G4V6V0_SCHMA Loading...

DUF4773 domain-containing protein

AlphaFold DB , UniProt , Accession G4V6V0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 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
1M47.9Very low58.6Low236 Ų236147.7 Ų147.7100%1.16370%0.703SS**  00.60-118.1166.8164.500115.2
2I52.8Low60.3Low145 Ų145141.8 Ų141.874%0.74468%0.684SS**THydrogen-bonded Turntrans-80.1-20.5-166.9-62.1164.5000114.8K4I2-K4 PolarHBondContact O-N 3.39Å
3K52.9Low62Low194 Ų194139.5 Ų139.584%0.84368%0.676SS**Hα-helixtrans-73-20-175.4-81.9-175.5175.7179.60115.8
4K53.2Low63.7Low186 Ų186137.1 Ų137.181%0.80967%0.667SS**Hα-helixtrans-78.4-24.2-179.7-89-175.1174.9-178.70113.8I2I2-K4 PolarHBondContact O-N 3.39Å
5S55.6Low65.1Low75 Ų75138.5 Ų138.552%0.52467%0.669SS.*Hα-helixtrans-72.6-44.4-177.3169.40000112.8F7 M8 H9S5-F7 VanDerWaalsContact C-N 3.33Å; S5-F7 PolarHBondContact O-N 3.38Å; S5-M8 PolarHBondContact O-N 3.48Å; S5-H9 PolarHBondContact O-N 3.33Å
6L54.1Low66.5Low123 Ų123137.1 Ų137.164%0.64467%0.665SS**Hα-helixtrans-66.2-31.1-178.3-85.1152.1000113.9H9 K10L6-H9 PolarHBondContact O-N 3.25Å; L6-K10 PolarHBondContact O-N 3.49Å
7F57Low67.9Low138 Ų138135.1 Ų135.161%0.60566%0.658SS**Hα-helixtrans-75.9-31.2-178.4-147.4-96.7000112.5S5 K11S5-F7 VanDerWaalsContact C-N 3.33Å; S5-F7 PolarHBondContact O-N 3.38Å; F7-K11 PolarHBondContact O-N 3.36Å
8M58.1Low69.1Low129 Ų129133.9 Ų133.964%0.63565%0.654SS**Hα-helixtrans-69.5-39.7172.1-72.5-119.979.300111.2S5 K10 K11 T12S5-M8 PolarHBondContact O-N 3.48Å; M8-K10 PolarHBondContact O-N 3.3Å; M8-K11 PolarHBondContact O-N 3.07Å; M8-T12 PolarHBondContact O-N 3.04Å; M8-T12 PolarHBondContact O-OG1 3.1Å
9H63.3Low70.1Confident128 Ų128129.4 Ų129.459%0.59364%0.641SS**Hα-helixtrans-63.8-37.4177.9-92.8-59.3000114.1S5 L6 T12 L13S5-H9 PolarHBondContact O-N 3.33Å; L6-H9 PolarHBondContact O-N 3.25Å; H9-T12 WeakPolarHBondContact CA-OG1 3.39Å; H9-T12 PolarHBondContact O-OG1 3.43Å; H9-T12 VanDerWaalsContact O-OG1 3.04Å; H9-L13 WeakPolarHBondContact O-CB 3.41Å; H9-L13 PolarHBondContact O-N 3.46Å
10K72.3Confident71Confident154 Ų154126.7 Ų126.767%0.6763%0.634SS**Hα-helixtrans-66.8-41.4175.9-83.6-170.6175.6-174.50112.4L6 M8 L13 I14L6-K10 PolarHBondContact O-N 3.49Å; M8-K10 PolarHBondContact O-N 3.3Å; K10-L13 PolarHBondContact O-N 3.33Å; K10-I14 WeakPolarHBondContact O-CG1 3.35Å; K10-I14 PolarHBondContact O-N 2.93Å; K10-I14 VanDerWaalsContact O-N 3.1Å
11K77.4Confident71.9Confident117 Ų117124.5 Ų124.551%0.50963%0.627SS.*Hα-helixtrans-65.5-44.6178.8-72-173.7178.1-174.10111.3F7 M8 L13 I14 F15F7-K11 PolarHBondContact O-N 3.36Å; M8-K11 PolarHBondContact O-N 3.07Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.39Å; K11-I14 PolarHBondContact O-N 3.47Å; K11-F15 WeakPolarHBondContact O-CD2 3.29Å; K11-F15 PolarHBondContact O-N 3.03Å
12T79.4Confident73.7Confident76 Ų76116.7 Ų116.747%0.46659%0.593SS.*Hα-helixtrans-63.7-39177.245.20000112M8 H9 F15 L16M8-T12 PolarHBondContact O-N 3.04Å; M8-T12 PolarHBondContact O-OG1 3.1Å; H9-T12 WeakPolarHBondContact CA-OG1 3.39Å; H9-T12 PolarHBondContact O-OG1 3.43Å; H9-T12 VanDerWaalsContact O-OG1 3.04Å; T12-F15 PolarHBondContact O-N 3.02Å; T12-L16 WeakPolarHBondContact O-CB 3.33Å; T12-L16 PolarHBondContact O-N 3.05Å
13L82.9Confident75.3Confident112 Ų112115.3 Ų115.359%0.58659%0.587SS**Hα-helixtrans-65.5-40177.9-163.3122.7000112.8H9 K10 K11 L16 L17H9-L13 WeakPolarHBondContact O-CB 3.41Å; H9-L13 PolarHBondContact O-N 3.46Å; K10-L13 PolarHBondContact O-N 3.33Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-L17 HydrophobicContact CD2-CD1 4.12Å; L13-L17 PolarHBondContact O-N 3.35Å
14I84.6Confident76.8Confident107 Ų107113 Ų11355%0.54957%0.573SS.*Hα-helixtrans-65.1-44.8175.1-67.4165.6000110.7K10 K11 L16 L17 L18K10-I14 WeakPolarHBondContact O-CG1 3.35Å; K10-I14 PolarHBondContact O-N 2.93Å; K10-I14 VanDerWaalsContact O-N 3.1Å; K11-I14 PolarHBondContact O-N 3.47Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 PolarHBondContact O-N 3.4Å; I14-L17 PolarHBondContact O-N 2.98Å; I14-L18 PolarHBondContact O-N 3.38Å
15F84.7Confident78.2Confident157 Ų157108.2 Ų108.269%0.68956%0.556SS**Hα-helixtrans-61.4-38.2176.5-96.8-81.4000112.3K11 T12 L18 A19K11-F15 WeakPolarHBondContact O-CD2 3.29Å; K11-F15 PolarHBondContact O-N 3.03Å; T12-F15 PolarHBondContact O-N 3.02Å; F15-L18 PolarHBondContact O-N 3.31Å; F15-A19 VanDerWaalsContact O-CB 3.29Å; F15-A19 WeakPolarHBondContact O-CB 3.32Å; F15-A19 PolarHBondContact O-N 3.34Å
16L88.3Confident79.4Confident116 Ų116109.9 Ų109.961%0.60756%0.558SS**Hα-helixtrans-71.1-38.5179.9-147.8143.1000111.6T12 L13 I14 A19 C20T12-L16 WeakPolarHBondContact O-CB 3.33Å; T12-L16 PolarHBondContact O-N 3.05Å; L13-L16 PolarHBondContact O-N 2.93Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 PolarHBondContact O-N 3.4Å; L16-A19 PolarHBondContact O-N 2.92Å; L16-C20 WeakPolarHBondContact O-CB 3.41Å; L16-C20 PolarHBondContact O-N 2.9Å; L16-C20 PolarHBondContact O-SG 3.49Å; L16-C20 VanDerWaalsContact O-SG 3.34Å
17L89.4Confident80.6Confident104 Ų104109.8 Ų109.855%0.54555%0.553SS.*Hα-helixtrans-62-46.4170.7-102.7157000111.9L13 I14 A19 C20 V21L13-L17 HydrophobicContact CD2-CD1 4.12Å; L13-L17 PolarHBondContact O-N 3.35Å; I14-L17 PolarHBondContact O-N 2.98Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.42Å; L17-C20 PolarHBondContact O-N 3.48Å; L17-V21 WeakPolarHBondContact O-CG2 3.35Å; L17-V21 PolarHBondContact O-N 2.85Å
18L90Very high81.5Confident113 Ų113108.2 Ų108.259%0.59254%0.543SS*.Hα-helixtrans-61.9-45.1178.4-137.492.3000110.9I14 F15 V21 T22I14-L18 PolarHBondContact O-N 3.38Å; F15-L18 PolarHBondContact O-N 3.31Å; L18-V21 PolarHBondContact O-N 2.95Å; L18-T22 PolarHBondContact O-N 3.03Å; L18-T22 PolarHBondContact O-OG1 3.43Å
19A88Confident82.3Confident49 Ų49107.7 Ų107.741%0.40554%0.543SS..Hα-helixtrans-59.5-47.7176.400000111.2F15 L16 L17 V21 T22 L23F15-A19 VanDerWaalsContact O-CB 3.29Å; F15-A19 WeakPolarHBondContact O-CB 3.32Å; F15-A19 PolarHBondContact O-N 3.34Å; L16-A19 PolarHBondContact O-N 2.92Å; L17-A19 VanDerWaalsContact C-N 3.34Å; L17-A19 PolarHBondContact O-N 3.42Å; A19-V21 PolarHBondContact O-N 2.78Å; A19-T22 WeakPolarHBondContact CA-OG1 3.25Å; A19-T22 PolarHBondContact O-N 3.4Å; A19-T22 PolarHBondContact O-OG1 2.98Å; A19-L23 VanDerWaalsContact O-CB 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.32Å; A19-L23 PolarHBondContact O-N 3.42Å
20C89.2Confident82.6Confident75 Ų75112.7 Ų112.751%0.50756%0.556SS.*Hα-helixtrans-60.3-41.4177-77.40000112.8L16 L17 L23 Y24L16-C20 WeakPolarHBondContact O-CB 3.41Å; L16-C20 PolarHBondContact O-N 2.9Å; L16-C20 PolarHBondContact O-SG 3.49Å; L16-C20 VanDerWaalsContact O-SG 3.34Å; L17-C20 PolarHBondContact O-N 3.48Å; C20-L23 PolarHBondContact O-N 3.33Å; C20-Y24 VanDerWaalsContact O-CB 3.31Å; C20-Y24 WeakPolarHBondContact O-CB 3.24Å; C20-Y24 PolarHBondContact O-N 3.44Å
21V88.7Confident82.1Confident81 Ų81109.4 Ų109.449%0.49155%0.546SS..Hα-helixtrans-65.9-45.4177.3173.20000110.8L17 L18 A19 L23 Y24 I25L17-V21 WeakPolarHBondContact O-CG2 3.35Å; L17-V21 PolarHBondContact O-N 2.85Å; L18-V21 PolarHBondContact O-N 2.95Å; A19-V21 PolarHBondContact O-N 2.78Å; V21-L23 VanDerWaalsContact C-N 3.3Å; V21-L23 PolarHBondContact O-N 2.66Å; V21-Y24 PolarHBondContact O-N 3.31Å; V21-I25 HydrophobicContact CG1-CD1 3.98Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 3.34Å
22T85.6Confident80.9Confident72 Ų72106.3 Ų106.344%0.44255%0.547SS..Hα-helixtrans-63.1-38.1176.2480000112.3L18 A19 I25 L26L18-T22 PolarHBondContact O-N 3.03Å; L18-T22 PolarHBondContact O-OG1 3.43Å; A19-T22 WeakPolarHBondContact CA-OG1 3.25Å; A19-T22 PolarHBondContact O-N 3.4Å; A19-T22 PolarHBondContact O-OG1 2.98Å; T22-I25 PolarHBondContact O-N 2.85Å; T22-L26 WeakPolarHBondContact O-CB 3.25Å; T22-L26 VanDerWaalsContact O-CG 3.24Å; T22-L26 WeakPolarHBondContact O-CG 3.35Å; T22-L26 PolarHBondContact O-N 2.69Å
23L87.9Confident79.1Confident116 Ų116107.3 Ų107.361%0.60755%0.549SS*.Hα-helixtrans-72.4-35.6-179.9-144.8147.2000110.9A19 C20 V21 F27A19-L23 VanDerWaalsContact O-CB 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.32Å; A19-L23 PolarHBondContact O-N 3.42Å; C20-L23 PolarHBondContact O-N 3.33Å; V21-L23 VanDerWaalsContact C-N 3.3Å; V21-L23 PolarHBondContact O-N 2.66Å; L23-F27 WeakPolarHBondContact O-CB 3.07Å; L23-F27 PolarHBondContact O-N 2.92Å
24Y84.3Confident77.4Confident144 Ų144105.9 Ų105.957%0.56555%0.548SS*.Hα-helixtrans-60.7-51.7170.6-177.1-98.3000110.7C20 V21 L26 F27 W28C20-Y24 VanDerWaalsContact O-CB 3.31Å; C20-Y24 WeakPolarHBondContact O-CB 3.24Å; C20-Y24 PolarHBondContact O-N 3.44Å; V21-Y24 PolarHBondContact O-N 3.31Å; Y24-L26 PolarHBondContact O-N 2.48Å; Y24-F27 WeakPolarHBondContact O-CB 3.42Å; Y24-F27 PolarHBondContact O-N 3.22Å; Y24-F27 VanDerWaalsContact O-N 3.11Å; Y24-W28 AromaticContact CD1-CD1 3.56Å; Y24-W28 AromaticContact CD1-NE1 3.74Å; Y24-W28 AromaticContact CD2-CD1 3.93Å; Y24-W28 AromaticContact CD2-NE1 3.53Å; Y24-W28 AromaticContact CE1-CD1 3.42Å; Y24-W28 VanDerWaalsContact CE1-CD1 3.42Å; Y24-W28 AromaticContact CE1-NE1 3.24Å; Y24-W28 AromaticContact CE2-CD1 3.82Å; Y24-W28 HydrophobicContact CE2-CZ2 4.46Å; Y24-W28 AromaticContact CE2-NE1 3.01Å; Y24-W28 AromaticContact CG-CD1 3.82Å; Y24-W28 AromaticContact CG-NE1 3.88Å; Y24-W28 AromaticContact CZ-CD1 3.58Å; Y24-W28 AromaticContact CZ-CE2 3.75Å; Y24-W28 AromaticContact CZ-NE1 2.86Å; Y24-W28 PolarHBondContact O-N 2.99Å; Y24-W28 PolarHBondContact OH-NE1 2.94Å
25I81.3Confident75.4Confident87 Ų87106 Ų10645%0.44656%0.556SS.*Hα-helixtrans-58-49178.4-64.6166.4000110.7V21 T22 F27 W28 D29V21-I25 HydrophobicContact CG1-CD1 3.98Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 3.34Å; T22-I25 PolarHBondContact O-N 2.85Å; I25-F27 VanDerWaalsContact C-N 3.28Å; I25-F27 PolarHBondContact O-N 3.2Å; I25-W28 PolarHBondContact O-N 2.82Å; I25-D29 PolarHBondContact O-N 3.11Å
26L81.6Confident73Confident109 Ų109104.2 Ų104.257%0.57155%0.553SS**Hα-helixtrans-63.2-32.9177.5-71.9169.7000113T22 Y24 R30T22-L26 WeakPolarHBondContact O-CB 3.25Å; T22-L26 VanDerWaalsContact O-CG 3.24Å; T22-L26 WeakPolarHBondContact O-CG 3.35Å; T22-L26 PolarHBondContact O-N 2.69Å; Y24-L26 PolarHBondContact O-N 2.48Å; L26-R30 WeakPolarHBondContact O-CB 3.31Å; L26-R30 PolarHBondContact O-N 3.09Å
27F79.7Confident71Confident122 Ų122104.7 Ų104.754%0.53556%0.556SS.*Hα-helixtrans-71.1-39177.2-172.5-110000111.4L23 Y24 I25 R30 L31L23-F27 WeakPolarHBondContact O-CB 3.07Å; L23-F27 PolarHBondContact O-N 2.92Å; Y24-F27 WeakPolarHBondContact O-CB 3.42Å; Y24-F27 PolarHBondContact O-N 3.22Å; Y24-F27 VanDerWaalsContact O-N 3.11Å; I25-F27 VanDerWaalsContact C-N 3.28Å; I25-F27 PolarHBondContact O-N 3.2Å; F27-R30 PolarHBondContact O-N 2.83Å; F27-L31 HydrophobicContact CD1-CD1 3.43Å; F27-L31 VanDerWaalsContact CD1-CD1 3.43Å; F27-L31 HydrophobicContact CD2-CD1 4.2Å; F27-L31 HydrophobicContact CE1-CD1 3.09Å; F27-L31 HydrophobicContact CE1-CG 4.41Å; F27-L31 HydrophobicContact CE2-CD1 3.9Å; F27-L31 HydrophobicContact CG-CD1 3.98Å; F27-L31 HydrophobicContact CZ-CD1 3.35Å; F27-L31 HydrophobicContact CZ-CG 4.35Å; F27-L31 VanDerWaalsContact O-CB 3.3Å; F27-L31 WeakPolarHBondContact O-CB 3.48Å; F27-L31 PolarHBondContact O-N 2.93Å
28W74Confident68.6Low105 Ų105107.1 Ų107.140%0.39856%0.559SS.*Hα-helixtrans-66.2-41.8171.6-77.598.6000112.4Y24 I25 R30 L31 G32 L33Y24-W28 AromaticContact CD1-CD1 3.56Å; Y24-W28 AromaticContact CD1-NE1 3.74Å; Y24-W28 AromaticContact CD2-CD1 3.93Å; Y24-W28 AromaticContact CD2-NE1 3.53Å; Y24-W28 AromaticContact CE1-CD1 3.42Å; Y24-W28 VanDerWaalsContact CE1-CD1 3.42Å; Y24-W28 AromaticContact CE1-NE1 3.24Å; Y24-W28 AromaticContact CE2-CD1 3.82Å; Y24-W28 HydrophobicContact CE2-CZ2 4.46Å; Y24-W28 AromaticContact CE2-NE1 3.01Å; Y24-W28 AromaticContact CG-CD1 3.82Å; Y24-W28 AromaticContact CG-NE1 3.88Å; Y24-W28 AromaticContact CZ-CD1 3.58Å; Y24-W28 AromaticContact CZ-CE2 3.75Å; Y24-W28 AromaticContact CZ-NE1 2.86Å; Y24-W28 PolarHBondContact O-N 2.99Å; Y24-W28 PolarHBondContact OH-NE1 2.94Å; I25-W28 PolarHBondContact O-N 2.82Å; W28-R30 VanDerWaalsContact C-N 3.34Å; W28-R30 PolarHBondContact O-N 2.91Å; W28-L31 PolarHBondContact O-N 3.33Å; W28-G32 PolarHBondContact O-N 3.31Å; W28-L33 HydrophobicContact CE3-CB 3.73Å; W28-L33 HydrophobicContact CZ3-CB 3.7Å; W28-L33 HydrophobicContact CZ3-CD1 4.35Å
29D75.4Confident65.9Low117 Ų117108.7 Ų108.763%0.62657%0.568SS**Hα-helixtrans-62.3-41.1174.9-72-20.5000111.3I25I25-D29 PolarHBondContact O-N 3.11Å
30R70.4Confident63.3Low234 Ų234114.3 Ų114.388%0.88358%0.578SS**Hα-helixtrans-73.7-34.4178-102.9-162.3178-160.61.1114.4L26 F27 W28 G32L26-R30 WeakPolarHBondContact O-CB 3.31Å; L26-R30 PolarHBondContact O-N 3.09Å; F27-R30 PolarHBondContact O-N 2.83Å; W28-R30 VanDerWaalsContact C-N 3.34Å; W28-R30 PolarHBondContact O-N 2.91Å; R30-G32 PolarHBondContact O-N 3.42Å
31L62.4Low60.5Low85 Ų85116.3 Ų116.345%0.44559%0.59SS.*THydrogen-bonded Turntrans-73.1-8179.5-91.9157.9000112.8F27 W28 L33F27-L31 HydrophobicContact CD1-CD1 3.43Å; F27-L31 VanDerWaalsContact CD1-CD1 3.43Å; F27-L31 HydrophobicContact CD2-CD1 4.2Å; F27-L31 HydrophobicContact CE1-CD1 3.09Å; F27-L31 HydrophobicContact CE1-CG 4.41Å; F27-L31 HydrophobicContact CE2-CD1 3.9Å; F27-L31 HydrophobicContact CG-CD1 3.98Å; F27-L31 HydrophobicContact CZ-CD1 3.35Å; F27-L31 HydrophobicContact CZ-CG 4.35Å; F27-L31 VanDerWaalsContact O-CB 3.3Å; F27-L31 WeakPolarHBondContact O-CB 3.48Å; F27-L31 PolarHBondContact O-N 2.93Å; W28-L31 PolarHBondContact O-N 3.33Å; L31-L33 HydrophobicContact CB-CB 4.29Å; L31-L33 HydrophobicContact CB-CD1 3.93Å; L31-L33 HydrophobicContact CB-CG 4.08Å; L31-L33 HydrophobicContact CD1-CD1 4.26Å; L31-L33 HydrophobicContact CD2-CD1 4.22Å; L31-L33 HydrophobicContact CG-CD1 4.39Å; L31-L33 PolarHBondContact O-N 3.48Å
32G51.2Low58Low51 Ų51118.7 Ų118.753%0.52660%0.6SS.*THydrogen-bonded Turntrans59.814.6-17700000112.8W28 R30 S34W28-G32 PolarHBondContact O-N 3.31Å; R30-G32 PolarHBondContact O-N 3.42Å; G32-S34 PolarHBondContact O-N 3.43Å
33L42.3Very low55.4Low97 Ų97120.6 Ų120.651%0.50861%0.613SS.*  trans-85.727.9177.5-72.6168.6000110.9W28 L31W28-L33 HydrophobicContact CE3-CB 3.73Å; W28-L33 HydrophobicContact CZ3-CB 3.7Å; W28-L33 HydrophobicContact CZ3-CD1 4.35Å; L31-L33 HydrophobicContact CB-CB 4.29Å; L31-L33 HydrophobicContact CB-CD1 3.93Å; L31-L33 HydrophobicContact CB-CG 4.08Å; L31-L33 HydrophobicContact CD1-CD1 4.26Å; L31-L33 HydrophobicContact CD2-CD1 4.22Å; L31-L33 HydrophobicContact CG-CD1 4.39Å; L31-L33 PolarHBondContact O-N 3.48Å
34S46.7Very low52.6Low83 Ų83120.1 Ų120.158%0.5861%0.611SS**SBendtrans-51.9127.114863.30000105.3G32 N36G32-S34 PolarHBondContact O-N 3.43Å; S34-N36 PolarHBondContact O-N 3.05Å
35P42Very low50.3Low110 Ų110116.2 Ų116.271%0.71460%0.596SS**  trans-49.3109.6-177.117.9-29.9000108I37P35-I37 VanDerWaalsContact C-N 3.25Å; P35-I37 WeakPolarHBondContact O-CG1 3.08Å; P35-I37 PolarHBondContact O-N 3.46Å
36N34.3Very low47.7Very low118 Ų118117.5 Ų117.563%0.63160%0.603SS**  trans-74.590.8-177.8-167.46.2000105.1S34 Y38S34-N36 PolarHBondContact O-N 3.05Å; N36-Y38 PolarHBondContact O-N 3.41Å
37I46.7Very low45.5Very low127 Ų127116.4 Ų116.465%0.65160%0.597SS**G310 helixtrans-69.1-9.3-175.4-70.6164.7000111.2P35 D39P35-I37 VanDerWaalsContact C-N 3.25Å; P35-I37 WeakPolarHBondContact O-CG1 3.08Å; P35-I37 PolarHBondContact O-N 3.46Å; I37-D39 PolarHBondContact O-N 2.83Å
38Y38.8Very low43.2Very low155 Ų155115 Ų11561%0.60861%0.607SS**G310 helixtrans-84.90.8-166.5-70.4-70.6000117.2N36 N240N36-Y38 PolarHBondContact O-N 3.41Å; Y38-N240 PolarHBondContact OH-O 2.84Å
39D32.5Very low41Very low146 Ų146113.8 Ų113.878%0.78161%0.609SS**G310 helixtrans-99.531.8172.5-79.3-26.8000113.3I37I37-D39 PolarHBondContact O-N 2.83Å
40R34.8Very low39.2Very low166 Ų166113.4 Ų113.463%0.62661%0.607SS**SBendtrans-91.6121.7159.6-79.2-170.8-176.3-165.9-0109L42R40-L42 PolarHBondContact O-N 3.19Å
41P30.5Very low37.8Very low118 Ų118112.8 Ų112.877%0.76661%0.605SS**  trans-52.9137.9168.322.4-30.8000108.5P43P41-P43 WeakPolarHBondContact O-CD 3.37Å
42L34.8Very low36.3Very low130 Ų130113.3 Ų113.368%0.68162%0.621SS**  trans-44.9115.3177-86.676.8000107.8R40 D44R40-L42 PolarHBondContact O-N 3.19Å; L42-D44 PolarHBondContact O-N 3.3Å
43P32.6Very low35.4Very low112 Ų112115.9 Ų115.973%0.72763%0.631SS**  trans-63.9137.4175.523.7-29.8000108.3P41 Y45P41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-Y45 VanDerWaalsContact C-N 3.28Å; P43-Y45 PolarHBondContact O-N 2.9Å
44D28.5Very low34.9Very low107 Ų107122.4 Ų122.457%0.57265%0.649SS**  trans-58.396.3165.3-65.6-42.5000108.3L42 I46L42-D44 PolarHBondContact O-N 3.3Å; D44-I46 PolarHBondContact O-N 3.16Å
45Y36.3Very low34.2Very low62 Ų62124.5 Ų124.524%0.24365%0.653CS.*  trans-32.7101.4152.875.4-38.4000113.1P43 F75 F355P43-Y45 VanDerWaalsContact C-N 3.28Å; P43-Y45 PolarHBondContact O-N 2.9Å; Y45-F75 HydrophobicContact CD2-CB 4.06Å; Y45-F75 AromaticContact CD2-CD1 3.48Å; Y45-F75 HydrophobicContact CD2-CD1 3.48Å; Y45-F75 VanDerWaalsContact CD2-CD1 3.48Å; Y45-F75 HydrophobicContact CD2-CD2 4.49Å; Y45-F75 AromaticContact CD2-CE1 3.97Å; Y45-F75 HydrophobicContact CD2-CE1 3.97Å; Y45-F75 AromaticContact CD2-CG 3.78Å; Y45-F75 HydrophobicContact CD2-CG 3.78Å; Y45-F75 HydrophobicContact CE2-CB 3.43Å; Y45-F75 VanDerWaalsContact CE2-CB 3.43Å; Y45-F75 AromaticContact CE2-CD1 3.28Å; Y45-F75 HydrophobicContact CE2-CD1 3.28Å; Y45-F75 HydrophobicContact CE2-CE1 4.18Å; Y45-F75 AromaticContact CE2-CG 3.56Å; Y45-F75 HydrophobicContact CE2-CG 3.56Å; Y45-F355 AromaticContact CD1-CD1 3.57Å; Y45-F355 HydrophobicContact CD1-CD1 3.57Å; Y45-F355 AromaticContact CD1-CD2 3.97Å; Y45-F355 HydrophobicContact CD1-CD2 3.97Å; Y45-F355 AromaticContact CD1-CE1 2.82Å; Y45-F355 HydrophobicContact CD1-CE1 2.82Å; Y45-F355 AromaticContact CD1-CE2 3.3Å; Y45-F355 HydrophobicContact CD1-CE2 3.3Å; Y45-F355 HydrophobicContact CD1-CG 4.11Å; Y45-F355 AromaticContact CD1-CZ 2.71Å; Y45-F355 HydrophobicContact CD1-CZ 2.71Å; Y45-F355 HydrophobicContact CD2-CD1 4.04Å; Y45-F355 AromaticContact CD2-CE1 3.69Å; Y45-F355 HydrophobicContact CD2-CE1 3.69Å; Y45-F355 HydrophobicContact CD2-CZ 4.4Å; Y45-F355 HydrophobicContact CE1-CB 4.47Å; Y45-F355 AromaticContact CE1-CD1 3.05Å; Y45-F355 HydrophobicContact CE1-CD1 3.05Å; Y45-F355 AromaticContact CE1-CD2 3.15Å; Y45-F355 HydrophobicContact CE1-CD2 3.15Å; Y45-F355 AromaticContact CE1-CE1 2.86Å; Y45-F355 HydrophobicContact CE1-CE1 2.86Å; Y45-F355 AromaticContact CE1-CE2 2.95Å; Y45-F355 HydrophobicContact CE1-CE2 2.95Å; Y45-F355 AromaticContact CE1-CG 3.23Å; Y45-F355 HydrophobicContact CE1-CG 3.23Å; Y45-F355 AromaticContact CE1-CZ 2.86Å; Y45-F355 HydrophobicContact CE1-CZ 2.86Å; Y45-F355 AromaticContact CE2-CD1 3.55Å; Y45-F355 HydrophobicContact CE2-CD1 3.55Å; Y45-F355 AromaticContact CE2-CE1 3.68Å; Y45-F355 HydrophobicContact CE2-CE1 3.68Å; Y45-F355 HydrophobicContact CE2-CG 4.24Å; Y45-F355 HydrophobicContact CE2-CZ 4.45Å; Y45-F355 HydrophobicContact CG-CD1 4.01Å; Y45-F355 AromaticContact CG-CE1 3.24Å; Y45-F355 HydrophobicContact CG-CE1 3.24Å; Y45-F355 HydrophobicContact CG-CE2 4.47Å; Y45-F355 AromaticContact CG-CZ 3.57Å; Y45-F355 HydrophobicContact CG-CZ 3.57Å; Y45-F355 AromaticContact CZ-CD1 2.92Å; Y45-F355 AromaticContact CZ-CD2 3.65Å; Y45-F355 AromaticContact CZ-CE1 3.22Å; Y45-F355 AromaticContact CZ-CE2 3.88Å; Y45-F355 AromaticContact CZ-CG 3.21Å; Y45-F355 AromaticContact CZ-CZ 3.73Å; Y45-F355 WeakPolarHBondContact OH-CA 3.46Å; Y45-F355 WeakPolarHBondContact OH-CB 3.45Å; Y45-F355 WeakPolarHBondContact OH-CD1 3.49Å; Y45-F355 WeakPolarHBondContact OH-CG 3.37Å; Y45-F355 PolarHBondContact OH-N 3.2Å
46I27.1Very low33.5Very low114 Ų114127.2 Ų127.259%0.58565%0.65SS**  trans-101123.4136.6-54.9171.2000103D44 A48 D49D44-I46 PolarHBondContact O-N 3.16Å; I46-A48 VanDerWaalsContact C-N 3.25Å; I46-A48 PolarHBondContact O-N 2.92Å; I46-D49 HydrophobicContact CB-CB 4.19Å; I46-D49 HydrophobicContact CD1-CB 4.46Å; I46-D49 HydrophobicContact CG2-CB 3.69Å
47L35.1Very low33.2Very low85 Ų85129.3 Ų129.345%0.44566%0.655SS.*SBendtrans-47.599.8166.7-85.1159.3000106.5D49 N73 A231L47-D49 PolarHBondContact O-N 3.13Å; L47-N73 HydrophobicContact CD1-CB 4.21Å; L47-A231 HydrophobicContact CD1-CB 4.17Å
48A31.4Very low32.4Very low92 Ų92132.2 Ų132.276%0.7667%0.666SS**  trans9.580.6-169.900000114I46I46-A48 VanDerWaalsContact C-N 3.25Å; I46-A48 PolarHBondContact O-N 2.92Å
49D28Very low32Very low80 Ų80136.3 Ų136.343%0.42868%0.68SS.*  trans-68.2139.4149.9-160-11.1000106.5I46 L47 R51I46-D49 HydrophobicContact CB-CB 4.19Å; I46-D49 HydrophobicContact CD1-CB 4.46Å; I46-D49 HydrophobicContact CG2-CB 3.69Å; L47-D49 PolarHBondContact O-N 3.13Å; D49-R51 PolarHBondContact O-N 3.26Å
50D37.8Very low31.7Very low109 Ų109135 Ų13558%0.58367%0.672SS**THydrogen-bonded Turntrans-6920.1-155.8-126.8-0.8000114.6
51R40Very low31.2Very low221 Ų221136.7 Ų136.783%0.83469%0.687SS**THydrogen-bonded Turntrans-118.8-5.2-171.6-65.8-170.5179.2-167.82.1115.6D49 S53D49-R51 PolarHBondContact O-N 3.26Å; R51-S53 VanDerWaalsContact C-N 3.27Å; R51-S53 PolarHBondContact O-N 3.09Å
52A30.9Very low31.3Very low96 Ų96137.8 Ų137.879%0.79369%0.686SS**  trans-83.311.8179.900000115.2R54A52-R54 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 3.08Å
53S31.6Very low30.9Very low105 Ų105142.3 Ų142.373%0.73470%0.696SS**THydrogen-bonded Turntrans-83.311.4-178.160.10000115.8R51R51-S53 VanDerWaalsContact C-N 3.27Å; R51-S53 PolarHBondContact O-N 3.09Å
54R33.2Very low30.6Very low234 Ų234145.3 Ų145.388%0.88369%0.693SS**THydrogen-bonded Turntrans-93.4-4.7-175.7-93.9-169.5-167.8-168.75.2117.5A52A52-R54 VanDerWaalsContact C-N 3.32Å; A52-R54 PolarHBondContact O-N 3.08Å
55I31Very low30.5Very low128 Ų128145.1 Ų145.166%0.65670%0.697SS**SBendtrans-134.875.7-176.2-44.5-179.9000110.7
56Y27Very low30.2Very low167 Ų167148.7 Ų148.766%0.65572%0.716SS**SBend166.8112.2123.3-93.8-74.2000110.4
57H28.1Very low30.1Very low161 Ų161151 Ų15175%0.74573%0.73SS**  trans57.392.9160.1-65.6-54.7000121.3R59H57-R59 PolarHBondContact O-N 3.37Å
58H30.2Very low30Very low189 Ų189151.5 Ų151.588%0.87574%0.74SS**SBend26.581.7126.1-79.5-52.3000118.4
59R30.5Very low29.9Very low241 Ų241152 Ų15291%0.90974%0.738SS**  trans149.687.4134.4-90.2-175.8179.4177.70.7107H57H57-R59 PolarHBondContact O-N 3.37Å
60L26.9Very low30.3Very low118 Ų118152.9 Ų152.962%0.61875%0.751SS**  trans-168.8100149.4-96.7151.5000103.8L62 E105L60-L62 PolarHBondContact O-N 2.73Å; L60-E105 WeakPolarHBondContact CD2-OE1 3.35Å
61Q23.9Very low30.5Very low201 Ų201152.4 Ų152.494%0.93975%0.752SS**  trans-72.785.7173.6-75.7179.9-21.900106.5Y63Q61-Y63 PolarHBondContact O-N 3.39Å
62L31.9Very low31Very low141 Ų141147.2 Ų147.274%0.73875%0.745SS**PPolyproline II helixtrans-61.9118.2173-77.5158.4000108L60 R64L60-L62 PolarHBondContact O-N 2.73Å; L62-R64 PolarHBondContact O-N 3.38Å
63Y26.4Very low32.3Very low225 Ų225145.7 Ų145.788%0.88272%0.723SS**PPolyproline II helixtrans-57.6126.9178.7-153.2-101.3000109.1Q61 P65Q61-Y63 PolarHBondContact O-N 3.39Å; Y63-P65 WeakPolarHBondContact O-CD 3.42Å
64R26.9Very low34.5Very low176 Ų176143 Ų14366%0.66470%0.702SS**PPolyproline II helixtrans-96.5116.1-177.8170.3-179.4169.2133.9-8109.6L62 E66L62-R64 PolarHBondContact O-N 3.38Å; R64-E66 HydrophobicContact CG-CG 4.08Å; R64-E66 IonicContact CZ-OE1 3.4Å; R64-E66 IonicContact NE-OE1 3.58Å; R64-E66 PolarHBondContact NE-OE1 2.9Å; R64-E66 IonicContact NH2-OE1 2.79Å; R64-E66 PolarHBondContact NH2-OE1 3.15Å
65P27.1Very low36.9Very low103 Ų103133.5 Ų133.567%0.66967%0.667SS**  trans-86.3109.2155.4-2.722.2000108.2Y63 N67Y63-P65 WeakPolarHBondContact O-CD 3.42Å; P65-N67 PolarHBondContact O-N 3.34Å; P65-N67 VanDerWaalsContact O-N 3.11Å
66E28.6Very low39.7Very low136 Ų136127.7 Ų127.764%0.63664%0.638SS**SBendtrans-64.4107.8166.4-71.7-174.3145.500108.8R64R64-E66 HydrophobicContact CG-CG 4.08Å; R64-E66 IonicContact CZ-OE1 3.4Å; R64-E66 IonicContact NE-OE1 3.58Å; R64-E66 PolarHBondContact NE-OE1 2.9Å; R64-E66 IonicContact NH2-OE1 2.79Å; R64-E66 PolarHBondContact NH2-OE1 3.15Å
67N26.7Very low42.7Very low163 Ų163121.2 Ų121.287%0.87261%0.613SS**  trans139.876155.1-70.2-23.1000111.6P65P65-N67 PolarHBondContact O-N 3.34Å; P65-N67 VanDerWaalsContact O-N 3.11Å
68S31.3Very low45.7Very low95 Ų95114.1 Ų114.166%0.66458%0.58SS**  trans-123.9110.9159.9590000109.7S70S68-S70 PolarHBondContact O-N 2.95Å
69S30.6Very low48.5Very low103 Ų103108.3 Ų108.372%0.7256%0.559SS**  trans-56128.5165.551.60000109.6T71S69-T71 PolarHBondContact O-N 2.89Å
70S36.7Very low51.3Low99 Ų9997.5 Ų97.569%0.69252%0.52SS*.  trans-58.395.217651.30000110.7S68 T72S68-S70 PolarHBondContact O-N 2.95Å; S70-T72 PolarHBondContact O-N 3.14Å
71T41.1Very low54.2Low99 Ų9997.9 Ų97.961%0.60752%0.518SS*.  trans-78.6111.1169.639.40000107S69 N73S69-T71 PolarHBondContact O-N 2.89Å; T71-N73 PolarHBondContact O-N 2.65Å
72T51.2Low57.4Low112 Ų11288.6 Ų88.669%0.68748%0.475SS*.  trans-68.181.2173.839.80000109.2S70 T74 P228S70-T72 PolarHBondContact O-N 3.14Å; T72-T74 PolarHBondContact O-N 3.44Å; T72-P228 WeakPolarHBondContact O-CB 3.5Å; T72-P228 WeakPolarHBondContact O-CG 3.43Å
73N56.8Low60.2Low64 Ų6484.8 Ų84.834%0.34246%0.455SS..  trans-62.4135179.1-71.5-15.8000110.5L47 T71 F75 L229L47-N73 HydrophobicContact CD1-CB 4.21Å; T71-N73 PolarHBondContact O-N 2.65Å; N73-F75 PolarHBondContact O-N 3.45Å; N73-L229 WeakPolarHBondContact CA-O 3.06Å; N73-L229 PolarHBondContact OD1-O 2.97Å
74T78.2Confident63.3Low48 Ų4874.7 Ų74.729%0.29442%0.416SS..EExtended strand (participates in β ladder)trans-79.8118.9170-50.30000107.9T72 P225 L229 P230 A231T72-T74 PolarHBondContact O-N 3.44Å; T74-P225 HydrophobicContact CG2-CG 4Å; T74-P225 WeakPolarHBondContact OG1-CG 3.28Å; T74-L229 PolarHBondContact N-O 2.04Å; T74-P230 CarbonylContact O-C 3.57Å; T74-P230 WeakPolarHBondContact O-CA 3.29Å; T74-A231 PolarHBondContact O-N 2.99Å
75F84.8Confident66.4Low34 Ų3467.8 Ų67.815%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-109.6138-178.3-176.6-106.2000111.1Y45 N73 Y77 A231 C233 F355Y45-F75 HydrophobicContact CD2-CB 4.06Å; Y45-F75 AromaticContact CD2-CD1 3.48Å; Y45-F75 HydrophobicContact CD2-CD1 3.48Å; Y45-F75 VanDerWaalsContact CD2-CD1 3.48Å; Y45-F75 HydrophobicContact CD2-CD2 4.49Å; Y45-F75 AromaticContact CD2-CE1 3.97Å; Y45-F75 HydrophobicContact CD2-CE1 3.97Å; Y45-F75 AromaticContact CD2-CG 3.78Å; Y45-F75 HydrophobicContact CD2-CG 3.78Å; Y45-F75 HydrophobicContact CE2-CB 3.43Å; Y45-F75 VanDerWaalsContact CE2-CB 3.43Å; Y45-F75 AromaticContact CE2-CD1 3.28Å; Y45-F75 HydrophobicContact CE2-CD1 3.28Å; Y45-F75 HydrophobicContact CE2-CE1 4.18Å; Y45-F75 AromaticContact CE2-CG 3.56Å; Y45-F75 HydrophobicContact CE2-CG 3.56Å; N73-F75 PolarHBondContact O-N 3.45Å; F75-Y77 HydrophobicContact CE1-CD2 4.45Å; F75-Y77 HydrophobicContact CZ-CD2 4.35Å; F75-A231 CarbonylContact C-O 3.52Å; F75-A231 VanDerWaalsContact CA-O 3.3Å; F75-A231 WeakPolarHBondContact CA-O 3.48Å; F75-A231 HydrophobicContact CD2-CB 4.1Å; F75-C233 HydrophobicContact CE2-CB 4.08Å; F75-C233 WeakPolarHBondContact CE2-SG 3.31Å; F75-C233 HydrophobicContact CZ-CB 3.95Å; F75-F355 HydrophobicContact CD1-CD1 4.41Å
76V88.9Confident69.5Low7 Ų766.7 Ų66.74%0.04238%0.378CS..EExtended strand (participates in β ladder)trans-126.6135.5172.5177.70000109.3I78 V222 L224 A231 I232 C233 V358V76-I78 HydrophobicContact CG1-CD1 4.37Å; V76-I78 HydrophobicContact CG1-CG1 4.16Å; V76-V222 HydrophobicContact CG1-CG1 4.28Å; V76-L224 HydrophobicContact CB-CD2 4.13Å; V76-L224 HydrophobicContact CG2-CD2 3.43Å; V76-L224 VanDerWaalsContact CG2-CD2 3.43Å; V76-A231 PolarHBondContact N-O 2.89Å; V76-I232 HydrophobicContact CB-CD1 4.44Å; V76-I232 HydrophobicContact CB-CG1 4.25Å; V76-I232 HydrophobicContact CG1-CD1 4.28Å; V76-I232 HydrophobicContact CG1-CG1 4.4Å; V76-I232 CarbonylContact O-C 3.36Å; V76-I232 VanDerWaalsContact O-CA 3.29Å; V76-I232 WeakPolarHBondContact O-CA 3.18Å; V76-C233 PolarHBondContact O-N 2.87Å; V76-V358 HydrophobicContact CG1-CG2 4.15Å
77Y90.7Very high72.4Confident31 Ų3163.4 Ų63.412%0.12238%0.375CS..EExtended strand (participates in β ladder)trans-119.2131176.2-174.8-86.8000110.8F75 P79 C233 G235 D244 R278F75-Y77 HydrophobicContact CE1-CD2 4.45Å; F75-Y77 HydrophobicContact CZ-CD2 4.35Å; Y77-P79 HydrophobicContact CD1-CG 4.36Å; Y77-P79 HydrophobicContact CE1-CG 4.11Å; Y77-C233 WeakPolarHBondContact CA-O 3.11Å; Y77-C233 HydrophobicContact CD2-CB 4.07Å; Y77-G235 VanDerWaalsContact OH-C 3.26Å; Y77-G235 PolarHBondContact OH-O 3.46Å; Y77-D244 WeakPolarHBondContact CE2-OD1 3.07Å; Y77-D244 PolarHBondContact OH-OD1 2.82Å; Y77-R278 PolarHBondContact OH-NH2 2.9Å; Y77-R278 VanDerWaalsContact OH-NH2 3.1Å
78I89.8Confident75.6Confident11 Ų1156 Ų566%0.05634%0.335CS..EExtended strand (participates in β ladder)trans-125111.8-179.6-60.8-177.1000110.1V76 T80 F219 V222 I232 C233 S234 G235V76-I78 HydrophobicContact CG1-CD1 4.37Å; V76-I78 HydrophobicContact CG1-CG1 4.16Å; I78-T80 PolarHBondContact O-N 3.1Å; I78-T80 VanDerWaalsContact O-N 3.16Å; I78-T80 PolarHBondContact O-OG1 2.69Å; I78-T80 VanDerWaalsContact O-OG1 3.09Å; I78-F219 HydrophobicContact CB-CB 4.21Å; I78-F219 HydrophobicContact CD1-CB 3.42Å; I78-F219 VanDerWaalsContact CD1-CB 3.42Å; I78-F219 HydrophobicContact CD1-CG 4.07Å; I78-F219 HydrophobicContact CG1-CB 4.37Å; I78-F219 HydrophobicContact CG2-CB 3.97Å; I78-V222 HydrophobicContact CD1-CG2 3.4Å; I78-I232 HydrophobicContact CD1-CD1 3.96Å; I78-C233 PolarHBondContact N-O 3.45Å; I78-S234 WeakPolarHBondContact O-CA 3.43Å; I78-S234 WeakPolarHBondContact O-CB 3.02Å; I78-G235 PolarHBondContact O-N 2.91Å
79P90.2Very high78.5Confident67 Ų6751.5 Ų51.544%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-58.2120.8177.8-23.133.1000111.5Y77 G235Y77-P79 HydrophobicContact CD1-CG 4.36Å; Y77-P79 HydrophobicContact CE1-CG 4.11Å; P79-G235 WeakPolarHBondContact CA-O 3.49Å
80T88.9Confident81.4Confident14 Ų1449.7 Ų49.79%0.08629%0.291CS..  trans-143.3135.6-176-54.90000109.9I78 F82 V218 S234 G235 R236I78-T80 PolarHBondContact O-N 3.1Å; I78-T80 VanDerWaalsContact O-N 3.16Å; I78-T80 PolarHBondContact O-OG1 2.69Å; I78-T80 VanDerWaalsContact O-OG1 3.09Å; T80-F82 HydrophobicContact CG2-CD1 4.13Å; T80-F82 HydrophobicContact CG2-CE1 3.56Å; T80-F82 HydrophobicContact CG2-CZ 3.79Å; T80-V218 HydrophobicContact CG2-CG1 4.34Å; T80-V218 PolarHBondContact OG1-O 3.37Å; T80-S234 WeakPolarHBondContact OG1-CB 3.35Å; T80-G235 PolarHBondContact N-O 2.04Å; T80-G235 CarbonylContact O-C 3.53Å; T80-G235 WeakPolarHBondContact O-CA 3.41Å; T80-R236 WeakPolarHBondContact O-CB 3.24Å; T80-R236 PolarHBondContact O-N 3.07Å
81E88.5Confident84.1Confident126 Ų12648 Ų4859%0.58927%0.274SS*.  trans-95130.7176-170.7166.6167.600110.3R236E81-R236 IonicContact OE2-CZ 2.74Å; E81-R236 IonicContact OE2-NH1 2.68Å; E81-R236 PolarHBondContact OE2-NH1 3Å
82F89.7Confident86.5Confident6 Ų643.4 Ų43.43%0.02625%0.245CC..  trans-114.6156.2178.6-57.7-63.6000111.6T80 E84 L154 L184 V218 S234 L245T80-F82 HydrophobicContact CG2-CD1 4.13Å; T80-F82 HydrophobicContact CG2-CE1 3.56Å; T80-F82 HydrophobicContact CG2-CZ 3.79Å; F82-E84 HydrophobicContact CB-CG 3.93Å; F82-L154 HydrophobicContact CB-CD2 3.78Å; F82-L154 HydrophobicContact CD2-CD2 4Å; F82-L154 HydrophobicContact CG-CD2 3.92Å; F82-L184 HydrophobicContact CD1-CD1 4.26Å; F82-V218 HydrophobicContact CE1-CG1 3.91Å; F82-V218 HydrophobicContact CE1-CG2 4.11Å; F82-V218 HydrophobicContact CZ-CG1 3.94Å; F82-S234 WeakPolarHBondContact CE2-O 3.36Å; F82-S234 WeakPolarHBondContact CZ-O 3.27Å; F82-L245 HydrophobicContact CE2-CB 4.19Å; F82-L245 HydrophobicContact CZ-CB 3.92Å
83N90.7Very high88.4Confident61 Ų6140.4 Ų40.433%0.32623%0.225SC..  trans-81.8120.6160.8-66.2-51.9000107.7L155 P157 N159N83-L155 HydrophobicContact CB-CB 4.42Å; N83-L155 PolarHBondContact O-N 3.23Å; N83-P157 WeakPolarHBondContact ND2-CA 3.18Å; N83-N159 WeakPolarHBondContact CB-OD1 3.34Å
84E91Very high89.9Confident13 Ų1345 Ų456%0.06124%0.237CC..BIsolated β-bridgetrans-125.3147.5-166.9-69.4165.1-178.400110.3F82 E86 I89 I153 L154 Y241F82-E84 HydrophobicContact CB-CG 3.93Å; E84-E86 VanDerWaalsContact C-N 3.29Å; E84-E86 PolarHBondContact O-N 3.1Å; E84-I89 HydrophobicContact CB-CD1 3.75Å; E84-I89 HydrophobicContact CG-CD1 4.36Å; E84-I153 CarbonylContact C-O 3.57Å; E84-I153 VanDerWaalsContact CA-O 3.28Å; E84-I153 WeakPolarHBondContact CA-O 3.42Å; E84-L154 HydrophobicContact CG-CD2 4.05Å; E84-Y241 VanDerWaalsContact OE2-CE2 3.23Å; E84-Y241 WeakPolarHBondContact OE2-CE2 3.46Å; E84-Y241 PolarHBondContact OE2-OH 2.96Å
85N92.9Very high90.3Very high31 Ų3153.2 Ų53.217%0.16626%0.263CS..  trans-76.680.4171.8-172.1-12.9000110.4A87 Y88 I89 Q151 P152 I153 L155N85-A87 VanDerWaalsContact C-N 3.27Å; N85-A87 PolarHBondContact O-N 3Å; N85-Y88 WeakPolarHBondContact ND2-CB 3.18Å; N85-Y88 PolarHBondContact O-N 3.27Å; N85-Y88 VanDerWaalsContact O-N 3.16Å; N85-Y88 WeakPolarHBondContact OD1-CB 3.48Å; N85-Y88 PolarHBondContact OD1-N 3.18Å; N85-I89 WeakPolarHBondContact O-CG1 3.39Å; N85-I89 PolarHBondContact O-N 3.11Å; N85-Q151 PolarHBondContact ND2-OE1 3.09Å; N85-P152 WeakPolarHBondContact CB-O 3.37Å; N85-P152 PolarHBondContact ND2-O 2.68Å; N85-P152 VanDerWaalsContact ND2-O 3.13Å; N85-I153 PolarHBondContact N-O 3.07Å; N85-L155 HydrophobicContact CB-CD1 3.97Å; N85-L155 HydrophobicContact CB-CD2 4.42Å; N85-L155 HydrophobicContact CB-CG 4.3Å
86E91.7Very high90.3Very high80 Ų8059.4 Ų59.437%0.37430%0.298SS..Hα-helixtrans-59.1-35.6-174.2-60.9-169.617600113.4E84 S90 K238E84-E86 VanDerWaalsContact C-N 3.29Å; E84-E86 PolarHBondContact O-N 3.1Å; E86-S90 VanDerWaalsContact O-CB 3.3Å; E86-S90 WeakPolarHBondContact O-CB 3.28Å; E86-S90 PolarHBondContact O-N 3.21Å; E86-S90 PolarHBondContact O-OG 3.47Å; E86-K238 WeakPolarHBondContact OE1-CE 3.29Å; E86-K238 IonicContact OE1-NZ 2.83Å; E86-K238 PolarHBondContact OE1-NZ 2.82Å
87A91Very high90.3Very high68 Ų6859.2 Ų59.256%0.56230%0.297SS*.Hα-helixtrans-64.2-46.4177.800000110.8N85 S90 D91N85-A87 VanDerWaalsContact C-N 3.27Å; N85-A87 PolarHBondContact O-N 3Å; A87-S90 WeakPolarHBondContact O-CB 3.4Å; A87-S90 PolarHBondContact O-N 3.31Å; A87-D91 PolarHBondContact O-N 3.44Å; A87-D91 VanDerWaalsContact O-N 3.09Å
88Y92.7Very high90.2Very high8 Ų864.7 Ų64.73%0.03132%0.318CS..Hα-helixtrans-66.1-43.7176.9178.7-120.8000112.4N85 S90 D91 L92 L103 L149 Q151 I153N85-Y88 WeakPolarHBondContact ND2-CB 3.18Å; N85-Y88 PolarHBondContact O-N 3.27Å; N85-Y88 VanDerWaalsContact O-N 3.16Å; N85-Y88 WeakPolarHBondContact OD1-CB 3.48Å; N85-Y88 PolarHBondContact OD1-N 3.18Å; Y88-S90 VanDerWaalsContact C-N 3.29Å; Y88-S90 PolarHBondContact O-N 3.26Å; Y88-D91 WeakPolarHBondContact O-CA 3.17Å; Y88-D91 WeakPolarHBondContact O-CB 3.3Å; Y88-D91 PolarHBondContact O-N 3.12Å; Y88-D91 VanDerWaalsContact O-N 3.08Å; Y88-L92 HydrophobicContact CD1-CD1 4.2Å; Y88-L92 HydrophobicContact CE1-CD1 3.64Å; Y88-L92 HydrophobicContact CE1-CG 4.13Å; Y88-L92 HydrophobicContact CE2-CD1 4.48Å; Y88-L92 HydrophobicContact CE2-CD2 3.98Å; Y88-L92 HydrophobicContact CE2-CG 4.09Å; Y88-L92 WeakPolarHBondContact O-CG 3.41Å; Y88-L92 PolarHBondContact O-N 2.95Å; Y88-L103 WeakPolarHBondContact OH-CD1 3.3Å; Y88-L149 PolarHBondContact OH-O 3.12Å; Y88-Q151 HydrophobicContact CD1-CB 3.96Å; Y88-Q151 HydrophobicContact CD2-CB 3.94Å; Y88-Q151 HydrophobicContact CD2-CG 4.11Å; Y88-Q151 HydrophobicContact CE1-CB 4.1Å; Y88-Q151 HydrophobicContact CE2-CB 4.1Å; Y88-Q151 HydrophobicContact CE2-CG 4.27Å; Y88-Q151 HydrophobicContact CG-CB 3.89Å; Y88-Q151 HydrophobicContact CG-CG 4.48Å; Y88-I153 HydrophobicContact CD1-CG1 4Å; Y88-I153 HydrophobicContact CE1-CD1 4.46Å; Y88-I153 HydrophobicContact CE1-CG1 3.74Å
89I92.9Very high90.2Very high0 Ų066 Ų660%033%0.326CS..Hα-helixtrans-61-41.3176.4-67.2162.2000110.9E84 N85 D91 L92 L93 I153 Y241 V243 L276E84-I89 HydrophobicContact CB-CD1 3.75Å; E84-I89 HydrophobicContact CG-CD1 4.36Å; N85-I89 WeakPolarHBondContact O-CG1 3.39Å; N85-I89 PolarHBondContact O-N 3.11Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.25Å; I89-L92 WeakPolarHBondContact O-CB 3.36Å; I89-L92 PolarHBondContact O-N 3.17Å; I89-L93 HydrophobicContact CG2-CD1 3.87Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.41Å; I89-L93 PolarHBondContact O-N 2.92Å; I89-I153 HydrophobicContact CD1-CG2 4.35Å; I89-I153 HydrophobicContact CG1-CG2 4.45Å; I89-Y241 HydrophobicContact CD1-CE2 3.78Å; I89-Y241 HydrophobicContact CG2-CD1 4.04Å; I89-Y241 HydrophobicContact CG2-CD2 3.83Å; I89-Y241 HydrophobicContact CG2-CE1 3.95Å; I89-Y241 HydrophobicContact CG2-CE2 3.76Å; I89-Y241 HydrophobicContact CG2-CG 3.97Å; I89-V243 HydrophobicContact CD1-CG2 3.78Å; I89-V243 HydrophobicContact CG1-CG2 4.42Å; I89-L276 HydrophobicContact CG2-CD1 3.96Å
90S91.9Very high90.3Very high65 Ų6562.8 Ų62.846%0.45531%0.306SS..Hα-helixtrans-59.6-40.1175.3-61.70000111.4E86 A87 Y88 L93 R94E86-S90 VanDerWaalsContact O-CB 3.3Å; E86-S90 WeakPolarHBondContact O-CB 3.28Å; E86-S90 PolarHBondContact O-N 3.21Å; E86-S90 PolarHBondContact O-OG 3.47Å; A87-S90 WeakPolarHBondContact O-CB 3.4Å; A87-S90 PolarHBondContact O-N 3.31Å; Y88-S90 VanDerWaalsContact C-N 3.29Å; Y88-S90 PolarHBondContact O-N 3.26Å; S90-L93 PolarHBondContact O-N 3.46Å; S90-R94 WeakPolarHBondContact O-CG 3.3Å; S90-R94 PolarHBondContact O-N 3.5Å; S90-R94 VanDerWaalsContact O-N 3.15Å
91D91.7Very high90.3Very high64 Ų6464 Ų6434%0.34232%0.317SS..Hα-helixtrans-66.8-39175.8-74-7.6000112.6A87 Y88 I89 L93 R94A87-D91 PolarHBondContact O-N 3.44Å; A87-D91 VanDerWaalsContact O-N 3.09Å; Y88-D91 WeakPolarHBondContact O-CA 3.17Å; Y88-D91 WeakPolarHBondContact O-CB 3.3Å; Y88-D91 PolarHBondContact O-N 3.12Å; Y88-D91 VanDerWaalsContact O-N 3.08Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.25Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 2.87Å; D91-R94 WeakPolarHBondContact O-CB 3.44Å; D91-R94 PolarHBondContact O-N 2.9Å; D91-R94 IonicContact OD1-CZ 2.98Å; D91-R94 IonicContact OD1-NE 3.8Å; D91-R94 PolarHBondContact OD1-NE 3.24Å; D91-R94 IonicContact OD1-NH2 2.69Å; D91-R94 PolarHBondContact OD1-NH2 3.2Å
92L92.3Very high90.3Very high1 Ų160.3 Ų60.31%0.00530%0.301CS..Hα-helixtrans-62.7-37.3173.4-68.7-174.7000112.6Y88 I89 R94 G97 V99 A100 L103 L276 I282Y88-L92 HydrophobicContact CD1-CD1 4.2Å; Y88-L92 HydrophobicContact CE1-CD1 3.64Å; Y88-L92 HydrophobicContact CE1-CG 4.13Å; Y88-L92 HydrophobicContact CE2-CD1 4.48Å; Y88-L92 HydrophobicContact CE2-CD2 3.98Å; Y88-L92 HydrophobicContact CE2-CG 4.09Å; Y88-L92 WeakPolarHBondContact O-CG 3.41Å; Y88-L92 PolarHBondContact O-N 2.95Å; I89-L92 WeakPolarHBondContact O-CB 3.36Å; I89-L92 PolarHBondContact O-N 3.17Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-G97 VanDerWaalsContact O-CA 3.3Å; L92-G97 WeakPolarHBondContact O-CA 3.43Å; L92-V99 HydrophobicContact CD2-CB 4.19Å; L92-V99 HydrophobicContact CD2-CG1 3.63Å; L92-A100 HydrophobicContact CB-CB 4.31Å; L92-L103 HydrophobicContact CD1-CD1 4.44Å; L92-L103 HydrophobicContact CD2-CD1 3.55Å; L92-L276 HydrophobicContact CB-CD2 4.18Å; L92-I282 HydrophobicContact CD1-CB 4.08Å; L92-I282 HydrophobicContact CD1-CD1 3.84Å; L92-I282 HydrophobicContact CD1-CG2 4.02Å
93L90.8Very high90.3Very high49 Ų4960 Ų6026%0.25730%0.3SS..Hα-helixtrans-78.8-11.8179.1-69.4171.8000113.6I89 S90 D91 N96 G97 Y241 L276I89-L93 HydrophobicContact CG2-CD1 3.87Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.41Å; I89-L93 PolarHBondContact O-N 2.92Å; S90-L93 PolarHBondContact O-N 3.46Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 2.87Å; L93-N96 PolarHBondContact O-N 2.89Å; L93-G97 PolarHBondContact O-N 3.19Å; L93-Y241 HydrophobicContact CD1-CD1 3.97Å; L93-Y241 HydrophobicContact CD1-CG 4.06Å; L93-L276 HydrophobicContact CD2-CD1 4.44Å; L93-L276 HydrophobicContact CD2-CD2 3.74Å; L93-L276 HydrophobicContact CD2-CG 4.2Å; L93-L276 HydrophobicContact CG-CD2 4.07Å
94R88.6Confident90.2Very high160 Ų16058.5 Ų58.560%0.60429%0.294SS*.Hα-helixtrans-55.9148.7175.6-71.2-179.1-171.4-164.15110.6S90 D91 L92 N96 G97S90-R94 WeakPolarHBondContact O-CG 3.3Å; S90-R94 PolarHBondContact O-N 3.5Å; S90-R94 VanDerWaalsContact O-N 3.15Å; D91-R94 WeakPolarHBondContact O-CB 3.44Å; D91-R94 PolarHBondContact O-N 2.9Å; D91-R94 IonicContact OD1-CZ 2.98Å; D91-R94 IonicContact OD1-NE 3.8Å; D91-R94 PolarHBondContact OD1-NE 3.24Å; D91-R94 IonicContact OD1-NH2 2.69Å; D91-R94 PolarHBondContact OD1-NH2 3.2Å; L92-R94 VanDerWaalsContact C-N 3.33Å; R94-N96 VanDerWaalsContact C-N 3.28Å; R94-N96 PolarHBondContact O-N 3.34Å; R94-G97 PolarHBondContact O-N 3.32Å
95R87.5Confident90Very high221 Ų22162.7 Ų62.783%0.83431%0.314SS*.Hα-helixtrans52.446.1178.1-55.8175.8-179.6-104.50.7111.9G97 Y98R95-G97 PolarHBondContact O-N 3.38Å; R95-Y98 PolarHBondContact O-N 2.9Å
96N85.2Confident89.5Confident165 Ų16562.4 Ų62.488%0.88231%0.311SS*.Hα-helixtrans60.137.3-179.7-59.1-19.6000114.5L93 R94L93-N96 PolarHBondContact O-N 2.89Å; R94-N96 VanDerWaalsContact C-N 3.28Å; R94-N96 PolarHBondContact O-N 3.34Å
97G87.4Confident89.2Confident2 Ų258.8 Ų58.82%0.02129%0.294CS..Hα-helixtrans78.917.9177.800000114.6L92 L93 R94 R95 V99 A100 A101L92-G97 VanDerWaalsContact O-CA 3.3Å; L92-G97 WeakPolarHBondContact O-CA 3.43Å; L93-G97 PolarHBondContact O-N 3.19Å; R94-G97 PolarHBondContact O-N 3.32Å; R95-G97 PolarHBondContact O-N 3.38Å; G97-V99 VanDerWaalsContact C-N 3.27Å; G97-V99 PolarHBondContact O-N 2.81Å; G97-A100 WeakPolarHBondContact O-CB 3.43Å; G97-A100 PolarHBondContact O-N 2.93Å; G97-A100 VanDerWaalsContact O-N 3.1Å; G97-A101 PolarHBondContact O-N 2.85Å
98Y89.5Confident88.7Confident147 Ų14758.9 Ų58.958%0.57630%0.295SS*.Hα-helixtrans-54.8-42.5-177.2175.7-105.8000112.8R95 A101 I102R95-Y98 PolarHBondContact O-N 2.9Å; Y98-A101 PolarHBondContact O-N 2.9Å; Y98-I102 HydrophobicContact CD1-CD1 3.91Å; Y98-I102 HydrophobicContact CE1-CD1 3.35Å; Y98-I102 HydrophobicContact CE1-CG1 4.47Å; Y98-I102 HydrophobicContact CE2-CD1 4.17Å; Y98-I102 WeakPolarHBondContact O-CG1 3.46Å; Y98-I102 PolarHBondContact O-N 2.82Å; Y98-I102 VanDerWaalsContact O-N 3.16Å
99V89.9Confident87.8Confident37 Ų3762 Ų6222%0.22431%0.312CS..Hα-helixtrans-70-40.2178.8-176.80000110.9L92 G97 A101 I102 L103 L149L92-V99 HydrophobicContact CD2-CB 4.19Å; L92-V99 HydrophobicContact CD2-CG1 3.63Å; G97-V99 VanDerWaalsContact C-N 3.27Å; G97-V99 PolarHBondContact O-N 2.81Å; V99-A101 VanDerWaalsContact C-N 3.28Å; V99-A101 PolarHBondContact O-N 3.42Å; V99-I102 PolarHBondContact O-N 3.48Å; V99-L103 PolarHBondContact O-N 2.75Å; V99-L149 HydrophobicContact CG1-CD2 3.59Å
100A91.5Very high86.4Confident0 Ų068 Ų680%034%0.34CS..Hα-helixtrans-60.6-38.3174.600000112.2L92 G97 L103 S104 L276 F280 I282L92-A100 HydrophobicContact CB-CB 4.31Å; G97-A100 WeakPolarHBondContact O-CB 3.43Å; G97-A100 PolarHBondContact O-N 2.93Å; G97-A100 VanDerWaalsContact O-N 3.1Å; A100-L103 PolarHBondContact O-N 3.23Å; A100-S104 WeakPolarHBondContact O-CB 3.33Å; A100-S104 PolarHBondContact O-N 3.21Å; A100-L276 HydrophobicContact CB-CD2 4.06Å; A100-F280 HydrophobicContact CB-CB 3.84Å; A100-F280 HydrophobicContact CB-CD1 4.46Å; A100-F280 HydrophobicContact CB-CD2 3.86Å; A100-F280 HydrophobicContact CB-CG 3.8Å; A100-I282 HydrophobicContact CB-CG2 3.92Å
101A90.3Very high85Confident39 Ų3968.8 Ų68.832%0.32235%0.351SS..Hα-helixtrans-64.6-43.9176.100000112.2G97 Y98 V99 S104 E105 F280G97-A101 PolarHBondContact O-N 2.85Å; Y98-A101 PolarHBondContact O-N 2.9Å; V99-A101 VanDerWaalsContact C-N 3.28Å; V99-A101 PolarHBondContact O-N 3.42Å; A101-S104 PolarHBondContact O-N 2.89Å; A101-E105 PolarHBondContact O-N 2.92Å; A101-F280 HydrophobicContact CB-CD1 4.11Å; A101-F280 HydrophobicContact CB-CE1 3.81Å
102I88.2Confident83.5Confident49 Ų4966.1 Ų66.125%0.25134%0.336SS..Hα-helixtrans-59.9-46.6175.3-69.7168.4000111Y98 V99 S104 E105 E106 L145Y98-I102 HydrophobicContact CD1-CD1 3.91Å; Y98-I102 HydrophobicContact CE1-CD1 3.35Å; Y98-I102 HydrophobicContact CE1-CG1 4.47Å; Y98-I102 HydrophobicContact CE2-CD1 4.17Å; Y98-I102 WeakPolarHBondContact O-CG1 3.46Å; Y98-I102 PolarHBondContact O-N 2.82Å; Y98-I102 VanDerWaalsContact O-N 3.16Å; V99-I102 PolarHBondContact O-N 3.48Å; I102-S104 VanDerWaalsContact C-N 3.28Å; I102-S104 PolarHBondContact O-N 3.29Å; I102-E105 PolarHBondContact O-N 2.88Å; I102-E106 PolarHBondContact O-N 3.18Å; I102-L145 HydrophobicContact CG2-CD1 3.8Å; I102-L145 HydrophobicContact CG2-CD2 3.52Å; I102-L145 HydrophobicContact CG2-CG 4.32Å
103L88.1Confident82.2Confident0 Ų067.4 Ų67.40%034%0.342CS..Hα-helixtrans-60.7-40.4176.7-76.4175.3000111.8Y88 L92 V99 A100 E105 E106 F107 L145 L149Y88-L103 WeakPolarHBondContact OH-CD1 3.3Å; L92-L103 HydrophobicContact CD1-CD1 4.44Å; L92-L103 HydrophobicContact CD2-CD1 3.55Å; V99-L103 PolarHBondContact O-N 2.75Å; A100-L103 PolarHBondContact O-N 3.23Å; L103-E105 VanDerWaalsContact C-N 3.27Å; L103-E105 PolarHBondContact O-N 2.86Å; L103-E106 PolarHBondContact O-N 2.95Å; L103-F107 HydrophobicContact CB-CD2 4.25Å; L103-F107 HydrophobicContact CB-CE2 4.03Å; L103-F107 HydrophobicContact CD2-CE2 4.02Å; L103-F107 HydrophobicContact CD2-CZ 4.43Å; L103-F107 WeakPolarHBondContact O-CD2 3.32Å; L103-F107 WeakPolarHBondContact O-CG 3.37Å; L103-F107 PolarHBondContact O-N 3Å; L103-L145 HydrophobicContact CD2-CD1 3.91Å; L103-L149 HydrophobicContact CD2-CB 4.19Å
104S90Very high80.9Confident29 Ų2970.2 Ų70.220%0.20336%0.363CS..Hα-helixtrans-64.7-31.7178.5-166.30000113.2A100 A101 I102 A108 V281A100-S104 WeakPolarHBondContact O-CB 3.33Å; A100-S104 PolarHBondContact O-N 3.21Å; A101-S104 PolarHBondContact O-N 2.89Å; I102-S104 VanDerWaalsContact C-N 3.28Å; I102-S104 PolarHBondContact O-N 3.29Å; S104-A108 PolarHBondContact O-N 3.43Å; S104-V281 WeakPolarHBondContact CA-O 3.43Å; S104-V281 PolarHBondContact N-O 2.81Å; S104-V281 PolarHBondContact OG-N 2.58Å; S104-V281 VanDerWaalsContact OG-N 3.08Å
105E85.9Confident79.9Confident102 Ų10267 Ų6748%0.47736%0.358SS..Hα-helixtrans-72.3-43.1173.5-172.3173.5-175.100111.2L60 A101 I102 L103 F107 A108L60-E105 WeakPolarHBondContact CD2-OE1 3.35Å; A101-E105 PolarHBondContact O-N 2.92Å; I102-E105 PolarHBondContact O-N 2.88Å; L103-E105 VanDerWaalsContact C-N 3.27Å; L103-E105 PolarHBondContact O-N 2.86Å; E105-F107 VanDerWaalsContact C-N 3.33Å; E105-F107 PolarHBondContact O-N 3.49Å; E105-A108 VanDerWaalsContact O-CB 3.25Å; E105-A108 WeakPolarHBondContact O-CB 3.23Å; E105-A108 PolarHBondContact O-N 2.76Å
106E83.3Confident79.1Confident25 Ų2560.1 Ų60.112%0.11734%0.342CS..Hα-helixtrans-59.1-44.5174.5-175.874.2-170.300111.1I102 L103 A108 L112 S140 H144 L145I102-E106 PolarHBondContact O-N 3.18Å; L103-E106 PolarHBondContact O-N 2.95Å; E106-A108 PolarHBondContact O-N 2.77Å; E106-L112 HydrophobicContact CG-CD1 4.25Å; E106-L112 WeakPolarHBondContact O-CD1 3.4Å; E106-S140 WeakPolarHBondContact OE1-CB 3.49Å; E106-S140 PolarHBondContact OE1-OG 2.96Å; E106-H144 IonicContact OE2-CD2 2.65Å; E106-L145 HydrophobicContact CB-CD1 3.89Å; E106-L145 HydrophobicContact CG-CD1 4.03Å
107F85.1Confident78.8Confident4 Ų453.1 Ų53.12%0.01831%0.305CS..THydrogen-bonded Turntrans-77.5-0.5-179.5-65.1-50.4000115.1L103 E105 D109 F113 Y150 V281 I282 R284L103-F107 HydrophobicContact CB-CD2 4.25Å; L103-F107 HydrophobicContact CB-CE2 4.03Å; L103-F107 HydrophobicContact CD2-CE2 4.02Å; L103-F107 HydrophobicContact CD2-CZ 4.43Å; L103-F107 WeakPolarHBondContact O-CD2 3.32Å; L103-F107 WeakPolarHBondContact O-CG 3.37Å; L103-F107 PolarHBondContact O-N 3Å; E105-F107 VanDerWaalsContact C-N 3.33Å; E105-F107 PolarHBondContact O-N 3.49Å; F107-D109 VanDerWaalsContact C-N 3.28Å; F107-F113 AromaticContact CD1-CZ 3.84Å; F107-F113 HydrophobicContact CD1-CZ 3.84Å; F107-F113 HydrophobicContact CE1-CE1 4.5Å; F107-F113 HydrophobicContact CE1-CZ 4.09Å; F107-Y150 HydrophobicContact CE1-CD1 4.45Å; F107-Y150 AromaticContact CE1-CE1 3.94Å; F107-Y150 HydrophobicContact CE1-CE1 3.94Å; F107-Y150 AromaticContact CZ-CD1 3.97Å; F107-Y150 HydrophobicContact CZ-CD1 3.97Å; F107-Y150 AromaticContact CZ-CE1 3.68Å; F107-Y150 HydrophobicContact CZ-CE1 3.68Å; F107-V281 HydrophobicContact CB-CG1 4Å; F107-V281 WeakPolarHBondContact CD2-O 3.49Å; F107-I282 VanDerWaalsContact CE2-C 3.44Å; F107-I282 WeakPolarHBondContact CE2-O 2.91Å; F107-R284 HydrophobicContact CB-CB 3.99Å; F107-R284 HydrophobicContact CD1-CB 3.94Å; F107-R284 HydrophobicContact CG-CB 4.05Å; F107-R284 VanDerWaalsContact O-CD 3.28Å; F107-R284 WeakPolarHBondContact O-CD 3.41Å; F107-R284 PolarHBondContact O-NH1 2.84Å; F107-R284 VanDerWaalsContact O-NH1 3.1Å
108A80.7Confident78.8Confident70 Ų7053.6 Ų53.658%0.57931%0.307SS*.THydrogen-bonded Turntrans-69.5-28.9173.400000111.8S104 E105 E106S104-A108 PolarHBondContact O-N 3.43Å; E105-A108 VanDerWaalsContact O-CB 3.25Å; E105-A108 WeakPolarHBondContact O-CB 3.23Å; E105-A108 PolarHBondContact O-N 2.76Å; E106-A108 PolarHBondContact O-N 2.77Å
109D72.2Confident78.8Confident74 Ų7448.9 Ų48.940%0.39630%0.295SS..  trans-84.5120.3178.5-169.3-5.7000111.7F107 A111 L112F107-D109 VanDerWaalsContact C-N 3.28Å; D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 VanDerWaalsContact OD1-CB 3.31Å; D109-A111 WeakPolarHBondContact OD1-CB 3.44Å; D109-A111 PolarHBondContact OD1-N 3.06Å; D109-L112 HydrophobicContact CB-CD1 3.96Å; D109-L112 HydrophobicContact CB-CD2 4.42Å; D109-L112 HydrophobicContact CB-CG 3.92Å
110E64.6Low78.7Confident124 Ų12448.9 Ų48.958%0.57930%0.296SS*.G310 helixtrans-74-22.7177.2-69-167.2166.800113.1L112 R284E110-L112 PolarHBondContact O-N 2.9Å; E110-L112 VanDerWaalsContact O-N 3.08Å; E110-R284 IonicContact OE1-CZ 2.86Å; E110-R284 IonicContact OE1-NH2 3.93Å; E110-R284 PolarHBondContact OE1-NH2 2.96Å
111A62.7Low78.5Confident82 Ų8251.6 Ų51.668%0.67831%0.313SS*.G310 helixtrans-72.1-1.1-173.800000114D109D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 VanDerWaalsContact OD1-CB 3.31Å; D109-A111 WeakPolarHBondContact OD1-CB 3.44Å; D109-A111 PolarHBondContact OD1-N 3.06Å
112L60.2Low78.2Confident8 Ų851.7 Ų51.74%0.04231%0.311CS..G310 helixtrans-83.7-10.5-169.5-59.2-178.2000115E106 D109 E110 P114 S140 Q142E106-L112 HydrophobicContact CG-CD1 4.25Å; E106-L112 WeakPolarHBondContact O-CD1 3.4Å; D109-L112 HydrophobicContact CB-CD1 3.96Å; D109-L112 HydrophobicContact CB-CD2 4.42Å; D109-L112 HydrophobicContact CB-CG 3.92Å; E110-L112 PolarHBondContact O-N 2.9Å; E110-L112 VanDerWaalsContact O-N 3.08Å; L112-P114 VanDerWaalsContact O-CD 3.3Å; L112-P114 WeakPolarHBondContact O-CD 3.3Å; L112-S140 WeakPolarHBondContact CD2-OG 3.19Å; L112-Q142 HydrophobicContact CD2-CG 4.2Å
113F65.5Low77.9Confident29 Ų2951 Ų5113%0.12732%0.315CS..  trans-114.396.5-169.5-56.1-73.1000113F107 Q138 R284 P286F107-F113 AromaticContact CD1-CZ 3.84Å; F107-F113 HydrophobicContact CD1-CZ 3.84Å; F107-F113 HydrophobicContact CE1-CE1 4.5Å; F107-F113 HydrophobicContact CE1-CZ 4.09Å; F113-Q138 HydrophobicContact CD1-CB 3.99Å; F113-Q138 HydrophobicContact CE1-CB 4.11Å; F113-R284 WeakPolarHBondContact CE1-O 3.24Å; F113-R284 HydrophobicContact CE2-CB 4.17Å; F113-R284 HydrophobicContact CE2-CG 4.09Å; F113-R284 HydrophobicContact CZ-CB 3.99Å; F113-R284 HydrophobicContact CZ-CG 4.4Å; F113-R284 WeakPolarHBondContact CZ-O 3.45Å; F113-P286 HydrophobicContact CB-CB 3.66Å; F113-P286 HydrophobicContact CB-CG 3.83Å; F113-P286 HydrophobicContact CD1-CG 4.44Å; F113-P286 HydrophobicContact CG-CB 4.32Å; F113-P286 HydrophobicContact CG-CG 4.27Å
114P62.3Low77.7Confident107 Ų10757.1 Ų57.170%0.69534%0.339SS*.  trans-77.1-27.8-17628.7-34.6000114L112L112-P114 VanDerWaalsContact O-CD 3.3Å; L112-P114 WeakPolarHBondContact O-CD 3.3Å
115N68.7Low77.5Confident94 Ų9455.9 Ų55.950%0.50333%0.33SS..SBendtrans-114.4131.3-170.4-65.1-27.6000111.2T117 P286N115-T117 PolarHBondContact O-N 3.44Å; N115-P286 WeakPolarHBondContact O-CG 3.36Å
116P69.6Low77.5Confident76 Ų7653.6 Ų53.649%0.49433%0.325SS..  trans-66.3128174.728-33.1000110.2
117T79.6Confident77.7Confident18 Ų1855.9 Ų55.911%0.1134%0.338CS..  trans-91.9-8.9175.451.60000113N115 G133 Q138 P286N115-T117 PolarHBondContact O-N 3.44Å; T117-G133 WeakPolarHBondContact O-CA 3.42Å; T117-Q138 HydrophobicContact CG2-CG 3.74Å; T117-P286 HydrophobicContact CG2-CG 3.77Å; T117-P286 WeakPolarHBondContact OG1-CD 3.48Å
118F88Confident77.9Confident12 Ų1258.6 Ų58.65%0.05336%0.356CS..EExtended strand (participates in β ladder)trans-114.9134.8-180-78.8-100.6000110.6C132 G133 L135 F165 I272 Y285 F288F118-C132 CarbonylContact C-O 3.58Å; F118-C132 VanDerWaalsContact CA-O 3.29Å; F118-C132 WeakPolarHBondContact CA-O 3.35Å; F118-G133 VanDerWaalsContact CD1-N 3.31Å; F118-G133 VanDerWaalsContact CE1-N 3.28Å; F118-L135 HydrophobicContact CZ-CD2 4.28Å; F118-F165 AromaticContact CE1-CD1 3.89Å; F118-F165 HydrophobicContact CE1-CD1 3.89Å; F118-F165 WeakPolarHBondContact CE1-O 3.35Å; F118-F165 HydrophobicContact CZ-CD1 4.01Å; F118-I272 HydrophobicContact CD1-CD1 4.16Å; F118-I272 HydrophobicContact CD2-CD1 4.25Å; F118-I272 HydrophobicContact CE1-CD1 3.46Å; F118-I272 VanDerWaalsContact CE1-CD1 3.46Å; F118-I272 HydrophobicContact CE2-CD1 3.58Å; F118-I272 HydrophobicContact CZ-CD1 3.15Å; F118-Y285 HydrophobicContact CE2-CG 4.34Å; F118-F288 HydrophobicContact CB-CB 3.83Å; F118-F288 HydrophobicContact CB-CD1 3.78Å; F118-F288 HydrophobicContact CB-CD2 4.46Å; F118-F288 HydrophobicContact CB-CG 3.75Å; F118-F288 HydrophobicContact CD1-CD1 4.36Å; F118-F288 HydrophobicContact CD1-CE1 4.3Å; F118-F288 HydrophobicContact CD2-CD1 4.04Å; F118-F288 HydrophobicContact CD2-CE1 4.42Å; F118-F288 AromaticContact CG-CD1 3.79Å; F118-F288 HydrophobicContact CG-CD1 3.79Å; F118-F288 HydrophobicContact CG-CE1 4.14Å; F118-F288 HydrophobicContact CG-CG 4.25Å
119S87.7Confident78.4Confident47 Ų4755.4 Ų55.433%0.32933%0.329SS..EExtended strand (participates in β ladder)trans-112.4134.3170.9-1760000109.6C131 C132S119-C131 CarbonylContact O-C 3.56Å; S119-C131 VanDerWaalsContact O-CA 3.31Å; S119-C131 WeakPolarHBondContact O-CA 3.3Å; S119-C132 PolarHBondContact N-O 3.36Å; S119-C132 PolarHBondContact O-N 3.03Å
120C88.7Confident79.2Confident37 Ų3753.6 Ų53.625%0.2532%0.319CS..EExtended strand (participates in β ladder)trans-112.7135.9-177-60.90000111.2I130 C131 F290C120-I130 CarbonylContact C-O 3.55Å; C120-I130 VanDerWaalsContact CA-O 3.29Å; C120-I130 WeakPolarHBondContact CA-O 3.04Å; C120-C131 HydrophobicContact CB-CB 4.13Å; C120-C131 WeakPolarHBondContact CB-SG 3.43Å; C120-C131 WeakPolarHBondContact SG-CB 3.48Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.16Å; C120-F290 HydrophobicContact CB-CB 3.82Å
121T86.7Confident80.5Confident57 Ų5747.7 Ų47.735%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-118.4113.8167-58.90000108.2C129 I130T121-C129 WeakPolarHBondContact O-CA 3.41Å; T121-C129 PolarHBondContact O-SG 3.27Å; T121-I130 PolarHBondContact N-O 2.97Å; T121-I130 PolarHBondContact O-N 2.88Å
122C84.6Confident81.9Confident42 Ų4243.9 Ų43.928%0.28426%0.26SS..EExtended strand (participates in β ladder)trans-109.5144.5179.5-54.60000111.8C129 F290 A292C122-C129 WeakPolarHBondContact CA-SG 3.22Å; C122-C129 HydrophobicContact CB-CB 3.65Å; C122-C129 WeakPolarHBondContact CB-SG 2.98Å; C122-C129 WeakPolarHBondContact SG-CB 3.48Å; C122-C129 CovalentContact SG-SG 2.04Å; C122-C129 PolarHBondContact SG-SG 2.9Å; C122-F290 VanDerWaalsContact SG-CB 3.57Å; C122-F290 VanDerWaalsContact SG-CD2 3.5Å; C122-A292 HydrophobicContact CB-CB 4.49Å
123G80.9Confident83.4Confident33 Ų3343.7 Ų43.734%0.3426%0.26SS..  trans-84.2-150.2159.800000112P128G123-P128 PolarHBondContact N-O 2.89Å
124R85.1Confident84.6Confident130 Ų13045.1 Ų45.149%0.49127%0.269SS..BIsolated β-bridgetrans-74.9173.9174.4-58.1177.4-176.5169.8-2.1111.9S126 D127 H293R124-S126 PolarHBondContact O-N 3.32Å; R124-D127 WeakPolarHBondContact CB-OD2 3.31Å; R124-D127 PolarHBondContact N-OD2 3.39Å; R124-D127 VanDerWaalsContact O-CB 3.31Å; R124-D127 WeakPolarHBondContact O-CB 3.4Å; R124-D127 PolarHBondContact O-N 2.95Å; R124-H293 CarbonylContact C-O 3.57Å; R124-H293 WeakPolarHBondContact CA-O 3.42Å
125V84.7Confident85.9Confident3 Ų340 Ų402%0.01824%0.236CC..THydrogen-bonded Turntrans-53.9131.9164177.50000108.9D127 Y171 P173 Y254 F266 A292 H293V125-D127 VanDerWaalsContact C-N 3.26Å; V125-D127 PolarHBondContact O-N 3.4Å; V125-Y171 HydrophobicContact CG1-CD1 4.31Å; V125-P173 HydrophobicContact CG1-CG 3.65Å; V125-Y254 HydrophobicContact CG1-CE2 3.96Å; V125-Y254 HydrophobicContact CG2-CE2 4.1Å; V125-F266 HydrophobicContact CG2-CB 4.34Å; V125-A292 WeakPolarHBondContact CG2-O 3.25Å; V125-H293 PolarHBondContact N-O 3.22Å
126S87.6Confident86.8Confident54 Ų5438.3 Ų38.338%0.37822%0.224SC..THydrogen-bonded Turntrans74.9-4.8-171.3-43.60000116.7R124 T170 Y171 P173R124-S126 PolarHBondContact O-N 3.32Å; S126-T170 WeakPolarHBondContact O-CG2 3.46Å; S126-Y171 WeakPolarHBondContact CA-O 3.42Å; S126-P173 WeakPolarHBondContact OG-CD 3.13Å
127D87.6Confident87.4Confident72 Ų7234.9 Ų34.939%0.38520%0.202SC..SBendtrans-84159.1165.8-65.4-22.7000110.6R124 V125 C129R124-D127 WeakPolarHBondContact CB-OD2 3.31Å; R124-D127 PolarHBondContact N-OD2 3.39Å; R124-D127 VanDerWaalsContact O-CB 3.31Å; R124-D127 WeakPolarHBondContact O-CB 3.4Å; R124-D127 PolarHBondContact O-N 2.95Å; V125-D127 VanDerWaalsContact C-N 3.26Å; V125-D127 PolarHBondContact O-N 3.4Å; D127-C129 PolarHBondContact O-N 3.1Å
128P87.9Confident87Confident62 Ų6237.7 Ų37.740%0.40321%0.214SC..  trans-56131.3167.3-28.638.7000112.8G123 N168 T170G123-P128 PolarHBondContact N-O 2.89Å; P128-N168 WeakPolarHBondContact CB-OD1 3.49Å; P128-T170 WeakPolarHBondContact CA-OG1 3.44Å
129C90.6Very high86.2Confident2 Ų239.7 Ų39.71%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-108.8124.2157.4-170.60000110T121 C122 D127 N168 T169 F290T121-C129 WeakPolarHBondContact O-CA 3.41Å; T121-C129 PolarHBondContact O-SG 3.27Å; C122-C129 WeakPolarHBondContact CA-SG 3.22Å; C122-C129 HydrophobicContact CB-CB 3.65Å; C122-C129 WeakPolarHBondContact CB-SG 2.98Å; C122-C129 WeakPolarHBondContact SG-CB 3.48Å; C122-C129 CovalentContact SG-SG 2.04Å; C122-C129 PolarHBondContact SG-SG 2.9Å; D127-C129 PolarHBondContact O-N 3.1Å; C129-N168 CarbonylContact O-C 3.58Å; C129-N168 WeakPolarHBondContact O-CA 3.03Å; C129-T169 PolarHBondContact N-O 3.05Å; C129-T169 PolarHBondContact O-N 3.26Å; C129-F290 HydrophobicContact CB-CD2 3.86Å; C129-F290 HydrophobicContact CB-CE2 3.82Å; C129-F290 HydrophobicContact CB-CZ 4.49Å; C129-F290 VanDerWaalsContact SG-CD2 3.56Å
130I90.8Very high85Confident36 Ų3637.6 Ų37.619%0.18521%0.212CC..EExtended strand (participates in β ladder)trans-107.7118.2-177.5-58.3174.9000108.3C120 T121 I167 N168C120-I130 CarbonylContact C-O 3.55Å; C120-I130 VanDerWaalsContact CA-O 3.29Å; C120-I130 WeakPolarHBondContact CA-O 3.04Å; T121-I130 PolarHBondContact N-O 2.97Å; T121-I130 PolarHBondContact O-N 2.88Å; I130-I167 CarbonylContact C-O 3.6Å; I130-I167 VanDerWaalsContact CA-O 3.3Å; I130-I167 WeakPolarHBondContact CA-O 3.26Å; I130-N168 HydrophobicContact CG1-CB 4.38Å
131C91.9Very high83.6Confident0 Ų038.9 Ų38.90%023%0.232CC..EExtended strand (participates in β ladder)trans-112.6125.3173.1-60.80000109.6S119 C120 C166 I167 F288 F290S119-C131 CarbonylContact O-C 3.56Å; S119-C131 VanDerWaalsContact O-CA 3.31Å; S119-C131 WeakPolarHBondContact O-CA 3.3Å; C120-C131 HydrophobicContact CB-CB 4.13Å; C120-C131 WeakPolarHBondContact CB-SG 3.43Å; C120-C131 WeakPolarHBondContact SG-CB 3.48Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.16Å; C131-C166 CarbonylContact O-C 3.54Å; C131-C166 VanDerWaalsContact O-CA 3.32Å; C131-C166 WeakPolarHBondContact O-CA 3.01Å; C131-I167 HydrophobicContact CB-CD1 4.34Å; C131-I167 HydrophobicContact CB-CG1 3.81Å; C131-I167 PolarHBondContact N-O 2.9Å; C131-I167 PolarHBondContact O-N 2.91Å; C131-F288 HydrophobicContact CB-CD2 4.08Å; C131-F288 HydrophobicContact CB-CE2 3.82Å; C131-F290 WeakPolarHBondContact SG-CD1 3.25Å
132C91.2Very high82.4Confident3 Ų341.5 Ų41.52%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-129.1145.6-179-61.30000111.8F118 S119 F165 C166 M210F118-C132 CarbonylContact C-O 3.58Å; F118-C132 VanDerWaalsContact CA-O 3.29Å; F118-C132 WeakPolarHBondContact CA-O 3.35Å; S119-C132 PolarHBondContact N-O 3.36Å; S119-C132 PolarHBondContact O-N 3.03Å; C132-F165 CarbonylContact C-O 3.55Å; C132-F165 VanDerWaalsContact CA-O 3.26Å; C132-F165 WeakPolarHBondContact CA-O 3.47Å; C132-C166 HydrophobicContact CB-CB 4.15Å; C132-C166 WeakPolarHBondContact CB-SG 3.43Å; C132-C166 WeakPolarHBondContact SG-CB 3.48Å; C132-C166 CovalentContact SG-SG 2.02Å; C132-C166 PolarHBondContact SG-SG 3.42Å; C132-M210 HydrophobicContact CB-CE 3.88Å; C132-M210 HydrophobicContact CB-SD 3.49Å; C132-M210 WeakPolarHBondContact CB-SD 3.38Å; C132-M210 PolarHBondContact SG-SD 3.02Å
133G91.1Very high81.2Confident4 Ų444.6 Ų44.64%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-157162-179.900000112.1T117 F118 H164 F165T117-G133 WeakPolarHBondContact O-CA 3.42Å; F118-G133 VanDerWaalsContact CD1-N 3.31Å; F118-G133 VanDerWaalsContact CE1-N 3.28Å; G133-H164 WeakPolarHBondContact O-CA 3.13Å; G133-F165 PolarHBondContact N-O 3.19Å; G133-F165 PolarHBondContact O-N 3.24Å
134I90.4Very high80.7Confident59 Ų5949.1 Ų49.130%0.30327%0.266SS..EExtended strand (participates in β ladder)trans-85.5129.9176.3-49.5-172.5000108.4Q136 P162I134-Q136 HydrophobicContact CG2-CB 3.98Å; I134-Q136 PolarHBondContact O-N 2.02Å; I134-P162 HydrophobicContact CG2-CB 3.76Å; I134-P162 HydrophobicContact CG2-CG 3.61Å
135L91Very high80.3Confident0 Ų044.5 Ų44.50%025%0.251CS..  trans-79.451.7175-62.3-176.4000111.9F118 L154 A163 F165 L184 L245 I272 Y285F118-L135 HydrophobicContact CZ-CD2 4.28Å; L135-L154 HydrophobicContact CD1-CB 3.97Å; L135-L154 HydrophobicContact CD1-CD1 3.82Å; L135-L154 HydrophobicContact CD1-CG 4.46Å; L135-A163 WeakPolarHBondContact CB-O 3.47Å; L135-A163 HydrophobicContact CD1-CB 4.36Å; L135-A163 PolarHBondContact N-O 3.16Å; L135-F165 HydrophobicContact CD1-CB 3.77Å; L135-F165 HydrophobicContact CD1-CG 4.47Å; L135-F165 HydrophobicContact CD2-CB 3.8Å; L135-F165 HydrophobicContact CD2-CG 4.43Å; L135-F165 HydrophobicContact CG-CB 3.71Å; L135-L184 HydrophobicContact CD1-CD2 4.35Å; L135-L245 HydrophobicContact CD1-CD1 4.44Å; L135-L245 HydrophobicContact CD1-CD2 4.31Å; L135-L245 HydrophobicContact CD2-CD1 4.47Å; L135-I272 HydrophobicContact CD2-CG2 4.47Å; L135-Y285 VanDerWaalsContact C-OH 3.24Å; L135-Y285 VanDerWaalsContact CA-OH 3.31Å; L135-Y285 WeakPolarHBondContact CA-OH 3.49Å; L135-Y285 HydrophobicContact CB-CE1 4.39Å; L135-Y285 WeakPolarHBondContact CB-OH 3.33Å; L135-Y285 HydrophobicContact CD2-CD2 4.29Å; L135-Y285 HydrophobicContact CD2-CE1 4.16Å; L135-Y285 HydrophobicContact CD2-CE2 3.71Å; L135-Y285 PolarHBondContact O-OH 3.18Å
136Q88.1Confident80.2Confident57 Ų5747.1 Ų47.127%0.26627%0.27SS..  trans-100.3115.1171.6174.763.458.600108.2I134 Q138 Y150 P152 P162I134-Q136 HydrophobicContact CG2-CB 3.98Å; I134-Q136 PolarHBondContact O-N 2.02Å; Q136-Q138 PolarHBondContact O-N 2.9Å; Q136-Y150 PolarHBondContact NE2-O 2.91Å; Q136-Y150 VanDerWaalsContact NE2-O 3.1Å; Q136-P152 VanDerWaalsContact OE1-CG 3.23Å; Q136-P162 HydrophobicContact CB-CB 4.26Å; Q136-P162 HydrophobicContact CB-CG 4.34Å
137P80.3Confident79.9Confident5 Ų548.7 Ų48.73%0.03228%0.278CS..PPolyproline II helixtrans-56.6131.6173.4-24.835.3000110.2Y150 Q151 A283P137-Y150 HydrophobicContact CB-CD1 4.31Å; P137-Q151 WeakPolarHBondContact CG-O 3.39Å; P137-A283 HydrophobicContact CB-CB 4.25Å; P137-A283 HydrophobicContact CG-CB 3.85Å
138Q71.7Confident79.6Confident77 Ų7751 Ų5136%0.3629%0.29SS..PPolyproline II helixtrans-86.1139.1175.7-67.8-67-3700109.2F113 T117 Q136 S140 Y150F113-Q138 HydrophobicContact CD1-CB 3.99Å; F113-Q138 HydrophobicContact CE1-CB 4.11Å; T117-Q138 HydrophobicContact CG2-CG 3.74Å; Q136-Q138 PolarHBondContact O-N 2.9Å; Q138-S140 PolarHBondContact O-N 2.75Å; Q138-Y150 WeakPolarHBondContact O-CD1 3.4Å
139V71.1Confident79.5Confident54 Ų5450.2 Ų50.233%0.32728%0.283SS..PPolyproline II helixtrans-72.7128.2171.8-166.70000107.7G141 N143 Y150V139-G141 PolarHBondContact O-N 2.85Å; V139-N143 WeakPolarHBondContact CG1-OD1 3.35Å; V139-Y150 HydrophobicContact CB-CD2 4.4Å; V139-Y150 HydrophobicContact CG1-CD2 4.05Å; V139-Y150 HydrophobicContact CG1-CE2 3.83Å; V139-Y150 HydrophobicContact CG2-CD2 3.99Å; V139-Y150 HydrophobicContact CG2-CG 4.03Å
140S63.4Low79.3Confident2 Ų250.6 Ų50.61%0.01428%0.284CS..PPolyproline II helixtrans-53.8133.3172.7163.50000110.3E106 L112 Q138 Q142 N143E106-S140 WeakPolarHBondContact OE1-CB 3.49Å; E106-S140 PolarHBondContact OE1-OG 2.96Å; L112-S140 WeakPolarHBondContact CD2-OG 3.19Å; Q138-S140 PolarHBondContact O-N 2.75Å; S140-Q142 PolarHBondContact O-N 2.8Å; S140-Q142 PolarHBondContact OG-N 2.91Å; S140-N143 PolarHBondContact O-N 3.33Å; S140-N143 PolarHBondContact O-OD1 3.2Å
141G59Low79.2Confident64 Ų6452.3 Ų52.366%0.6629%0.291SS*.THydrogen-bonded Turntrans-60.4-16.817800000114V139V139-G141 PolarHBondContact O-N 2.85Å
142Q61.7Low79.2Confident113 Ų11353.6 Ų53.653%0.52830%0.299SS..THydrogen-bonded Turntrans-87.2-7.4177.9-60.9-174.115.400113.3L112 S140 H144L112-Q142 HydrophobicContact CD2-CG 4.2Å; S140-Q142 PolarHBondContact O-N 2.8Å; S140-Q142 PolarHBondContact OG-N 2.91Å; Q142-H144 PolarHBondContact O-N 3.07Å
143N58.6Low79.3Confident106 Ų10653.4 Ų53.457%0.56730%0.298SS*.  trans41.653.5170.3-76.1-27.6000114.9V139 S140 L145V139-N143 WeakPolarHBondContact CG1-OD1 3.35Å; S140-N143 PolarHBondContact O-N 3.33Å; S140-N143 PolarHBondContact O-OD1 3.2Å; N143-L145 VanDerWaalsContact C-N 3.32Å
144H69.9Low79.3Confident128 Ų12853.3 Ų53.359%0.59330%0.297SS*.  trans-77.8-21.2173.2-65.2-48.3000113.2E106 Q142E106-H144 IonicContact OE2-CD2 2.65Å; Q142-H144 PolarHBondContact O-N 3.07Å
145L78.6Confident79.4Confident33 Ų3351.1 Ų51.117%0.17329%0.286CS..SBendtrans-117154.6-172.6-60.8-177.8000112I102 L103 E106 N143 L149 Y150I102-L145 HydrophobicContact CG2-CD1 3.8Å; I102-L145 HydrophobicContact CG2-CD2 3.52Å; I102-L145 HydrophobicContact CG2-CG 4.32Å; L103-L145 HydrophobicContact CD2-CD1 3.91Å; E106-L145 HydrophobicContact CB-CD1 3.89Å; E106-L145 HydrophobicContact CG-CD1 4.03Å; N143-L145 VanDerWaalsContact C-N 3.32Å; L145-L149 HydrophobicContact CB-CD1 4.11Å; L145-Y150 HydrophobicContact CB-CE2 4.06Å
146S82.2Confident79.2Confident59 Ų5951.7 Ų51.741%0.41329%0.289SS..  trans-61.4136.2176.2-174.30000110.6D148 L149S146-D148 PolarHBondContact O-N 3.38Å; S146-L149 WeakPolarHBondContact O-CB 3.34Å; S146-L149 PolarHBondContact O-N 3.26Å
147P79.9Confident78.9Confident86 Ų8652.4 Ų52.456%0.55830%0.299SS*.G310 helixtrans-53.3-28.2174.7-27.635.6000114.1L149 Y150P147-L149 PolarHBondContact O-N 2.79Å; P147-L149 VanDerWaalsContact O-N 3.11Å; P147-Y150 PolarHBondContact O-N 3.3Å
148D83.1Confident79Confident120 Ų12056.8 Ų56.864%0.64232%0.322SS*.G310 helixtrans-64.3-14.4178.6-59.5-31000113.7S146 Y150 Q151S146-D148 PolarHBondContact O-N 3.38Å; D148-Y150 VanDerWaalsContact C-N 3.29Å; D148-Q151 WeakPolarHBondContact O-CG 3.33Å; D148-Q151 PolarHBondContact O-NE2 2.86Å
149L85.4Confident79.4Confident47 Ų4757.5 Ų57.525%0.24633%0.328CS..G310 helixtrans-85.22.8174-62.8176.2000113.1Y88 V99 L103 L145 S146 P147Y88-L149 PolarHBondContact OH-O 3.12Å; V99-L149 HydrophobicContact CG1-CD2 3.59Å; L103-L149 HydrophobicContact CD2-CB 4.19Å; L145-L149 HydrophobicContact CB-CD1 4.11Å; S146-L149 WeakPolarHBondContact O-CB 3.34Å; S146-L149 PolarHBondContact O-N 3.26Å; P147-L149 PolarHBondContact O-N 2.79Å; P147-L149 VanDerWaalsContact O-N 3.11Å
150Y86Confident79.9Confident10 Ų1059.3 Ų59.34%0.03934%0.339CS..  trans-115.555.9179.6-60.5-90.7000110.5F107 Q136 P137 Q138 V139 L145 P147 D148F107-Y150 HydrophobicContact CE1-CD1 4.45Å; F107-Y150 AromaticContact CE1-CE1 3.94Å; F107-Y150 HydrophobicContact CE1-CE1 3.94Å; F107-Y150 AromaticContact CZ-CD1 3.97Å; F107-Y150 HydrophobicContact CZ-CD1 3.97Å; F107-Y150 AromaticContact CZ-CE1 3.68Å; F107-Y150 HydrophobicContact CZ-CE1 3.68Å; Q136-Y150 PolarHBondContact NE2-O 2.91Å; Q136-Y150 VanDerWaalsContact NE2-O 3.1Å; P137-Y150 HydrophobicContact CB-CD1 4.31Å; Q138-Y150 WeakPolarHBondContact O-CD1 3.4Å; V139-Y150 HydrophobicContact CB-CD2 4.4Å; V139-Y150 HydrophobicContact CG1-CD2 4.05Å; V139-Y150 HydrophobicContact CG1-CE2 3.83Å; V139-Y150 HydrophobicContact CG2-CD2 3.99Å; V139-Y150 HydrophobicContact CG2-CG 4.03Å; L145-Y150 HydrophobicContact CB-CE2 4.06Å; P147-Y150 PolarHBondContact O-N 3.3Å; D148-Y150 VanDerWaalsContact C-N 3.29Å
151Q89.5Confident81.1Confident72 Ų7265.4 Ų65.434%0.33637%0.366SS..  trans-86.7149.1177.9-65.9-177.838.400112N85 Y88 P137 D148 I153N85-Q151 PolarHBondContact ND2-OE1 3.09Å; Y88-Q151 HydrophobicContact CD1-CB 3.96Å; Y88-Q151 HydrophobicContact CD2-CB 3.94Å; Y88-Q151 HydrophobicContact CD2-CG 4.11Å; Y88-Q151 HydrophobicContact CE1-CB 4.1Å; Y88-Q151 HydrophobicContact CE2-CB 4.1Å; Y88-Q151 HydrophobicContact CE2-CG 4.27Å; Y88-Q151 HydrophobicContact CG-CB 3.89Å; Y88-Q151 HydrophobicContact CG-CG 4.48Å; P137-Q151 WeakPolarHBondContact CG-O 3.39Å; D148-Q151 WeakPolarHBondContact O-CG 3.33Å; D148-Q151 PolarHBondContact O-NE2 2.86Å; Q151-I153 PolarHBondContact O-N 2.82Å
152P91.2Very high82.6Confident26 Ų2663.6 Ų63.617%0.16934%0.342CS..  trans-50.2126.7165.2-27.535.1000111.8N85 Q136 L155 P162N85-P152 WeakPolarHBondContact CB-O 3.37Å; N85-P152 PolarHBondContact ND2-O 2.68Å; N85-P152 VanDerWaalsContact ND2-O 3.13Å; Q136-P152 VanDerWaalsContact OE1-CG 3.23Å; P152-L155 HydrophobicContact CB-CD2 3.57Å; P152-P162 HydrophobicContact CB-CB 4.01Å; P152-P162 HydrophobicContact CG-CB 4.07Å; P152-P162 HydrophobicContact CG-CG 4.37Å
153I92.6Very high84Confident0 Ų058.3 Ų58.30%032%0.318CS..SBendtrans-95.7-50.2176-61.2150.9000109.8E84 N85 Y88 I89 Q151 V243 V274 I282 A283E84-I153 CarbonylContact C-O 3.57Å; E84-I153 VanDerWaalsContact CA-O 3.28Å; E84-I153 WeakPolarHBondContact CA-O 3.42Å; N85-I153 PolarHBondContact N-O 3.07Å; Y88-I153 HydrophobicContact CD1-CG1 4Å; Y88-I153 HydrophobicContact CE1-CD1 4.46Å; Y88-I153 HydrophobicContact CE1-CG1 3.74Å; I89-I153 HydrophobicContact CD1-CG2 4.35Å; I89-I153 HydrophobicContact CG1-CG2 4.45Å; Q151-I153 PolarHBondContact O-N 2.82Å; I153-V243 HydrophobicContact CG2-CG1 4.04Å; I153-V274 HydrophobicContact CD1-CB 4.21Å; I153-V274 HydrophobicContact CD1-CG1 4.14Å; I153-V274 HydrophobicContact CG2-CG1 4.02Å; I153-I282 HydrophobicContact CD1-CB 4.37Å; I153-I282 HydrophobicContact CD1-CD1 3.59Å; I153-I282 HydrophobicContact CD1-CG1 3.79Å; I153-I282 HydrophobicContact CG1-CD1 4.09Å; I153-I282 HydrophobicContact CG2-CD1 4.13Å; I153-A283 HydrophobicContact CD1-CB 3.64Å
154L92.2Very high85.6Confident1 Ų154.6 Ų54.61%0.00530%0.297CS..BIsolated β-bridgetrans-96.7121.5178.9-58.9-176.1000109.1F82 E84 L135 A163 V243 L245 V274F82-L154 HydrophobicContact CB-CD2 3.78Å; F82-L154 HydrophobicContact CD2-CD2 4Å; F82-L154 HydrophobicContact CG-CD2 3.92Å; E84-L154 HydrophobicContact CG-CD2 4.05Å; L135-L154 HydrophobicContact CD1-CB 3.97Å; L135-L154 HydrophobicContact CD1-CD1 3.82Å; L135-L154 HydrophobicContact CD1-CG 4.46Å; L154-A163 HydrophobicContact CB-CB 4.47Å; L154-A163 WeakPolarHBondContact O-CB 3.35Å; L154-A163 PolarHBondContact O-N 2.9Å; L154-V243 HydrophobicContact CD2-CG1 3.96Å; L154-L245 HydrophobicContact CD1-CB 3.98Å; L154-L245 HydrophobicContact CD1-CD1 4.06Å; L154-L245 HydrophobicContact CD1-CD2 4.09Å; L154-L245 HydrophobicContact CD1-CG 4.27Å; L154-V274 HydrophobicContact CD1-CG2 4.39Å
155L91.1Very high86.7Confident14 Ų1448.6 Ų48.67%0.07327%0.269CS..BIsolated β-bridgetrans-110.2158.5-169.2-55.4-178.5000111.8N83 N85 P152 N159 K161N83-L155 HydrophobicContact CB-CB 4.42Å; N83-L155 PolarHBondContact O-N 3.23Å; N85-L155 HydrophobicContact CB-CD1 3.97Å; N85-L155 HydrophobicContact CB-CD2 4.42Å; N85-L155 HydrophobicContact CB-CG 4.3Å; P152-L155 HydrophobicContact CB-CD2 3.57Å; L155-N159 HydrophobicContact CD1-CB 4.25Å; L155-K161 CarbonylContact C-O 3.55Å; L155-K161 VanDerWaalsContact CA-O 3.27Å; L155-K161 WeakPolarHBondContact CA-O 3.09Å
156T87.3Confident87.4Confident12 Ų1247.1 Ų47.17%0.07426%0.262CS..  trans-62.4161165.346.60000111.3D158 N159 K161T156-D158 WeakPolarHBondContact CB-OD1 3.36Å; T156-D158 PolarHBondContact O-N 2.69Å; T156-D158 VanDerWaalsContact O-N 3.09Å; T156-D158 PolarHBondContact OG1-OD1 3.16Å; T156-N159 WeakPolarHBondContact O-CA 3.3Å; T156-N159 PolarHBondContact O-N 2.75Å; T156-K161 HydrophobicContact CG2-CB 4.21Å; T156-K161 PolarHBondContact N-O 2.8Å; T156-K161 PolarHBondContact OG1-N 3.23Å; T156-K161 PolarHBondContact OG1-O 3.32Å
157P81.5Confident87.9Confident72 Ų7244.3 Ų44.347%0.46824%0.242SC..THydrogen-bonded Turntrans-59.3-20.2-178.8-26.335.3000116.4N83 N159 L215N83-P157 WeakPolarHBondContact ND2-CA 3.18Å; P157-N159 VanDerWaalsContact C-N 3.27Å; P157-L215 HydrophobicContact CG-CB 4.37Å; P157-L215 HydrophobicContact CG-CD1 4.28Å
158D82.4Confident88.5Confident96 Ų9642.5 Ų42.551%0.51323%0.228SC..THydrogen-bonded Turntrans-84.40.6172.765-31.9000113.1T156 T160T156-D158 WeakPolarHBondContact CB-OD1 3.36Å; T156-D158 PolarHBondContact O-N 2.69Å; T156-D158 VanDerWaalsContact O-N 3.09Å; T156-D158 PolarHBondContact OG1-OD1 3.16Å; D158-T160 HydrophobicContact CB-CG2 4.37Å; D158-T160 VanDerWaalsContact O-CG2 3.25Å; D158-T160 WeakPolarHBondContact O-CG2 3.02Å; D158-T160 PolarHBondContact O-N 3.31Å; D158-T160 PolarHBondContact OD2-OG1 3Å
159N80.6Confident89Confident92 Ų9236.9 Ų36.949%0.49220%0.198SC..SBendtrans57.923.1-179.9-63.6-33.5000114.7N83 L155 T156 P157N83-N159 WeakPolarHBondContact CB-OD1 3.34Å; L155-N159 HydrophobicContact CD1-CB 4.25Å; T156-N159 WeakPolarHBondContact O-CA 3.3Å; T156-N159 PolarHBondContact O-N 2.75Å; P157-N159 VanDerWaalsContact C-N 3.27Å
160T81.6Confident89.4Confident92 Ų9235.3 Ų35.356%0.56419%0.19SC*.SBendtrans-107.8-25.5-175.273.80000114.8D158D158-T160 HydrophobicContact CB-CG2 4.37Å; D158-T160 VanDerWaalsContact O-CG2 3.25Å; D158-T160 WeakPolarHBondContact O-CG2 3.02Å; D158-T160 PolarHBondContact O-N 3.31Å; D158-T160 PolarHBondContact OD2-OG1 3Å
161K88.6Confident89.7Confident131 Ų13135.3 Ų35.357%0.5719%0.19SC*.SBendtrans-132.6156.9-170.7-72.1174.8-173.2178.90111.6L155 T156 A163L155-K161 CarbonylContact C-O 3.55Å; L155-K161 VanDerWaalsContact CA-O 3.27Å; L155-K161 WeakPolarHBondContact CA-O 3.09Å; T156-K161 HydrophobicContact CG2-CB 4.21Å; T156-K161 PolarHBondContact N-O 2.8Å; T156-K161 PolarHBondContact OG1-N 3.23Å; T156-K161 PolarHBondContact OG1-O 3.32Å; K161-A163 PolarHBondContact O-N 3.04Å
162P90.2Very high89.8Confident25 Ų2533.8 Ų33.816%0.16218%0.184CC..BIsolated β-bridgetrans-58.2135169.325.1-33.8000110.4I134 Q136 P152I134-P162 HydrophobicContact CG2-CB 3.76Å; I134-P162 HydrophobicContact CG2-CG 3.61Å; Q136-P162 HydrophobicContact CB-CB 4.26Å; Q136-P162 HydrophobicContact CB-CG 4.34Å; P152-P162 HydrophobicContact CB-CB 4.01Å; P152-P162 HydrophobicContact CG-CB 4.07Å; P152-P162 HydrophobicContact CG-CG 4.37Å
163A91.3Very high89.6Confident2 Ų232.8 Ų32.82%0.01718%0.178CC..PPolyproline II helixtrans-64.9147.3176.200000110.7L135 L154 K161 L184L135-A163 WeakPolarHBondContact CB-O 3.47Å; L135-A163 HydrophobicContact CD1-CB 4.36Å; L135-A163 PolarHBondContact N-O 3.16Å; L154-A163 HydrophobicContact CB-CB 4.47Å; L154-A163 WeakPolarHBondContact O-CB 3.35Å; L154-A163 PolarHBondContact O-N 2.9Å; K161-A163 PolarHBondContact O-N 3.04Å; A163-L184 HydrophobicContact CB-CD1 4.3Å; A163-L184 HydrophobicContact CB-CD2 4.04Å
164H91.9Very high89.3Confident29 Ų2939.3 Ų39.313%0.13421%0.213CC..EExtended strand (participates in β ladder)trans-96.3128.7168.4-6061.9000108.3G133 L184 V185 L187G133-H164 WeakPolarHBondContact O-CA 3.13Å; H164-L184 CarbonylContact O-C 3.56Å; H164-L184 VanDerWaalsContact O-CA 3.25Å; H164-L184 WeakPolarHBondContact O-CA 3.04Å; H164-V185 HydrophobicContact CB-CG2 3.77Å; H164-V185 WeakPolarHBondContact CB-O 3.4Å; H164-V185 PolarHBondContact O-N 3.2Å; H164-L187 HydrophobicContact CB-CG 4.35Å; H164-L187 VanDerWaalsContact CD2-CD1 3.43Å; H164-L187 WeakPolarHBondContact CD2-CD1 3.45Å
165F93.4Very high89.1Confident1 Ų145.5 Ų45.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-111.4131.3-178.4176.9-113.2000109.6F118 C132 G133 L135 I167 A182 L184 V218 L245 V247 I272F118-F165 AromaticContact CE1-CD1 3.89Å; F118-F165 HydrophobicContact CE1-CD1 3.89Å; F118-F165 WeakPolarHBondContact CE1-O 3.35Å; F118-F165 HydrophobicContact CZ-CD1 4.01Å; C132-F165 CarbonylContact C-O 3.55Å; C132-F165 VanDerWaalsContact CA-O 3.26Å; C132-F165 WeakPolarHBondContact CA-O 3.47Å; G133-F165 PolarHBondContact N-O 3.19Å; G133-F165 PolarHBondContact O-N 3.24Å; L135-F165 HydrophobicContact CD1-CB 3.77Å; L135-F165 HydrophobicContact CD1-CG 4.47Å; L135-F165 HydrophobicContact CD2-CB 3.8Å; L135-F165 HydrophobicContact CD2-CG 4.43Å; L135-F165 HydrophobicContact CG-CB 3.71Å; F165-I167 HydrophobicContact CD1-CG2 4.18Å; F165-I167 HydrophobicContact CE1-CG2 3.27Å; F165-I167 HydrophobicContact CE2-CG2 4.33Å; F165-I167 HydrophobicContact CZ-CG2 3.37Å; F165-A182 HydrophobicContact CE2-CB 3.5Å; F165-A182 HydrophobicContact CZ-CB 3.67Å; F165-L184 HydrophobicContact CB-CD2 4.16Å; F165-L184 HydrophobicContact CD2-CD2 4Å; F165-V218 HydrophobicContact CD2-CG2 4.03Å; F165-V218 HydrophobicContact CE2-CB 4.21Å; F165-V218 HydrophobicContact CE2-CG1 4.31Å; F165-V218 HydrophobicContact CE2-CG2 3.86Å; F165-L245 HydrophobicContact CD2-CD2 3.68Å; F165-L245 HydrophobicContact CE1-CD2 4.44Å; F165-L245 HydrophobicContact CE2-CD2 3.53Å; F165-L245 HydrophobicContact CG-CD2 4.19Å; F165-L245 HydrophobicContact CZ-CD2 3.95Å; F165-V247 HydrophobicContact CE1-CG2 4.02Å; F165-V247 HydrophobicContact CZ-CG2 3.91Å; F165-I272 HydrophobicContact CD1-CD1 3.69Å; F165-I272 HydrophobicContact CE1-CD1 3.63Å; F165-I272 HydrophobicContact CE1-CG1 4.26Å
166C92.7Very high89.1Confident2 Ų250.6 Ų50.61%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-123.3130.9176.3-70.90000109.7C131 C132 A182 V183 V185C131-C166 CarbonylContact O-C 3.54Å; C131-C166 VanDerWaalsContact O-CA 3.32Å; C131-C166 WeakPolarHBondContact O-CA 3.01Å; C132-C166 HydrophobicContact CB-CB 4.15Å; C132-C166 WeakPolarHBondContact CB-SG 3.43Å; C132-C166 WeakPolarHBondContact SG-CB 3.48Å; C132-C166 CovalentContact SG-SG 2.02Å; C132-C166 PolarHBondContact SG-SG 3.42Å; C166-A182 CarbonylContact O-C 3.57Å; C166-A182 VanDerWaalsContact O-CA 3.28Å; C166-A182 WeakPolarHBondContact O-CA 3.32Å; C166-V183 HydrophobicContact CB-CG2 3.89Å; C166-V183 PolarHBondContact N-O 3.37Å; C166-V183 PolarHBondContact O-N 3.2Å; C166-V185 HydrophobicContact CB-CG1 4.3Å; C166-V185 WeakPolarHBondContact SG-CG2 3.33Å
167I94.4Very high89.3Confident1 Ų153.1 Ų53.11%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-106.1141165.761.6164.5000109.7I130 C131 F165 A182 V247 F288I130-I167 CarbonylContact C-O 3.6Å; I130-I167 VanDerWaalsContact CA-O 3.3Å; I130-I167 WeakPolarHBondContact CA-O 3.26Å; C131-I167 HydrophobicContact CB-CD1 4.34Å; C131-I167 HydrophobicContact CB-CG1 3.81Å; C131-I167 PolarHBondContact N-O 2.9Å; C131-I167 PolarHBondContact O-N 2.91Å; F165-I167 HydrophobicContact CD1-CG2 4.18Å; F165-I167 HydrophobicContact CE1-CG2 3.27Å; F165-I167 HydrophobicContact CE2-CG2 4.33Å; F165-I167 HydrophobicContact CZ-CG2 3.37Å; I167-A182 HydrophobicContact CG2-CB 3.95Å; I167-V247 HydrophobicContact CG2-CG2 4.43Å; I167-F288 HydrophobicContact CD1-CE2 3.71Å; I167-F288 HydrophobicContact CD1-CZ 3.5Å; I167-F288 HydrophobicContact CG1-CE2 4.49Å; I167-F288 HydrophobicContact CG1-CZ 4.32Å
168N92.1Very high89.9Confident48 Ų4849.7 Ų49.726%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-113.1120168.1177.51.5000107.7P128 C129 I130 I180 S181P128-N168 WeakPolarHBondContact CB-OD1 3.49Å; C129-N168 CarbonylContact O-C 3.58Å; C129-N168 WeakPolarHBondContact O-CA 3.03Å; I130-N168 HydrophobicContact CG1-CB 4.38Å; N168-I180 CarbonylContact O-C 3.58Å; N168-I180 VanDerWaalsContact O-CA 3.24Å; N168-I180 WeakPolarHBondContact O-CA 3.1Å; N168-I180 WeakPolarHBondContact O-CG1 3.32Å; N168-S181 PolarHBondContact N-O 2.97Å; N168-S181 PolarHBondContact O-N 3.25Å
169T94.2Very high90.5Very high2 Ų249.1 Ų49.11%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-121.7128.8179.5-52.90000109.8C129 I178 K179 F290C129-T169 PolarHBondContact N-O 3.05Å; C129-T169 PolarHBondContact O-N 3.26Å; T169-I178 HydrophobicContact CG2-CB 4.07Å; T169-I178 HydrophobicContact CG2-CD1 4.29Å; T169-I178 HydrophobicContact CG2-CG2 4.12Å; T169-K179 CarbonylContact C-O 3.58Å; T169-K179 WeakPolarHBondContact CA-O 3.29Å; T169-F290 HydrophobicContact CG2-CZ 3.96Å
170T92.5Very high91.2Very high13 Ų1344.8 Ų44.88%0.0822%0.219CC..EExtended strand (participates in β ladder)trans-123.9122.2172.4-59.70000109S126 P128 L172 I178 K179S126-T170 WeakPolarHBondContact O-CG2 3.46Å; P128-T170 WeakPolarHBondContact CA-OG1 3.44Å; T170-L172 HydrophobicContact CG2-CD2 4.23Å; T170-I178 CarbonylContact O-C 3.48Å; T170-I178 WeakPolarHBondContact O-CA 3.3Å; T170-K179 PolarHBondContact N-O 3.25Å; T170-K179 PolarHBondContact O-N 3.07Å
171Y93.5Very high91.8Very high11 Ų1141.7 Ų41.74%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-78.5139.1172.6-177.4-120.3000111.1V125 S126 P173 Q177 I178 Y254 F266V125-Y171 HydrophobicContact CG1-CD1 4.31Å; S126-Y171 WeakPolarHBondContact CA-O 3.42Å; Y171-P173 HydrophobicContact CD1-CB 4.35Å; Y171-P173 HydrophobicContact CD1-CG 3.69Å; Y171-P173 VanDerWaalsContact CE1-CA 3.47Å; Y171-P173 HydrophobicContact CE1-CB 3.83Å; Y171-P173 HydrophobicContact CE1-CG 3.68Å; Y171-P173 WeakPolarHBondContact O-CD 3.41Å; Y171-Q177 WeakPolarHBondContact CD2-O 3.31Å; Y171-I178 HydrophobicContact CD2-CG2 4.05Å; Y171-Y254 HydrophobicContact CD1-CD2 4.13Å; Y171-Y254 HydrophobicContact CD1-CG 4.37Å; Y171-Y254 HydrophobicContact CE1-CD1 4.11Å; Y171-Y254 AromaticContact CE1-CD2 3.68Å; Y171-Y254 HydrophobicContact CE1-CD2 3.68Å; Y171-Y254 HydrophobicContact CE1-CE2 4.45Å; Y171-Y254 AromaticContact CE1-CG 3.49Å; Y171-Y254 HydrophobicContact CE1-CG 3.49Å; Y171-Y254 VanDerWaalsContact CE1-CG 3.49Å; Y171-Y254 WeakPolarHBondContact OH-CB 3.4Å; Y171-F266 HydrophobicContact CD1-CB 4.1Å; Y171-F266 AromaticContact CD1-CD2 3.58Å; Y171-F266 HydrophobicContact CD1-CD2 3.58Å; Y171-F266 HydrophobicContact CD1-CE2 4.17Å; Y171-F266 AromaticContact CD1-CG 3.87Å; Y171-F266 HydrophobicContact CD1-CG 3.87Å; Y171-F266 AromaticContact CD2-CD2 3.66Å; Y171-F266 HydrophobicContact CD2-CD2 3.66Å; Y171-F266 AromaticContact CD2-CE2 3.33Å; Y171-F266 HydrophobicContact CD2-CE2 3.33Å; Y171-F266 HydrophobicContact CD2-CG 4.4Å; Y171-F266 AromaticContact CD2-CZ 3.85Å; Y171-F266 HydrophobicContact CD2-CZ 3.85Å; Y171-F266 HydrophobicContact CE1-CD2 4.04Å; Y171-F266 HydrophobicContact CE2-CD2 4.1Å; Y171-F266 AromaticContact CE2-CE2 3.85Å; Y171-F266 HydrophobicContact CE2-CE2 3.85Å; Y171-F266 HydrophobicContact CG-CB 4.41Å; Y171-F266 HydrophobicContact CG-CD1 4.19Å; Y171-F266 AromaticContact CG-CD2 3.37Å; Y171-F266 HydrophobicContact CG-CD2 3.37Å; Y171-F266 HydrophobicContact CG-CE1 4.3Å; Y171-F266 AromaticContact CG-CE2 3.51Å; Y171-F266 HydrophobicContact CG-CE2 3.51Å; Y171-F266 AromaticContact CG-CG 3.72Å; Y171-F266 HydrophobicContact CG-CG 3.72Å; Y171-F266 AromaticContact CG-CZ 3.97Å; Y171-F266 HydrophobicContact CG-CZ 3.97Å
172L91.1Very high92.1Very high39 Ų3935.5 Ų35.520%0.20417%0.174CC..EExtended strand (participates in β ladder)trans-116.190.3177.1-58.6178.7000108.9T170 N174 K175 K176 Q177 K179 F223T170-L172 HydrophobicContact CG2-CD2 4.23Å; L172-N174 PolarHBondContact O-N 3.41Å; L172-K175 HydrophobicContact CB-CB 4.2Å; L172-K175 HydrophobicContact CD1-CD 4.24Å; L172-K175 PolarHBondContact O-N 2.59Å; L172-K176 PolarHBondContact O-N 2.88Å; L172-Q177 WeakPolarHBondContact CB-O 3.47Å; L172-Q177 PolarHBondContact N-O 3.22Å; L172-Q177 PolarHBondContact O-N 3.07Å; L172-K179 HydrophobicContact CD1-CB 4.25Å; L172-F223 HydrophobicContact CD1-CD1 4.01Å; L172-F223 HydrophobicContact CD1-CE1 3.81Å
173P86.4Confident92.2Very high6 Ų635.5 Ų35.54%0.03917%0.174CC..G310 helixtrans-52.7-49.5-173.3-26.532.4000113.6V125 S126 Y171 K175 K176 Q302V125-P173 HydrophobicContact CG1-CG 3.65Å; S126-P173 WeakPolarHBondContact OG-CD 3.13Å; Y171-P173 HydrophobicContact CD1-CB 4.35Å; Y171-P173 HydrophobicContact CD1-CG 3.69Å; Y171-P173 VanDerWaalsContact CE1-CA 3.47Å; Y171-P173 HydrophobicContact CE1-CB 3.83Å; Y171-P173 HydrophobicContact CE1-CG 3.68Å; Y171-P173 WeakPolarHBondContact O-CD 3.41Å; P173-K175 PolarHBondContact O-N 3.29Å; P173-K175 VanDerWaalsContact O-N 3.09Å; P173-K176 PolarHBondContact O-N 3.38Å; P173-Q302 PolarHBondContact O-OE1 3.35Å
174N87.2Confident92.1Very high137 Ų13735.8 Ų35.873%0.73318%0.175SC*.G310 helixtrans-57.6-29.9-179.8-63.2-6.7000113.5L172 Q302L172-N174 PolarHBondContact O-N 3.41Å; N174-Q302 PolarHBondContact OD1-NE2 3.26Å
175K88.2Confident91.8Very high130 Ų13034.4 Ų34.457%0.56517%0.169SC*.G310 helixtrans-99.8-9.7-177.5-63.9-171.5179.4-176.30112.8L172 P173 Q177L172-K175 HydrophobicContact CB-CB 4.2Å; L172-K175 HydrophobicContact CD1-CD 4.24Å; L172-K175 PolarHBondContact O-N 2.59Å; P173-K175 PolarHBondContact O-N 3.29Å; P173-K175 VanDerWaalsContact O-N 3.09Å; K175-Q177 HydrophobicContact CB-CB 4.1Å; K175-Q177 HydrophobicContact CB-CG 4.28Å; K175-Q177 WeakPolarHBondContact O-CG 3.29Å; K175-Q177 PolarHBondContact O-N 3.08Å
176K89.2Confident91.1Very high121 Ų12138.1 Ų38.153%0.52619%0.189SC..THydrogen-bonded Turntrans47.245.8-169.8-59.9-174.2177-171.20111.7L172 P173 S226L172-K176 PolarHBondContact O-N 2.88Å; P173-K176 PolarHBondContact O-N 3.38Å; K176-S226 WeakPolarHBondContact O-CB 3.05Å; K176-S226 PolarHBondContact O-N 3.1Å; K176-S226 PolarHBondContact O-OG 3.36Å; K176-S226 VanDerWaalsContact O-OG 3.06Å
177Q93.5Very high89.8Confident65 Ų6539.6 Ų39.630%0.30420%0.196SC..EExtended strand (participates in β ladder)trans-133.8156.1-176.7-77.6170.76.100109.5Y171 L172 K175 L224Y171-Q177 WeakPolarHBondContact CD2-O 3.31Å; L172-Q177 WeakPolarHBondContact CB-O 3.47Å; L172-Q177 PolarHBondContact N-O 3.22Å; L172-Q177 PolarHBondContact O-N 3.07Å; K175-Q177 HydrophobicContact CB-CB 4.1Å; K175-Q177 HydrophobicContact CB-CG 4.28Å; K175-Q177 WeakPolarHBondContact O-CG 3.29Å; K175-Q177 PolarHBondContact O-N 3.08Å; Q177-L224 CarbonylContact C-O 3.45Å; Q177-L224 WeakPolarHBondContact CA-O 3.24Å; Q177-L224 WeakPolarHBondContact CB-O 3.28Å
178I93.7Very high88.1Confident0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-102.7140.6163.559.8172.5000109.5T169 T170 Y171 F223 L224 P230 F249 L252 F266T169-I178 HydrophobicContact CG2-CB 4.07Å; T169-I178 HydrophobicContact CG2-CD1 4.29Å; T169-I178 HydrophobicContact CG2-CG2 4.12Å; T170-I178 CarbonylContact O-C 3.48Å; T170-I178 WeakPolarHBondContact O-CA 3.3Å; Y171-I178 HydrophobicContact CD2-CG2 4.05Å; I178-F223 WeakPolarHBondContact O-CA 3.42Å; I178-L224 HydrophobicContact CD1-CB 4.23Å; I178-L224 HydrophobicContact CD1-CD1 4.29Å; I178-L224 HydrophobicContact CG1-CB 3.79Å; I178-L224 PolarHBondContact N-O 3.22Å; I178-L224 PolarHBondContact O-N 3.41Å; I178-P230 HydrophobicContact CD1-CG 4.45Å; I178-F249 HydrophobicContact CD1-CD2 4.16Å; I178-F249 HydrophobicContact CD1-CE1 4.04Å; I178-F249 HydrophobicContact CD1-CE2 3.64Å; I178-F249 HydrophobicContact CD1-CZ 3.57Å; I178-L252 HydrophobicContact CD1-CD1 3.99Å; I178-L252 HydrophobicContact CD1-CD2 4.24Å; I178-L252 HydrophobicContact CG2-CD1 4.49Å; I178-L252 HydrophobicContact CG2-CD2 4.03Å; I178-F266 HydrophobicContact CG2-CZ 3.84Å
179K94.3Very high86.1Confident85 Ų8543.7 Ų43.737%0.3723%0.225SC..EExtended strand (participates in β ladder)trans-95.9120.1163179.7-170169-177.90106.8T169 T170 L172 T221 V222 F223T169-K179 CarbonylContact C-O 3.58Å; T169-K179 WeakPolarHBondContact CA-O 3.29Å; T170-K179 PolarHBondContact N-O 3.25Å; T170-K179 PolarHBondContact O-N 3.07Å; L172-K179 HydrophobicContact CD1-CB 4.25Å; K179-T221 HydrophobicContact CD-CG2 4.05Å; K179-T221 VanDerWaalsContact CE-CG2 3.44Å; K179-T221 HydrophobicContact CG-CG2 3.6Å; K179-V222 WeakPolarHBondContact CA-O 3.4Å; K179-F223 HydrophobicContact CB-CD1 4.14Å; K179-F223 HydrophobicContact CB-CE1 3.94Å; K179-F223 HydrophobicContact CD-CE1 4.29Å; K179-F223 HydrophobicContact CD-CZ 4.45Å; K179-F223 HydrophobicContact CG-CD1 4.41Å; K179-F223 HydrophobicContact CG-CE1 3.92Å; K179-F223 HydrophobicContact CG-CZ 4.25Å
180I95Very high83.3Confident1 Ų149.4 Ų49.41%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-126.9145.9-176.8-164.6-177.2000111.3N168 F219 T221 V222 L224 F249N168-I180 CarbonylContact O-C 3.58Å; N168-I180 VanDerWaalsContact O-CA 3.24Å; N168-I180 WeakPolarHBondContact O-CA 3.1Å; N168-I180 WeakPolarHBondContact O-CG1 3.32Å; I180-F219 HydrophobicContact CB-CE2 4.47Å; I180-F219 HydrophobicContact CD1-CE2 4.13Å; I180-F219 HydrophobicContact CD1-CZ 4.08Å; I180-F219 HydrophobicContact CG1-CE2 3.99Å; I180-F219 HydrophobicContact CG1-CZ 4.39Å; I180-F219 HydrophobicContact CG2-CE2 4Å; I180-T221 CarbonylContact O-C 3.6Å; I180-T221 WeakPolarHBondContact O-CA 3.3Å; I180-V222 HydrophobicContact CG2-CB 3.99Å; I180-V222 PolarHBondContact N-O 2.89Å; I180-V222 PolarHBondContact O-N 2.91Å; I180-L224 HydrophobicContact CG2-CD1 3.76Å; I180-L224 HydrophobicContact CG2-CG 4.2Å; I180-F249 HydrophobicContact CD1-CE2 3.75Å; I180-F249 HydrophobicContact CD1-CZ 3.59Å
181S94.2Very high80.6Confident27 Ų2755.1 Ų55.119%0.18929%0.291CS..EExtended strand (participates in β ladder)trans-145.9153.7167.157.10000109.3N168N168-S181 PolarHBondContact N-O 2.97Å; N168-S181 PolarHBondContact O-N 3.25Å
182A94.5Very high77.7Confident0 Ų057.1 Ų57.10%032%0.315CS..EExtended strand (participates in β ladder)trans-139.5144.5-179.600000112.9F165 C166 I167 V218 F219F165-A182 HydrophobicContact CE2-CB 3.5Å; F165-A182 HydrophobicContact CZ-CB 3.67Å; C166-A182 CarbonylContact O-C 3.57Å; C166-A182 VanDerWaalsContact O-CA 3.28Å; C166-A182 WeakPolarHBondContact O-CA 3.32Å; I167-A182 HydrophobicContact CG2-CB 3.95Å; A182-V218 HydrophobicContact CB-CB 4.15Å; A182-V218 PolarHBondContact O-N 3.47Å; A182-F219 HydrophobicContact CB-CD1 3.92Å; A182-F219 HydrophobicContact CB-CD2 4.13Å; A182-F219 HydrophobicContact CB-CE1 3.46Å; A182-F219 VanDerWaalsContact CB-CE1 3.46Å; A182-F219 HydrophobicContact CB-CE2 3.66Å; A182-F219 HydrophobicContact CB-CG 4.24Å; A182-F219 HydrophobicContact CB-CZ 3.31Å; A182-F219 PolarHBondContact N-O 2.82Å; A182-F219 PolarHBondContact O-N 2.85Å; A182-F219 VanDerWaalsContact O-N 3.12Å
183V92.2Very high74.8Confident25 Ų2562 Ų6215%0.15234%0.341CS..EExtended strand (participates in β ladder)trans-141148.2-172.7-61.30000110.5C166 V185 Y214 S216C166-V183 HydrophobicContact CB-CG2 3.89Å; C166-V183 PolarHBondContact N-O 3.37Å; C166-V183 PolarHBondContact O-N 3.2Å; V183-V185 HydrophobicContact CB-CG1 4.36Å; V183-V185 HydrophobicContact CG2-CG1 3.6Å; V183-Y214 HydrophobicContact CB-CD2 4.09Å; V183-Y214 HydrophobicContact CB-CE2 4.05Å; V183-Y214 HydrophobicContact CG1-CD2 3.85Å; V183-Y214 HydrophobicContact CG1-CE2 3.49Å; V183-Y214 VanDerWaalsContact CG1-CE2 3.49Å; V183-S216 CarbonylContact C-O 3.52Å; V183-S216 WeakPolarHBondContact CA-O 3.1Å
184L90.8Very high72.7Confident8 Ų867.1 Ų67.14%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-88.7138.2162-59.1-179.5000109F82 L135 A163 H164 F165 L215 S216 V218F82-L184 HydrophobicContact CD1-CD1 4.26Å; L135-L184 HydrophobicContact CD1-CD2 4.35Å; A163-L184 HydrophobicContact CB-CD1 4.3Å; A163-L184 HydrophobicContact CB-CD2 4.04Å; H164-L184 CarbonylContact O-C 3.56Å; H164-L184 VanDerWaalsContact O-CA 3.25Å; H164-L184 WeakPolarHBondContact O-CA 3.04Å; F165-L184 HydrophobicContact CB-CD2 4.16Å; F165-L184 HydrophobicContact CD2-CD2 4Å; L184-L215 WeakPolarHBondContact O-CB 3.25Å; L184-L215 PolarHBondContact O-N 3.28Å; L184-S216 PolarHBondContact N-O 2.79Å; L184-S216 PolarHBondContact O-N 3Å; L184-V218 HydrophobicContact CD2-CG2 4.01Å; L184-V218 HydrophobicContact CG-CG2 3.78Å
185V85.5Confident70.1Confident0 Ų065.2 Ų65.20%036%0.36CS..EExtended strand (participates in β ladder)trans-135.1164.5-173.9-52.90000111.5H164 C166 V183 L187 F212 T213 L215H164-V185 HydrophobicContact CB-CG2 3.77Å; H164-V185 WeakPolarHBondContact CB-O 3.4Å; H164-V185 PolarHBondContact O-N 3.2Å; C166-V185 HydrophobicContact CB-CG1 4.3Å; C166-V185 WeakPolarHBondContact SG-CG2 3.33Å; V183-V185 HydrophobicContact CB-CG1 4.36Å; V183-V185 HydrophobicContact CG2-CG1 3.6Å; V185-L187 HydrophobicContact CG2-CD2 3.94Å; V185-L187 HydrophobicContact CG2-CG 4.3Å; V185-F212 HydrophobicContact CB-CB 3.96Å; V185-F212 HydrophobicContact CB-CD2 3.8Å; V185-F212 HydrophobicContact CB-CG 4.12Å; V185-F212 HydrophobicContact CG1-CB 4.41Å; V185-F212 HydrophobicContact CG1-CD2 3.35Å; V185-F212 HydrophobicContact CG1-CE2 3.73Å; V185-F212 HydrophobicContact CG1-CG 4Å; V185-F212 HydrophobicContact CG2-CB 4Å; V185-F212 HydrophobicContact CG2-CD2 4.45Å; V185-F212 HydrophobicContact CG2-CG 4.31Å; V185-T213 CarbonylContact C-O 3.51Å; V185-T213 VanDerWaalsContact CA-O 3.3Å; V185-T213 WeakPolarHBondContact CA-O 3.33Å; V185-T213 WeakPolarHBondContact CB-O 3.1Å; V185-L215 WeakPolarHBondContact O-CD1 3.28Å
186N77.4Confident67.1Low79 Ų7961.5 Ų61.542%0.42236%0.36SS..EExtended strand (participates in β ladder)trans-106.7115.9159.2-168.37.6000107.7T188 F212 T213 L215N186-T188 PolarHBondContact O-N 2.82Å; N186-F212 WeakPolarHBondContact O-CA 3.33Å; N186-T213 PolarHBondContact N-O 2.65Å; N186-T213 PolarHBondContact O-N 2.9Å; N186-L215 HydrophobicContact CB-CD1 4.1Å; N186-L215 HydrophobicContact CB-CD2 4.17Å; N186-L215 HydrophobicContact CB-CG 4.27Å
187L65.9Low64.1Low33 Ų3365.4 Ų65.417%0.17338%0.376CS..EExtended strand (participates in β ladder)trans-72.4123.5175.6-68.2-176.3000108.9H164 V185 M210 F212H164-L187 HydrophobicContact CB-CG 4.35Å; H164-L187 VanDerWaalsContact CD2-CD1 3.43Å; H164-L187 WeakPolarHBondContact CD2-CD1 3.45Å; V185-L187 HydrophobicContact CG2-CD2 3.94Å; V185-L187 HydrophobicContact CG2-CG 4.3Å; L187-M210 HydrophobicContact CD2-CG 4.2Å; L187-M210 HydrophobicContact CD2-SD 4.19Å; L187-F212 HydrophobicContact CD2-CB 3.78Å
188T58.4Low61Low87 Ų8769.4 Ų69.453%0.53440%0.399SS..  trans-104.6-11.1175.544.60000112.4N186 S190 K211N186-T188 PolarHBondContact O-N 2.82Å; T188-S190 PolarHBondContact O-N 2.85Å; T188-K211 PolarHBondContact N-O 2.87Å; T188-K211 PolarHBondContact OG1-O 2.93Å
189S50Low57.8Low49 Ų4975.3 Ų75.334%0.34343%0.431SS..  trans-77107.9174.658.80000111.4Q191 K211S189-Q191 PolarHBondContact O-N 2.84Å; S189-Q191 VanDerWaalsContact O-N 3.12Å; S189-K211 PolarHBondContact N-O 3.34Å
190S36.8Very low54.8Low121 Ų12177.2 Ų77.285%0.84645%0.452SS*.  trans-7385.8162.758.90000109.8T188T188-S190 PolarHBondContact O-N 2.85Å
191Q35Very low51.6Low134 Ų13483.1 Ų83.163%0.62649%0.488SS*.  trans-151.3118.1165.2-130.9177.610.100110.5S189S189-Q191 PolarHBondContact O-N 2.84Å; S189-Q191 VanDerWaalsContact O-N 3.12Å
192G32.4Very low48.9Very low53 Ų5387.5 Ų87.555%0.54651%0.508SS..  trans84.595.4177.400000111.7F194G192-F194 VanDerWaalsContact C-N 3.31Å; G192-F194 WeakPolarHBondContact O-CD2 3.39Å; G192-F194 PolarHBondContact O-N 2.81Å
193D29.8Very low45.7Very low141 Ų14196.1 Ų96.175%0.75455%0.545SS*.  trans-44.9103.8148.5-160.7-4.7000107.4S195 G196D193-S195 PolarHBondContact O-N 2.04Å; D193-G196 PolarHBondContact O-N 2.76Å
194F42.7Very low42.8Very low113 Ų113105.4 Ų105.450%0.49658%0.584SS.*THydrogen-bonded Turntrans-65-0.2-175-70-80.4000112.3G192G192-F194 VanDerWaalsContact C-N 3.31Å; G192-F194 WeakPolarHBondContact O-CD2 3.39Å; G192-F194 PolarHBondContact O-N 2.81Å
195S32.3Very low40Very low97 Ų97107.9 Ų107.968%0.67860%0.602SS**THydrogen-bonded Turntrans-83.2-6.1171.9177.70000114.4D193D193-S195 PolarHBondContact O-N 2.04Å
196G26.6Very low37.6Very low53 Ų53115.2 Ų115.255%0.54664%0.641SS.*SBendtrans-92.4125.3-172.500000113.7D193 L198D193-G196 PolarHBondContact O-N 2.76Å; G196-L198 PolarHBondContact O-N 2.95Å
197K25.4Very low36Very low202 Ų202120.3 Ų120.388%0.87866%0.659SS**  trans-33.1122162.5-76.9175.5174.1178.10110.6D199K197-D199 PolarHBondContact O-N 3.1Å
198L28.3Very low35.2Very low150 Ų150123.5 Ų123.579%0.78568%0.676SS**  trans-62.787.9166.2-80.8156.1000108.1G196 P200G196-L198 PolarHBondContact O-N 2.95Å; L198-P200 WeakPolarHBondContact O-CD 3.49Å
199D25.5Very low35.1Very low123 Ų123124 Ų12466%0.65868%0.679SS**  trans-67.7123.5162.1-107.8-30.5000107.3K197 V201K197-D199 PolarHBondContact O-N 3.1Å; D199-V201 PolarHBondContact O-N 3.04Å
200P33.2Very low35.7Very low125 Ų125123.7 Ų123.781%0.81267%0.673SS**SBendtrans-71.811.4-176.427.1-32.6000114L198L198-P200 WeakPolarHBondContact O-CD 3.49Å
201V27.7Very low36.7Very low125 Ų125124.5 Ų124.576%0.75866%0.661SS**  trans-103.942.9177.2-161.30000110.9D199 K203D199-V201 PolarHBondContact O-N 3.04Å; V201-K203 PolarHBondContact O-N 2.83Å; V201-K203 VanDerWaalsContact O-N 3.16Å
202I35.7Very low38.2Very low120 Ų120121.4 Ų121.462%0.61565%0.646SS**  trans-80.694.1160.7-59177.2000106.1K204I202-K204 PolarHBondContact O-N 2.82Å
203K27.3Very low40Very low181 Ų181122.5 Ų122.579%0.78764%0.642SS**  trans-38.6132.7158.4-77.7176.7175.2175.70107.6V201 S205V201-K203 PolarHBondContact O-N 2.83Å; V201-K203 VanDerWaalsContact O-N 3.16Å; K203-S205 PolarHBondContact O-N 2.92Å
204K31.6Very low42Very low220 Ų220121.2 Ų121.296%0.95763%0.627SS**  trans-41.182.9170.2-80.1178.5173.1175.80110.8I202I202-K204 PolarHBondContact O-N 2.82Å
205S32.6Very low43.4Very low60 Ų60118.7 Ų118.742%0.4262%0.618SS.*  trans-89.7146.8170.7540000106.3K203 K207K203-S205 PolarHBondContact O-N 2.92Å; S205-K207 PolarHBondContact O-N 2.92Å
206D36Very low45.8Very low153 Ų153116 Ų11682%0.81860%0.6SS**SBendtrans-32.5128.8-173.8-63.1-56.2000113.1N208D206-N208 PolarHBondContact O-N 3.2Å; D206-N208 VanDerWaalsContact O-N 3.07Å
207K42.8Very low48.6Very low186 Ų186115.5 Ų115.581%0.80959%0.586SS**  trans-18.3112.1171.8-63.5174.7-179.6178.60109.7S205 V209S205-K207 PolarHBondContact O-N 2.92Å; K207-V209 HydrophobicContact CB-CG2 4.38Å; K207-V209 WeakPolarHBondContact O-CG2 3.14Å; K207-V209 PolarHBondContact O-N 3.2Å
208N49.4Very low51.6Low101 Ų101106.1 Ų106.154%0.5455%0.546SS..  trans-60.485.3178.5-69.4-15.2000108.7D206 M210D206-N208 PolarHBondContact O-N 3.2Å; D206-N208 VanDerWaalsContact O-N 3.07Å; N208-M210 PolarHBondContact O-N 3.36Å
209V56.3Low54.5Low98 Ų9899.2 Ų99.259%0.59451%0.509SS*.  trans-82.1102.7176.5177.50000105.4K207 K211K207-V209 HydrophobicContact CB-CG2 4.38Å; K207-V209 WeakPolarHBondContact O-CG2 3.14Å; K207-V209 PolarHBondContact O-N 3.2Å; V209-K211 HydrophobicContact CG1-CG 4.24Å; V209-K211 PolarHBondContact O-N 3.1Å
210M61.5Low57.5Low42 Ų4298.2 Ų98.221%0.20750%0.504CS..  trans-65.9117.5172.6-164.4178.4-71.800108.9C132 L187 N208 F212C132-M210 HydrophobicContact CB-CE 3.88Å; C132-M210 HydrophobicContact CB-SD 3.49Å; C132-M210 WeakPolarHBondContact CB-SD 3.38Å; C132-M210 PolarHBondContact SG-SD 3.02Å; L187-M210 HydrophobicContact CD2-CG 4.2Å; L187-M210 HydrophobicContact CD2-SD 4.19Å; N208-M210 PolarHBondContact O-N 3.36Å; M210-F212 HydrophobicContact CG-CD1 4.29Å
211K59.6Low60.3Low138 Ų13895.6 Ų95.660%0.649%0.486SS*.  trans-106.6123.5175.6-67.6-175.2-178.9179.50108.9T188 S189 V209T188-K211 PolarHBondContact N-O 2.87Å; T188-K211 PolarHBondContact OG1-O 2.93Å; S189-K211 PolarHBondContact N-O 3.34Å; V209-K211 HydrophobicContact CG1-CG 4.24Å; V209-K211 PolarHBondContact O-N 3.1Å
212F66.1Low63.4Low69 Ų6990.3 Ų90.330%0.30345%0.454SS..EExtended strand (participates in β ladder)trans-142.7151.6179.763.2-100000111V185 N186 L187 M210V185-F212 HydrophobicContact CB-CB 3.96Å; V185-F212 HydrophobicContact CB-CD2 3.8Å; V185-F212 HydrophobicContact CB-CG 4.12Å; V185-F212 HydrophobicContact CG1-CB 4.41Å; V185-F212 HydrophobicContact CG1-CD2 3.35Å; V185-F212 HydrophobicContact CG1-CE2 3.73Å; V185-F212 HydrophobicContact CG1-CG 4Å; V185-F212 HydrophobicContact CG2-CB 4Å; V185-F212 HydrophobicContact CG2-CD2 4.45Å; V185-F212 HydrophobicContact CG2-CG 4.31Å; N186-F212 WeakPolarHBondContact O-CA 3.33Å; L187-F212 HydrophobicContact CD2-CB 3.78Å; M210-F212 HydrophobicContact CG-CD1 4.29Å
213T70.2Confident66.2Low75 Ų7589.7 Ų89.746%0.4645%0.447SS..EExtended strand (participates in β ladder)trans-95.5122.4169.9-54.50000107.8V185 N186 L215V185-T213 CarbonylContact C-O 3.51Å; V185-T213 VanDerWaalsContact CA-O 3.3Å; V185-T213 WeakPolarHBondContact CA-O 3.33Å; V185-T213 WeakPolarHBondContact CB-O 3.1Å; N186-T213 PolarHBondContact N-O 2.65Å; N186-T213 PolarHBondContact O-N 2.9Å; T213-L215 PolarHBondContact O-N 3.08Å
214Y70.5Confident69.3Low114 Ų11481.2 Ų81.245%0.44741%0.41SS..EExtended strand (participates in β ladder)trans-61.5129173.4174.2-81.6000109.7V183 T217V183-Y214 HydrophobicContact CB-CD2 4.09Å; V183-Y214 HydrophobicContact CB-CE2 4.05Å; V183-Y214 HydrophobicContact CG1-CD2 3.85Å; V183-Y214 HydrophobicContact CG1-CE2 3.49Å; V183-Y214 VanDerWaalsContact CG1-CE2 3.49Å; Y214-T217 VanDerWaalsContact OH-CB 3.3Å; Y214-T217 WeakPolarHBondContact OH-CB 3.44Å; Y214-T217 PolarHBondContact OH-N 2.9Å; Y214-T217 PolarHBondContact OH-OG1 3.18Å
215L73.8Confident72.2Confident60 Ų6072.4 Ų72.431%0.31438%0.375SS..EExtended strand (participates in β ladder)trans-105.3-54.5176-61.2176.5000110.9P157 L184 V185 N186 T213P157-L215 HydrophobicContact CG-CB 4.37Å; P157-L215 HydrophobicContact CG-CD1 4.28Å; L184-L215 WeakPolarHBondContact O-CB 3.25Å; L184-L215 PolarHBondContact O-N 3.28Å; V185-L215 WeakPolarHBondContact O-CD1 3.28Å; N186-L215 HydrophobicContact CB-CD1 4.1Å; N186-L215 HydrophobicContact CB-CD2 4.17Å; N186-L215 HydrophobicContact CB-CG 4.27Å; T213-L215 PolarHBondContact O-N 3.08Å
216S81.6Confident74.8Confident41 Ų4170.3 Ų70.329%0.28736%0.361SS..EExtended strand (participates in β ladder)trans-156152.4-179.559.70000111.9V183 L184V183-S216 CarbonylContact C-O 3.52Å; V183-S216 WeakPolarHBondContact CA-O 3.1Å; L184-S216 PolarHBondContact N-O 2.79Å; L184-S216 PolarHBondContact O-N 3Å
217T85.9Confident77.3Confident43 Ų4367.6 Ų67.626%0.26435%0.354SS..EExtended strand (participates in β ladder)trans-77.9132.5170.4-76.10000108.7Y214 D220Y214-T217 VanDerWaalsContact OH-CB 3.3Å; Y214-T217 WeakPolarHBondContact OH-CB 3.44Å; Y214-T217 PolarHBondContact OH-N 2.9Å; Y214-T217 PolarHBondContact OH-OG1 3.18Å; T217-D220 WeakPolarHBondContact CG2-OD1 3.35Å
218V88.3Confident79.5Confident4 Ų460.9 Ų60.92%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-84.6-54.8162.9-177.80000108.6T80 F82 F165 A182 L184 L245T80-V218 HydrophobicContact CG2-CG1 4.34Å; T80-V218 PolarHBondContact OG1-O 3.37Å; F82-V218 HydrophobicContact CE1-CG1 3.91Å; F82-V218 HydrophobicContact CE1-CG2 4.11Å; F82-V218 HydrophobicContact CZ-CG1 3.94Å; F165-V218 HydrophobicContact CD2-CG2 4.03Å; F165-V218 HydrophobicContact CE2-CB 4.21Å; F165-V218 HydrophobicContact CE2-CG1 4.31Å; F165-V218 HydrophobicContact CE2-CG2 3.86Å; A182-V218 HydrophobicContact CB-CB 4.15Å; A182-V218 PolarHBondContact O-N 3.47Å; L184-V218 HydrophobicContact CD2-CG2 4.01Å; L184-V218 HydrophobicContact CG-CG2 3.78Å; V218-L245 HydrophobicContact CG1-CD2 4.39Å
219F89.3Confident81.5Confident5 Ų558.7 Ų58.72%0.02232%0.317CS..EExtended strand (participates in β ladder)trans-145.7143.7166.950.6-97.1000111.1I78 I180 A182 V222 I232 S234I78-F219 HydrophobicContact CB-CB 4.21Å; I78-F219 HydrophobicContact CD1-CB 3.42Å; I78-F219 VanDerWaalsContact CD1-CB 3.42Å; I78-F219 HydrophobicContact CD1-CG 4.07Å; I78-F219 HydrophobicContact CG1-CB 4.37Å; I78-F219 HydrophobicContact CG2-CB 3.97Å; I180-F219 HydrophobicContact CB-CE2 4.47Å; I180-F219 HydrophobicContact CD1-CE2 4.13Å; I180-F219 HydrophobicContact CD1-CZ 4.08Å; I180-F219 HydrophobicContact CG1-CE2 3.99Å; I180-F219 HydrophobicContact CG1-CZ 4.39Å; I180-F219 HydrophobicContact CG2-CE2 4Å; A182-F219 HydrophobicContact CB-CD1 3.92Å; A182-F219 HydrophobicContact CB-CD2 4.13Å; A182-F219 HydrophobicContact CB-CE1 3.46Å; A182-F219 VanDerWaalsContact CB-CE1 3.46Å; A182-F219 HydrophobicContact CB-CE2 3.66Å; A182-F219 HydrophobicContact CB-CG 4.24Å; A182-F219 HydrophobicContact CB-CZ 3.31Å; A182-F219 PolarHBondContact N-O 2.82Å; A182-F219 PolarHBondContact O-N 2.85Å; A182-F219 VanDerWaalsContact O-N 3.12Å; F219-V222 HydrophobicContact CD2-CG2 4.11Å; F219-I232 HydrophobicContact CD1-CD1 4.06Å; F219-I232 HydrophobicContact CD1-CG1 4.43Å; F219-I232 HydrophobicContact CD2-CD1 3.9Å; F219-I232 HydrophobicContact CE1-CD1 3.98Å; F219-I232 HydrophobicContact CE1-CG1 4.19Å; F219-I232 HydrophobicContact CE1-CG2 4.22Å; F219-I232 HydrophobicContact CE2-CD1 3.82Å; F219-I232 HydrophobicContact CG-CD1 4.03Å; F219-I232 HydrophobicContact CZ-CD1 3.86Å; F219-I232 HydrophobicContact CZ-CG1 4.39Å; F219-I232 HydrophobicContact CZ-CG2 3.96Å; F219-S234 WeakPolarHBondContact CD1-OG 3.44Å
220D88.7Confident83.2Confident102 Ų10254 Ų5455%0.54529%0.289SS..EExtended strand (participates in β ladder)trans-69.3-166.1174.5-77.8-25.9000111.1T217 V222T217-D220 WeakPolarHBondContact CG2-OD1 3.35Å; D220-V222 PolarHBondContact O-N 2.74Å
221T92Very high84.6Confident70 Ų7052.1 Ų52.143%0.42928%0.28SS..EExtended strand (participates in β ladder)trans-62120.5177.2-65.90000112.1K179 I180 F223K179-T221 HydrophobicContact CD-CG2 4.05Å; K179-T221 VanDerWaalsContact CE-CG2 3.44Å; K179-T221 HydrophobicContact CG-CG2 3.6Å; I180-T221 CarbonylContact O-C 3.6Å; I180-T221 WeakPolarHBondContact O-CA 3.3Å; T221-F223 HydrophobicContact CG2-CD2 4.44Å; T221-F223 HydrophobicContact CG2-CE2 3.81Å; T221-F223 HydrophobicContact CG2-CZ 3.98Å
222V92.7Very high86.2Confident14 Ų1445.6 Ų45.69%0.08525%0.251CS..EExtended strand (participates in β ladder)trans-119.7144.2171.4-1740000109V76 I78 K179 I180 F219 D220 L224 I232V76-V222 HydrophobicContact CG1-CG1 4.28Å; I78-V222 HydrophobicContact CD1-CG2 3.4Å; K179-V222 WeakPolarHBondContact CA-O 3.4Å; I180-V222 HydrophobicContact CG2-CB 3.99Å; I180-V222 PolarHBondContact N-O 2.89Å; I180-V222 PolarHBondContact O-N 2.91Å; F219-V222 HydrophobicContact CD2-CG2 4.11Å; D220-V222 PolarHBondContact O-N 2.74Å; V222-L224 HydrophobicContact CG1-CD2 3.73Å; V222-L224 HydrophobicContact CG1-CG 4.06Å; V222-I232 HydrophobicContact CB-CD1 4.34Å; V222-I232 HydrophobicContact CG1-CD1 4.34Å; V222-I232 HydrophobicContact CG2-CD1 4.01Å
223F93.8Very high87.6Confident108 Ų10842.7 Ų42.747%0.47424%0.24SC..EExtended strand (participates in β ladder)trans-106122.4172.2-63.8-89.1000109L172 I178 K179 T221L172-F223 HydrophobicContact CD1-CD1 4.01Å; L172-F223 HydrophobicContact CD1-CE1 3.81Å; I178-F223 WeakPolarHBondContact O-CA 3.42Å; K179-F223 HydrophobicContact CB-CD1 4.14Å; K179-F223 HydrophobicContact CB-CE1 3.94Å; K179-F223 HydrophobicContact CD-CE1 4.29Å; K179-F223 HydrophobicContact CD-CZ 4.45Å; K179-F223 HydrophobicContact CG-CD1 4.41Å; K179-F223 HydrophobicContact CG-CE1 3.92Å; K179-F223 HydrophobicContact CG-CZ 4.25Å; T221-F223 HydrophobicContact CG2-CD2 4.44Å; T221-F223 HydrophobicContact CG2-CE2 3.81Å; T221-F223 HydrophobicContact CG2-CZ 3.98Å
224L92.9Very high88.7Confident2 Ų239.1 Ų39.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-120.2144.9179.9-56.8173.3000109.7V76 Q177 I178 I180 V222 P230 I232 F249V76-L224 HydrophobicContact CB-CD2 4.13Å; V76-L224 HydrophobicContact CG2-CD2 3.43Å; V76-L224 VanDerWaalsContact CG2-CD2 3.43Å; Q177-L224 CarbonylContact C-O 3.45Å; Q177-L224 WeakPolarHBondContact CA-O 3.24Å; Q177-L224 WeakPolarHBondContact CB-O 3.28Å; I178-L224 HydrophobicContact CD1-CB 4.23Å; I178-L224 HydrophobicContact CD1-CD1 4.29Å; I178-L224 HydrophobicContact CG1-CB 3.79Å; I178-L224 PolarHBondContact N-O 3.22Å; I178-L224 PolarHBondContact O-N 3.41Å; I180-L224 HydrophobicContact CG2-CD1 3.76Å; I180-L224 HydrophobicContact CG2-CG 4.2Å; V222-L224 HydrophobicContact CG1-CD2 3.73Å; V222-L224 HydrophobicContact CG1-CG 4.06Å; L224-P230 HydrophobicContact CB-CB 3.89Å; L224-P230 HydrophobicContact CB-CG 3.86Å; L224-P230 HydrophobicContact CD1-CB 4.06Å; L224-P230 HydrophobicContact CD1-CG 4.17Å; L224-P230 HydrophobicContact CD2-CB 4.45Å; L224-P230 HydrophobicContact CG-CB 4.36Å; L224-I232 HydrophobicContact CD1-CB 4.36Å; L224-I232 HydrophobicContact CD1-CG2 4.42Å; L224-F249 HydrophobicContact CD1-CE2 4.46Å
225P92Very high89.6Confident35 Ų3533.7 Ų33.723%0.22720%0.196CC..EExtended strand (participates in β ladder)trans-64.9150.7174.129.5-34.7000110.9T74 S227 P230T74-P225 HydrophobicContact CG2-CG 4Å; T74-P225 WeakPolarHBondContact OG1-CG 3.28Å; P225-S227 VanDerWaalsContact C-N 3.33Å; P225-P230 WeakPolarHBondContact O-CD 3.46Å; P225-P230 WeakPolarHBondContact O-CG 3.47Å
226S88Confident90.3Very high17 Ų1737.3 Ų37.312%0.11921%0.206CC..SBendtrans-79.5-19.2170.467.90000112.8K176K176-S226 WeakPolarHBondContact O-CB 3.05Å; K176-S226 PolarHBondContact O-N 3.1Å; K176-S226 PolarHBondContact O-OG 3.36Å; K176-S226 VanDerWaalsContact O-OG 3.06Å
227S87.5Confident90.4Very high96 Ų9639.2 Ų39.267%0.67122%0.219SC*.SBendtrans-151.2134.2173.5-177.30000109.9P225P225-S227 VanDerWaalsContact C-N 3.33Å
228P88.9Confident90.3Very high44 Ų4439.8 Ų39.829%0.28622%0.218SC..SBendcis-65.3164.3-3.429.7-34.5000111.9T72 P230T72-P228 WeakPolarHBondContact O-CB 3.5Å; T72-P228 WeakPolarHBondContact O-CG 3.43Å; P228-P230 WeakPolarHBondContact O-CD 3.45Å
229L91.5Very high89.6Confident55 Ų5544.8 Ų44.829%0.28825%0.245SC..PPolyproline II helixtrans-62.5126.3-175-71170.9000110.5N73 T74 T250 L252N73-L229 WeakPolarHBondContact CA-O 3.06Å; N73-L229 PolarHBondContact OD1-O 2.97Å; T74-L229 PolarHBondContact N-O 2.04Å; L229-T250 VanDerWaalsContact CD1-O 3.28Å; L229-T250 WeakPolarHBondContact CD1-O 3.12Å; L229-L252 HydrophobicContact CD2-CB 4.05Å; L229-L252 HydrophobicContact CD2-CD1 4.39Å; L229-L252 HydrophobicContact CD2-CG 4.12Å
230P92.3Very high89.3Confident1 Ų150.5 Ų50.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-87.1153.3-176.934.8-35.6000112.3T74 I178 L224 P225 P228 F249 L252T74-P230 CarbonylContact O-C 3.57Å; T74-P230 WeakPolarHBondContact O-CA 3.29Å; I178-P230 HydrophobicContact CD1-CG 4.45Å; L224-P230 HydrophobicContact CB-CB 3.89Å; L224-P230 HydrophobicContact CB-CG 3.86Å; L224-P230 HydrophobicContact CD1-CB 4.06Å; L224-P230 HydrophobicContact CD1-CG 4.17Å; L224-P230 HydrophobicContact CD2-CB 4.45Å; L224-P230 HydrophobicContact CG-CB 4.36Å; P225-P230 WeakPolarHBondContact O-CD 3.46Å; P225-P230 WeakPolarHBondContact O-CG 3.47Å; P228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-F249 HydrophobicContact CG-CB 4.37Å; P230-F249 HydrophobicContact CG-CD2 3.91Å; P230-F249 HydrophobicContact CG-CG 4.38Å; P230-F249 WeakPolarHBondContact O-CB 3.33Å; P230-F249 WeakPolarHBondContact O-CD2 3.31Å; P230-F249 PolarHBondContact O-N 2.94Å; P230-F249 VanDerWaalsContact O-N 3.14Å; P230-L252 HydrophobicContact CG-CD1 3.73Å
231A91.5Very high89.4Confident2 Ų246.2 Ų46.22%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-123.1141.3166.200000109.1L47 T74 F75 V76 V247 N248L47-A231 HydrophobicContact CD1-CB 4.17Å; T74-A231 PolarHBondContact O-N 2.99Å; F75-A231 CarbonylContact C-O 3.52Å; F75-A231 VanDerWaalsContact CA-O 3.3Å; F75-A231 WeakPolarHBondContact CA-O 3.48Å; F75-A231 HydrophobicContact CD2-CB 4.1Å; V76-A231 PolarHBondContact N-O 2.89Å; A231-V247 WeakPolarHBondContact CA-O 3.25Å; A231-N248 VanDerWaalsContact CB-OD1 3.31Å; A231-N248 WeakPolarHBondContact CB-OD1 3.45Å
232I92.9Very high89.3Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-130126.9175.9-175.9165.3000109.8V76 I78 F219 V222 L224 C246 V247V76-I232 HydrophobicContact CB-CD1 4.44Å; V76-I232 HydrophobicContact CB-CG1 4.25Å; V76-I232 HydrophobicContact CG1-CD1 4.28Å; V76-I232 HydrophobicContact CG1-CG1 4.4Å; V76-I232 CarbonylContact O-C 3.36Å; V76-I232 VanDerWaalsContact O-CA 3.29Å; V76-I232 WeakPolarHBondContact O-CA 3.18Å; I78-I232 HydrophobicContact CD1-CD1 3.96Å; F219-I232 HydrophobicContact CD1-CD1 4.06Å; F219-I232 HydrophobicContact CD1-CG1 4.43Å; F219-I232 HydrophobicContact CD2-CD1 3.9Å; F219-I232 HydrophobicContact CE1-CD1 3.98Å; F219-I232 HydrophobicContact CE1-CG1 4.19Å; F219-I232 HydrophobicContact CE1-CG2 4.22Å; F219-I232 HydrophobicContact CE2-CD1 3.82Å; F219-I232 HydrophobicContact CG-CD1 4.03Å; F219-I232 HydrophobicContact CZ-CD1 3.86Å; F219-I232 HydrophobicContact CZ-CG1 4.39Å; F219-I232 HydrophobicContact CZ-CG2 3.96Å; V222-I232 HydrophobicContact CB-CD1 4.34Å; V222-I232 HydrophobicContact CG1-CD1 4.34Å; V222-I232 HydrophobicContact CG2-CD1 4.01Å; L224-I232 HydrophobicContact CD1-CB 4.36Å; L224-I232 HydrophobicContact CD1-CG2 4.42Å; I232-C246 CarbonylContact O-C 3.59Å; I232-C246 WeakPolarHBondContact O-CA 3.19Å; I232-V247 HydrophobicContact CG2-CB 3.81Å; I232-V247 HydrophobicContact CG2-CG2 4.31Å; I232-V247 PolarHBondContact N-O 3.18Å; I232-V247 PolarHBondContact O-N 3.23Å
233C94.8Very high89.3Confident8 Ų843.2 Ų43.25%0.05423%0.233CC..EExtended strand (participates in β ladder)trans-117.6150.8175.5-65.50000110.7F75 V76 Y77 I78 L245 C246F75-C233 HydrophobicContact CE2-CB 4.08Å; F75-C233 WeakPolarHBondContact CE2-SG 3.31Å; F75-C233 HydrophobicContact CZ-CB 3.95Å; V76-C233 PolarHBondContact O-N 2.87Å; Y77-C233 WeakPolarHBondContact CA-O 3.11Å; Y77-C233 HydrophobicContact CD2-CB 4.07Å; I78-C233 PolarHBondContact N-O 3.45Å; C233-L245 CarbonylContact C-O 3.12Å; C233-L245 WeakPolarHBondContact CA-O 3.06Å; C233-C246 HydrophobicContact CB-CB 4.14Å; C233-C246 WeakPolarHBondContact CB-SG 3.23Å; C233-C246 WeakPolarHBondContact SG-CB 3.25Å; C233-C246 CovalentContact SG-SG 2.04Å; C233-C246 PolarHBondContact SG-SG 3.22Å
234S92.9Very high89.4Confident0 Ų038.3 Ų38.30%021%0.212CC..EExtended strand (participates in β ladder)trans-140135.7175.8-63.40000110I78 T80 F82 F219 D244 L245I78-S234 WeakPolarHBondContact O-CA 3.43Å; I78-S234 WeakPolarHBondContact O-CB 3.02Å; T80-S234 WeakPolarHBondContact OG1-CB 3.35Å; F82-S234 WeakPolarHBondContact CE2-O 3.36Å; F82-S234 WeakPolarHBondContact CZ-O 3.27Å; F219-S234 WeakPolarHBondContact CD1-OG 3.44Å; S234-D244 CarbonylContact O-C 3.55Å; S234-D244 WeakPolarHBondContact O-CA 3.45Å; S234-L245 PolarHBondContact N-O 2.86Å; S234-L245 PolarHBondContact O-N 2.81Å
235G91.4Very high89.5Confident0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans171.1166.9-177.400000111.6Y77 I78 P79 T80 V243 D244Y77-G235 VanDerWaalsContact OH-C 3.26Å; Y77-G235 PolarHBondContact OH-O 3.46Å; I78-G235 PolarHBondContact O-N 2.91Å; P79-G235 WeakPolarHBondContact CA-O 3.49Å; T80-G235 PolarHBondContact N-O 2.04Å; T80-G235 CarbonylContact O-C 3.53Å; T80-G235 WeakPolarHBondContact O-CA 3.41Å; G235-V243 WeakPolarHBondContact CA-O 3.09Å; G235-D244 WeakPolarHBondContact CA-OD1 3.47Å
236R87.7Confident89.6Confident137 Ų13736.9 Ų36.952%0.51720%0.202SC..EExtended strand (participates in β ladder)trans-143.1144.9-178-172.8179.6-176.8-175.94.8109T80 E81 K238T80-R236 WeakPolarHBondContact O-CB 3.24Å; T80-R236 PolarHBondContact O-N 3.07Å; E81-R236 IonicContact OE2-CZ 2.74Å; E81-R236 IonicContact OE2-NH1 2.68Å; E81-R236 PolarHBondContact OE2-NH1 3Å; R236-K238 PolarHBondContact O-N 2.94Å
237S84.2Confident90Very high81 Ų8136.1 Ų36.157%0.56620%0.197SC*.EExtended strand (participates in β ladder)trans-66.5131.8172.4-175.80000110.7Y241S237-Y241 CarbonylContact C-O 3.53Å; S237-Y241 WeakPolarHBondContact CA-O 3.33Å
238K82.5Confident90.2Very high55 Ų5532.8 Ų32.824%0.23917%0.172CC..EExtended strand (participates in β ladder)trans-138132.3177.1-169-176.3-168.5-176.40109.7E86 R236 N240 Y241E86-K238 WeakPolarHBondContact OE1-CE 3.29Å; E86-K238 IonicContact OE1-NZ 2.83Å; E86-K238 PolarHBondContact OE1-NZ 2.82Å; R236-K238 PolarHBondContact O-N 2.94Å; K238-N240 PolarHBondContact O-N 2.78Å; K238-Y241 PolarHBondContact N-O 3.45Å; K238-Y241 WeakPolarHBondContact O-CD1 3.35Å; K238-Y241 PolarHBondContact O-N 3.28Å; K238-Y241 VanDerWaalsContact O-O 3.09Å
239N74.5Confident90.4Very high109 Ų10931.1 Ų31.158%0.58316%0.16SC*.THydrogen-bonded Turntrans49.521.6167.3-63-19.4000117Y241N239-Y241 HydrophobicContact CB-CE1 4.45Å
240N83.1Confident90.3Very high125 Ų12530.8 Ų30.867%0.66816%0.161SC*.THydrogen-bonded Turntrans100.19.5-177.1-48.7-43.3000117.3Y38 K238Y38-N240 PolarHBondContact OH-O 2.84Å; K238-N240 PolarHBondContact O-N 2.78Å
241Y90.4Very high90.3Very high12 Ų1232 Ų325%0.04717%0.168CC..EExtended strand (participates in β ladder)trans-137.7168171.964.5-94.7000111.6E84 I89 L93 S237 K238 N239 V243 L276 N277E84-Y241 VanDerWaalsContact OE2-CE2 3.23Å; E84-Y241 WeakPolarHBondContact OE2-CE2 3.46Å; E84-Y241 PolarHBondContact OE2-OH 2.96Å; I89-Y241 HydrophobicContact CD1-CE2 3.78Å; I89-Y241 HydrophobicContact CG2-CD1 4.04Å; I89-Y241 HydrophobicContact CG2-CD2 3.83Å; I89-Y241 HydrophobicContact CG2-CE1 3.95Å; I89-Y241 HydrophobicContact CG2-CE2 3.76Å; I89-Y241 HydrophobicContact CG2-CG 3.97Å; L93-Y241 HydrophobicContact CD1-CD1 3.97Å; L93-Y241 HydrophobicContact CD1-CG 4.06Å; S237-Y241 CarbonylContact C-O 3.53Å; S237-Y241 WeakPolarHBondContact CA-O 3.33Å; K238-Y241 PolarHBondContact N-O 3.45Å; K238-Y241 WeakPolarHBondContact O-CD1 3.35Å; K238-Y241 PolarHBondContact O-N 3.28Å; K238-Y241 VanDerWaalsContact O-O 3.09Å; N239-Y241 HydrophobicContact CB-CE1 4.45Å; Y241-V243 HydrophobicContact CD2-CG2 3.84Å; Y241-V243 HydrophobicContact CE2-CG2 3.78Å; Y241-L276 HydrophobicContact CD2-CD1 4.11Å; Y241-L276 HydrophobicContact CG-CD1 4.41Å; Y241-N277 WeakPolarHBondContact CA-OD1 3.41Å; Y241-N277 VanDerWaalsContact CB-OD1 3.24Å; Y241-N277 WeakPolarHBondContact CB-OD1 3.48Å
242V90Very high90.4Very high21 Ų2132.4 Ų32.413%0.12717%0.17CC..EExtended strand (participates in β ladder)trans-125.7127.2173.7-172.90000108.3D244 L276 N277V242-D244 WeakPolarHBondContact CG1-OD1 3.13Å; V242-L276 CarbonylContact O-C 3.59Å; V242-L276 WeakPolarHBondContact O-CA 3.22Å; V242-N277 PolarHBondContact N-OD1 3.19Å; V242-N277 PolarHBondContact O-N 3.46Å
243V93.5Very high90.3Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-109.8119.2167.6175.90000108.4I89 I153 L154 G235 Y241 V274 V275 L276I89-V243 HydrophobicContact CD1-CG2 3.78Å; I89-V243 HydrophobicContact CG1-CG2 4.42Å; I153-V243 HydrophobicContact CG2-CG1 4.04Å; L154-V243 HydrophobicContact CD2-CG1 3.96Å; G235-V243 WeakPolarHBondContact CA-O 3.09Å; Y241-V243 HydrophobicContact CD2-CG2 3.84Å; Y241-V243 HydrophobicContact CE2-CG2 3.78Å; V243-V274 HydrophobicContact CG1-CG1 3.46Å; V243-V274 VanDerWaalsContact CG1-CG1 3.46Å; V243-V275 WeakPolarHBondContact CA-O 3.31Å; V243-L276 HydrophobicContact CG2-CD1 3.94Å
244D94.6Very high90Very high5 Ų537.7 Ų37.73%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-109.8127.8179.2-66.2-42.2000110.3Y77 S234 G235 V242 V274 V275 R278Y77-D244 WeakPolarHBondContact CE2-OD1 3.07Å; Y77-D244 PolarHBondContact OH-OD1 2.82Å; S234-D244 CarbonylContact O-C 3.55Å; S234-D244 WeakPolarHBondContact O-CA 3.45Å; G235-D244 WeakPolarHBondContact CA-OD1 3.47Å; V242-D244 WeakPolarHBondContact CG1-OD1 3.13Å; D244-V274 CarbonylContact O-C 3.6Å; D244-V274 VanDerWaalsContact O-CA 3.29Å; D244-V274 WeakPolarHBondContact O-CA 3.4Å; D244-V275 HydrophobicContact CB-CB 4.4Å; D244-V275 PolarHBondContact N-O 2.9Å; D244-V275 PolarHBondContact O-N 2.91Å; D244-R278 WeakPolarHBondContact OD2-CG 3.44Å; D244-R278 IonicContact OD2-NE 3.96Å
245L95.3Very high89.6Confident3 Ų342 Ų422%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-90.8118.3165.3-179.162.4000108.8F82 L135 L154 F165 V218 C233 S234 I272 V274F82-L245 HydrophobicContact CE2-CB 4.19Å; F82-L245 HydrophobicContact CZ-CB 3.92Å; L135-L245 HydrophobicContact CD1-CD1 4.44Å; L135-L245 HydrophobicContact CD1-CD2 4.31Å; L135-L245 HydrophobicContact CD2-CD1 4.47Å; L154-L245 HydrophobicContact CD1-CB 3.98Å; L154-L245 HydrophobicContact CD1-CD1 4.06Å; L154-L245 HydrophobicContact CD1-CD2 4.09Å; L154-L245 HydrophobicContact CD1-CG 4.27Å; F165-L245 HydrophobicContact CD2-CD2 3.68Å; F165-L245 HydrophobicContact CE1-CD2 4.44Å; F165-L245 HydrophobicContact CE2-CD2 3.53Å; F165-L245 HydrophobicContact CG-CD2 4.19Å; F165-L245 HydrophobicContact CZ-CD2 3.95Å; V218-L245 HydrophobicContact CG1-CD2 4.39Å; C233-L245 CarbonylContact C-O 3.12Å; C233-L245 WeakPolarHBondContact CA-O 3.06Å; S234-L245 PolarHBondContact N-O 2.86Å; S234-L245 PolarHBondContact O-N 2.81Å; L245-I272 HydrophobicContact CD1-CG2 3.49Å; L245-I272 VanDerWaalsContact CD1-CG2 3.49Å; L245-V274 HydrophobicContact CD1-CG2 4.14Å
246C95Very high89.1Confident3 Ų345.9 Ų45.92%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-117.7137.8-176.2-62.90000111.8I232 C233 I272 Q273I232-C246 CarbonylContact O-C 3.59Å; I232-C246 WeakPolarHBondContact O-CA 3.19Å; C233-C246 HydrophobicContact CB-CB 4.14Å; C233-C246 WeakPolarHBondContact CB-SG 3.23Å; C233-C246 WeakPolarHBondContact SG-CB 3.25Å; C233-C246 CovalentContact SG-SG 2.04Å; C233-C246 PolarHBondContact SG-SG 3.22Å; C246-I272 VanDerWaalsContact O-CA 3.28Å; C246-I272 WeakPolarHBondContact O-CA 3.44Å; C246-Q273 HydrophobicContact CB-CG 3.69Å; C246-Q273 PolarHBondContact N-O 3.45Å; C246-Q273 PolarHBondContact O-N 3.4Å
247V94.6Very high88.5Confident1 Ų141.5 Ų41.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-113.2115.7171-172.50000107.9F165 I167 A231 I232 F249 A270 I272F165-V247 HydrophobicContact CE1-CG2 4.02Å; F165-V247 HydrophobicContact CZ-CG2 3.91Å; I167-V247 HydrophobicContact CG2-CG2 4.43Å; A231-V247 WeakPolarHBondContact CA-O 3.25Å; I232-V247 HydrophobicContact CG2-CB 3.81Å; I232-V247 HydrophobicContact CG2-CG2 4.31Å; I232-V247 PolarHBondContact N-O 3.18Å; I232-V247 PolarHBondContact O-N 3.23Å; V247-F249 HydrophobicContact CG1-CE2 4.15Å; V247-F249 HydrophobicContact CG1-CZ 4.36Å; V247-A270 HydrophobicContact CG1-CB 4.03Å; V247-I272 HydrophobicContact CG2-CG1 4.28Å
248N92.7Very high87.9Confident27 Ų2741.9 Ų41.914%0.14422%0.219CC..EExtended strand (participates in β ladder)trans-108.6114.6179.3-62.5-34.7000109.2A231 A270 S271 Q273A231-N248 VanDerWaalsContact CB-OD1 3.31Å; A231-N248 WeakPolarHBondContact CB-OD1 3.45Å; N248-A270 CarbonylContact O-C 3.5Å; N248-A270 VanDerWaalsContact O-CA 3.23Å; N248-A270 WeakPolarHBondContact O-CA 3.46Å; N248-S271 PolarHBondContact N-O 3.02Å; N248-S271 PolarHBondContact O-N 3.47Å; N248-Q273 PolarHBondContact ND2-NE2 3.42Å; N248-Q273 PolarHBondContact ND2-OE1 2.78Å
249F92.3Very high87.4Confident9 Ų946.3 Ų46.34%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-76.9129.4172.7-71.5-83.9000109.8I178 I180 L224 P230 V247 L252 A270I178-F249 HydrophobicContact CD1-CD2 4.16Å; I178-F249 HydrophobicContact CD1-CE1 4.04Å; I178-F249 HydrophobicContact CD1-CE2 3.64Å; I178-F249 HydrophobicContact CD1-CZ 3.57Å; I180-F249 HydrophobicContact CD1-CE2 3.75Å; I180-F249 HydrophobicContact CD1-CZ 3.59Å; L224-F249 HydrophobicContact CD1-CE2 4.46Å; P230-F249 HydrophobicContact CG-CB 4.37Å; P230-F249 HydrophobicContact CG-CD2 3.91Å; P230-F249 HydrophobicContact CG-CG 4.38Å; P230-F249 WeakPolarHBondContact O-CB 3.33Å; P230-F249 WeakPolarHBondContact O-CD2 3.31Å; P230-F249 PolarHBondContact O-N 2.94Å; P230-F249 VanDerWaalsContact O-N 3.14Å; V247-F249 HydrophobicContact CG1-CE2 4.15Å; V247-F249 HydrophobicContact CG1-CZ 4.36Å; F249-L252 HydrophobicContact CB-CD1 3.99Å; F249-L252 HydrophobicContact CB-CG 4.02Å; F249-L252 HydrophobicContact CD1-CD1 4.23Å; F249-L252 HydrophobicContact CD1-CD2 3.52Å; F249-L252 HydrophobicContact CD1-CG 3.97Å; F249-L252 HydrophobicContact CE1-CD2 3.95Å; F249-L252 HydrophobicContact CG-CD1 4.02Å; F249-L252 HydrophobicContact CG-CD2 4.15Å; F249-L252 HydrophobicContact CG-CG 4.15Å; F249-A270 HydrophobicContact CD1-CB 3.87Å; F249-A270 HydrophobicContact CE1-CB 4.02Å; F249-A270 HydrophobicContact CG-CB 4.41Å
250T91.2Very high87Confident48 Ų4842.2 Ų42.229%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-108.1-16.8177.754.10000111.8L229 C269 K287L229-T250 VanDerWaalsContact CD1-O 3.28Å; L229-T250 WeakPolarHBondContact CD1-O 3.12Å; T250-C269 PolarHBondContact N-O 2.94Å; T250-C269 PolarHBondContact OG1-O 3.01Å; T250-K287 WeakPolarHBondContact OG1-CE 3.2Å; T250-K287 PolarHBondContact OG1-NZ 2.82Å
251T92.1Very high86.1Confident25 Ų2543.7 Ų43.715%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-151.9132.3176.3-47.10000108.8E253 A268 C269T251-E253 HydrophobicContact CG2-CB 4.3Å; T251-E253 HydrophobicContact CG2-CG 3.77Å; T251-A268 CarbonylContact O-C 3.48Å; T251-A268 VanDerWaalsContact O-CA 3.25Å; T251-A268 WeakPolarHBondContact O-CA 3.28Å; T251-C269 PolarHBondContact N-O 2.86Å; T251-C269 PolarHBondContact O-N 2.81Å
252L92.8Very high85Confident12 Ų1247.4 Ų47.46%0.06325%0.25CS..EExtended strand (participates in β ladder)trans-144.281.1174.1-72178.5000108.1I178 L229 P230 F249 F266 A268I178-L252 HydrophobicContact CD1-CD1 3.99Å; I178-L252 HydrophobicContact CD1-CD2 4.24Å; I178-L252 HydrophobicContact CG2-CD1 4.49Å; I178-L252 HydrophobicContact CG2-CD2 4.03Å; L229-L252 HydrophobicContact CD2-CB 4.05Å; L229-L252 HydrophobicContact CD2-CD1 4.39Å; L229-L252 HydrophobicContact CD2-CG 4.12Å; P230-L252 HydrophobicContact CG-CD1 3.73Å; F249-L252 HydrophobicContact CB-CD1 3.99Å; F249-L252 HydrophobicContact CB-CG 4.02Å; F249-L252 HydrophobicContact CD1-CD1 4.23Å; F249-L252 HydrophobicContact CD1-CD2 3.52Å; F249-L252 HydrophobicContact CD1-CG 3.97Å; F249-L252 HydrophobicContact CE1-CD2 3.95Å; F249-L252 HydrophobicContact CG-CD1 4.02Å; F249-L252 HydrophobicContact CG-CD2 4.15Å; F249-L252 HydrophobicContact CG-CG 4.15Å; L252-F266 HydrophobicContact CD2-CE2 4.42Å; L252-F266 HydrophobicContact CD2-CZ 3.77Å; L252-A268 HydrophobicContact CD2-CB 3.82Å
253E90.9Very high84.2Confident105 Ų10551.5 Ų51.549%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-120.2128.7-169.4-71-176.4-18000111.7T251 F266 H267T251-E253 HydrophobicContact CG2-CB 4.3Å; T251-E253 HydrophobicContact CG2-CG 3.77Å; E253-F266 CarbonylContact O-C 3.52Å; E253-F266 WeakPolarHBondContact O-CA 3.42Å; E253-F266 WeakPolarHBondContact O-CD2 3.49Å; E253-H267 PolarHBondContact N-O 2.9Å; E253-H267 PolarHBondContact O-N 3.33Å
254Y88.5Confident83.7Confident13 Ų1351.5 Ų51.55%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-106.1110.5169-175-118.7000109.3V125 Y171 T264 F266 D299 Q302 A303 N306V125-Y254 HydrophobicContact CG1-CE2 3.96Å; V125-Y254 HydrophobicContact CG2-CE2 4.1Å; Y171-Y254 HydrophobicContact CD1-CD2 4.13Å; Y171-Y254 HydrophobicContact CD1-CG 4.37Å; Y171-Y254 HydrophobicContact CE1-CD1 4.11Å; Y171-Y254 AromaticContact CE1-CD2 3.68Å; Y171-Y254 HydrophobicContact CE1-CD2 3.68Å; Y171-Y254 HydrophobicContact CE1-CE2 4.45Å; Y171-Y254 AromaticContact CE1-CG 3.49Å; Y171-Y254 HydrophobicContact CE1-CG 3.49Å; Y171-Y254 VanDerWaalsContact CE1-CG 3.49Å; Y171-Y254 WeakPolarHBondContact OH-CB 3.4Å; Y254-T264 WeakPolarHBondContact OH-CB 3.43Å; Y254-T264 PolarHBondContact OH-OG1 2.73Å; Y254-F266 HydrophobicContact CD2-CB 4.08Å; Y254-D299 VanDerWaalsContact OH-C 3.26Å; Y254-D299 WeakPolarHBondContact OH-CA 3.3Å; Y254-D299 VanDerWaalsContact OH-CB 3.25Å; Y254-D299 WeakPolarHBondContact OH-CB 3.41Å; Y254-D299 PolarHBondContact OH-O 2.95Å; Y254-Q302 HydrophobicContact CE1-CB 4.06Å; Y254-A303 HydrophobicContact CD1-CB 4.3Å; Y254-A303 HydrophobicContact CE1-CB 3.75Å; Y254-N306 PolarHBondContact O-ND2 2.04Å
255K85.3Confident83.3Confident92 Ų9251.3 Ų51.340%0.427%0.265SS..EExtended strand (participates in β ladder)trans-128.2156-17267.7-176.4179.8-174.90112.4T264 V265K255-T264 WeakPolarHBondContact O-CA 3.16Å; K255-V265 HydrophobicContact CD-CG1 4.08Å; K255-V265 VanDerWaalsContact CE-CG1 3.47Å; K255-V265 HydrophobicContact CG-CG1 3.41Å; K255-V265 VanDerWaalsContact CG-CG1 3.41Å; K255-V265 PolarHBondContact N-O 2.85Å; K255-V265 PolarHBondContact O-N 3.06Å
256F79.6Confident83.1Confident80 Ų8051.3 Ų51.335%0.35127%0.265SS..EExtended strand (participates in β ladder)trans-84.8124.9167-173-86.6000108.3K263 T264 A303F256-K263 CarbonylContact C-O 3.57Å; F256-K263 VanDerWaalsContact CA-O 3.24Å; F256-K263 WeakPolarHBondContact CA-O 3.4Å; F256-K263 HydrophobicContact CD2-CB 4.32Å; F256-K263 WeakPolarHBondContact CD2-O 3.42Å; F256-K263 HydrophobicContact CE2-CB 3.67Å; F256-K263 HydrophobicContact CE2-CD 4.24Å; F256-K263 HydrophobicContact CE2-CG 4.32Å; F256-K263 VanDerWaalsContact CG-O 3.31Å; F256-K263 WeakPolarHBondContact CG-O 2.96Å; F256-K263 HydrophobicContact CZ-CB 3.99Å; F256-K263 HydrophobicContact CZ-CD 4.27Å; F256-K263 HydrophobicContact CZ-CG 4.25Å; F256-T264 HydrophobicContact CD2-CG2 4.23Å; F256-A303 HydrophobicContact CB-CB 4.01Å
257D75.5Confident82.9Confident45 Ų4553 Ų5324%0.24127%0.273CS..  trans-110.7108.4175.8-177-9.2000108.2D259 S260 K263 V265D257-D259 PolarHBondContact O-N 2.93Å; D257-D259 PolarHBondContact OD1-N 3.31Å; D257-S260 PolarHBondContact OD1-N 3.28Å; D257-S260 WeakPolarHBondContact OD2-CB 3.1Å; D257-K263 PolarHBondContact N-O 3.14Å; D257-K263 CarbonylContact O-C 3.52Å; D257-K263 VanDerWaalsContact O-CA 3.26Å; D257-K263 WeakPolarHBondContact O-CA 3.14Å; D257-V265 HydrophobicContact CB-CG1 3.95Å
258S70.9Confident82.9Confident90 Ų9053 Ų5363%0.62927%0.273SS*.SBendtrans-68.3-24.4-178.749.90000113.5
259D72Confident82.9Confident147 Ų14751.9 Ų51.979%0.78627%0.267SS*.SBendtrans-96.1-14.3-169.9-55.9-12.9000110.9D257D257-D259 PolarHBondContact O-N 2.93Å; D257-D259 PolarHBondContact OD1-N 3.31Å
260S67.2Low82.9Confident23 Ų2351.4 Ų51.416%0.16127%0.265CS..SBendtrans-81.9134.8171.2-178.60000111.8D257 H262 K263D257-S260 PolarHBondContact OD1-N 3.28Å; D257-S260 WeakPolarHBondContact OD2-CB 3.1Å; S260-H262 PolarHBondContact O-N 3.3Å; S260-H262 PolarHBondContact OG-N 2.9Å; S260-K263 PolarHBondContact O-N 3.31Å
261D64.6Low82.9Confident156 Ų15649.5 Ų49.583%0.83425%0.253SS*.THydrogen-bonded Turntrans-51-25.8169.1-69.9-28.3000112.8
262H67.3Low82.9Confident90 Ų9048.3 Ų48.342%0.41725%0.246SC..THydrogen-bonded Turntrans-88.3-12.4-176.2-64.6-48.9000113.5S260 T264 H293 R294S260-H262 PolarHBondContact O-N 3.3Å; S260-H262 PolarHBondContact OG-N 2.9Å; H262-T264 PolarHBondContact O-N 2.86Å; H262-H293 HydrophobicContact CB-CB 3.84Å; H262-H293 VanDerWaalsContact CD2-CB 3.46Å; H262-H293 WeakPolarHBondContact CD2-CB 3.33Å; H262-H293 AromaticContact CD2-CG 3.94Å; H262-R294 HydrophobicContact CB-CB 3.68Å; H262-R294 WeakPolarHBondContact O-CB 3.34Å; H262-R294 WeakPolarHBondContact O-CD 3.36Å
263K73.3Confident82.9Confident107 Ų10748.9 Ų48.947%0.46525%0.248SC..SBendtrans63.4-31.3179.4-58.8-172.9177.6-174.40117.3F256 D257 S260F256-K263 CarbonylContact C-O 3.57Å; F256-K263 VanDerWaalsContact CA-O 3.24Å; F256-K263 WeakPolarHBondContact CA-O 3.4Å; F256-K263 HydrophobicContact CD2-CB 4.32Å; F256-K263 WeakPolarHBondContact CD2-O 3.42Å; F256-K263 HydrophobicContact CE2-CB 3.67Å; F256-K263 HydrophobicContact CE2-CD 4.24Å; F256-K263 HydrophobicContact CE2-CG 4.32Å; F256-K263 VanDerWaalsContact CG-O 3.31Å; F256-K263 WeakPolarHBondContact CG-O 2.96Å; F256-K263 HydrophobicContact CZ-CB 3.99Å; F256-K263 HydrophobicContact CZ-CD 4.27Å; F256-K263 HydrophobicContact CZ-CG 4.25Å; D257-K263 PolarHBondContact N-O 3.14Å; D257-K263 CarbonylContact O-C 3.52Å; D257-K263 VanDerWaalsContact O-CA 3.26Å; D257-K263 WeakPolarHBondContact O-CA 3.14Å; S260-K263 PolarHBondContact O-N 3.31Å
264T81.9Confident83.1Confident0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-127.2143.717762.80000111.4Y254 K255 F256 H262 R294 A303Y254-T264 WeakPolarHBondContact OH-CB 3.43Å; Y254-T264 PolarHBondContact OH-OG1 2.73Å; K255-T264 WeakPolarHBondContact O-CA 3.16Å; F256-T264 HydrophobicContact CD2-CG2 4.23Å; H262-T264 PolarHBondContact O-N 2.86Å; T264-R294 PolarHBondContact O-N 3.11Å; T264-A303 HydrophobicContact CG2-CB 3.51Å
265V86.7Confident83.3Confident2 Ų243.9 Ų43.91%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-140.8133.8179.6640000109.4K255 D257 D291 A292K255-V265 HydrophobicContact CD-CG1 4.08Å; K255-V265 VanDerWaalsContact CE-CG1 3.47Å; K255-V265 HydrophobicContact CG-CG1 3.41Å; K255-V265 VanDerWaalsContact CG-CG1 3.41Å; K255-V265 PolarHBondContact N-O 2.85Å; K255-V265 PolarHBondContact O-N 3.06Å; D257-V265 HydrophobicContact CB-CG1 3.95Å; V265-D291 HydrophobicContact CG2-CB 3.87Å; V265-A292 WeakPolarHBondContact CA-O 3.39Å
266F90.4Very high83.7Confident3 Ų339.5 Ų39.51%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-95.3114.1162.5174.6-107.9000108.1V125 Y171 I178 L252 E253 Y254 A268 F290 D291 A292V125-F266 HydrophobicContact CG2-CB 4.34Å; Y171-F266 HydrophobicContact CD1-CB 4.1Å; Y171-F266 AromaticContact CD1-CD2 3.58Å; Y171-F266 HydrophobicContact CD1-CD2 3.58Å; Y171-F266 HydrophobicContact CD1-CE2 4.17Å; Y171-F266 AromaticContact CD1-CG 3.87Å; Y171-F266 HydrophobicContact CD1-CG 3.87Å; Y171-F266 AromaticContact CD2-CD2 3.66Å; Y171-F266 HydrophobicContact CD2-CD2 3.66Å; Y171-F266 AromaticContact CD2-CE2 3.33Å; Y171-F266 HydrophobicContact CD2-CE2 3.33Å; Y171-F266 HydrophobicContact CD2-CG 4.4Å; Y171-F266 AromaticContact CD2-CZ 3.85Å; Y171-F266 HydrophobicContact CD2-CZ 3.85Å; Y171-F266 HydrophobicContact CE1-CD2 4.04Å; Y171-F266 HydrophobicContact CE2-CD2 4.1Å; Y171-F266 AromaticContact CE2-CE2 3.85Å; Y171-F266 HydrophobicContact CE2-CE2 3.85Å; Y171-F266 HydrophobicContact CG-CB 4.41Å; Y171-F266 HydrophobicContact CG-CD1 4.19Å; Y171-F266 AromaticContact CG-CD2 3.37Å; Y171-F266 HydrophobicContact CG-CD2 3.37Å; Y171-F266 HydrophobicContact CG-CE1 4.3Å; Y171-F266 AromaticContact CG-CE2 3.51Å; Y171-F266 HydrophobicContact CG-CE2 3.51Å; Y171-F266 AromaticContact CG-CG 3.72Å; Y171-F266 HydrophobicContact CG-CG 3.72Å; Y171-F266 AromaticContact CG-CZ 3.97Å; Y171-F266 HydrophobicContact CG-CZ 3.97Å; I178-F266 HydrophobicContact CG2-CZ 3.84Å; L252-F266 HydrophobicContact CD2-CE2 4.42Å; L252-F266 HydrophobicContact CD2-CZ 3.77Å; E253-F266 CarbonylContact O-C 3.52Å; E253-F266 WeakPolarHBondContact O-CA 3.42Å; E253-F266 WeakPolarHBondContact O-CD2 3.49Å; Y254-F266 HydrophobicContact CD2-CB 4.08Å; F266-A268 HydrophobicContact CD1-CB 4.49Å; F266-A268 HydrophobicContact CE1-CB 3.67Å; F266-A268 HydrophobicContact CZ-CB 3.83Å; F266-F290 HydrophobicContact CD1-CE2 4.27Å; F266-F290 AromaticContact CE1-CE2 3.93Å; F266-F290 HydrophobicContact CE1-CE2 3.93Å; F266-F290 HydrophobicContact CE1-CZ 4.35Å; F266-D291 WeakPolarHBondContact O-CA 3.42Å; F266-A292 HydrophobicContact CB-CB 4.39Å; F266-A292 PolarHBondContact N-O 3.24Å; F266-A292 PolarHBondContact O-N 3.35Å
267H92Very high84.2Confident39 Ų3938.2 Ų38.218%0.18120%0.204CC..EExtended strand (participates in β ladder)trans-105126.2177.5-18069.5000109.2E253 C269 D291E253-H267 PolarHBondContact N-O 2.9Å; E253-H267 PolarHBondContact O-N 3.33Å; H267-C269 PolarHBondContact NE2-SG 2.84Å; H267-D291 WeakPolarHBondContact CB-OD1 3.49Å; H267-D291 IonicContact CE1-OD1 3.22Å; H267-D291 IonicContact CG-OD1 3.81Å; H267-D291 IonicContact ND1-OD1 3.4Å; H267-D291 PolarHBondContact ND1-OD1 3.39Å
268A93.6Very high84.9Confident0 Ų042.1 Ų42.10%022%0.215CC..EExtended strand (participates in β ladder)trans-133.2141.9176.900000111T251 L252 F266 C289 F290T251-A268 CarbonylContact O-C 3.48Å; T251-A268 VanDerWaalsContact O-CA 3.25Å; T251-A268 WeakPolarHBondContact O-CA 3.28Å; L252-A268 HydrophobicContact CD2-CB 3.82Å; F266-A268 HydrophobicContact CD1-CB 4.49Å; F266-A268 HydrophobicContact CE1-CB 3.67Å; F266-A268 HydrophobicContact CZ-CB 3.83Å; A268-C289 CarbonylContact O-C 3.57Å; A268-C289 WeakPolarHBondContact O-CA 3.44Å; A268-F290 HydrophobicContact CB-CD1 4.31Å; A268-F290 HydrophobicContact CB-CD2 4.3Å; A268-F290 HydrophobicContact CB-CE1 3.74Å; A268-F290 HydrophobicContact CB-CE2 3.73Å; A268-F290 HydrophobicContact CB-CZ 3.42Å; A268-F290 VanDerWaalsContact CB-CZ 3.42Å; A268-F290 PolarHBondContact N-O 3.3Å; A268-F290 PolarHBondContact O-N 3.02Å
269C93.5Very high85.7Confident3 Ų344.2 Ų44.22%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-132.7141.5170-57.80000110.9T250 T251 H267 K287 F288 C289T250-C269 PolarHBondContact N-O 2.94Å; T250-C269 PolarHBondContact OG1-O 3.01Å; T251-C269 PolarHBondContact N-O 2.86Å; T251-C269 PolarHBondContact O-N 2.81Å; H267-C269 PolarHBondContact NE2-SG 2.84Å; C269-K287 HydrophobicContact CB-CD 4.35Å; C269-K287 HydrophobicContact CB-CG 4.29Å; C269-F288 CarbonylContact C-O 3.51Å; C269-F288 VanDerWaalsContact CA-O 3.25Å; C269-F288 WeakPolarHBondContact CA-O 3.41Å; C269-C289 HydrophobicContact CB-CB 4.08Å; C269-C289 WeakPolarHBondContact CB-SG 3.07Å; C269-C289 WeakPolarHBondContact SG-CB 2.85Å; C269-C289 CovalentContact SG-SG 2.04Å; C269-C289 PolarHBondContact SG-SG 2.99Å
270A92.8Very high86.7Confident0 Ų039 Ų390%019%0.187CC..EExtended strand (participates in β ladder)trans-139.7157.3176.500000111.4V247 N248 F249 K287 F288V247-A270 HydrophobicContact CG1-CB 4.03Å; N248-A270 CarbonylContact O-C 3.5Å; N248-A270 VanDerWaalsContact O-CA 3.23Å; N248-A270 WeakPolarHBondContact O-CA 3.46Å; F249-A270 HydrophobicContact CD1-CB 3.87Å; F249-A270 HydrophobicContact CE1-CB 4.02Å; F249-A270 HydrophobicContact CG-CB 4.41Å; A270-K287 WeakPolarHBondContact O-CA 3.34Å; A270-F288 HydrophobicContact CB-CE1 4.16Å; A270-F288 HydrophobicContact CB-CE2 4.13Å; A270-F288 HydrophobicContact CB-CZ 3.69Å; A270-F288 PolarHBondContact N-O 3.27Å; A270-F288 WeakPolarHBondContact O-CD1 3.44Å; A270-F288 PolarHBondContact O-N 3.5Å
271S90.8Very high87.9Confident7 Ų739.3 Ų39.35%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-121.5149.9169.261.40000109.1N248N248-S271 PolarHBondContact N-O 3.02Å; N248-S271 PolarHBondContact O-N 3.47Å
272I92.5Very high89.1Confident0 Ų032 Ų320%015%0.149CC..EExtended strand (participates in β ladder)trans-116.2140.6178.1-63.7160.6000107.9F118 L135 F165 L245 C246 V247 Y285 F288F118-I272 HydrophobicContact CD1-CD1 4.16Å; F118-I272 HydrophobicContact CD2-CD1 4.25Å; F118-I272 HydrophobicContact CE1-CD1 3.46Å; F118-I272 VanDerWaalsContact CE1-CD1 3.46Å; F118-I272 HydrophobicContact CE2-CD1 3.58Å; F118-I272 HydrophobicContact CZ-CD1 3.15Å; L135-I272 HydrophobicContact CD2-CG2 4.47Å; F165-I272 HydrophobicContact CD1-CD1 3.69Å; F165-I272 HydrophobicContact CE1-CD1 3.63Å; F165-I272 HydrophobicContact CE1-CG1 4.26Å; L245-I272 HydrophobicContact CD1-CG2 3.49Å; L245-I272 VanDerWaalsContact CD1-CG2 3.49Å; C246-I272 VanDerWaalsContact O-CA 3.28Å; C246-I272 WeakPolarHBondContact O-CA 3.44Å; V247-I272 HydrophobicContact CG2-CG1 4.28Å; I272-Y285 HydrophobicContact CB-CD2 3.8Å; I272-Y285 HydrophobicContact CB-CG 4.41Å; I272-Y285 HydrophobicContact CG2-CD2 3.59Å; I272-Y285 HydrophobicContact CG2-CE2 4.02Å; I272-Y285 WeakPolarHBondContact O-CD2 3.42Å; I272-Y285 PolarHBondContact O-N 3.46Å; I272-F288 HydrophobicContact CD1-CE1 3.59Å; I272-F288 HydrophobicContact CD1-CZ 4.23Å; I272-F288 HydrophobicContact CG1-CE1 3.97Å
273Q92.8Very high90.2Very high25 Ų2527.7 Ų27.712%0.11713%0.129CC..EExtended strand (participates in β ladder)trans-142.4152.9176.864.1-172.617.700110.8C246 N248 V275 V281 A283C246-Q273 HydrophobicContact CB-CG 3.69Å; C246-Q273 PolarHBondContact N-O 3.45Å; C246-Q273 PolarHBondContact O-N 3.4Å; N248-Q273 PolarHBondContact ND2-NE2 3.42Å; N248-Q273 PolarHBondContact ND2-OE1 2.78Å; Q273-V275 HydrophobicContact CG-CG2 4.05Å; Q273-V281 HydrophobicContact CB-CG1 4.18Å; Q273-A283 CarbonylContact C-O 3.53Å; Q273-A283 VanDerWaalsContact CA-O 3.24Å; Q273-A283 WeakPolarHBondContact CA-O 3.19Å
274V93.9Very high91Very high0 Ų024.3 Ų24.30%011%0.113CC..EExtended strand (participates in β ladder)trans-110.5125.2171.1-174.80000108I153 L154 V243 D244 L245 I282 A283 Y285I153-V274 HydrophobicContact CD1-CB 4.21Å; I153-V274 HydrophobicContact CD1-CG1 4.14Å; I153-V274 HydrophobicContact CG2-CG1 4.02Å; L154-V274 HydrophobicContact CD1-CG2 4.39Å; V243-V274 HydrophobicContact CG1-CG1 3.46Å; V243-V274 VanDerWaalsContact CG1-CG1 3.46Å; D244-V274 CarbonylContact O-C 3.6Å; D244-V274 VanDerWaalsContact O-CA 3.29Å; D244-V274 WeakPolarHBondContact O-CA 3.4Å; L245-V274 HydrophobicContact CD1-CG2 4.14Å; V274-I282 HydrophobicContact CB-CG1 4.31Å; V274-I282 HydrophobicContact CG1-CD1 4.17Å; V274-I282 HydrophobicContact CG1-CG1 4.05Å; V274-I282 WeakPolarHBondContact O-CG1 3.1Å; V274-I282 PolarHBondContact O-N 2.86Å; V274-A283 HydrophobicContact CB-CB 4.04Å; V274-A283 HydrophobicContact CG2-CB 4.09Å; V274-A283 PolarHBondContact N-O 2.94Å; V274-A283 PolarHBondContact O-N 2.85Å; V274-Y285 HydrophobicContact CG2-CE2 4.07Å
275V94Very high91.3Very high13 Ų1324.4 Ų24.48%0.07911%0.114CC..EExtended strand (participates in β ladder)trans-116.2126.9-175.4-169.80000109.7V243 D244 Q273 F280 V281V243-V275 WeakPolarHBondContact CA-O 3.31Å; D244-V275 HydrophobicContact CB-CB 4.4Å; D244-V275 PolarHBondContact N-O 2.9Å; D244-V275 PolarHBondContact O-N 2.91Å; Q273-V275 HydrophobicContact CG-CG2 4.05Å; V275-F280 CarbonylContact C-O 3.53Å; V275-F280 VanDerWaalsContact CA-O 3.3Å; V275-F280 WeakPolarHBondContact CA-O 3.48Å; V275-V281 HydrophobicContact CG2-CG2 4.45Å
276L93.1Very high91.2Very high0 Ų024.7 Ų24.70%012%0.115CC..EExtended strand (participates in β ladder)trans-97.2131.9175.9-179.464000110.5I89 L92 L93 A100 Y241 V242 V243 R278 M279 F280 I282I89-L276 HydrophobicContact CG2-CD1 3.96Å; L92-L276 HydrophobicContact CB-CD2 4.18Å; L93-L276 HydrophobicContact CD2-CD1 4.44Å; L93-L276 HydrophobicContact CD2-CD2 3.74Å; L93-L276 HydrophobicContact CD2-CG 4.2Å; L93-L276 HydrophobicContact CG-CD2 4.07Å; A100-L276 HydrophobicContact CB-CD2 4.06Å; Y241-L276 HydrophobicContact CD2-CD1 4.11Å; Y241-L276 HydrophobicContact CG-CD1 4.41Å; V242-L276 CarbonylContact O-C 3.59Å; V242-L276 WeakPolarHBondContact O-CA 3.22Å; V243-L276 HydrophobicContact CG2-CD1 3.94Å; L276-R278 PolarHBondContact O-N 2.68Å; L276-M279 PolarHBondContact O-N 3.28Å; L276-F280 HydrophobicContact CB-CB 4.44Å; L276-F280 PolarHBondContact N-O 2.86Å; L276-F280 PolarHBondContact O-N 2.93Å; L276-I282 HydrophobicContact CB-CD1 3.86Å; L276-I282 HydrophobicContact CB-CG1 4.08Å; L276-I282 HydrophobicContact CB-CG2 3.85Å; L276-I282 HydrophobicContact CD2-CG2 4.25Å
277N90.8Very high91.1Very high52 Ų5229.4 Ų29.428%0.27814%0.136SC..THydrogen-bonded Turntrans50.227.3-177.1-70.6-13.2000113.6Y241 V242 M279Y241-N277 WeakPolarHBondContact CA-OD1 3.41Å; Y241-N277 VanDerWaalsContact CB-OD1 3.24Å; Y241-N277 WeakPolarHBondContact CB-OD1 3.48Å; V242-N277 PolarHBondContact N-OD1 3.19Å; V242-N277 PolarHBondContact O-N 3.46Å; N277-M279 WeakPolarHBondContact O-CG 3.45Å; N277-M279 PolarHBondContact O-N 2.7Å; N277-M279 VanDerWaalsContact O-N 3.1Å
278R88.6Confident91Very high128 Ų12827.9 Ų27.948%0.48313%0.129SC..THydrogen-bonded Turntrans56.821.1-174.7-59.8168-178.9179.40.2113.7Y77 D244 L276Y77-R278 PolarHBondContact OH-NH2 2.9Å; Y77-R278 VanDerWaalsContact OH-NH2 3.1Å; D244-R278 WeakPolarHBondContact OD2-CG 3.44Å; D244-R278 IonicContact OD2-NE 3.96Å; L276-R278 PolarHBondContact O-N 2.68Å
279M88.8Confident90.9Very high133 Ų13330.9 Ų30.966%0.65515%0.149SC*.THydrogen-bonded Turntrans-124.9-48.2-174.3-73.4179.965.200112.3L276 N277L276-M279 PolarHBondContact O-N 3.28Å; N277-M279 WeakPolarHBondContact O-CG 3.45Å; N277-M279 PolarHBondContact O-N 2.7Å; N277-M279 VanDerWaalsContact O-N 3.1Å
280F92.1Very high90.8Very high39 Ų3931.2 Ų31.217%0.17115%0.15CC..EExtended strand (participates in β ladder)trans-106.8121.1-170.5-54.3-66.8000110.3A100 A101 V275 L276 I282A100-F280 HydrophobicContact CB-CB 3.84Å; A100-F280 HydrophobicContact CB-CD1 4.46Å; A100-F280 HydrophobicContact CB-CD2 3.86Å; A100-F280 HydrophobicContact CB-CG 3.8Å; A101-F280 HydrophobicContact CB-CD1 4.11Å; A101-F280 HydrophobicContact CB-CE1 3.81Å; V275-F280 CarbonylContact C-O 3.53Å; V275-F280 VanDerWaalsContact CA-O 3.3Å; V275-F280 WeakPolarHBondContact CA-O 3.48Å; L276-F280 HydrophobicContact CB-CB 4.44Å; L276-F280 PolarHBondContact N-O 2.86Å; L276-F280 PolarHBondContact O-N 2.93Å; F280-I282 HydrophobicContact CB-CG2 3.99Å; F280-I282 PolarHBondContact O-N 3.29Å
281V91.7Very high90.6Very high29 Ų2934.7 Ų34.718%0.17617%0.169CC..EExtended strand (participates in β ladder)trans-73.8107.6168.2178.90000107.2S104 F107 Q273 V275 R284S104-V281 WeakPolarHBondContact CA-O 3.43Å; S104-V281 PolarHBondContact N-O 2.81Å; S104-V281 PolarHBondContact OG-N 2.58Å; S104-V281 VanDerWaalsContact OG-N 3.08Å; F107-V281 HydrophobicContact CB-CG1 4Å; F107-V281 WeakPolarHBondContact CD2-O 3.49Å; Q273-V281 HydrophobicContact CB-CG1 4.18Å; V275-V281 HydrophobicContact CG2-CG2 4.45Å; V281-R284 HydrophobicContact CG1-CB 4.41Å
282I91Very high90.4Very high2 Ų234.6 Ų34.61%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-104.7-7.2-175.157.1159.5000113.1L92 A100 F107 I153 V274 L276 F280L92-I282 HydrophobicContact CD1-CB 4.08Å; L92-I282 HydrophobicContact CD1-CD1 3.84Å; L92-I282 HydrophobicContact CD1-CG2 4.02Å; A100-I282 HydrophobicContact CB-CG2 3.92Å; F107-I282 VanDerWaalsContact CE2-C 3.44Å; F107-I282 WeakPolarHBondContact CE2-O 2.91Å; I153-I282 HydrophobicContact CD1-CB 4.37Å; I153-I282 HydrophobicContact CD1-CD1 3.59Å; I153-I282 HydrophobicContact CD1-CG1 3.79Å; I153-I282 HydrophobicContact CG1-CD1 4.09Å; I153-I282 HydrophobicContact CG2-CD1 4.13Å; V274-I282 HydrophobicContact CB-CG1 4.31Å; V274-I282 HydrophobicContact CG1-CD1 4.17Å; V274-I282 HydrophobicContact CG1-CG1 4.05Å; V274-I282 WeakPolarHBondContact O-CG1 3.1Å; V274-I282 PolarHBondContact O-N 2.86Å; L276-I282 HydrophobicContact CB-CD1 3.86Å; L276-I282 HydrophobicContact CB-CG1 4.08Å; L276-I282 HydrophobicContact CB-CG2 3.85Å; L276-I282 HydrophobicContact CD2-CG2 4.25Å; F280-I282 HydrophobicContact CB-CG2 3.99Å; F280-I282 PolarHBondContact O-N 3.29Å
283A90.8Very high89.9Confident0 Ų037.8 Ų37.80%018%0.183CC..EExtended strand (participates in β ladder)trans-152.6145.5162.200000109.8P137 I153 Q273 V274 Y285P137-A283 HydrophobicContact CB-CB 4.25Å; P137-A283 HydrophobicContact CG-CB 3.85Å; I153-A283 HydrophobicContact CD1-CB 3.64Å; Q273-A283 CarbonylContact C-O 3.53Å; Q273-A283 VanDerWaalsContact CA-O 3.24Å; Q273-A283 WeakPolarHBondContact CA-O 3.19Å; V274-A283 HydrophobicContact CB-CB 4.04Å; V274-A283 HydrophobicContact CG2-CB 4.09Å; V274-A283 PolarHBondContact N-O 2.94Å; V274-A283 PolarHBondContact O-N 2.85Å; A283-Y285 HydrophobicContact CB-CE2 4.41Å
284R88.5Confident89Confident36 Ų3640.4 Ų40.414%0.13619%0.192CC..EExtended strand (participates in β ladder)trans-133.1139.5171.4-171.8171.2-170.4166.51.6109F107 E110 F113 V281F107-R284 HydrophobicContact CB-CB 3.99Å; F107-R284 HydrophobicContact CD1-CB 3.94Å; F107-R284 HydrophobicContact CG-CB 4.05Å; F107-R284 VanDerWaalsContact O-CD 3.28Å; F107-R284 WeakPolarHBondContact O-CD 3.41Å; F107-R284 PolarHBondContact O-NH1 2.84Å; F107-R284 VanDerWaalsContact O-NH1 3.1Å; E110-R284 IonicContact OE1-CZ 2.86Å; E110-R284 IonicContact OE1-NH2 3.93Å; E110-R284 PolarHBondContact OE1-NH2 2.96Å; F113-R284 WeakPolarHBondContact CE1-O 3.24Å; F113-R284 HydrophobicContact CE2-CB 4.17Å; F113-R284 HydrophobicContact CE2-CG 4.09Å; F113-R284 HydrophobicContact CZ-CB 3.99Å; F113-R284 HydrophobicContact CZ-CG 4.4Å; F113-R284 WeakPolarHBondContact CZ-O 3.45Å; V281-R284 HydrophobicContact CG1-CB 4.41Å
285Y88.5Confident87.6Confident1 Ų141.3 Ų41.30%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-109.1145.1178-57.2-83.8000109.6F118 L135 I272 V274 A283 K287F118-Y285 HydrophobicContact CE2-CG 4.34Å; L135-Y285 VanDerWaalsContact C-OH 3.24Å; L135-Y285 VanDerWaalsContact CA-OH 3.31Å; L135-Y285 WeakPolarHBondContact CA-OH 3.49Å; L135-Y285 HydrophobicContact CB-CE1 4.39Å; L135-Y285 WeakPolarHBondContact CB-OH 3.33Å; L135-Y285 HydrophobicContact CD2-CD2 4.29Å; L135-Y285 HydrophobicContact CD2-CE1 4.16Å; L135-Y285 HydrophobicContact CD2-CE2 3.71Å; L135-Y285 PolarHBondContact O-OH 3.18Å; I272-Y285 HydrophobicContact CB-CD2 3.8Å; I272-Y285 HydrophobicContact CB-CG 4.41Å; I272-Y285 HydrophobicContact CG2-CD2 3.59Å; I272-Y285 HydrophobicContact CG2-CE2 4.02Å; I272-Y285 WeakPolarHBondContact O-CD2 3.42Å; I272-Y285 PolarHBondContact O-N 3.46Å; V274-Y285 HydrophobicContact CG2-CE2 4.07Å; A283-Y285 HydrophobicContact CB-CE2 4.41Å; Y285-K287 PolarHBondContact O-N 2.81Å
286P85.6Confident85.7Confident8 Ų844 Ų445%0.05223%0.225CC..EExtended strand (participates in β ladder)trans-51.2141.9177.5-1.7-7.2000111.8F113 N115 T117 F288F113-P286 HydrophobicContact CB-CB 3.66Å; F113-P286 HydrophobicContact CB-CG 3.83Å; F113-P286 HydrophobicContact CD1-CG 4.44Å; F113-P286 HydrophobicContact CG-CB 4.32Å; F113-P286 HydrophobicContact CG-CG 4.27Å; N115-P286 WeakPolarHBondContact O-CG 3.36Å; T117-P286 HydrophobicContact CG2-CG 3.77Å; T117-P286 WeakPolarHBondContact OG1-CD 3.48Å; P286-F288 PolarHBondContact O-N 3.42Å
287K88.6Confident83.8Confident102 Ų10247.9 Ų47.944%0.44326%0.257SS..EExtended strand (participates in β ladder)trans-57.5132172.6179.4177.4174.1171.20108.9T250 C269 A270 Y285T250-K287 WeakPolarHBondContact OG1-CE 3.2Å; T250-K287 PolarHBondContact OG1-NZ 2.82Å; C269-K287 HydrophobicContact CB-CD 4.35Å; C269-K287 HydrophobicContact CB-CG 4.29Å; A270-K287 WeakPolarHBondContact O-CA 3.34Å; Y285-K287 PolarHBondContact O-N 2.81Å
288F89.7Confident82.2Confident8 Ų847.5 Ų47.54%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-116.6147.8170.962.7-87.8000109.3F118 C131 I167 C269 A270 I272 P286 F290F118-F288 HydrophobicContact CB-CB 3.83Å; F118-F288 HydrophobicContact CB-CD1 3.78Å; F118-F288 HydrophobicContact CB-CD2 4.46Å; F118-F288 HydrophobicContact CB-CG 3.75Å; F118-F288 HydrophobicContact CD1-CD1 4.36Å; F118-F288 HydrophobicContact CD1-CE1 4.3Å; F118-F288 HydrophobicContact CD2-CD1 4.04Å; F118-F288 HydrophobicContact CD2-CE1 4.42Å; F118-F288 AromaticContact CG-CD1 3.79Å; F118-F288 HydrophobicContact CG-CD1 3.79Å; F118-F288 HydrophobicContact CG-CE1 4.14Å; F118-F288 HydrophobicContact CG-CG 4.25Å; C131-F288 HydrophobicContact CB-CD2 4.08Å; C131-F288 HydrophobicContact CB-CE2 3.82Å; I167-F288 HydrophobicContact CD1-CE2 3.71Å; I167-F288 HydrophobicContact CD1-CZ 3.5Å; I167-F288 HydrophobicContact CG1-CE2 4.49Å; I167-F288 HydrophobicContact CG1-CZ 4.32Å; C269-F288 CarbonylContact C-O 3.51Å; C269-F288 VanDerWaalsContact CA-O 3.25Å; C269-F288 WeakPolarHBondContact CA-O 3.41Å; A270-F288 HydrophobicContact CB-CE1 4.16Å; A270-F288 HydrophobicContact CB-CE2 4.13Å; A270-F288 HydrophobicContact CB-CZ 3.69Å; A270-F288 PolarHBondContact N-O 3.27Å; A270-F288 WeakPolarHBondContact O-CD1 3.44Å; A270-F288 PolarHBondContact O-N 3.5Å; I272-F288 HydrophobicContact CD1-CE1 3.59Å; I272-F288 HydrophobicContact CD1-CZ 4.23Å; I272-F288 HydrophobicContact CG1-CE1 3.97Å; P286-F288 PolarHBondContact O-N 3.42Å; F288-F290 HydrophobicContact CD2-CD1 4.46Å; F288-F290 HydrophobicContact CE2-CD1 4.42Å; F288-F290 HydrophobicContact CE2-CE1 4.48Å
289C91.9Very high80.5Confident63 Ų6342.1 Ų42.143%0.42625%0.246SC..EExtended strand (participates in β ladder)trans-128.9152178.5-61.10000109.5A268 C269A268-C289 CarbonylContact O-C 3.57Å; A268-C289 WeakPolarHBondContact O-CA 3.44Å; C269-C289 HydrophobicContact CB-CB 4.08Å; C269-C289 WeakPolarHBondContact CB-SG 3.07Å; C269-C289 WeakPolarHBondContact SG-CB 2.85Å; C269-C289 CovalentContact SG-SG 2.04Å; C269-C289 PolarHBondContact SG-SG 2.99Å
290F89.9Confident78.9Confident9 Ų936.9 Ų36.94%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-146.5150.217664.7-96.7000111.3C120 C122 C129 C131 T169 F266 A268 F288C120-F290 HydrophobicContact CB-CB 3.82Å; C122-F290 VanDerWaalsContact SG-CB 3.57Å; C122-F290 VanDerWaalsContact SG-CD2 3.5Å; C129-F290 HydrophobicContact CB-CD2 3.86Å; C129-F290 HydrophobicContact CB-CE2 3.82Å; C129-F290 HydrophobicContact CB-CZ 4.49Å; C129-F290 VanDerWaalsContact SG-CD2 3.56Å; C131-F290 WeakPolarHBondContact SG-CD1 3.25Å; T169-F290 HydrophobicContact CG2-CZ 3.96Å; F266-F290 HydrophobicContact CD1-CE2 4.27Å; F266-F290 AromaticContact CE1-CE2 3.93Å; F266-F290 HydrophobicContact CE1-CE2 3.93Å; F266-F290 HydrophobicContact CE1-CZ 4.35Å; A268-F290 HydrophobicContact CB-CD1 4.31Å; A268-F290 HydrophobicContact CB-CD2 4.3Å; A268-F290 HydrophobicContact CB-CE1 3.74Å; A268-F290 HydrophobicContact CB-CE2 3.73Å; A268-F290 HydrophobicContact CB-CZ 3.42Å; A268-F290 VanDerWaalsContact CB-CZ 3.42Å; A268-F290 PolarHBondContact N-O 3.3Å; A268-F290 PolarHBondContact O-N 3.02Å; F288-F290 HydrophobicContact CD2-CD1 4.46Å; F288-F290 HydrophobicContact CE2-CD1 4.42Å; F288-F290 HydrophobicContact CE2-CE1 4.48Å
291D89.2Confident77.2Confident73 Ų7340.3 Ų40.339%0.3924%0.244SC..EExtended strand (participates in β ladder)trans-118126.4178.6-68.9-41.3000109.6V265 F266 H267V265-D291 HydrophobicContact CG2-CB 3.87Å; F266-D291 WeakPolarHBondContact O-CA 3.42Å; H267-D291 WeakPolarHBondContact CB-OD1 3.49Å; H267-D291 IonicContact CE1-OD1 3.22Å; H267-D291 IonicContact CG-OD1 3.81Å; H267-D291 IonicContact ND1-OD1 3.4Å; H267-D291 PolarHBondContact ND1-OD1 3.39Å
292A86.5Confident75.6Confident5 Ų541.8 Ų41.84%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-107.3115.6166.500000108.3C122 V125 V265 F266C122-A292 HydrophobicContact CB-CB 4.49Å; V125-A292 WeakPolarHBondContact CG2-O 3.25Å; V265-A292 WeakPolarHBondContact CA-O 3.39Å; F266-A292 HydrophobicContact CB-CB 4.39Å; F266-A292 PolarHBondContact N-O 3.24Å; F266-A292 PolarHBondContact O-N 3.35Å
293H82.7Confident73.9Confident67 Ų6741.8 Ų41.831%0.3125%0.25SC..EExtended strand (participates in β ladder)trans-89.2154.2179.9-64-79.9000111.9R124 V125 H262R124-H293 CarbonylContact C-O 3.57Å; R124-H293 WeakPolarHBondContact CA-O 3.42Å; V125-H293 PolarHBondContact N-O 3.22Å; H262-H293 HydrophobicContact CB-CB 3.84Å; H262-H293 VanDerWaalsContact CD2-CB 3.46Å; H262-H293 WeakPolarHBondContact CD2-CB 3.33Å; H262-H293 AromaticContact CD2-CG 3.94Å
294R72.8Confident72.2Confident81 Ų8144.3 Ų44.331%0.30627%0.268SS..  trans-22.5132.7-173.5-178.7176.4168.1-161.14.6117.4H262 T264 D299H262-R294 HydrophobicContact CB-CB 3.68Å; H262-R294 WeakPolarHBondContact O-CB 3.34Å; H262-R294 WeakPolarHBondContact O-CD 3.36Å; T264-R294 PolarHBondContact O-N 3.11Å; R294-D299 HydrophobicContact CG-CB 4.48Å
295G64.4Low70.6Confident19 Ų1947 Ų4720%0.19629%0.285CS..  trans-92.8-112.7165.800000112.6D299G295-D299 WeakPolarHBondContact CA-OD2 3.49Å; G295-D299 PolarHBondContact N-OD2 3.24Å
296A54.5Low68.9Low69 Ų6950 Ų5057%0.5730%0.301SS*.SBendtrans-79.9168.8-171.200000112.8G298 D299A296-G298 VanDerWaalsContact C-N 3.27Å; A296-G298 PolarHBondContact O-N 2.94Å; A296-D299 PolarHBondContact N-OD2 3Å; A296-D299 VanDerWaalsContact N-OD2 3.12Å; A296-D299 WeakPolarHBondContact O-CB 3.26Å; A296-D299 PolarHBondContact O-N 2.97Å
297A53.6Low67.2Low81 Ų8156.9 Ų56.967%0.66933%0.33SS*.THydrogen-bonded Turntrans-59.1-30.5-174.800000114.8D299A297-D299 VanDerWaalsContact C-N 3.29Å; A297-D299 PolarHBondContact O-N 3.3Å
298G56.4Low64.8Low45 Ų4559.4 Ų59.446%0.46435%0.345SS..THydrogen-bonded Turntrans-77.7-3.4-177.600000116A296 A300A296-G298 VanDerWaalsContact C-N 3.27Å; A296-G298 PolarHBondContact O-N 2.94Å; G298-A300 VanDerWaalsContact C-N 3.31Å; G298-A300 PolarHBondContact O-N 2.86Å
299D54Low62.2Low14 Ų1467.7 Ų67.78%0.07538%0.381CS..Hα-helixtrans-67.8-29.4-177.6-77-8.6000112.7Y254 R294 G295 A296 A297Y254-D299 VanDerWaalsContact OH-C 3.26Å; Y254-D299 WeakPolarHBondContact OH-CA 3.3Å; Y254-D299 VanDerWaalsContact OH-CB 3.25Å; Y254-D299 WeakPolarHBondContact OH-CB 3.41Å; Y254-D299 PolarHBondContact OH-O 2.95Å; R294-D299 HydrophobicContact CG-CB 4.48Å; G295-D299 WeakPolarHBondContact CA-OD2 3.49Å; G295-D299 PolarHBondContact N-OD2 3.24Å; A296-D299 PolarHBondContact N-OD2 3Å; A296-D299 VanDerWaalsContact N-OD2 3.12Å; A296-D299 WeakPolarHBondContact O-CB 3.26Å; A296-D299 PolarHBondContact O-N 2.97Å; A297-D299 VanDerWaalsContact C-N 3.29Å; A297-D299 PolarHBondContact O-N 3.3Å
300A55.2Low59.3Low24 Ų2470.6 Ų70.620%0.19839%0.393CS..Hα-helixtrans-66.7-42.8-175.500000113.4G298 Q302 A303 S304G298-A300 VanDerWaalsContact C-N 3.31Å; G298-A300 PolarHBondContact O-N 2.86Å; A300-Q302 VanDerWaalsContact C-N 3.26Å; A300-Q302 PolarHBondContact O-N 3.43Å; A300-A303 PolarHBondContact O-N 2.81Å; A300-S304 PolarHBondContact O-N 2.93Å; A300-S304 PolarHBondContact O-OG 2.93Å
301D55.6Low56.4Low110 Ų11075.3 Ų75.359%0.58842%0.422SS*.Hα-helixtrans-64.6-31.5-174.5-61.3-27.5000112S304 N305D301-S304 WeakPolarHBondContact CA-OG 3.16Å; D301-S304 PolarHBondContact O-OG 2.64Å; D301-N305 PolarHBondContact O-N 3.06Å; D301-N305 PolarHBondContact O-ND2 3.19Å; D301-N305 PolarHBondContact O-OD1 3.29Å
302Q57.8Low53.5Low60 Ų6078.9 Ų78.928%0.2844%0.441SS..Hα-helixtrans-75.3-36.5177.1-69.3-173.92.100112.9P173 N174 Y254 A300P173-Q302 PolarHBondContact O-OE1 3.35Å; N174-Q302 PolarHBondContact OD1-NE2 3.26Å; Y254-Q302 HydrophobicContact CE1-CB 4.06Å; A300-Q302 VanDerWaalsContact C-N 3.26Å; A300-Q302 PolarHBondContact O-N 3.43Å
303A55.1Low50.9Low3 Ų384.3 Ų84.33%0.02547%0.473CS..Hα-helixtrans-70.1-39177.700000111.5Y254 F256 T264 A300 N305 N306Y254-A303 HydrophobicContact CD1-CB 4.3Å; Y254-A303 HydrophobicContact CE1-CB 3.75Å; F256-A303 HydrophobicContact CB-CB 4.01Å; T264-A303 HydrophobicContact CG2-CB 3.51Å; A300-A303 PolarHBondContact O-N 2.81Å; A303-N305 VanDerWaalsContact C-N 3.34Å; A303-N305 PolarHBondContact O-N 3.12Å; A303-N306 PolarHBondContact O-N 3.25Å
304S56.2Low48.2Very low53 Ų5387.1 Ų87.137%0.37149%0.49SS..Hα-helixtrans-65-36.2176.252.60000112.7A300 D301 N306 K307A300-S304 PolarHBondContact O-N 2.93Å; A300-S304 PolarHBondContact O-OG 2.93Å; D301-S304 WeakPolarHBondContact CA-OG 3.16Å; D301-S304 PolarHBondContact O-OG 2.64Å; S304-N306 VanDerWaalsContact C-N 3.28Å; S304-N306 PolarHBondContact O-N 3.37Å; S304-K307 VanDerWaalsContact O-CB 3.29Å; S304-K307 WeakPolarHBondContact O-CB 3.31Å; S304-K307 PolarHBondContact O-N 3.05Å
305N55.5Low45.9Very low92 Ų9290.6 Ų90.649%0.49251%0.512SS..Hα-helixtrans-63.3-32.3178.5-72.3-13.3000112.6D301 A303 K307 M308D301-N305 PolarHBondContact O-N 3.06Å; D301-N305 PolarHBondContact O-ND2 3.19Å; D301-N305 PolarHBondContact O-OD1 3.29Å; A303-N305 VanDerWaalsContact C-N 3.34Å; A303-N305 PolarHBondContact O-N 3.12Å; N305-K307 VanDerWaalsContact C-N 3.27Å; N305-K307 PolarHBondContact O-N 3.01Å; N305-M308 PolarHBondContact O-N 2.79Å
306N52.4Low44Very low64 Ų6497.8 Ų97.834%0.34254%0.54SS..Hα-helixtrans-65.4-29.3173.9-78.3-11.5000112.6Y254 A303 S304 M308 F309Y254-N306 PolarHBondContact O-ND2 2.04Å; A303-N306 PolarHBondContact O-N 3.25Å; S304-N306 VanDerWaalsContact C-N 3.28Å; S304-N306 PolarHBondContact O-N 3.37Å; N306-M308 VanDerWaalsContact C-N 3.28Å; N306-M308 PolarHBondContact O-N 3.42Å; N306-F309 PolarHBondContact O-N 3.09Å
307K49.2Very low42.6Very low152 Ų15299 Ų9966%0.66154%0.541SS*.Hα-helixtrans-66.2-33.2176-139.9176.3-171.91780111.4S304 N305 N310 V311S304-K307 VanDerWaalsContact O-CB 3.29Å; S304-K307 WeakPolarHBondContact O-CB 3.31Å; S304-K307 PolarHBondContact O-N 3.05Å; N305-K307 VanDerWaalsContact C-N 3.27Å; N305-K307 PolarHBondContact O-N 3.01Å; K307-N310 PolarHBondContact O-N 3.4Å; K307-V311 WeakPolarHBondContact O-CG2 3.24Å
308M37.6Very low41.2Very low156 Ų15699.7 Ų99.777%0.76854%0.54SS*.Hα-helixtrans-72.7-28.4-178.1-139.2171.1179.900112.7N305 N306N305-M308 PolarHBondContact O-N 2.79Å; N306-M308 VanDerWaalsContact C-N 3.28Å; N306-M308 PolarHBondContact O-N 3.42Å
309F36Very low39.7Very low182 Ų182104.4 Ų104.480%0.79856%0.555SS**Hα-helixtrans-81.6-12.9177.1-81.4-80.2000114.5N306N306-F309 PolarHBondContact O-N 3.09Å
310N30.3Very low38.5Very low124 Ų124112.6 Ų112.666%0.66359%0.592SS**THydrogen-bonded Turntrans-99.76.6179.8-137.43.5000114.4K307K307-N310 PolarHBondContact O-N 3.4Å
311V30.2Very low37.1Very low107 Ų107117 Ų11765%0.64862%0.621SS**SBendtrans-91.7-7.6176.8-1730000112.7K307K307-V311 WeakPolarHBondContact O-CG2 3.24Å
312N28.7Very low35.9Very low149 Ų149115.5 Ų115.580%0.79762%0.624SS**  trans-98.810.1176.9-80.77.4000114.9L314N312-L314 PolarHBondContact O-N 3.27Å
313V30.6Very low34.2Very low118 Ų118119.9 Ų119.972%0.71565%0.65SS**SBendtrans-79.777.6159.6-174.40000107.8M315V313-M315 PolarHBondContact O-N 2.8Å
314L27Very low32.8Very low126 Ų126130.2 Ų130.266%0.6669%0.69SS**  trans24.789.7152.6-148.267.8000114.8N312 H316N312-L314 PolarHBondContact O-N 3.27Å; L314-H316 WeakPolarHBondContact CD2-CD2 3.46Å; L314-H316 WeakPolarHBondContact CD2-NE2 3.29Å; L314-H316 PolarHBondContact O-N 3.29Å
315M23.9Very low31.3Very low155 Ų155132 Ų13276%0.76470%0.702SS**  trans-50.884.1145.8-73-80.3-166.500109.3V313 T317V313-M315 PolarHBondContact O-N 2.8Å; M315-T317 PolarHBondContact O-N 3.06Å; M315-T317 VanDerWaalsContact O-N 3.15Å; M315-T317 HydrophobicContact SD-CG2 3.96Å
316H25.3Very low29.7Very low169 Ų169132.6 Ų132.678%0.78271%0.713SS**  trans-79.667.7144.4-88.6-62.6000107.4L314L314-H316 WeakPolarHBondContact CD2-CD2 3.46Å; L314-H316 WeakPolarHBondContact CD2-NE2 3.29Å; L314-H316 PolarHBondContact O-N 3.29Å
317T24.7Very low28.5Very low96 Ų96136.3 Ų136.359%0.58974%0.738SS**  trans-63.1135.8159.316.10000109.1M315M315-T317 PolarHBondContact O-N 3.06Å; M315-T317 VanDerWaalsContact O-N 3.15Å; M315-T317 HydrophobicContact SD-CG2 3.96Å
318S24.1Very low27.2Very low95 Ų95133.6 Ų133.666%0.66474%0.738SS**  trans83.1112148.473.50000118.7
319N25Very low26.4Very low144 Ų144130.6 Ų130.677%0.7773%0.732SS**  106.792.8128.3-65.4-10.6000116.7
320H29Very low25.7Very low186 Ų186131.5 Ų131.586%0.86174%0.736SS**  -151.9110.1111.9-110.8-71.4000110A322H320-A322 PolarHBondContact O-N 3.19Å
321S25.2Very low25.6Very low116 Ų116131 Ų13181%0.81174%0.743SS**  trans-63.3121.9154.659.50000107.5
322A29.5Very low25.2Very low78 Ų78135.2 Ų135.265%0.64575%0.752SS**  trans-146.188.1158.300000106.9H320 Y324H320-A322 PolarHBondContact O-N 3.19Å; A322-Y324 PolarHBondContact O-N 3.42Å; A322-Y324 VanDerWaalsContact O-N 3.14Å
323D23.4Very low24.9Very low152 Ų152134.6 Ų134.681%0.81375%0.749SS**  trans-41.8112.9148-94.1-39.2000109
324Y25.7Very low24.5Very low221 Ų221136.1 Ų136.187%0.86775%0.751SS**  trans-138.286.1148-89.3-76.8000108.3A322A322-Y324 PolarHBondContact O-N 3.42Å; A322-Y324 VanDerWaalsContact O-N 3.14Å
325S23.4Very low24.2Very low90 Ų90134.6 Ų134.663%0.62975%0.751SS**  trans-51.4135.3149.446.40000111.4
326S22.9Very low24Very low104 Ų104138.1 Ų138.173%0.72776%0.758SS**  trans56.899.6142.163.70000119.9
327V26.5Very low24.2Very low142 Ų142136.9 Ų136.986%0.86176%0.761SS**  trans-155.299.2133.9-174.90000106.5
328S22.3Very low23.9Very low96 Ų96140.1 Ų140.167%0.67177%0.77SS**  59.8114.392.9-168.40000116.1
329S21.1Very low23.8Very low92 Ų92140.3 Ų140.364%0.64377%0.771SS**  trans68.2119.6136.362.40000121.8
330K21.7Very low23.8Very low202 Ų202138.8 Ų138.888%0.87877%0.772SS**  trans69.3107.7134.5-69176.3176.7175.50118.6
331S26.8Very low23.4Very low114 Ų114136.8 Ų136.880%0.79777%0.768SS**  174.6113.7114.355.80000108.7
332K23.4Very low23.3Very low194 Ų194139.5 Ų139.584%0.84377%0.767SS**  73.493.389.3-156176.8-171.1-174.10112.7
333N21.9Very low23.3Very low136 Ų136141.5 Ų141.573%0.72778%0.776SS**  66.3139.7123.5-114.316.3000120.5
334I22.1Very low23.3Very low151 Ų151144.4 Ų144.477%0.77478%0.782SS**  trans85.1132.6155-52.7149.7000113
335S21.3Very low23.3Very low94 Ų94139 Ų13966%0.65778%0.776SS**  cis-157.1157.819.839.10000110.5
336Y19.4Very low23.3Very low229 Ų229139.1 Ų139.190%0.89878%0.777SS**  trans-30.9130.8150.5-82.7-106.5000113.7
337V28.2Very low23.2Very low142 Ų142140.1 Ų140.186%0.86178%0.784SS**  trans-118.2125.5149.71760000107.9
338E19.9Very low23.2Very low164 Ų164138.8 Ų138.877%0.76678%0.776SS**  trans-85.7147.6-174.8-170.4172.1-173.100110.1
339S21.6Very low23.2Very low100 Ų100143.3 Ų143.370%0.69979%0.787SS**  trans52.1124.6152.365.70000120.3
340S23.7Very low23.4Very low112 Ų112146.2 Ų146.278%0.78379%0.794SS**  178.8121.1109.640.50000112.7
341N22Very low23.5Very low144 Ų144144.3 Ų144.377%0.7779%0.792SS**  trans31.4140.6134.4-69.4-16.2000123.1
342H23.2Very low23.4Very low173 Ų173146.2 Ų146.280%0.80179%0.793SS**  trans80.5107.3147.4-72.5-47.1000118.6
343S29.6Very low23.6Very low119 Ų119140.6 Ų140.683%0.83278%0.779SS**  -167.8128.7107.221.80000111.4
344K22.2Very low23.8Very low214 Ų214139.5 Ų139.593%0.9378%0.781SS**  trans-64.2133158.9-79.1171.9170.2176.30107.9
345S26Very low24Very low107 Ų107136 Ų13675%0.74876%0.761SS**  trans-146.4115.7144.875.40000111.1
346S22.9Very low24.4Very low92 Ų92138.3 Ų138.364%0.64376%0.761SS**  trans38.1105.4142.953.20000118.7T348S346-T348 PolarHBondContact O-N 3.36Å
347S22.1Very low24.9Very low125 Ų125131.6 Ų131.687%0.87474%0.744SS**  trans-23.7112140490000113
348T25.4Very low25Very low114 Ų114127.5 Ų127.570%0.69972%0.719SS**  trans-110.4112.3155.6-40.60000104.9S346 I350S346-T348 PolarHBondContact O-N 3.36Å; T348-I350 PolarHBondContact O-N 3.48Å
349E22.2Very low25.4Very low191 Ų191126.2 Ų126.289%0.89372%0.718SS**  trans-57.1103.7165.3-76.3173.7147.800107.1
350I24.9Very low26Very low154 Ų154125 Ų12579%0.7971%0.709SS**  trans-90.9116.6169.6-62.8176.5000105.6T348T348-I350 PolarHBondContact O-N 3.48Å
351L24.6Very low26.2Very low162 Ų162122.5 Ų122.585%0.84870%0.7SS**  trans-42.3132.5177-94.481000112.5S353L351-S353 PolarHBondContact O-N 2.69Å
352D24.5Very low26.4Very low153 Ų153123.8 Ų123.882%0.81871%0.708SS**  trans-40.1121.7169.1-70.7-39.7000112.9S354D352-S354 PolarHBondContact O-N 3.04Å
353S27Very low26.7Very low77 Ų77124.1 Ų124.154%0.53871%0.707SS.*  trans-75.4106.2169.964.40000109.7L351 F355L351-S353 PolarHBondContact O-N 2.69Å; S353-F355 PolarHBondContact O-N 3.22Å
354S26.4Very low26.6Very low112 Ų112126.8 Ų126.878%0.78371%0.706SS**  trans-69120-177.459.10000112.7D352D352-S354 PolarHBondContact O-N 3.04Å
355F27.5Very low27Very low77 Ų77122.5 Ų122.534%0.33870%0.7SS.*  trans-66.8143.7156.6-57.7-116.8000110Y45 F75 S353Y45-F355 AromaticContact CD1-CD1 3.57Å; Y45-F355 HydrophobicContact CD1-CD1 3.57Å; Y45-F355 AromaticContact CD1-CD2 3.97Å; Y45-F355 HydrophobicContact CD1-CD2 3.97Å; Y45-F355 AromaticContact CD1-CE1 2.82Å; Y45-F355 HydrophobicContact CD1-CE1 2.82Å; Y45-F355 AromaticContact CD1-CE2 3.3Å; Y45-F355 HydrophobicContact CD1-CE2 3.3Å; Y45-F355 HydrophobicContact CD1-CG 4.11Å; Y45-F355 AromaticContact CD1-CZ 2.71Å; Y45-F355 HydrophobicContact CD1-CZ 2.71Å; Y45-F355 HydrophobicContact CD2-CD1 4.04Å; Y45-F355 AromaticContact CD2-CE1 3.69Å; Y45-F355 HydrophobicContact CD2-CE1 3.69Å; Y45-F355 HydrophobicContact CD2-CZ 4.4Å; Y45-F355 HydrophobicContact CE1-CB 4.47Å; Y45-F355 AromaticContact CE1-CD1 3.05Å; Y45-F355 HydrophobicContact CE1-CD1 3.05Å; Y45-F355 AromaticContact CE1-CD2 3.15Å; Y45-F355 HydrophobicContact CE1-CD2 3.15Å; Y45-F355 AromaticContact CE1-CE1 2.86Å; Y45-F355 HydrophobicContact CE1-CE1 2.86Å; Y45-F355 AromaticContact CE1-CE2 2.95Å; Y45-F355 HydrophobicContact CE1-CE2 2.95Å; Y45-F355 AromaticContact CE1-CG 3.23Å; Y45-F355 HydrophobicContact CE1-CG 3.23Å; Y45-F355 AromaticContact CE1-CZ 2.86Å; Y45-F355 HydrophobicContact CE1-CZ 2.86Å; Y45-F355 AromaticContact CE2-CD1 3.55Å; Y45-F355 HydrophobicContact CE2-CD1 3.55Å; Y45-F355 AromaticContact CE2-CE1 3.68Å; Y45-F355 HydrophobicContact CE2-CE1 3.68Å; Y45-F355 HydrophobicContact CE2-CG 4.24Å; Y45-F355 HydrophobicContact CE2-CZ 4.45Å; Y45-F355 HydrophobicContact CG-CD1 4.01Å; Y45-F355 AromaticContact CG-CE1 3.24Å; Y45-F355 HydrophobicContact CG-CE1 3.24Å; Y45-F355 HydrophobicContact CG-CE2 4.47Å; Y45-F355 AromaticContact CG-CZ 3.57Å; Y45-F355 HydrophobicContact CG-CZ 3.57Å; Y45-F355 AromaticContact CZ-CD1 2.92Å; Y45-F355 AromaticContact CZ-CD2 3.65Å; Y45-F355 AromaticContact CZ-CE1 3.22Å; Y45-F355 AromaticContact CZ-CE2 3.88Å; Y45-F355 AromaticContact CZ-CG 3.21Å; Y45-F355 AromaticContact CZ-CZ 3.73Å; Y45-F355 WeakPolarHBondContact OH-CA 3.46Å; Y45-F355 WeakPolarHBondContact OH-CB 3.45Å; Y45-F355 WeakPolarHBondContact OH-CD1 3.49Å; Y45-F355 WeakPolarHBondContact OH-CG 3.37Å; Y45-F355 PolarHBondContact OH-N 3.2Å; F75-F355 HydrophobicContact CD1-CD1 4.41Å; S353-F355 PolarHBondContact O-N 3.22Å
356Q28.8Very low27.2Very low143 Ų143126.2 Ų126.267%0.66870%0.703SS**EExtended strand (participates in β ladder)trans-10098160.6-122.6177.912.300109.1V358Q356-V358 PolarHBondContact O-N 3.44Å
357V29.8Very low27.4Very low89 Ų89126.9 Ų126.954%0.53971%0.707SS.*EExtended strand (participates in β ladder)trans-73.8105161.8179.50000106.5N359V357-N359 PolarHBondContact O-N 3.39Å
358V30.7Very low27.6Very low56 Ų56129.7 Ų129.734%0.33971%0.706SS.*  trans-82.599.7175-176.10000107.1V76 Q356 S360V76-V358 HydrophobicContact CG1-CG2 4.15Å; Q356-V358 PolarHBondContact O-N 3.44Å; V358-S360 PolarHBondContact O-N 3.44Å
359N28.7Very low27.8Very low137 Ų137131.7 Ų131.773%0.73371%0.712SS**  trans-63.7106.4166.6-80.1-22.5000107.8V357 G361V357-N359 PolarHBondContact O-N 3.39Å; N359-G361 PolarHBondContact O-N 3.43Å
360S33.6Very low28Very low75 Ų75130.9 Ų130.952%0.52471%0.708SS.*  trans-65.295.1162.966.40000106.4V358 N362V358-S360 PolarHBondContact O-N 3.44Å; S360-N362 PolarHBondContact O-N 2.94Å
361G29.2Very low28.2Very low58 Ų58130 Ų13060%0.59871%0.705SS**  trans-51.8133.5-176.800000110.5N359 K363N359-G361 PolarHBondContact O-N 3.43Å; G361-K363 VanDerWaalsContact C-N 3.32Å; G361-K363 PolarHBondContact O-N 3.34Å
362N25.8Very low28.5Very low172 Ų172127.5 Ų127.592%0.9270%0.701SS**  trans-38.894.1168.6-76.5-17.3000110.5S360S360-N362 PolarHBondContact O-N 2.94Å
363K29.6Very low28.6Very low180 Ų180128.1 Ų128.178%0.78370%0.699SS**  trans-106111.4155.4-74.6-177.9179.3171.60103.5G361G361-K363 VanDerWaalsContact C-N 3.32Å; G361-K363 PolarHBondContact O-N 3.34Å
364E27.1Very low28.6Very low174 Ų174130.8 Ų130.881%0.81370%0.703SS**  trans-39.5140.8164.6-74.9-179.3142.700109.2K366E364-K366 PolarHBondContact O-N 3.31Å
365P30Very low28.9Very low125 Ų125133.3 Ų133.381%0.81271%0.707SS**  trans-55.4106.3-177.422.4-31.6000107.6S367P365-S367 PolarHBondContact O-N 3.22Å
366K30.2Very low28.9Very low185 Ų185137 Ų13780%0.80473%0.725SS**  trans-55.8116.9169.7-81-173.9174.2-173.50105.3E364E364-K366 PolarHBondContact O-N 3.31Å
367S28.4Very low28.9Very low105 Ų105140.7 Ų140.773%0.73473%0.732SS**  trans-11.1133.7168.755.30000114.4P365 L369P365-S367 PolarHBondContact O-N 3.22Å; S367-L369 PolarHBondContact O-N 3.41Å
368H26.1Very low28.7Very low184 Ų184139.5 Ų139.585%0.85274%0.738SS**  trans-15.4113.3166.5-86.9-85.5000112Q370H368-Q370 PolarHBondContact O-N 3.2Å
369L28.6Very low28.4Very low156 Ų156143 Ų14382%0.81775%0.754SS**  trans-52.792.5164.4-100.9120000107.5S367 N371S367-L369 PolarHBondContact O-N 3.41Å; L369-N371 PolarHBondContact O-N 2.92Å; L369-N371 VanDerWaalsContact O-N 3.1Å
370Q27.3Very low28.7Very low175 Ų175145.7 Ų145.782%0.81878%0.779SS**  trans-62.3111.4166.1-99.6176.5-21.100105.6H368H368-Q370 PolarHBondContact O-N 3.2Å
371N27.9Very low28.5Very low134 Ų134149.2 Ų149.272%0.71779%0.791SS**SBendtrans48.2107.1169.5-64.9-23.1000114.8L369 H373L369-N371 PolarHBondContact O-N 2.92Å; L369-N371 VanDerWaalsContact O-N 3.1Å; N371-H373 PolarHBondContact O-N 3.14Å
372S30.8Very low28.5Very low111 Ų111154 Ų15478%0.77680%0.801SS**  trans-30.994.315753.30000112.3E374S372-E374 PolarHBondContact O-N 3.35Å
373H27.9Very low28.6Very low166 Ų166153 Ų15377%0.76980%0.795SS**  trans-70.288.7159.2-80.9-66.5000106N371 L375N371-H373 PolarHBondContact O-N 3.14Å; H373-L375 PolarHBondContact O-N 2.78Å
374E26.8Very low28.5Very low133 Ų133151.4 Ų151.462%0.62180%0.796SS**  trans21.695134-146.4167-172.600112.3S372 H376S372-E374 PolarHBondContact O-N 3.35Å; E374-H376 VanDerWaalsContact C-N 3.28Å; E374-H376 PolarHBondContact O-CD2 3.15Å; E374-H376 VanDerWaalsContact O-CD2 3.3Å; E374-H376 PolarHBondContact O-N 3.38Å
375L32.8Very low28.6Very low165 Ų165150 Ų15086%0.86480%0.795SS**  trans-55100.2167-88.3156.9000106.8H373H373-L375 PolarHBondContact O-N 2.78Å
376H27.6Very low28.5Very low155 Ų155151.7 Ų151.772%0.71879%0.793SS**  trans-59.6140.4-166.7-92.1-83.2000111.6E374E374-H376 VanDerWaalsContact C-N 3.28Å; E374-H376 PolarHBondContact O-CD2 3.15Å; E374-H376 VanDerWaalsContact O-CD2 3.3Å; E374-H376 PolarHBondContact O-N 3.38Å
377R28.2Very low28.4Very low219 Ų219149.3 Ų149.383%0.82679%0.793SS**  trans-38.4151.1174.3-68.1172.3174.4172.7-2.3114.2
378G25.2Very low28.4Very low65 Ų65152.7 Ų152.767%0.6780%0.797SS**  trans-50.3155.5161.400000113.3
379I24.1Very low28.6Very low129 Ų129150.1 Ų150.166%0.66279%0.793SS**  trans-36.5140.3169.7-57.2165.7000111.1
380P36.3Very low28.6Very low193 Ų193149.5 Ų149.5100%1.25379%0.79SS**  trans-56.10174.923.4-33.7000113.7

Retrieved 380 of 380 residues in 884.5 ms (Link to these results)

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