarHBondContact N-O 2.7Å; I168-H209 WeakPolarHBondContact O-CA 3.13Å; I168-H209 WeakPolarHBondContact O-CB 3.48Å; I168-H209 PolarHBondContact O-N 2.76Å; I168-H209 VanDerWaalsContact O-O 3.08Å
210V94.8Very high93Very high2 Ų257.9 Ų57.91%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-132.3109.1172.2174.80000106.2L127 F163 H166 R167 S212 R213L127-V210 HydrophobicContact CD1-CB 4.24Å; L127-V210 HydrophobicContact CD1-CG2 3.88Å; F163-V210 HydrophobicContact CB-CG2 4.11Å; F163-V210 HydrophobicContact CD1-CG1 4.45Å; F163-V210 HydrophobicContact CD1-CG2 3.94Å; F163-V210 HydrophobicContact CG-CG2 4.14Å; H166-V210 WeakPolarHBondContact O-CA 3.39Å; R167-V210 HydrophobicContact CG-CG2 4.42Å; V210-S212 PolarHBondContact O-N 2.81Å; V210-R213 HydrophobicContact CB-CB 4.49Å; V210-R213 HydrophobicContact CG1-CB 4.39Å; V210-R213 HydrophobicContact CG1-CG 4.13Å; V210-R213 PolarHBondContact O-N 2.84Å; V210-R213 VanDerWaalsContact O-O 3.06Å
211E92.3Very high93.9Very high131 Ų13157.2 Ų57.261%0.61228%0.277SS*.THydrogen-bonded Turntrans-62.8-29.3-166.6-168.1173.1-117.200113H166 I168 R213H166-E211 HydrophobicContact CB-CB 4.07Å; H166-E211 PolarHBondContact O-N 2.95Å; I168-E211 HydrophobicContact CD1-CB 3.98Å; E211-R213 PolarHBondContact O-N 2.97Å
212S90.6Very high94.3Very high81 Ų8157.2 Ų57.257%0.56628%0.278SS*.THydrogen-bonded Turntrans-75.83.3175.559.80000114.6V210V210-S212 PolarHBondContact O-N 2.81Å
213R91.9Very high94.5Very high75 Ų7560.4 Ų60.428%0.28329%0.293SS..SBendtrans-138.4155.8-177.6-62-171.7177.7-90.95.4113.6D123 V210 E211 N215D123-R213 IonicContact OD1-CZ 3.88Å; D123-R213 IonicContact OD1-NH1 3.35Å; D123-R213 PolarHBondContact OD1-NH1 2.83Å; V210-R213 HydrophobicContact CB-CB 4.49Å; V210-R213 HydrophobicContact CG1-CB 4.39Å; V210-R213 HydrophobicContact CG1-CG 4.13Å; V210-R213 PolarHBondContact O-N 2.84Å; V210-R213 VanDerWaalsContact O-O 3.06Å; E211-R213 PolarHBondContact O-N 2.97Å; R213-N215 VanDerWaalsContact C-N 3.34Å; R213-N215 WeakPolarHBondContact CB-OD1 3.43Å; R213-N215 WeakPolarHBondContact CD-OD1 3.47Å
214I93.3Very high94.5Very high154 Ų15463.2 Ų63.279%0.7931%0.311SS*.  trans-94.319.8178.862.5171.5000113.6D123D123-I214 HydrophobicContact CB-CG1 4.27Å
215N95.4Very high94.1Very high11 Ų1165 Ų656%0.05932%0.321CS..  trans-57139.8-177.9-72.593.8000112.4V122 D123 V125 L127 R213V122-N215 PolarHBondContact O-ND2 2.79Å; D123-N215 PolarHBondContact O-ND2 3.36Å; V125-N215 PolarHBondContact O-ND2 2.82Å; L127-N215 HydrophobicContact CD1-CB 3.72Å; L127-N215 HydrophobicContact CD2-CB 4.41Å; L127-N215 HydrophobicContact CG-CB 3.69Å; R213-N215 VanDerWaalsContact C-N 3.34Å; R213-N215 WeakPolarHBondContact CB-OD1 3.43Å; R213-N215 WeakPolarHBondContact CD-OD1 3.47Å
216K95.9Very high93.5Very high125 Ų12568.5 Ų68.554%0.54334%0.338SS..  trans-66.9153.9163-63.9159.8-170.1146.40108.9E124 I126 L127E124-K216 IonicContact OE2-NZ 3.73Å; E124-K216 PolarHBondContact OE2-NZ 2.84Å; I126-K216 WeakPolarHBondContact CA-O 3.14Å; I126-K216 HydrophobicContact CG1-CB 4.33Å; L127-K216 PolarHBondContact N-O 3.5Å
217A96.6Very high92.5Very high34 Ų3470 Ų7028%0.28135%0.347SS..BIsolated β-bridgetrans-140.6148.4177.800000111.6L127 M207 P208L127-A217 HydrophobicContact CB-CB 4.17Å; L127-A217 WeakPolarHBondContact O-CA 3.4Å; M207-A217 HydrophobicContact CG-CB 3.78Å; M207-A217 HydrophobicContact SD-CB 4.36Å; P208-A217 HydrophobicContact CG-CB 4.42Å; P208-A217 WeakPolarHBondContact O-CB 3.42Å
218E96.8Very high91.1Very high70 Ų7073.3 Ų73.333%0.32737%0.369SS..  trans-106.8157174-74.3167.1161.300110.8R37 I126 L127 T128 P208R37-E218 IonicContact CZ-OE1 3.65Å; R37-E218 IonicContact CZ-OE2 2.71Å; R37-E218 IonicContact NE-OE1 3.51Å; R37-E218 IonicContact NE-OE2 3.12Å; R37-E218 PolarHBondContact NE-OE2 2.91Å; R37-E218 IonicContact NH2-OE1 2.73Å; R37-E218 PolarHBondContact NH2-OE1 3.42Å; R37-E218 IonicContact NH2-OE2 2.75Å; R37-E218 PolarHBondContact NH2-OE2 2.87Å; I126-E218 HydrophobicContact CG2-CB 4.31Å; I126-E218 HydrophobicContact CG2-CG 3.66Å; L127-E218 PolarHBondContact O-N 3.11Å; T128-E218 HydrophobicContact CG2-CB 4.26Å; T128-E218 WeakPolarHBondContact CG2-OE2 3.08Å; P208-E218 WeakPolarHBondContact CD-O 3.37Å
219W96.7Very high89.3Confident100 Ų10077.3 Ų77.338%0.37939%0.394SS..PPolyproline II helixtrans-80139.4170.1-70.791.7000109.8R170 C172 K205 M207R170-W219 WeakPolarHBondContact O-CZ3 3.4Å; C172-W219 HydrophobicContact CB-CE3 4.39Å; C172-W219 HydrophobicContact CB-CH2 3.62Å; C172-W219 HydrophobicContact CB-CZ3 3.43Å; C172-W219 VanDerWaalsContact CB-CZ3 3.43Å; K205-W219 HydrophobicContact CB-CE3 4.19Å; K205-W219 HydrophobicContact CD-CB 4.14Å; K205-W219 HydrophobicContact CD-CD2 3.92Å; K205-W219 HydrophobicContact CD-CE3 3.7Å; K205-W219 HydrophobicContact CD-CG 4.12Å; K205-W219 HydrophobicContact CD-CZ3 4.48Å; K205-W219 HydrophobicContact CG-CD2 4.32Å; K205-W219 HydrophobicContact CG-CE3 3.59Å; K205-W219 HydrophobicContact CG-CZ3 4.07Å; M207-W219 HydrophobicContact CB-CD2 3.78Å; M207-W219 HydrophobicContact CB-CE3 3.64Å; M207-W219 HydrophobicContact CB-CG 4.42Å; M207-W219 HydrophobicContact CB-CH2 4Å; M207-W219 HydrophobicContact CB-CZ2 4.12Å; M207-W219 HydrophobicContact CB-CZ3 3.76Å; M207-W219 HydrophobicContact CE-CZ2 4.2Å; M207-W219 HydrophobicContact SD-CD2 4.44Å; M207-W219 HydrophobicContact SD-CZ2 4.07Å
220S97Very high87.3Confident11 Ų1180.9 Ų80.98%0.07741%0.41CS..PPolyproline II helixtrans-56.3163.9164.776.10000111.3V206V206-S220 PolarHBondContact N-OG 3.41Å; V206-S220 PolarHBondContact O-N 2.84Å
221E94.7Very high85.3Confident179 Ų17987.3 Ų87.384%0.83644%0.44SS*.PPolyproline II helixtrans-54153.1161-60.3-159.6151.900111.3
222E92.6Very high83.4Confident70 Ų7089.5 Ų89.533%0.32744%0.444SS..  trans-95.5108-174.4178.8176.1-120.600111R174 C203 V204 K205 C224R174-E222 IonicContact CZ-OE1 2.7Å; R174-E222 IonicContact CZ-OE2 2.81Å; R174-E222 IonicContact NE-OE1 3.95Å; R174-E222 PolarHBondContact NE-OE1 3.1Å; R174-E222 IonicContact NE-OE2 2.74Å; R174-E222 PolarHBondContact NE-OE2 3.06Å; R174-E222 IonicContact NH2-OE1 3.26Å; R174-E222 IonicContact NH2-OE2 3.16Å; R174-E222 PolarHBondContact NH2-OE2 3.24Å; C203-E222 VanDerWaalsContact CB-CD 3.44Å; C203-E222 HydrophobicContact CB-CG 3.38Å; V204-E222 WeakPolarHBondContact O-CA 3.29Å; K205-E222 HydrophobicContact CB-CB 4.33Å; E222-C224 PolarHBondContact O-N 2.92Å
223Q92.1Very high81.6Confident67 Ų6793.1 Ų93.131%0.31345%0.45SS..EExtended strand (participates in β ladder)trans-86109.8177.8-170169.279.900110.6V132 V134 C203 V204V132-Q223 VanDerWaalsContact O-CD 3.3Å; V132-Q223 PolarHBondContact O-NE2 3.13Å; V132-Q223 PolarHBondContact O-OE1 2.93Å; V134-Q223 VanDerWaalsContact CB-OE1 3.3Å; C203-Q223 CarbonylContact C-O 3.58Å; C203-Q223 WeakPolarHBondContact CA-O 3.44Å; V204-Q223 PolarHBondContact N-O 2.84Å; V204-Q223 PolarHBondContact O-N 2.84Å
224C90.1Very high80.1Confident60 Ų6094 Ų9441%0.40546%0.463SS..EExtended strand (participates in β ladder)trans-89.6131177.7-69.50000112.5F202 C203 E222F202-C224 WeakPolarHBondContact O-CA 3.5Å; C203-C224 HydrophobicContact CB-CB 3.94Å; C203-C224 WeakPolarHBondContact CB-SG 3.46Å; C203-C224 VanDerWaalsContact SG-CA 3.57Å; C203-C224 WeakPolarHBondContact SG-CB 3.39Å; C203-C224 CovalentContact SG-SG 2.04Å; C203-C224 PolarHBondContact SG-SG 3.26Å; E222-C224 PolarHBondContact O-N 2.92Å
225L85.8Confident78.8Confident39 Ų3992 Ų9220%0.20446%0.458CS..EExtended strand (participates in β ladder)trans-122.7148-179.8-73.5167.1000111.8V134 V136 K201 F202V134-L225 HydrophobicContact CB-CD1 3.69Å; V134-L225 HydrophobicContact CG1-CD1 3.46Å; V134-L225 VanDerWaalsContact CG1-CD1 3.46Å; V136-L225 HydrophobicContact CG2-CD1 4.16Å; K201-L225 WeakPolarHBondContact CA-O 3.2Å; F202-L225 HydrophobicContact CE2-CB 4.25Å; F202-L225 HydrophobicContact CE2-CD1 4.06Å; F202-L225 HydrophobicContact CZ-CB 4.26Å; F202-L225 HydrophobicContact CZ-CD1 4.17Å; F202-L225 PolarHBondContact N-O 2.95Å; F202-L225 VanDerWaalsContact N-O 3.1Å; F202-L225 PolarHBondContact O-N 3.22Å; F202-L225 VanDerWaalsContact O-O 3.09Å
226H81.4Confident77.6Confident128 Ų12894.7 Ų94.759%0.59348%0.475SS*.EExtended strand (participates in β ladder)trans-110.2127.5170.1-72.5-114.9000108.8R200 K201 T228R200-H226 CarbonylContact O-C 3.44Å; R200-H226 WeakPolarHBondContact O-CA 3.4Å; K201-H226 WeakPolarHBondContact CD-NE2 3.38Å; K201-H226 VanDerWaalsContact CE-NE2 3.3Å; K201-H226 WeakPolarHBondContact CE-NE2 3.14Å; K201-H226 PolarHBondContact NZ-NE2 2.94Å; H226-T228 PolarHBondContact O-N 3.3Å
227V76.8Confident76.5Confident32 Ų3291.7 Ų91.719%0.19447%0.465CS..  trans-89.799.8174.5-174.10000108V136 R200 F202 T229V136-V227 HydrophobicContact CG1-CG1 4.34Å; V136-V227 HydrophobicContact CG1-CG2 4.31Å; R200-V227 PolarHBondContact O-N 2.83Å; F202-V227 HydrophobicContact CD1-CG2 4.03Å; F202-V227 HydrophobicContact CE1-CG2 3.54Å; V227-T229 PolarHBondContact O-N 2.86Å
228T66.3Low75.7Confident102 Ų10294.8 Ų94.863%0.62648%0.476SS*.  trans-65.6122.9162.543.90000108.2H226 E230H226-T228 PolarHBondContact O-N 3.3Å; T228-E230 PolarHBondContact O-N 3.44Å
229T58.4Low75.1Confident86 Ų8694.5 Ų94.553%0.52848%0.482SS..  trans-80.477.1178.1-50.30000109.6V227 H231V227-T229 PolarHBondContact O-N 2.86Å; T229-H231 PolarHBondContact O-N 3.23Å
230E54.6Low74.6Confident142 Ų14294.9 Ų94.966%0.66449%0.491SS*.  trans-64.130178.1-71.8-62.5141.300114.4T228T228-E230 PolarHBondContact O-N 3.44Å
231H52.6Low74.2Confident136 Ų136100.3 Ų100.363%0.6351%0.513SS*.  trans-124.529-174.2-78.614.7000113.2T229 F233T229-H231 PolarHBondContact O-N 3.23Å; H231-F233 VanDerWaalsContact C-N 3.26Å
232Y51.6Low73.9Confident178 Ų17897.3 Ų97.370%0.69850%0.497SS*.  trans-82.7-3.6161.5-76.5-81.6000113.2T234 T236Y232-T234 PolarHBondContact O-N 2.96Å; Y232-T236 PolarHBondContact O-OG1 2.67Å
233F52.8Low73.9Confident157 Ų15798.9 Ų98.969%0.68951%0.507SS*.THydrogen-bonded Turntrans-79.3-10.3-171.6-138.7-98.1000115.1H231 N237H231-F233 VanDerWaalsContact C-N 3.26Å; F233-N237 WeakPolarHBondContact CD1-ND2 3.42Å; F233-N237 WeakPolarHBondContact CE1-ND2 3.47Å; F233-N237 WeakPolarHBondContact O-CB 3.44Å; F233-N237 PolarHBondContact O-ND2 3.11Å
234T60.5Low73.9Confident92 Ų9298.8 Ų98.856%0.56451%0.514SS*.THydrogen-bonded Turntrans-87.8-59.8177.751.30000112Y232 T236 N237 L238Y232-T234 PolarHBondContact O-N 2.96Å; T234-T236 PolarHBondContact O-N 3.1Å; T234-N237 PolarHBondContact O-N 2.93Å; T234-L238 WeakPolarHBondContact O-CB 3.36Å; T234-L238 PolarHBondContact O-N 3.44Å
235V65.7Low74.1Confident112 Ų11299.4 Ų99.468%0.67951%0.513SS*.Hα-helixtrans-64.2-38.8-172.6-177.40000112.4S239V235-S239 VanDerWaalsContact O-CB 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.45Å; V235-S239 PolarHBondContact O-N 2.75Å
236T70.7Confident74.5Confident68 Ų68103.5 Ų103.542%0.41753%0.534SS..Hα-helixtrans-66.9-50.4178.351.70000111.5Y232 T234 S239 I240Y232-T236 PolarHBondContact O-OG1 2.67Å; T234-T236 PolarHBondContact O-N 3.1Å; T236-S239 WeakPolarHBondContact O-CB 3.28Å; T236-S239 PolarHBondContact O-N 2.64Å; T236-I240 WeakPolarHBondContact O-CG1 3.43Å; T236-I240 PolarHBondContact O-N 3.08Å
237N71.8Confident75.2Confident63 Ų63103.2 Ų103.234%0.33754%0.536SS..Hα-helixtrans-68.4-34.6178.6-71.1-64000113F233 T234 I240 F241F233-N237 WeakPolarHBondContact CD1-ND2 3.42Å; F233-N237 WeakPolarHBondContact CE1-ND2 3.47Å; F233-N237 WeakPolarHBondContact O-CB 3.44Å; F233-N237 PolarHBondContact O-ND2 3.11Å; T234-N237 PolarHBondContact O-N 2.93Å; N237-I240 PolarHBondContact O-N 2.89Å; N237-F241 WeakPolarHBondContact O-CB 3.31Å; N237-F241 PolarHBondContact O-N 2.93Å
238L81.4Confident76Confident98 Ų98106.7 Ų106.751%0.51355%0.553SS.*Hα-helixtrans-60.5-46.1169.2-11265.4000111T234 I240 F241 F242T234-L238 WeakPolarHBondContact O-CB 3.36Å; T234-L238 PolarHBondContact O-N 3.44Å; L238-I240 PolarHBondContact O-N 2.84Å; L238-F241 PolarHBondContact O-N 2.8Å; L238-F242 HydrophobicContact CB-CD2 4.36Å; L238-F242 HydrophobicContact CB-CE2 4.21Å; L238-F242 HydrophobicContact CD2-CE2 4.09Å; L238-F242 HydrophobicContact CG-CE2 3.92Å; L238-F242 WeakPolarHBondContact O-CD2 3.25Å; L238-F242 WeakPolarHBondContact O-CG 3.37Å; L238-F242 PolarHBondContact O-N 2.9Å
239S83.6Confident77.3Confident65 Ų65105 Ų10546%0.45554%0.544SS..Hα-helixtrans-59.9-46.4178.1-172.20000111.8V235 T236 F241 F242 L243V235-S239 VanDerWaalsContact O-CB 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.45Å; V235-S239 PolarHBondContact O-N 2.75Å; T236-S239 WeakPolarHBondContact O-CB 3.28Å; T236-S239 PolarHBondContact O-N 2.64Å; S239-F241 PolarHBondContact O-N 2.9Å; S239-F242 PolarHBondContact O-N 3.11Å; S239-L243 WeakPolarHBondContact O-CB 3.32Å; S239-L243 WeakPolarHBondContact O-CD1 3.35Å; S239-L243 PolarHBondContact O-N 3.22Å
240I87.1Confident78.9Confident108 Ų108102.6 Ų102.655%0.55454%0.537SS*.Hα-helixtrans-62.7-42.3176.4-67.2163.2000111.2T236 N237 L238 L243 S244T236-I240 WeakPolarHBondContact O-CG1 3.43Å; T236-I240 PolarHBondContact O-N 3.08Å; N237-I240 PolarHBondContact O-N 2.89Å; L238-I240 PolarHBondContact O-N 2.84Å; I240-L243 PolarHBondContact O-N 3.06Å; I240-S244 WeakPolarHBondContact O-CB 3.35Å; I240-S244 PolarHBondContact O-N 2.99Å
241F87.1Confident80.8Confident124 Ų12498.2 Ų98.254%0.54452%0.524SS..Hα-helixtrans-63.9-44.7177.1-177.2-110000112.1N237 L238 S239 S244 I245N237-F241 WeakPolarHBondContact O-CB 3.31Å; N237-F241 PolarHBondContact O-N 2.93Å; L238-F241 PolarHBondContact O-N 2.8Å; S239-F241 PolarHBondContact O-N 2.9Å; F241-S244 WeakPolarHBondContact O-CB 3.25Å; F241-S244 PolarHBondContact O-N 2.57Å; F241-I245 HydrophobicContact CD1-CD1 3.83Å; F241-I245 HydrophobicContact CE1-CD1 3.5Å; F241-I245 HydrophobicContact CE2-CD1 4.27Å; F241-I245 HydrophobicContact CG-CD1 4.35Å; F241-I245 HydrophobicContact CZ-CD1 3.75Å; F241-I245 WeakPolarHBondContact O-CG1 3.29Å; F241-I245 PolarHBondContact O-N 2.73Å
242F89.7Confident82.7Confident117 Ų11796.3 Ų96.351%0.51352%0.518SS..Hα-helixtrans-65.8-40.2174.8-72.4-57000112.5L238 S239 I245 L246L238-F242 HydrophobicContact CB-CD2 4.36Å; L238-F242 HydrophobicContact CB-CE2 4.21Å; L238-F242 HydrophobicContact CD2-CE2 4.09Å; L238-F242 HydrophobicContact CG-CE2 3.92Å; L238-F242 WeakPolarHBondContact O-CD2 3.25Å; L238-F242 WeakPolarHBondContact O-CG 3.37Å; L238-F242 PolarHBondContact O-N 2.9Å; S239-F242 PolarHBondContact O-N 3.11Å; F242-I245 PolarHBondContact O-N 3.36Å; F242-L246 VanDerWaalsContact O-CG 3.31Å; F242-L246 WeakPolarHBondContact O-CG 3.47Å; F242-L246 PolarHBondContact O-N 3.21Å
243L92.4Very high84.6Confident102 Ų10292.1 Ų92.153%0.53451%0.511SS..Hα-helixtrans-60.7-44.3172.3-104.271.5000111.7S239 I240 I245 L246 I247S239-L243 WeakPolarHBondContact O-CB 3.32Å; S239-L243 WeakPolarHBondContact O-CD1 3.35Å; S239-L243 PolarHBondContact O-N 3.22Å; I240-L243 PolarHBondContact O-N 3.06Å; L243-I245 PolarHBondContact O-N 3.1Å; L243-L246 PolarHBondContact O-N 3.35Å; L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 2.74Å
244S91.8Very high86.3Confident66 Ų6688 Ų8846%0.46250%0.502SS..Hα-helixtrans-59.4-46.7177.8-175.70000111.6I240 F241 L246 I247 L248I240-S244 WeakPolarHBondContact O-CB 3.35Å; I240-S244 PolarHBondContact O-N 2.99Å; F241-S244 WeakPolarHBondContact O-CB 3.25Å; F241-S244 PolarHBondContact O-N 2.57Å; S244-L246 PolarHBondContact O-N 3.12Å; S244-I247 PolarHBondContact O-N 3.38Å; S244-L248 WeakPolarHBondContact O-CB 3.47Å; S244-L248 PolarHBondContact O-N 2.86Å
245I94.1Very high87.7Confident73 Ų7389 Ų8937%0.37450%0.502SS..Hα-helixtrans-60.7-45175.6-70.1166.9000111.3F241 F242 L243 I247 L248 C249F241-I245 HydrophobicContact CD1-CD1 3.83Å; F241-I245 HydrophobicContact CE1-CD1 3.5Å; F241-I245 HydrophobicContact CE2-CD1 4.27Å; F241-I245 HydrophobicContact CG-CD1 4.35Å; F241-I245 HydrophobicContact CZ-CD1 3.75Å; F241-I245 WeakPolarHBondContact O-CG1 3.29Å; F241-I245 PolarHBondContact O-N 2.73Å; F242-I245 PolarHBondContact O-N 3.36Å; L243-I245 PolarHBondContact O-N 3.1Å; I245-I247 PolarHBondContact O-N 3.01Å; I245-L248 PolarHBondContact O-N 3.21Å; I245-C249 WeakPolarHBondContact O-CB 3.36Å; I245-C249 PolarHBondContact O-N 3.12Å; I245-C249 PolarHBondContact O-SG 3.18Å; I245-C249 VanDerWaalsContact O-SG 3.34Å
246L94.4Very high88.7Confident124 Ų12488.1 Ų88.165%0.64950%0.497SS*.Hα-helixtrans-62.3-42.5179.1-73.4169000112.3F242 L243 S244 G250F242-L246 VanDerWaalsContact O-CG 3.31Å; F242-L246 WeakPolarHBondContact O-CG 3.47Å; F242-L246 PolarHBondContact O-N 3.21Å; L243-L246 PolarHBondContact O-N 3.35Å; S244-L246 PolarHBondContact O-N 3.12Å; L246-G250 PolarHBondContact O-N 3.34Å
247I95Very high89.3Confident123 Ų12389.3 Ų89.363%0.63150%0.501SS*.Hα-helixtrans-63.6-43.7175.8-68.1163.9000110.6L243 S244 I245 G250 A251L243-I247 VanDerWaalsContact O-CG1 3.29Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 2.74Å; S244-I247 PolarHBondContact O-N 3.38Å; I245-I247 PolarHBondContact O-N 3.01Å; I247-G250 PolarHBondContact O-N 3.42Å; I247-A251 WeakPolarHBondContact O-CB 3.5Å; I247-A251 PolarHBondContact O-N 2.68Å
248L94.5Very high89.9Confident105 Ų10590.4 Ų90.455%0.5551%0.506SS..Hα-helixtrans-69-40-178-159.6147.6000111.8S244 I245 A251 L252S244-L248 WeakPolarHBondContact O-CB 3.47Å; S244-L248 PolarHBondContact O-N 2.86Å; I245-L248 PolarHBondContact O-N 3.21Å; L248-A251 PolarHBondContact O-N 3.35Å; L248-L252 HydrophobicContact CD2-CD1 3.82Å; L248-L252 HydrophobicContact CD2-CG 4.35Å; L248-L252 WeakPolarHBondContact O-CG 3.25Å; L248-L252 PolarHBondContact O-N 3.3Å
249C93.3Very high89.9Confident66 Ų6694 Ų9445%0.44651%0.513SS..Hα-helixtrans-61.7-43.4169.9-72.90000112.2I245 L252 V253I245-C249 WeakPolarHBondContact O-CB 3.36Å; I245-C249 PolarHBondContact O-N 3.12Å; I245-C249 PolarHBondContact O-SG 3.18Å; I245-C249 VanDerWaalsContact O-SG 3.34Å; C249-L252 PolarHBondContact O-N 3.37Å; C249-V253 WeakPolarHBondContact O-CG2 3.3Å; C249-V253 PolarHBondContact O-N 3.45Å
250G93.3Very high89.7Confident36 Ų3699.2 Ų99.237%0.37152%0.524SS..Hα-helixtrans-60.9-44175.200000112.6L246 I247 L252 V253 C254L246-G250 PolarHBondContact O-N 3.34Å; I247-G250 PolarHBondContact O-N 3.42Å; G250-L252 PolarHBondContact O-N 3.44Å; G250-V253 PolarHBondContact O-N 3.11Å; G250-C254 PolarHBondContact O-N 2.72Å; G250-C254 PolarHBondContact O-SG 2.77Å
251A93Very high89.4Confident49 Ų4999.9 Ų99.941%0.40553%0.527SS..Hα-helixtrans-61.1-43.5175.300000112.1I247 L248 C254 L255I247-A251 WeakPolarHBondContact O-CB 3.5Å; I247-A251 PolarHBondContact O-N 2.68Å; L248-A251 PolarHBondContact O-N 3.35Å; A251-C254 PolarHBondContact O-N 2.61Å; A251-L255 WeakPolarHBondContact O-CB 3.38Å; A251-L255 VanDerWaalsContact O-CG 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.38Å; A251-L255 PolarHBondContact O-N 2.81Å
252L92.7Very high88.8Confident96 Ų96103.1 Ų103.150%0.50354%0.536SS..Hα-helixtrans-61.7-44.2175.9-73169.9000112.3L248 C249 G250 L255 V256L248-L252 HydrophobicContact CD2-CD1 3.82Å; L248-L252 HydrophobicContact CD2-CG 4.35Å; L248-L252 WeakPolarHBondContact O-CG 3.25Å; L248-L252 PolarHBondContact O-N 3.3Å; C249-L252 PolarHBondContact O-N 3.37Å; G250-L252 PolarHBondContact O-N 3.44Å; L252-L255 PolarHBondContact O-N 2.83Å; L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 3.11Å
253V92.4Very high87.6Confident90 Ų90103.2 Ų103.255%0.54554%0.538SS..Hα-helixtrans-62.5-43.3176.1171.40000111.2C249 G250 L255 V256 L257C249-V253 WeakPolarHBondContact O-CG2 3.3Å; C249-V253 PolarHBondContact O-N 3.45Å; G250-V253 PolarHBondContact O-N 3.11Å; V253-L255 PolarHBondContact O-N 3.11Å; V253-V256 PolarHBondContact O-N 3.42Å; V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 WeakPolarHBondContact O-CG 3.44Å; V253-L257 PolarHBondContact O-N 3.17Å
254C88.7Confident86Confident72 Ų72103.5 Ų103.549%0.48655%0.546SS..Hα-helixtrans-62.2-40.1174.3-74.10000112.6G250 A251 L257 L258G250-C254 PolarHBondContact O-N 2.72Å; G250-C254 PolarHBondContact O-SG 2.77Å; A251-C254 PolarHBondContact O-N 2.61Å; C254-L257 PolarHBondContact O-N 2.99Å; C254-L258 WeakPolarHBondContact O-CB 3.12Å; C254-L258 VanDerWaalsContact O-CG 3.23Å; C254-L258 WeakPolarHBondContact O-CG 3.29Å; C254-L258 PolarHBondContact O-N 3.32Å
255L88.5Confident84.7Confident111 Ų111103.4 Ų103.458%0.58156%0.555SS**Hα-helixtrans-65.5-41.3176-73.9169.2000112.1A251 L252 V253 L258 W259A251-L255 WeakPolarHBondContact O-CB 3.38Å; A251-L255 VanDerWaalsContact O-CG 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.38Å; A251-L255 PolarHBondContact O-N 2.81Å; L252-L255 PolarHBondContact O-N 2.83Å; V253-L255 PolarHBondContact O-N 3.11Å; L255-L258 PolarHBondContact O-N 3.35Å; L255-W259 VanDerWaalsContact O-CB 3.32Å; L255-W259 WeakPolarHBondContact O-CB 3.5Å; L255-W259 PolarHBondContact O-N 2.87Å
256V86.8Confident83.1Confident94 Ų94110.1 Ų110.157%0.5758%0.581SS**Hα-helixtrans-63.8-42.7174.8171.20000111.2L252 V253 W259 Y260L252-V256 WeakPolarHBondContact O-CG2 3.47Å; L252-V256 PolarHBondContact O-N 3.11Å; V253-V256 PolarHBondContact O-N 3.42Å; V256-W259 PolarHBondContact O-N 3.01Å; V256-Y260 WeakPolarHBondContact O-CB 3.21Å; V256-Y260 PolarHBondContact O-N 3.32Å
257L84.8Confident81.2Confident94 Ų94111.1 Ų111.149%0.49259%0.587SS.*Hα-helixtrans-62.9-45.1174.7-76.7164.7000112.1V253 C254 W259 Y260 I261V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 WeakPolarHBondContact O-CG 3.44Å; V253-L257 PolarHBondContact O-N 3.17Å; C254-L257 PolarHBondContact O-N 2.99Å; L257-W259 VanDerWaalsContact C-N 3.31Å; L257-W259 PolarHBondContact O-N 3.12Å; L257-Y260 PolarHBondContact O-N 3.42Å; L257-I261 WeakPolarHBondContact O-CB 3.19Å; L257-I261 WeakPolarHBondContact O-CD1 3.38Å; L257-I261 VanDerWaalsContact O-CG1 3.24Å; L257-I261 WeakPolarHBondContact O-CG1 3.43Å; L257-I261 PolarHBondContact O-N 2.75Å
258L83.8Confident79.1Confident85 Ų85109.8 Ų109.845%0.44559%0.586SS.*Hα-helixtrans-64.8-34.4176.6-73.8168.8000112.4C254 L255 R262C254-L258 WeakPolarHBondContact O-CB 3.12Å; C254-L258 VanDerWaalsContact O-CG 3.23Å; C254-L258 WeakPolarHBondContact O-CG 3.29Å; C254-L258 PolarHBondContact O-N 3.32Å; L255-L258 PolarHBondContact O-N 3.35Å; L258-R262 VanDerWaalsContact O-CB 3.3Å; L258-R262 WeakPolarHBondContact O-CB 3.42Å; L258-R262 VanDerWaalsContact O-CG 3.29Å; L258-R262 WeakPolarHBondContact O-CG 3.36Å; L258-R262 PolarHBondContact O-N 3.34Å
259W81.9Confident77.2Confident173 Ų173109.3 Ų109.366%0.65560%0.597SS**Hα-helixtrans-69.6-45.6174.1-173.165.7000111.5L255 V256 L257 I261 R262 H263L255-W259 VanDerWaalsContact O-CB 3.32Å; L255-W259 WeakPolarHBondContact O-CB 3.5Å; L255-W259 PolarHBondContact O-N 2.87Å; V256-W259 PolarHBondContact O-N 3.01Å; L257-W259 VanDerWaalsContact C-N 3.31Å; L257-W259 PolarHBondContact O-N 3.12Å; W259-I261 PolarHBondContact O-N 3.13Å; W259-R262 PolarHBondContact O-N 3.16Å; W259-H263 AromaticContact CD1-CD2 3.34Å; W259-H263 AromaticContact CD1-NE2 3.69Å; W259-H263 AromaticContact CE2-CD2 3.91Å; W259-H263 AromaticContact NE1-CD2 3.19Å; W259-H263 PolarHBondContact NE1-CD2 2.98Å; W259-H263 AromaticContact NE1-NE2 3.37Å; W259-H263 PolarHBondContact NE1-NE2 3.36Å; W259-H263 PolarHBondContact O-CD2 3.48Å; W259-H263 PolarHBondContact O-N 3.28Å
260Y79.4Confident75.4Confident176 Ų176112.3 Ų112.369%0.6961%0.613SS**Hα-helixtrans-59.4-42.9175.3-178.7-99.9000112.5V256 L257 H263V256-Y260 WeakPolarHBondContact O-CB 3.21Å; V256-Y260 PolarHBondContact O-N 3.32Å; L257-Y260 PolarHBondContact O-N 3.42Å; Y260-H263 CarbonylContact O-C 3.51Å; Y260-H263 PolarHBondContact O-N 3.49Å
261I79.8Confident73.4Confident121 Ų121116.2 Ų116.262%0.62163%0.625SS**Hα-helixtrans-69.3-34.2176.9-67.1165000111.7L257 W259L257-I261 WeakPolarHBondContact O-CB 3.19Å; L257-I261 WeakPolarHBondContact O-CD1 3.38Å; L257-I261 VanDerWaalsContact O-CG1 3.24Å; L257-I261 WeakPolarHBondContact O-CG1 3.43Å; L257-I261 PolarHBondContact O-N 2.75Å; W259-I261 PolarHBondContact O-N 3.13Å
262R75.2Confident71.2Confident193 Ų193119.8 Ų119.873%0.72864%0.641SS**Hα-helixtrans-79.5-20.2177.2-77.5177169.5155.2-1.7114.3L258 W259 P264L258-R262 VanDerWaalsContact O-CB 3.3Å; L258-R262 WeakPolarHBondContact O-CB 3.42Å; L258-R262 VanDerWaalsContact O-CG 3.29Å; L258-R262 WeakPolarHBondContact O-CG 3.36Å; L258-R262 PolarHBondContact O-N 3.34Å; W259-R262 PolarHBondContact O-N 3.16Å; R262-P264 VanDerWaalsContact O-CD 3.28Å; R262-P264 WeakPolarHBondContact O-CD 3.43Å
263H63.3Low69.1Low119 Ų119124 Ų12455%0.55166%0.656SS**SBendtrans-116.671.5175.1-68.7-83.6000111.3W259 Y260 G265W259-H263 AromaticContact CD1-CD2 3.34Å; W259-H263 AromaticContact CD1-NE2 3.69Å; W259-H263 AromaticContact CE2-CD2 3.91Å; W259-H263 AromaticContact NE1-CD2 3.19Å; W259-H263 PolarHBondContact NE1-CD2 2.98Å; W259-H263 AromaticContact NE1-NE2 3.37Å; W259-H263 PolarHBondContact NE1-NE2 3.36Å; W259-H263 PolarHBondContact O-CD2 3.48Å; W259-H263 PolarHBondContact O-N 3.28Å; Y260-H263 CarbonylContact O-C 3.51Å; Y260-H263 PolarHBondContact O-N 3.49Å; H263-G265 PolarHBondContact O-N 3.3Å
264P59.1Low66.7Low108 Ų108128.5 Ų128.570%0.70167%0.671SS**  trans-59.1112.9169.126.6-33.6000109.2R262R262-P264 VanDerWaalsContact O-CD 3.28Å; R262-P264 WeakPolarHBondContact O-CD 3.43Å
265G63.7Low64.5Low64 Ų64132 Ų13266%0.6668%0.678SS**  trans-58.9143.2176.700000111H263 L267H263-G265 PolarHBondContact O-N 3.3Å; G265-L267 PolarHBondContact O-N 3.36Å
266K61Low62.3Low214 Ų214131.6 Ų131.693%0.9368%0.682SS**  trans-59.5114.2174-72.8-175.8177.4-1800109.1
267L55.3Low60.2Low145 Ų145132.4 Ų132.476%0.75969%0.689SS**  trans-56.8139.4175.1-70.9166.7000110.1G265G265-L267 PolarHBondContact O-N 3.36Å
268P51.5Low57.9Low95 Ų95134.2 Ų134.262%0.61770%0.699SS**  trans-62.7141.2173.927-33.7000110V270P268-V270 PolarHBondContact O-N 3.34Å
269A54.3Low55.9Low94 Ų94139.9 Ų139.978%0.77772%0.721SS**THydrogen-bonded Turntrans-71.124.1-168.200000115.8
270V54.8Low53.6Low129 Ų129139.2 Ų139.278%0.78273%0.729SS**THydrogen-bonded Turntrans-93.5-17.9-179.7-178.80000111.9P268P268-V270 PolarHBondContact O-N 3.34Å
271L50.7Low51.5Low119 Ų119138.8 Ų138.862%0.62374%0.738SS**  trans-102.237.5178.2-61.1-179.4000113.2F273L271-F273 VanDerWaalsContact C-N 3.33Å; L271-F273 HydrophobicContact CD2-CE2 4.2Å; L271-F273 PolarHBondContact O-N 3.42Å; L271-F273 VanDerWaalsContact O-N 3.1Å
272V46.9Very low49.1Very low123 Ų123137.3 Ų137.375%0.74574%0.744SS**  trans-76.989.5163.8-177.80000107.7E274V272-E274 PolarHBondContact O-N 3.34Å
273F48.3Very low47.2Very low184 Ų184135.6 Ų135.681%0.80775%0.749SS**PPolyproline II helixtrans-69.6120.1171.2-84.2-83.9000110L271L271-F273 VanDerWaalsContact C-N 3.33Å; L271-F273 HydrophobicContact CD2-CE2 4.2Å; L271-F273 PolarHBondContact O-N 3.42Å; L271-F273 VanDerWaalsContact O-N 3.1Å
274E42.9Very low46.2Very low185 Ų185135 Ų13586%0.86476%0.756SS**PPolyproline II helixtrans-64.7135.5176.1-169167.8-145.700110.4V272 P276V272-E274 PolarHBondContact O-N 3.34Å; E274-P276 WeakPolarHBondContact O-CD 3.3Å
275K41.4Very low44.4Very low146 Ų146139.9 Ų139.964%0.63576%0.76SS**PPolyproline II helixtrans-73.6121.7-174-167.6-159.6176.9-140.20109.7D278K275-D278 IonicContact NZ-OD1 3.67Å; K275-D278 PolarHBondContact NZ-OD1 3.12Å; K275-D278 VanDerWaalsContact NZ-OD1 3.1Å; K275-D278 IonicContact NZ-OD2 3.27Å; K275-D278 PolarHBondContact NZ-OD2 3Å
276P42.7Very low42.5Very low102 Ų102142.3 Ų142.366%0.66277%0.765SS**PPolyproline II helixtrans-64.9144.3173.627.7-34000110.7E274E274-P276 WeakPolarHBondContact O-CD 3.3Å
277P43.2Very low41.7Very low112 Ų112137 Ų13773%0.72775%0.753SS**PPolyproline II helixtrans-72.6142.9-177.629.4-34.8000112.2
278D37.2Very low40.3Very low131 Ų131138 Ų13870%0.70175%0.754SS**PPolyproline II helixtrans-72.6128.6-174-51.7-87.5000112K275K275-D278 IonicContact NZ-OD1 3.67Å; K275-D278 PolarHBondContact NZ-OD1 3.12Å; K275-D278 VanDerWaalsContact NZ-OD1 3.1Å; K275-D278 IonicContact NZ-OD2 3.27Å; K275-D278 PolarHBondContact NZ-OD2 3Å
279F40.4Very low39.4Very low204 Ų204139.4 Ų139.490%0.89576%0.761SS**  trans-108.1134.8164.7-90.4-83000110.6
280L34.9Very low38.4Very low159 Ų159141.8 Ų141.883%0.83276%0.76SS**  trans-63.2134.2-172.1-58.3173.4000111.5
281L34.1Very low37.3Very low167 Ų167143 Ų14387%0.87476%0.762SS**  71.47959.4-168.284.5000114.7
282A30.9Very low36.5Very low91 Ų91143.3 Ų143.375%0.75276%0.764SS**  trans-162.3115.2142.800000108.1
283N34.3Very low35.7Very low157 Ų157143.2 Ų143.284%0.8476%0.758SS**  60.4144.785.4-105.9-13.8000114.6
284P41.7Very low34.8Very low105 Ų105142.4 Ų142.468%0.68276%0.757SS**  cis-143.9169.525.644.9-26.9000119
285R22.1Very low34.3Very low212 Ų212140.1 Ų140.180%0.875%0.749SS**  trans49.3113.4132.9-177.3-173.9-74.4157.3-6.3120.8
286C25Very low33.7Very low114 Ų114139.8 Ų139.877%0.7775%0.753SS**  34.6165123.1-45.70000122.3
287P43.3Very low33.1Very low102 Ų102141.1 Ų141.166%0.66276%0.755SS**  cis-135-170.6-4.239-18.3000115.1
288E26.6Very low32.7Very low167 Ų167144.1 Ų144.178%0.7876%0.764SS**  trans44.5123.6140.2-73.6167.1136.900124.1
289T32.6Very low32.5Very low125 Ų125145.7 Ų145.777%0.76777%0.767SS**  trans48.9119.4137.8630000121.5
290L32.1Very low32.2Very low144 Ų144140.5 Ų140.575%0.75476%0.761SS**  -155.6146.2107.5-141.976.7000111.3D292L290-D292 HydrophobicContact CD2-CB 4.48Å
291D33.1Very low32.5Very low154 Ų154142.3 Ų142.382%0.82476%0.763SS**  trans-87.5127.9150.5-89.6-53.4000107.5
292D33.5Very low32.5Very low125 Ų125139.8 Ų139.867%0.66876%0.757SS**  trans-158.2106.6151.2-102.8-29.5000106.2L290L290-D292 HydrophobicContact CD2-CB 4.48Å
293I29.7Very low32.4Very low122 Ų122144.9 Ų144.963%0.62676%0.762SS**  84.9131.870.7-77.4-177.4000112.5
294H29.4Very low32.1Very low167 Ų167143.7 Ų143.777%0.77376%0.76SS**  trans71.1147.7165.8-70.2-15.4000117.4
295I31.2Very low31.7Very low136 Ų136143 Ų14370%0.69776%0.758SS**  cis-152.8-178.9-9.6-126.6162.5000110.6
296L30.5Very low32.3Very low140 Ų140139.1 Ų139.173%0.73376%0.76SS**  trans-56.6167.3167.8-58.288.5000111.2
297D29Very low32.6Very low129 Ų129141.6 Ų141.669%0.6976%0.76SS**  cis-158.2170.425.4-153.3-17.8000110.9
298L35Very low31.9Very low175 Ų175143.2 Ų143.292%0.91676%0.762SS**  trans-132.849.5172.5-156.180.7000112.8
299E32.5Very low32.2Very low165 Ų165143 Ų14377%0.77176%0.759SS**  trans-106.1108.6172.3-169177.2-10800111.9
300A34.3Very low32.2Very low94 Ų94143.1 Ų143.178%0.77776%0.755SS**  trans-17097.8158.100000111.9
301F41.3Very low32.2Very low197 Ų197141.1 Ų141.186%0.86475%0.753SS**  trans-74166.7164.9-69.1-93.3000111.2
302P35.5Very low32.1Very low115 Ų115140.2 Ų140.275%0.74775%0.748SS**  -147.5165.2113.738.2-24.1000116.8
303K28.2Very low32.3Very low198 Ų198140.8 Ų140.886%0.86175%0.75SS**  trans83.195.1157.7-76.5175.8177.5178.90121.1
304V28.6Very low32.7Very low132 Ų132143.6 Ų143.680%0.876%0.76SS**  -36.4150.2129.6-153.60000110.4
305S32.3Very low32.8Very low91 Ų91139 Ų13964%0.63676%0.759SS**  cis-153.1-179.644.1-43.80000114
306P35.2Very low33.4Very low129 Ų129137.1 Ų137.184%0.83876%0.758SS**  -120.8158.394.136.9-35.9000114.3
307E31.6Very low34.1Very low166 Ų166137.1 Ų137.178%0.77676%0.764SS**  trans-75.9167.6169.8-60.8176.6115.700109.9
308L27.4Very low34.6Very low136 Ų136137.6 Ų137.671%0.71277%0.766SS**  cis-163.5151.434.5-167.396.2000112.2
309K32.4Very low35.1Very low164 Ų164134.2 Ų134.271%0.71376%0.757SS**  trans82.1112161.8-76.9-162.4164.9-161.60123
310D33Very low35.5Very low126 Ų126129.2 Ų129.267%0.67475%0.75SS**  70.8116.2119.8-51.2-12.4000122.2
311S32.2Very low35.6Very low103 Ų103135.7 Ų135.772%0.7276%0.761SS**  trans7698.7139.5-77.40000123.1
312D32.5Very low35.2Very low135 Ų135129.4 Ų129.472%0.72275%0.752SS**  99.1131.8105.8-76.3-53.1000124
313L35.8Very low35.3Very low136 Ų136130.6 Ų130.671%0.71276%0.763SS**  trans73.2103.6150-89.1108.6000124.5
314H39.1Very low35.3Very low181 Ų181124.5 Ų124.584%0.83876%0.756SS**  trans67.1148.9132.5-76.9-122.6000121.5
315G31.9Very low36Very low72 Ų72128.1 Ų128.174%0.74276%0.761SS**  trans179.4-33.1171.600000120.9
316S43.7Very low36.7Very low96 Ų96129.1 Ų129.167%0.67177%0.766SS**  trans46.1129.4159.5-49.80000123.5
317T44.7Very low36.7Very low140 Ų140127.7 Ų127.786%0.85976%0.758SS**  trans69.8150.4134.6510000121.6
318D40.6Very low36.6Very low138 Ų138127 Ų12774%0.73876%0.759SS**  cis-168.2163.5-9.4169.353.2000112
319S44.9Very low36.8Very low104 Ų104128.5 Ų128.573%0.72776%0.762SS**  trans46.9153.7158.359.70000123.6
320G39.8Very low36.6Very low61 Ų61125.9 Ų125.963%0.62976%0.76SS**  cis165143.9-12.500000115.5
321F36.8Very low36.3Very low230 Ų230127.7 Ų127.7100%1.00977%0.765SS**  trans61.1151.2169.8-65.2-91.8000119.3
322G32.6Very low36.3Very low65 Ų65131.2 Ų131.267%0.6777%0.77SS**  cis168.6170.1-9.600000114.7
323S37.4Very low36.3Very low140 Ų140129.1 Ų129.198%0.97977%0.766SS**  trans77.9151.3167.4-156.70000120.8
324G29.6Very low36.2Very low69 Ų69130.4 Ų130.471%0.71177%0.768SS**  trans126.695.8153.500000120.6
325K42.3Very low35.6Very low209 Ų209129.5 Ų129.591%0.90976%0.762SS**  trans-154.9155.5157-95.6-174.1-178.3179.40106.9
326P47.8Very low35.3Very low112 Ų112136 Ų13673%0.72777%0.77SS**  cis-156-177.148.544.3-21.9000119.3
327S34.5Very low34.7Very low98 Ų98137.6 Ų137.669%0.68577%0.771SS**  trans27.1139.8143.664.20000125.8
328L28.8Very low33.7Very low151 Ų151139.2 Ų139.279%0.79177%0.773SS**  -176.4143.6121.2-87.3156.7000106.5
329Q32.6Very low33Very low168 Ų168138.7 Ų138.779%0.78577%0.771SS**  cis72.4137.440.4-72.9-169.3-22.300114.3
330T27.6Very low32.3Very low109 Ų109138.3 Ų138.367%0.66977%0.768SS**  cis-157.4167.6-11.4-70.80000107
331E27.4Very low31.7Very low165 Ų165143.7 Ų143.777%0.77178%0.776SS**  146.4119.2105.5-156155.9149.600107.4
332E32.2Very low31.3Very low176 Ų176136.3 Ų136.382%0.82276%0.758SS**  49.7145.9102.5-65.5-166.4174.200117.3
333S32.3Very low31.1Very low91 Ų91141.7 Ų141.764%0.63677%0.765SS**  cis-160.6-166.9-10.743.70000108.1
334Q33.3Very low30.6Very low163 Ų163142 Ų14276%0.76276%0.755SS**  cis-158.5-175.426.5-71.7-166.49.300113.7
335F26.8Very low30.5Very low163 Ų163146.1 Ų146.172%0.71576%0.755SS**  trans-20.3155.3162-63.7-71.9000121.4
336F26.8Very low29.7Very low207 Ų207143.2 Ų143.291%0.90875%0.745SS**  cis-136.4161.849.4-92.2-94.5000117.8
337L29.4Very low28.7Very low131 Ų131144 Ų14469%0.68675%0.748SS**  trans-109.2157.9168.5-86.4166000111.1
338L25.2Very low28.3Very low174 Ų174147.9 Ų147.991%0.91176%0.76SS**  trans-151.2113.7142.9-154.869.6000113.1
339D25.6Very low28.1Very low127 Ų127143.5 Ų143.568%0.67975%0.751SS**  trans-68.4172.7162.1-76.3-68.8000111.8
340S29.1Very low27.9Very low96 Ų96144 Ų14467%0.67175%0.751SS**  cis-172.3-177.4-16.554.40000107.3
341H27.7Very low27.9Very low174 Ų174146.4 Ų146.481%0.80675%0.754SS**  150.5161.1120.5-148.8-90000112.7
342A29Very low27.8Very low75 Ų75142.1 Ų142.162%0.6275%0.754SS**  trans-138.7161.8-175.900000113.6
343Q27.5Very low27.6Very low177 Ų177139.1 Ų139.183%0.82775%0.753SS**  trans-171.4146.9153.6-98.9172.9-10.600106.7
344I27.8Very low27.2Very low148 Ų148139.3 Ų139.376%0.75975%0.754SS**  cis112.5120.515.5-72.6169.5000113.2
345Q26.6Very low27.1Very low155 Ų155139.4 Ų139.472%0.72476%0.755SS**  trans89.893.8152.6-143.7156.57.300123.4
346E25Very low27.1Very low147 Ų147138.2 Ų138.269%0.68776%0.755SS**  72.6133.7108.9-144.5179.2-170.800125
347T28.3Very low27.2Very low128 Ų128135.9 Ų135.979%0.78575%0.747SS**  trans77.5155.3148.332.50000125.4
348L25.4Very low27.2Very low180 Ų180135 Ų13594%0.94274%0.743SS**  trans82.9131.2169.7-153.674.4000116.5
349G25.1Very low27.3Very low59 Ų59133.2 Ų133.261%0.60874%0.74SS**  cis160.7156.2-10.100000112.9
350K28.5Very low27.5Very low178 Ų178133.1 Ų133.177%0.77475%0.748SS**  trans65.9161.3178.8-82.8178.5165.4-80.30115.3
351E26.4Very low27.5Very low160 Ų160131.8 Ų131.875%0.74875%0.749SS**  cis-179.4149.2-15.1175.9163-107.100107.1
352G25.7Very low27.8Very low75 Ų75130 Ų13077%0.77375%0.745SS**  cis-157.2-149.63.300000112
353S27.5Very low28Very low114 Ų114132.1 Ų132.180%0.79775%0.746SS**  trans-127.8159.8-162.556.40000116
354S25.8Very low28.3Very low94 Ų94129.9 Ų129.966%0.65774%0.744SS**  trans168.2131.6138.5-89.60000109.4
355E29.2Very low28.6Very low166 Ų166129.7 Ų129.778%0.77675%0.745SS**  68.914071.9-65.8179.812400113.6
356L28.8Very low29.2Very low137 Ų137127.6 Ų127.672%0.71775%0.747SS**  cis-156.8172.4-3.5-151.679.7000109.7
357Q28.1Very low29.5Very low158 Ų158124.4 Ų124.474%0.73875%0.754SS**  145.5111.8127.3-173.4121.872.100114.4
358D28.3Very low30.2Very low112 Ų112126.2 Ų126.260%0.59976%0.757SS**  trans22.3141.7137.9-35.4-41.6000120
359T27.9Very low30.4Very low138 Ų138123.7 Ų123.785%0.84775%0.753SS**  -160.5166.454.8-50.60000112.5
360C29.6Very low30.9Very low125 Ų125128.9 Ų128.985%0.84577%0.766SS**  trans-91.6159.1-161.9-45.30000117.8
361G28.9Very low30.9Very low67 Ų67129.3 Ų129.369%0.69177%0.771SS**  trans95.4159.5137.500000118.8
362D34.2Very low31.1Very low138 Ų138130.7 Ų130.774%0.73878%0.777SS**  cis-166.8152.8-17.7-128.823.8000110.8
363N33.8Very low31.2Very low119 Ų119131.7 Ų131.764%0.63677%0.773SS**  trans49.2100.8153.5-57.8-36.6000119.8
364T34.7Very low31.2Very low129 Ų129131 Ų13179%0.79177%0.767SS**  82.2134.181.6590000118.1
365D33.2Very low31.4Very low145 Ų145133.7 Ų133.778%0.77577%0.774SS**  trans110.3135.2137.6-153.219.4000120.7
366S39.3Very low31.4Very low110 Ų110133.4 Ų133.477%0.76977%0.772SS**  trans44.2136.1154.8-72.90000123.5
367G31.8Very low31.4Very low80 Ų80132.1 Ų132.183%0.82578%0.775SS**  trans165.683.7160.500000116.6
368I42.4Very low31.4Very low166 Ų166129.7 Ų129.785%0.85178%0.775SS**  trans-90.2130.8159.9-68.4174.3000108.4
369C28.9Very low31.3Very low128 Ų128133 Ų13387%0.86579%0.789SS**  trans-145.2131.6158.6-87.40000110.9
370L35.9Very low31.3Very low168 Ų168129.3 Ų129.388%0.8878%0.779SS**  trans-83.4142.7161-69.2162.6000108.4
371Q27.9Very low31.7Very low187 Ų187129.6 Ų129.687%0.87478%0.779SS**  trans-153.5128.1155.7-159.6153.2-9.400113.6
372E30.6Very low32.1Very low188 Ų188132.2 Ų132.288%0.87978%0.784SS**  trans-128.4121.4165.7176.9176.4-153.800107.5
373S28.8Very low31.7Very low97 Ų97138 Ų13868%0.67880%0.795SS**  trans-172.4100.5165.4-81.40000112.3
374S27.9Very low31.4Very low98 Ų98141.7 Ų141.769%0.68581%0.805SS**  trans32.8127.8131.626.20000122.7
375L29.3Very low31.2Very low152 Ų152144.5 Ų144.580%0.79681%0.81SS**  trans76.6144.2149-53.9163.4000116.8
376H29.6Very low30.8Very low160 Ų160146.5 Ų146.574%0.74182%0.815SS**  cis-1581468.5-139.2-50.9000114.1
377S27.9Very low30.2Very low109 Ų109150.8 Ų150.876%0.76282%0.82SS**  trans84.3153.2143.7-1480000122.8
378S27.8Very low30Very low107 Ų107149.4 Ų149.475%0.74881%0.805SS**  trans73.6124167.4-154.80000117.4
379M28.1Very low29.3Very low183 Ų183152.1 Ų152.190%0.90181%0.807SS**  cis-151.4156.7-3.9-107.8-114.8-71.100109.4
380G27.9Very low29.3Very low60 Ų60151.5 Ų151.562%0.61980%0.799SS**  trans-158.4143.5172.200000112.6
381P37.3Very low29Very low131 Ų131151.5 Ų151.585%0.85179%0.794SS**  trans-82.1144.2-176.132.6-34.5000112.6
382P36.8Very low29.2Very low122 Ų122150.2 Ų150.279%0.79279%0.788SS**  trans-94.6155.8-178.936.8-34.7000113.1
383W25.7Very low29.1Very low260 Ų260146.2 Ų146.299%0.98577%0.772SS**  trans-122.8132.9154.6-140.1-58.2000109.1
384K28.5Very low29.4Very low195 Ų195148.8 Ų148.885%0.84877%0.774SS**  trans-130.7148.4173.2-119.7-176.5-179-178.10110.5
385Q29.1Very low29.5Very low188 Ų188150.5 Ų150.588%0.87978%0.775SS**  trans-80145.2-177.4-16617515.500110.7
386Q25.3Very low29.7Very low188 Ų188149.8 Ų149.888%0.87977%0.772SS**  trans-138.1146-177.1-167.1166.1-7.300111.2
387F26.7Very low30.1Very low200 Ų200146.7 Ų146.788%0.87777%0.768SS**  trans-112.7149.8-178.1-107.4-88.6000110.6
388G27.1Very low30.3Very low51 Ų51148.1 Ų148.153%0.52677%0.768SS.*  trans133.7101.8144.300000118.9
389Y28.6Very low30.5Very low223 Ų223149.4 Ų149.488%0.87577%0.765SS**  trans61.8163.5144.1-46-74.3000117.8
390T28.4Very low30.8Very low114 Ų114146 Ų14670%0.69976%0.755SS**  cis-158.6130.422.8-42.40000112
391H30.7Very low31Very low169 Ų169150.4 Ų150.478%0.78276%0.759SS**  trans60.7164.1158.9-76.8-118.6000117.6
392Q30.7Very low30.5Very low159 Ų159150.5 Ų150.574%0.74375%0.753SS**  cis-156.8144.730.7-171.9166.4-6.700113.9
393D29.9Very low30.3Very low104 Ų104150 Ų15056%0.55675%0.752SS**  trans38.3148.5149.2-52-10.3000121
394Q33.7Very low31.6Very low152 Ų152143.9 Ų143.971%0.7175%0.746SS**  cis-159.3179.1-0.1-110.2167.7-101.400104.7
395D31Very low31.6Very low133 Ų133138.3 Ų138.371%0.71174%0.744SS**  cis-165.9-170.12.5-105.4-20.2000104.1
396D33.4Very low31.6Very low138 Ų138137.5 Ų137.574%0.73874%0.74SS**  cis-175.4157.1-41.8-172.748.2000103.7
397S37.7Very low32.8Very low94 Ų94134.2 Ų134.266%0.65774%0.735SS**  cis-143.5-170.711.5-22.40000107.9
398D32.3Very low33Very low139 Ų139133.1 Ų133.174%0.74373%0.729SS**  cis-162.1-171.3-7.2179.228.3000106.6
399L31.6Very low33Very low134 Ų134139.1 Ų139.170%0.70274%0.743SS**  trans95.576.9143-139.169.7000118.6
400V33.8Very low33Very low113 Ų113133.6 Ų133.669%0.68573%0.733SS**  70.7130.9116.2154.30000117.7
401Q32.6Very low33.1Very low152 Ų152136 Ų13671%0.7174%0.736SS**  cis-161.7159.920.2-135.9175.819.500115.5
402N27.1Very low32.9Very low132 Ų132134.8 Ų134.871%0.70674%0.736SS**  trans74.4133.8147.9-69.7-26.1000123.7
403S32.3Very low32.8Very low111 Ų111131.1 Ų131.178%0.77674%0.74SS**  trans-131.4-152159.8-49.90000105.6
404P53.1Low32.7Very low132 Ų132132 Ų13286%0.85776%0.755SS**  cis-123.6-161.6-17.544.1-26.4000110.6
405G27.8Very low32.5Very low79 Ų79129 Ų12981%0.81476%0.756SS**  cis-178.1-1668.600000114.3
406H29.9Very low32.4Very low171 Ų171131.3 Ų131.379%0.79277%0.767SS**  trans-133.8166.3-176.5-162.9-5.8000108.9
407P49.9Very low32.1Very low118 Ų118128.3 Ų128.377%0.76677%0.769SS**  -152-175.8111.438.4-19.4000117
408K30.7Very low31.5Very low177 Ų177133.6 Ų133.677%0.7778%0.783SS**  trans-89.5163.9-164.7-49.5162.7178.3175.10115.9
409H27.7Very low31.2Very low177 Ų177130.7 Ų130.782%0.81979%0.786SS**  -170.9126.7124.5-109.6-92.1000106.5
410T29.5Very low30.9Very low108 Ų108130 Ų13066%0.66379%0.791SS**  74.3104.950.6-51.30000114
411Q29.3Very low30.5Very low163 Ų163132.2 Ų132.276%0.76280%0.798SS**  173.1144.8115.5-170.6157-1.600114.2
412D27.8Very low30.2Very low145 Ų145133 Ų13378%0.77581%0.806SS**  trans17.8150.7159.5-47.8-23000124.4
413G27.5Very low30Very low81 Ų81135 Ų13584%0.83581%0.811SS**  trans160.4111.7157.800000116.2
414S29Very low30.5Very low123 Ų123134.6 Ų134.686%0.8681%0.806SS**  trans-92.2138.8-177.5-65.80000115.3
415A29.1Very low29.1Very low88 Ų88137.4 Ų137.473%0.72781%0.808SS**  trans66.4146.4138.200000123.1
416L28.5Very low29.4Very low183 Ų183140 Ų14096%0.95881%0.807SS**  trans57.2113.5148.5-80.3160.5000120.4
417G26.2Very low30Very low74 Ų74136.6 Ų136.676%0.76380%0.801SS**  trans174.1110.3158.300000113.9
418H26.9Very low28.9Very low205 Ų205139.4 Ų139.495%0.94980%0.804SS**  trans-95.7136.8157.7-77.942.3000108.2
419G25.7Very low28.9Very low79 Ų79137.2 Ų137.281%0.81480%0.796SS**  trans175.1122.9174.200000111.7
420C23.7Very low29.1Very low119 Ų119136.3 Ų136.380%0.80479%0.79SS**  trans-107.7171.3-173-57.90000112.8
421L25.5Very low29.2Very low160 Ų160136.8 Ų136.884%0.83879%0.788SS**  trans75.5130.3170.3-48.3171.7000113.6
422L26.2Very low29.3Very low168 Ų168136.1 Ų136.188%0.8879%0.785SS**  -155.3155.555.3-86.2164.9000114.2
423E24.1Very low29.3Very low173 Ų173134.9 Ų134.981%0.80878%0.782SS**  trans-90.7-176.1158.2-120.7-175.310200109.2
424P43Very low29.3Very low104 Ų104138.9 Ų138.968%0.67578%0.782SS**  cis-133.7178.7-12.339.7-23.7000114.2
425E23.7Very low29.5Very low191 Ų191139 Ų13989%0.89378%0.776SS**  trans-157.7128.2137.7-137.8171.4-155.300112
426V34.3Very low29.6Very low132 Ų132139.4 Ų139.480%0.877%0.77SS**  trans-152.1135.2175.3177.50000109.3
427P41.5Very low29.6Very low101 Ų101140.3 Ų140.366%0.65677%0.767SS**  trans-126135.415434.7-22.4000114
428E27.9Very low29.9Very low177 Ų177143.9 Ų143.983%0.82776%0.763SS**  trans74.6139.2133.7-73.2177.2155.200120.8
429E30.4Very low30Very low130 Ų130136.9 Ų136.961%0.60775%0.747SS**  cis-160.6137.1-5.1-174.5179-155.500112.5
430K30.9Very low30.4Very low159 Ų159142.3 Ų142.369%0.69174%0.744SS**  trans58.5148.7158.2-73.9168.5-171.5152.80118.7
431D31Very low30.8Very low117 Ų117143.7 Ų143.763%0.62674%0.739SS**  cis-162.3175.75.9-126.2-8.1000109.6
432Q31.6Very low31Very low149 Ų149144.4 Ų144.470%0.69674%0.735SS**  cis-155.7169.72.2-148.7170.786.700110.4
433V29.5Very low31.4Very low119 Ų119144.9 Ų144.972%0.72173%0.733SS**  trans47.1108.7163.3-162.60000120
434M27.4Very low31.7Very low166 Ų166143.4 Ų143.482%0.81874%0.736SS**  trans-138146.8148.2177.4-178.665.100109.1
435V32.5Very low30.8Very low124 Ų124149.3 Ų149.375%0.75275%0.745SS**  trans-131.978174.3-179.60000108.4
436T30.9Very low30.7Very low97 Ų97150.6 Ų150.660%0.59574%0.742SS**  72121.3100.160.70000116.7
437F27.9Very low30.3Very low203 Ų203150.4 Ų150.489%0.8973%0.73SS**  -157.3140120.2-134.2-99000112.9
438Q33Very low29.6Very low148 Ų148152 Ų15269%0.69273%0.729SS**  trans-124.5158.6162.5-73.2-175.7-700106.6Y440Q438-Y440 HydrophobicContact CB-CE2 4.37Å
439G29.4Very low29.5Very low59 Ų59151.6 Ų151.661%0.60873%0.727SS**  cis156.41802.200000109.6
440Y33.1Very low29.3Very low193 Ų193149.8 Ų149.876%0.75773%0.734SS**  trans66.6165.1164.5-48.5-72.2000117.9Q438Q438-Y440 HydrophobicContact CB-CE2 4.37Å
441Q32.6Very low29.1Very low148 Ų148146.2 Ų146.269%0.69273%0.734SS**  cis-162.5160.5-46.9-156.9-164.223.100109.9
442K29.8Very low29Very low174 Ų174148.9 Ų148.976%0.75774%0.743SS**  trans85.6163.5154-90165.2-177.6158.10120.6
443Q34.2Very low29.7Very low179 Ų179146.1 Ų146.184%0.83674%0.738SS**  trans-121.5158.6-162.4-47.8148.2-7800110.9
444T30.3Very low29.7Very low141 Ų141148 Ų14887%0.86574%0.743SS**  trans-171.7127.1132.122.80000115.4
445R25.9Very low29.9Very low229 Ų229147.1 Ų147.186%0.86474%0.742SS**  33.1102.4129.2-171.5179-74.8177.6-3.6121.7
446W21Very low29.9Very low217 Ų217144.6 Ų144.682%0.82274%0.741SS**  63.9122115.9-165.5-113000124.2
447K25.4Very low29.9Very low128 Ų128147.9 Ų147.956%0.55775%0.75SS**  trans87.2130.9145.1-117.1-166.9178.9-140.70123.8
448E27.5Very low30.1Very low135 Ų135144.5 Ų144.563%0.63174%0.74SS**  trans62.2154142.8-98.8152.2-14500120
449E25.2Very low30.6Very low169 Ų169142.1 Ų142.179%0.7974%0.737SS**  cis-153-179.29.6-161.1163.9-158.800111.3
450A26.9Very low30.5Very low92 Ų92147.2 Ų147.276%0.7675%0.749SS**  trans74.8145.9158.600000119.7
451A26.3Very low30.2Very low84 Ų84142.1 Ų142.169%0.69475%0.747SS**  cis-166.1150.6-19.400000111.5
452E28.5Very low30Very low172 Ų172144.4 Ų144.480%0.80476%0.758SS**  36.7161.8128.3-63-75.695.200122.7
453P47.4Very low30Very low91 Ų91140.8 Ų140.859%0.59176%0.761SS**  cis-135.8179.4-23.330.8-10000114.1
454L28.4Very low29.7Very low159 Ų159142.7 Ų142.783%0.83277%0.766SS**  trans143131.8132.8-78.4165.1000111.2
455D31.7Very low29.6Very low147 Ų147143 Ų14379%0.78676%0.763SS**  cis172.4147.7-23.9169.825.1000103.9
456G31.6Very low30.6Very low72 Ų72136.8 Ų136.874%0.74275%0.752SS**  trans159.768.3-172.700000116.9
457E30.9Very low31Very low165 Ų165134.9 Ų134.977%0.77175%0.752SS**  trans-63.3162.9168.6-67.9-152.7114.600113.2
458I34Very low31.1Very low133 Ų133137 Ų13768%0.68277%0.769SS**  cis-169.3170.65.6-124.6178.1000108.7
459P42.3Very low31Very low97 Ų97133.9 Ų133.963%0.6377%0.773SS**  cis-134.5-172.4-25.642.9-26000114.2
460L26.7Very low31.2Very low166 Ų166132.3 Ų132.387%0.86978%0.775SS**  trans20.1142.4146.7-8372.8000121.2
461A28Very low31.2Very low87 Ų87138.4 Ų138.472%0.71978%0.778SS**  cis-154.615840.900000116.8
462E27.6Very low31.5Very low195 Ų195142.5 Ų142.591%0.91179%0.787SS**  trans3.6111.5161.8-57.5180128.300121.5
463A30.1Very low31.6Very low99 Ų99142.5 Ų142.582%0.81879%0.787SS**  -159.7153.312800000109.6
464F27.2Very low30.5Very low218 Ų218141.3 Ų141.396%0.95679%0.792SS**  trans-87.2147.4-179.8-80.3-97.7000112.9
465D29.1Very low30.6Very low147 Ų147142 Ų14279%0.78680%0.797SS**  trans-126.8-174.2-178.5-152.641.5000108.4
466P45.8Very low30.6Very low100 Ų100141 Ų14165%0.64980%0.8SS**  -126.3-148.6-86.943.9-30.8000113.8
467E29.8Very low30.6Very low176 Ų176142.1 Ų142.182%0.82280%0.803SS**  trans-24.3145.2169.4-55.9-176.212000118.5
468L27.4Very low30.8Very low174 Ų174146 Ų14691%0.91181%0.811SS**  trans-130.8115.4133.7-150.185.3000109.8
469G26.9Very low30.9Very low69 Ų69144.2 Ų144.271%0.71181%0.808SS**  trans-78.9145.9-177.700000113.6
470V29.5Very low30.5Very low136 Ų136145.7 Ų145.782%0.82482%0.817SS**  trans-116125.5167.2177.30000109.6
471R26.8Very low30.7Very low220 Ų220144.6 Ų144.683%0.8382%0.817SS**  trans-95.9109.5-175.9-173.8-167-160.4-168.88.8110.6
472L32.1Very low30.8Very low169 Ų169145 Ų14589%0.88582%0.821SS**  trans-126.4155.1160.2-76.9176.2000110.1
473Q29.5Very low31.1Very low172 Ų172144 Ų14480%0.80482%0.821SS**  trans-147.1133.1-156.3173.7178.2-10.200109.8
474G26Very low31.3Very low67 Ų67144.1 Ų144.169%0.69182%0.822SS**  trans152.422.7169.600000120.1S476G474-S476 PolarHBondContact O-N 3.33Å
475D29.6Very low31.6Very low174 Ų174140.8 Ų140.893%0.9382%0.819SS**  trans-70.1112.6172.3-92.3-20.6000111.4A477D475-A477 PolarHBondContact O-N 3.41Å
476S31.7Very low31.6Very low124 Ų124136.8 Ų136.887%0.86781%0.813SS**  trans-93.178.2-178.544.30000112.4G474G474-S476 PolarHBondContact O-N 3.33Å
477A31.4Very low30.9Very low97 Ų97143 Ų14380%0.80283%0.825SS**PPolyproline II helixtrans-73.5133.917600000113D475D475-A477 PolarHBondContact O-N 3.41Å
478W35.3Very low30.8Very low247 Ų247141.2 Ų141.294%0.93682%0.821SS**PPolyproline II helixtrans-75.7146.3172.4-157.2-101.4000110.5
479P35.4Very low31Very low95 Ų95140.8 Ų140.862%0.61781%0.812SS**PPolyproline II helixtrans-74.6157.7-160.427.7-37.3000115.9
480P34.1Very low31Very low127 Ų127144.5 Ų144.583%0.82581%0.81SS**PPolyproline II helixtrans-74.2145.6178.231.1-35.4000113
481V32.3Very low30.9Very low143 Ų143145.7 Ų145.787%0.86781%0.807SS**PPolyproline II helixtrans-74.6134170.3176.30000109.9
482A29.9Very low31Very low96 Ų96140.8 Ų140.879%0.79381%0.806SS**PPolyproline II helixtrans-71.4134-178.100000112.6
483L33.2Very low31Very low175 Ų175142.1 Ų142.192%0.91681%0.808SS**PPolyproline II helixtrans-87.9139.6166.9-87.6165.2000110.3
484A34.4Very low31.1Very low101 Ų101137.6 Ų137.684%0.83581%0.808SS**PPolyproline II helixtrans-101.2123.3-179.100000112.2
485T33.8Very low31.1Very low147 Ų147143 Ų14390%0.90282%0.817SS**  trans-143.3135.9162.246.40000108.1
486G28.5Very low30.9Very low64 Ų64138.7 Ų138.766%0.6681%0.806SS**  trans-111-149.1-16800000115.8
487Y30.5Very low30.8Very low229 Ų229138.6 Ų138.690%0.89881%0.805SS**  trans73.6155.5-174.5-53.3-83.7000116.5
488L29.1Very low30.5Very low140 Ų140138.4 Ų138.473%0.73380%0.804SS**  -164.5131.4-54.6-140.2157.6000109.3
489K30.1Very low31.6Very low165 Ų165132.4 Ų132.472%0.71780%0.796SS**  trans66.5162.9168.9-98.3175.7160.5-145.30116.1
490Q27.7Very low32.1Very low146 Ų146134 Ų13468%0.68281%0.807SS**  cis-138.1-178.94.1-155.7157.3-88.200112.6
491E27.4Very low31.8Very low162 Ų162131.3 Ų131.376%0.75780%0.802SS**  trans-86.3165.4-162-49.1124.8100.600117.5
492S29.7Very low31.8Very low116 Ų116131 Ų13181%0.81180%0.801SS**  trans-146.3151.5137.760.50000113.1
493Q32.3Very low32.5Very low197 Ų197131.8 Ų131.892%0.92180%0.798SS**  trans-60.2159.3-174.4-54.9129.9-6.700113.2
494G29.9Very low32.3Very low78 Ų78128.3 Ų128.380%0.80479%0.788SS**  cis177.1-158.37.600000108.5
495M26.1Very low31.9Very low179 Ų179135.6 Ų135.688%0.88279%0.794SS**  cis-171.1129.5-10.8171.856.9173.500110.1
496A27Very low31.6Very low84 Ų84136 Ų13669%0.69479%0.786SS**  trans62.7148.1175.400000117.3
497S27.8Very low31.6Very low123 Ų123142.4 Ų142.486%0.8679%0.79SS**  cis-144.8171.123-60.20000113.5
498A26.9Very low31.5Very low93 Ų93138.3 Ų138.377%0.76978%0.784SS**  trans-156.3-175.6179.200000109.7
499P57.8Low31.6Very low120 Ų120139.9 Ų139.978%0.77979%0.788SS**  cis-108.8-140.7-13.543.8-29.6000108.7
500P45.7Very low31.5Very low129 Ų129139.7 Ų139.784%0.83879%0.794SS**  cis-119.5-160.5-13.845.7-29.5000111.8
501G27.5Very low31.4Very low71 Ų71136.3 Ų136.373%0.73279%0.79SS**  cis-176.3153.7-3.600000112.6
502T32.2Very low31.6Very low136 Ų136136.7 Ų136.783%0.83479%0.792SS**  trans-84.1165.3-176.2-10.40000113.1
503P44.7Very low31.5Very low113 Ų113139.6 Ų139.673%0.73479%0.793SS**  -156.7162.580.742.1-21.7000120.2
504S28.5Very low31.2Very low102 Ų102135.1 Ų135.171%0.71378%0.783SS**  trans60.2121.2140.266.40000123.4
505R27Very low31Very low253 Ų253136.5 Ų136.596%0.95578%0.781SS**  -144.3159.8103.8-131179.4-174.4-165.50.4110
506Q27.3Very low31.2Very low155 Ų155135 Ų13572%0.72478%0.776SS**  trans-142.4143.8-160.399.4167.66400114.5
507W28.8Very low31.2Very low199 Ų199138.7 Ų138.775%0.75478%0.783SS**  trans66.8158.8158.3-71.861.1000117.6
508N27.5Very low31.1Very low143 Ų143136.5 Ų136.577%0.76578%0.78SS**  cis-131.5163.818.8-64-88000114.3
509Q32.8Very low31.3Very low174 Ų174138.6 Ų138.681%0.81378%0.782SS**  trans-115.7146.4156.5-90.3-172-28.500110.2
510L27.2Very low29.9Very low161 Ų161139.3 Ų139.384%0.84378%0.784SS**  trans-155.3131.6149-96.4123.9000104.5
511A25.9Very low28.8Very low74 Ų74138.2 Ų138.261%0.61278%0.779SS**  65.9123.250.200000111
512E30.3Very low28.8Very low170 Ų170140.3 Ų140.379%0.79478%0.782SS**  cis-152.5164.412.8-111.3153.1172.300111
513E28.2Very low28.7Very low178 Ų178142.8 Ų142.883%0.83278%0.784SS**  trans53.9143.3149.6-68.6-175.6159.400121.4
514S26Very low27.9Very low102 Ų102144 Ų14471%0.71378%0.784SS**  cis-159.1156.47.138.30000113.8
515S26.9Very low27.9Very low108 Ų108146 Ų14676%0.75579%0.786SS**  trans15.5150.4135.7-59.60000122.1
516L28.5Very low27.9Very low148 Ų148138 Ų13878%0.77577%0.769SS**  cis-178171.5-20.3-122.1173.2000109
517L27.7Very low28Very low161 Ų161138.3 Ų138.384%0.84377%0.774SS**  trans70.4147.5160.4-69.7162.6000119.7
518G25.3Very low27.9Very low77 Ų77137.2 Ų137.279%0.79478%0.777SS**  trans165.557.5179.600000113.5
519V32Very low28Very low136 Ų136134.7 Ų134.782%0.82477%0.771SS**  trans-119.5117.4-178176.80000111.1
520V27.5Very low27.8Very low136 Ų136134.8 Ų134.882%0.82478%0.776SS**  trans-150112.4164.7-173.90000104.5
521S24Very low27.7Very low105 Ų105130.4 Ų130.473%0.73477%0.769SS**  70.9136.672.5-152.60000114.4
522C26.5Very low27.7Very low116 Ų116136.9 Ų136.978%0.78478%0.784SS**  trans-103.4-166.3174.2-69.50000110.6
523E29.9Very low27.7Very low187 Ų187132.7 Ų132.787%0.87478%0.779SS**  trans83.9130-176.8-60.9176.212700114.1
524D28.8Very low27.7Very low139 Ų139131.7 Ų131.774%0.74377%0.774SS**  cis-161.3-176.5-10.6-165.812.7000110.3
525L28.4Very low27.7Very low144 Ų144134.1 Ų134.175%0.75477%0.774SS**  trans78.9148.4167.6-50.6177.4000117.7
526S27.3Very low27.8Very low86 Ų86135.8 Ų135.860%0.60177%0.774SS**  cis-171.2128.3-21.4530000113.2
527I27.5Very low28Very low160 Ų160135.1 Ų135.182%0.82178%0.775SS**  trans67.1159.1140.5-48.2165000118.8
528E28.7Very low28.7Very low177 Ų177132 Ų13283%0.82777%0.765SS**  trans75.1151.5173.9-52.9-160.8176.600118.5
529S28.2Very low29Very low89 Ų89135.6 Ų135.662%0.62277%0.765SS**  171.4157.7-60.560.30000108.6
530L28.6Very low28.8Very low177 Ų177135.2 Ų135.293%0.92776%0.758SS**  trans63.6161.6-179.1-82.567.7000114.7
531G24.8Very low28.8Very low68 Ų68134.3 Ų134.370%0.70176%0.757SS**  cis-168.5165.7-300000112.3
532F26.8Very low28.9Very low210 Ų210133.2 Ų133.292%0.92176%0.762SS**  trans-83.3143.4180-93.6-102.4000112.9
533A29.7Very low29.2Very low83 Ų83132.7 Ų132.769%0.68677%0.766SS**  trans56.6142.5147.700000120.9
534H28.8Very low29.2Very low157 Ų157128.7 Ų128.773%0.72777%0.765SS**  -171.2151.2109.1-110.8-108.3000112.1
535E26.2Very low29.2Very low152 Ų152127 Ų12771%0.7176%0.764SS**  trans37.8123.3148.4-68.8176.7116.500121.8
536L28.4Very low29.3Very low144 Ų144126 Ų12675%0.75477%0.769SS**  91.89258.8-78.5-174000115.4
537V32Very low29.4Very low133 Ų133125.2 Ų125.281%0.80678%0.775SS**  trans53180143.9-101.90000118.7
538P44Very low29.6Very low97 Ų97125.2 Ų125.263%0.6378%0.776SS**  cis-132.8177.2-3.542.6-26.4000117.2
539L29.9Very low29.7Very low151 Ų151123.7 Ų123.779%0.79177%0.772SS**  trans67.9150.2145.3-78.3160.1000119.4
540D28Very low29.9Very low128 Ų128126.2 Ų126.268%0.68478%0.779SS**  cis-159.3172-5.5-16314.6000112.9
541C28.1Very low30Very low117 Ų117123.1 Ų123.179%0.79177%0.772SS**  trans69.4128.9149.3-91.90000122.8
542G27Very low30.3Very low83 Ų83127.9 Ų127.986%0.85678%0.781SS**  trans167113.6163.900000112.9
543A31.6Very low30.4Very low105 Ų105121.7 Ų121.787%0.86878%0.776SS**  trans-114.9154-159.300000117.4
544A30.1Very low30.7Very low103 Ų103123.7 Ų123.785%0.85178%0.78SS**  trans70.4154.5160.200000117.7
545S29.9Very low30.9Very low102 Ų102123.9 Ų123.971%0.71379%0.786SS**  cis-160.6158.220.759.70000114.4
546S30.1Very low31.2Very low123 Ų123125 Ų12586%0.8680%0.796SS**  trans63.3151.816672.20000119.3
547G28.6Very low31.8Very low71 Ų71123.9 Ų123.973%0.73280%0.795SS**  cis143.691.9-15.200000116.3
548L31.5Very low32Very low160 Ų160123.8 Ų123.884%0.83880%0.795SS**  trans-175.5125.9160.1-92.6152.5000105.1
549L32.7Very low31.6Very low144 Ų144126.5 Ų126.575%0.75480%0.803SS**  64.2127.760.7-68173.2000113.3
550D30.5Very low32.6Very low142 Ų142125.2 Ų125.276%0.75980%0.804SS**  cis-164.1-170.9-5.7-156.8-5.7000111.1
551S31.1Very low33Very low112 Ų112126.5 Ų126.578%0.78381%0.81SS**  trans98.593.2162.274.30000118.5
552L31.4Very low33.3Very low168 Ų168129.3 Ų129.388%0.8882%0.815SS**  trans-127.1120.9150-112168.5000108.4
553G30.1Very low33.5Very low80 Ų80130.3 Ų130.383%0.82581%0.81SS**  trans-75.2124.3-177.100000112.3
554T35.8Very low33.7Very low125 Ų125130.7 Ų130.777%0.76781%0.806SS**  trans-77.8150.2179.1460000113
555N33.1Very low34Very low161 Ų161132.9 Ų132.986%0.86180%0.802SS**  -162.5125.8128.9-97-45000110.3
556L32.2Very low34.2Very low176 Ų176136.1 Ų136.192%0.92181%0.806SS**  trans-136.8130.7179.6-113.1170.8000108
557V40.5Very low34.7Very low121 Ų121137.3 Ų137.373%0.73380%0.802SS**  trans-129.3103.4-175.4177.30000110.6
558T35.8Very low35.2Very low130 Ų130142.9 Ų142.980%0.79881%0.809SS**  trans47.1116.1154.659.30000120.8
559L36.3Very low35.5Very low154 Ų154147.7 Ų147.781%0.80683%0.827SS**  trans-72.2170.9148.2-66.2166.7000110.8
560P51.3Low35.7Very low124 Ų124147.9 Ų147.981%0.80583%0.83SS**  -134.3171.999.438.6-29.8000114.9
561L35.4Very low35.9Very low155 Ų155148.2 Ų148.281%0.81283%0.834SS**  trans-88.2152.3-172.9-55.880000113.6
562I34.2Very low36.2Very low176 Ų176150.2 Ų150.290%0.90384%0.837SS**  trans-134.1157.8141.5-64.5-171.8000108
563S31.9Very low36.5Very low105 Ų105149.2 Ų149.273%0.73483%0.834SS**  trans-117.5-173.9-170.8-168.50000112.9
564S35.4Very low36.9Very low112 Ų112153.5 Ų153.578%0.78384%0.835SS**  trans68.5129.8-174.565.60000115.3
565L36.3Very low36.9Very low149 Ų149155.4 Ų155.478%0.7884%0.84SS**  cis89.179.610.8-147.9-179.9000116.7
566Q35.1Very low37.2Very low170 Ų170155 Ų15579%0.79484%0.838SS**  trans-162.7141.2149.1-99.7171.4-83.500104.4
567I40.1Very low37.6Very low149 Ų149153.4 Ų153.476%0.76483%0.832SS**  cis61.493.430.1-52.2-179.1000113
568E38.8Very low37.4Very low188 Ų188156.1 Ų156.188%0.87984%0.84SS**  trans-149170.8150.6-158.1142.1-143.200108.7
569E38Very low37.5Very low261 Ų261158.5 Ų158.5100%1.2284%0.844SS**  trans-102.60-164.2-171.2172.6-174.900113.2

Retrieved 569 of 569 residues in 899 ms (Link to these results)