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Latent transforming growth factor beta binding protein-1S

AlphaFold DB , UniProt , Accession Q99PJ3, Species MOUSE (Mus musculus, Mouse), Gene Ltbp1, Length 165 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.5Very low52.7Low238 Ų238131.6 Ų131.6100%1.17266%0.664SS**  096.309.8170.371.900106.2
2D51.5Low52.8Low112 Ų112132.5 Ų132.560%0.59967%0.67SS**  trans-66.4127-163.6-98.3-95.7000113.4K4 L5D2-K4 HydrophobicContact CB-CB 4.5Å; D2-K4 PolarHBondContact O-N 3.09Å; D2-K4 VanDerWaalsContact O-N 3.09Å; D2-L5 HydrophobicContact CB-CB 4.5Å; D2-L5 WeakPolarHBondContact O-CB 3.42Å; D2-L5 PolarHBondContact O-N 2.75Å
3T52.1Low52.6Low127 Ų127130.5 Ų130.578%0.77967%0.674SS**Hα-helixtrans-56.1-24171.8-11.30000112.3C7T3-C7 PolarHBondContact O-N 3.22Å
4K53.8Low52.7Low163 Ų163129 Ų12971%0.70967%0.667SS**Hα-helixtrans-65.3-36.1171.8-81-179.7171.1174.70113.1D2 C7 L8D2-K4 HydrophobicContact CB-CB 4.5Å; D2-K4 PolarHBondContact O-N 3.09Å; D2-K4 VanDerWaalsContact O-N 3.09Å; K4-C7 PolarHBondContact O-N 2.99Å; K4-L8 PolarHBondContact O-N 2.85Å
5L55Low52.7Low108 Ų108127.4 Ų127.457%0.56567%0.668SS**Hα-helixtrans-73.8-32.8-178.7-167.864.3000111.8D2 L9D2-L5 HydrophobicContact CB-CB 4.5Å; D2-L5 WeakPolarHBondContact O-CB 3.42Å; D2-L5 PolarHBondContact O-N 2.75Å; L5-L9 PolarHBondContact O-N 3.38Å
6M55.7Low52.6Low121 Ų121129.4 Ų129.460%0.59668%0.679SS**Hα-helixtrans-69.3-35.7174-73.7-63.9125.500112.8L9 F10M6-L9 HydrophobicContact CE-CD1 3.99Å; M6-L9 PolarHBondContact O-N 3.24Å; M6-F10 PolarHBondContact O-N 2.98Å
7C53.1Low52.4Low69 Ų69131 Ų13147%0.46669%0.687SS.*Hα-helixtrans-68.9-41.3177.8-150.90000111.4T3 K4 L9 F10 F11T3-C7 PolarHBondContact O-N 3.22Å; K4-C7 PolarHBondContact O-N 2.99Å; C7-L9 PolarHBondContact O-N 3.47Å; C7-F10 WeakPolarHBondContact O-CB 3.19Å; C7-F10 PolarHBondContact O-N 3.29Å; C7-F10 VanDerWaalsContact O-N 3.14Å; C7-F11 WeakPolarHBondContact O-CD2 3.31Å; C7-F11 PolarHBondContact O-N 2.77Å
8L53.7Low52.1Low112 Ų112132.3 Ų132.359%0.58669%0.694SS**Hα-helixtrans-61.9-39.4175.4-90.9150.4000112.9K4 F10 F11 L12K4-L8 PolarHBondContact O-N 2.85Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.83Å; L8-F11 PolarHBondContact O-N 3.04Å; L8-L12 WeakPolarHBondContact O-CD1 3.35Å; L8-L12 PolarHBondContact O-N 3.11Å
9L54.1Low51.9Low95 Ų95132.4 Ų132.450%0.49770%0.7SS.*Hα-helixtrans-66.8-31.5174-79.6160.5000112.5L5 M6 C7 L12 C13L5-L9 PolarHBondContact O-N 3.38Å; M6-L9 HydrophobicContact CE-CD1 3.99Å; M6-L9 PolarHBondContact O-N 3.24Å; C7-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.49Å; L9-C13 PolarHBondContact O-N 3.43Å
10F51.7Low51.7Low153 Ų153128.8 Ų128.867%0.67169%0.686SS**Hα-helixtrans-68.7-38.7176.4-127.2-91.4000112.5M6 C7 L8 L12 C13 L14M6-F10 PolarHBondContact O-N 2.98Å; C7-F10 WeakPolarHBondContact O-CB 3.19Å; C7-F10 PolarHBondContact O-N 3.29Å; C7-F10 VanDerWaalsContact O-N 3.14Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.83Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.87Å; F10-C13 PolarHBondContact O-N 2.81Å; F10-L14 VanDerWaalsContact O-CD1 3.3Å; F10-L14 WeakPolarHBondContact O-CD1 3.49Å; F10-L14 PolarHBondContact O-N 2.84Å
11F52.4Low51.7Low150 Ų150129 Ų12966%0.65869%0.687SS**Hα-helixtrans-70.4-27.3175.9-75.4-73000113.6C7 L8 C13C7-F11 WeakPolarHBondContact O-CD2 3.31Å; C7-F11 PolarHBondContact O-N 2.77Å; L8-F11 PolarHBondContact O-N 3.04Å; F11-C13 VanDerWaalsContact C-N 3.3Å
12L54Low52.2Low142 Ų142124.6 Ų124.674%0.74366%0.663SS**Hα-helixtrans-77-15.5174.6-79.7155.5000113.3L8 L9 F10L8-L12 WeakPolarHBondContact O-CD1 3.35Å; L8-L12 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.49Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.87Å
13C50.4Low52.5Low107 Ų107124.4 Ų124.472%0.72367%0.666SS**SBendtrans-102.1-4.4-177.8-132.90000113.7L9 F10 F11 P15L9-C13 PolarHBondContact O-N 3.43Å; F10-C13 PolarHBondContact O-N 2.81Å; F11-C13 VanDerWaalsContact C-N 3.3Å; C13-P15 WeakPolarHBondContact O-CD 3.45Å
14L53.6Low53Low109 Ų109121.1 Ų121.157%0.57166%0.658SS**SBendtrans-68.3119.9165.3-92.582000107F10 L16F10-L14 VanDerWaalsContact O-CD1 3.3Å; F10-L14 WeakPolarHBondContact O-CD1 3.49Å; F10-L14 PolarHBondContact O-N 2.84Å; L14-L16 PolarHBondContact O-N 3.39Å
15P53.1Low53.6Low105 Ų105121.9 Ų121.968%0.68266%0.656SS**  trans-56.9124.6173.224.8-30000105.9C13 L17C13-P15 WeakPolarHBondContact O-CD 3.45Å; P15-L17 VanDerWaalsContact C-N 3.26Å; P15-L17 PolarHBondContact O-N 3.36Å
16L51.5Low54.4Low160 Ų160120.4 Ų120.484%0.83865%0.648SS**  trans-46.6106.9160.8-107.675.8000104.4L14 L18L14-L16 PolarHBondContact O-N 3.39Å; L16-L18 PolarHBondContact O-N 2.89Å
17L48.6Very low55.1Low156 Ų156121.5 Ų121.582%0.81765%0.649SS**  trans-62.292.5166.7-74.3165.4000103P15 V19P15-L17 VanDerWaalsContact C-N 3.26Å; P15-L17 PolarHBondContact O-N 3.36Å; L17-V19 PolarHBondContact O-N 3.49Å
18L47.3Very low56.2Low155 Ų155122.6 Ų122.681%0.81265%0.654SS**  trans-55.891.9159.7-81.6161.2000103.2L16 S20L16-L18 PolarHBondContact O-N 2.89Å; L18-S20 PolarHBondContact O-N 3.39Å
19V47.2Very low57.4Low133 Ų133119.8 Ų119.881%0.80664%0.641SS**  trans-64.582.4161.6177.40000103.1L17 N21L17-V19 PolarHBondContact O-N 3.49Å; V19-N21 PolarHBondContact O-N 2.75Å
20S48.7Very low58.6Low60 Ų60121.6 Ų121.642%0.4265%0.645SS.*  trans-64.3110.3180175.30000105L18 H22L18-S20 PolarHBondContact O-N 3.39Å; S20-H22 WeakPolarHBondContact CB-NE2 3.38Å; S20-H22 PolarHBondContact O-CD2 2.84Å; S20-H22 PolarHBondContact O-N 2.85Å; S20-H22 PolarHBondContact OG-CD2 2.9Å; S20-H22 VanDerWaalsContact OG-CD2 3.24Å; S20-H22 PolarHBondContact OG-CE1 2.97Å; S20-H22 PolarHBondContact OG-ND1 2.91Å; S20-H22 VanDerWaalsContact OG-ND1 3.12Å; S20-H22 PolarHBondContact OG-NE2 3.01Å
21N52.2Low60Low133 Ų133116.7 Ų116.771%0.71163%0.628SS**  trans-76.768.9-178-162.1-29.4000107.7V19 T23V19-N21 PolarHBondContact O-N 2.75Å; N21-T23 PolarHBondContact O-N 3.22Å
22H56.1Low61.3Low147 Ų147112.4 Ų112.468%0.68162%0.615SS**  trans-76.770.5172-42.6-92000107.6S20 G24S20-H22 WeakPolarHBondContact CB-NE2 3.38Å; S20-H22 PolarHBondContact O-CD2 2.84Å; S20-H22 PolarHBondContact O-N 2.85Å; S20-H22 PolarHBondContact OG-CD2 2.9Å; S20-H22 VanDerWaalsContact OG-CD2 3.24Å; S20-H22 PolarHBondContact OG-CE1 2.97Å; S20-H22 PolarHBondContact OG-ND1 2.91Å; S20-H22 VanDerWaalsContact OG-ND1 3.12Å; S20-H22 PolarHBondContact OG-NE2 3.01Å; H22-G24 PolarHBondContact O-N 2.69Å
23T58Low62.7Low107 Ų107108.9 Ų108.966%0.65660%0.603SS**  trans-63.787.5155.146.30000106.2N21 R25N21-T23 PolarHBondContact O-N 3.22Å; T23-R25 PolarHBondContact O-N 2.92Å; T23-R25 VanDerWaalsContact O-N 3.12Å
24G62.3Low64.2Low59 Ų59109.1 Ų109.161%0.60860%0.596SS**  trans-60.1115.2-173.600000109.8H22H22-G24 PolarHBondContact O-N 2.69Å
25R66.9Low65.5Low178 Ų178107.8 Ų107.867%0.67259%0.594SS**  trans-81.6128.6172.9-60.8178.6175.8-110.4-0.8107.9T23 E59T23-R25 PolarHBondContact O-N 2.92Å; T23-R25 VanDerWaalsContact O-N 3.12Å; R25-E59 WeakPolarHBondContact CB-OE2 3.26Å; R25-E59 WeakPolarHBondContact CD-OE2 2.92Å; R25-E59 PolarHBondContact O-N 3.1Å
26I70.9Confident67.2Low77 Ų77109.7 Ų109.740%0.39559%0.592SS.*EExtended strand (participates in β ladder)trans-110.3125.8179.5-58.3171.4000107.6L56 L67I26-L56 HydrophobicContact CG2-CB 3.87Å; I26-L56 HydrophobicContact CG2-CD1 4.49Å; I26-L56 HydrophobicContact CG2-CD2 3.95Å; I26-L56 HydrophobicContact CG2-CG 4.32Å; I26-L67 HydrophobicContact CD1-CD2 4.45Å
27K71.4Confident69.1Low144 Ų144106.3 Ų106.363%0.62658%0.577SS**EExtended strand (participates in β ladder)trans-91.5122.5170.7-174.7175.9-179.7177.90109.2V29 I57K27-V29 HydrophobicContact CG-CG2 4.43Å; K27-I57 HydrophobicContact CB-CB 4.41Å; K27-I57 PolarHBondContact N-O 2.95Å; K27-I57 PolarHBondContact O-N 2.81Å
28V75.4Confident71Confident93 Ų93102 Ų10256%0.56456%0.558SS**EExtended strand (participates in β ladder)trans-94.6117.7175.5-170.10000108.7T54 L56V28-T54 HydrophobicContact CG1-CG2 3.64Å; V28-L56 HydrophobicContact CB-CD2 4.09Å; V28-L56 HydrophobicContact CG1-CD2 3.91Å; V28-L56 HydrophobicContact CG2-CD2 3.63Å
29V80Confident73Confident52 Ų5298 Ų9832%0.31554%0.542SS..EExtended strand (participates in β ladder)trans-103.4102.8174.6-177.40000108.6K27 T31 T54 T55 I57K27-V29 HydrophobicContact CG-CG2 4.43Å; V29-T31 HydrophobicContact CG1-CG2 4.46Å; V29-T54 CarbonylContact O-C 3.51Å; V29-T54 VanDerWaalsContact O-CA 3.27Å; V29-T54 WeakPolarHBondContact O-CA 3.4Å; V29-T54 WeakPolarHBondContact O-CG2 3.03Å; V29-T55 PolarHBondContact N-O 3.32Å; V29-T55 PolarHBondContact O-N 3.04Å; V29-I57 HydrophobicContact CG2-CD1 3.67Å; V29-I57 HydrophobicContact CG2-CG1 4.42Å
30F79.6Confident75.2Confident134 Ų13496.2 Ų96.259%0.58853%0.532SS*.  trans-91.6120.8-178.8-172.8-110.9000110.9P32 T54F30-P32 HydrophobicContact CD1-CB 4.26Å; F30-P32 HydrophobicContact CD1-CG 3.89Å; F30-P32 HydrophobicContact CE1-CB 3.46Å; F30-P32 VanDerWaalsContact CE1-CB 3.46Å; F30-P32 HydrophobicContact CE1-CG 3.43Å; F30-P32 VanDerWaalsContact CE1-CG 3.43Å; F30-P32 HydrophobicContact CZ-CB 3.65Å; F30-P32 HydrophobicContact CZ-CG 4.16Å; F30-T54 HydrophobicContact CB-CG2 4.5Å; F30-T54 HydrophobicContact CD2-CG2 4.11Å; F30-T54 VanDerWaalsContact CD2-OG1 3.22Å; F30-T54 WeakPolarHBondContact CD2-OG1 3.34Å
31T81.3Confident77.2Confident49 Ų49104.1 Ų104.130%0.30156%0.559SS.*  trans-126.480.5176.3490000110.1V29 G51 N52 T53V29-T31 HydrophobicContact CG1-CG2 4.46Å; T31-G51 CarbonylContact O-C 3.5Å; T31-G51 WeakPolarHBondContact O-CA 3.43Å; T31-N52 PolarHBondContact O-N 2.84Å; T31-N52 VanDerWaalsContact OG1-C 3.25Å; T31-N52 WeakPolarHBondContact OG1-CA 3.49Å; T31-N52 WeakPolarHBondContact OG1-CB 3.37Å; T31-N52 PolarHBondContact OG1-N 2.81Å; T31-N52 PolarHBondContact OG1-O 2.04Å; T31-T53 PolarHBondContact OG1-O 2.82Å
32P78.8Confident78.9Confident61 Ų61101.5 Ų101.540%0.39656%0.562SS.*  trans-69.6157.5-173.828.1-32.1000112.2F30 G51F30-P32 HydrophobicContact CD1-CB 4.26Å; F30-P32 HydrophobicContact CD1-CG 3.89Å; F30-P32 HydrophobicContact CE1-CB 3.46Å; F30-P32 VanDerWaalsContact CE1-CB 3.46Å; F30-P32 HydrophobicContact CE1-CG 3.43Å; F30-P32 VanDerWaalsContact CE1-CG 3.43Å; F30-P32 HydrophobicContact CZ-CB 3.65Å; F30-P32 HydrophobicContact CZ-CG 4.16Å; P32-G51 WeakPolarHBondContact O-CA 3.39Å
33S83.4Confident80.3Confident68 Ų6899.9 Ų99.948%0.47656%0.559SS.*  trans-72.7129.6165.9-62.80000110.1Q49 G51S33-Q49 WeakPolarHBondContact CA-O 3.02Å; S33-G51 PolarHBondContact OG-N 3Å; S33-G51 VanDerWaalsContact OG-N 3.17Å
34I82.4Confident81.7Confident112 Ų11298.3 Ų98.357%0.57455%0.551SS**EExtended strand (participates in β ladder)trans-106.3118.2-179-57.8175.8000108.2C48 Q49I34-C48 CarbonylContact O-C 3.43Å; I34-C48 WeakPolarHBondContact O-CA 3.09Å; I34-Q49 PolarHBondContact N-O 3.09Å; I34-Q49 PolarHBondContact O-N 3.45Å
35C80.5Confident83Confident80 Ų80102.2 Ų102.254%0.54155%0.554SS.*EExtended strand (participates in β ladder)trans-108.9131.9176.6-71.10000110.9C48C35-C48 HydrophobicContact CB-CB 4.11Å; C35-C48 WeakPolarHBondContact CB-SG 3.26Å; C35-C48 WeakPolarHBondContact SG-CB 3.27Å; C35-C48 CovalentContact SG-SG 2.04Å; C35-C48 PolarHBondContact SG-SG 3.35Å
36K88.6Confident83.8Confident145 Ų14599.2 Ų99.263%0.6355%0.551SS**EExtended strand (participates in β ladder)trans-112.9127.8173.1-176.6176.5178.5177.80109.3S47K36-S47 PolarHBondContact N-O 2.96Å; K36-S47 PolarHBondContact O-N 2.74Å
37V91.1Very high84.6Confident89 Ų8999 Ų9954%0.53956%0.556SS.*EExtended strand (participates in β ladder)trans-94.9121.6172-171.50000107.9N46V37-N46 WeakPolarHBondContact CG2-OD1 3.29Å
38T89.6Confident85.3Confident65 Ų6595.6 Ų95.640%0.39955%0.55SS..EExtended strand (participates in β ladder)trans-114.9117.2174.7-53.30000108.2C44 Q45T38-C44 WeakPolarHBondContact O-CA 3.42Å; T38-Q45 PolarHBondContact N-O 3.2Å; T38-Q45 PolarHBondContact O-N 3.2Å
39C89.3Confident86Confident71 Ų7198.2 Ų98.248%0.4856%0.556SS.*EExtended strand (participates in β ladder)trans-113.6125.7177.5-61.70000110.5N43 C44C39-N43 CarbonylContact C-O 3.58Å; C39-N43 VanDerWaalsContact CA-O 3.26Å; C39-N43 WeakPolarHBondContact CA-O 3.38Å; C39-C44 HydrophobicContact CB-CB 4.14Å; C39-C44 WeakPolarHBondContact CB-SG 3.38Å; C39-C44 WeakPolarHBondContact SG-CB 3.45Å; C39-C44 CovalentContact SG-SG 2.04Å; C39-C44 PolarHBondContact SG-SG 3.29Å
40T93.4Very high86Confident97 Ų97105 Ų10560%0.59558%0.581SS**EExtended strand (participates in β ladder)trans-130.1123.1175.245.40000109.7G42 N43T40-G42 PolarHBondContact O-N 2.04Å; T40-G42 VanDerWaalsContact O-N 3.11Å; T40-N43 PolarHBondContact N-O 2.94Å; T40-N43 PolarHBondContact O-N 2.83Å
41K89.8Confident85.8Confident226 Ų22699.4 Ų99.498%0.98356%0.562SS**THydrogen-bonded Turntrans47.841179.3-62.5-177.9177.3179.70114N43K41-N43 VanDerWaalsContact C-N 3.31Å; K41-N43 PolarHBondContact O-N 2.86Å
42G87.4Confident85.6Confident77 Ų77103.1 Ų103.179%0.79458%0.58SS**THydrogen-bonded Turntrans83.2-3.7179.300000115.5T40T40-G42 PolarHBondContact O-N 2.04Å; T40-G42 VanDerWaalsContact O-N 3.11Å
43N85.9Confident85.2Confident114 Ų114102.3 Ų102.361%0.6157%0.574SS**EExtended strand (participates in β ladder)trans-94.2118.8169.2-165.2-43000109.4C39 T40 K41C39-N43 CarbonylContact C-O 3.58Å; C39-N43 VanDerWaalsContact CA-O 3.26Å; C39-N43 WeakPolarHBondContact CA-O 3.38Å; T40-N43 PolarHBondContact N-O 2.94Å; T40-N43 PolarHBondContact O-N 2.83Å; K41-N43 VanDerWaalsContact C-N 3.31Å; K41-N43 PolarHBondContact O-N 2.86Å
44C86.7Confident84.7Confident73 Ų7399.5 Ų99.549%0.49355%0.554SS.*EExtended strand (participates in β ladder)trans-109.5127.3-179.9-67.80000110.3T38 C39T38-C44 WeakPolarHBondContact O-CA 3.42Å; C39-C44 HydrophobicContact CB-CB 4.14Å; C39-C44 WeakPolarHBondContact CB-SG 3.38Å; C39-C44 WeakPolarHBondContact SG-CB 3.45Å; C39-C44 CovalentContact SG-SG 2.04Å; C39-C44 PolarHBondContact SG-SG 3.29Å
45Q91.6Very high84.1Confident142 Ų14296.6 Ų96.666%0.66454%0.541SS*.EExtended strand (participates in β ladder)trans-118.2131.2174.7-166.5173.733.400110.4T38T38-Q45 PolarHBondContact N-O 3.2Å; T38-Q45 PolarHBondContact O-N 3.2Å
46N83.5Confident83.6Confident115 Ų11593.8 Ų93.862%0.61552%0.521SS*.EExtended strand (participates in β ladder)trans-89.4117.5171.4-62.1-34.2000108.5V37V37-N46 WeakPolarHBondContact CG2-OD1 3.29Å
47S87.8Confident82.6Confident71 Ų7189.6 Ų89.650%0.49751%0.505SS..EExtended strand (participates in β ladder)trans-109.1114.5170.8-178.40000108.6K36K36-S47 PolarHBondContact N-O 2.96Å; K36-S47 PolarHBondContact O-N 2.74Å
48C85.9Confident81.3Confident73 Ų7387 Ų8749%0.49349%0.49SS..EExtended strand (participates in β ladder)trans-115.3127.2-177.5-630000110.8I34 C35I34-C48 CarbonylContact O-C 3.43Å; I34-C48 WeakPolarHBondContact O-CA 3.09Å; C35-C48 HydrophobicContact CB-CB 4.11Å; C35-C48 WeakPolarHBondContact CB-SG 3.26Å; C35-C48 WeakPolarHBondContact SG-CB 3.27Å; C35-C48 CovalentContact SG-SG 2.04Å; C35-C48 PolarHBondContact SG-SG 3.35Å
49Q89.4Confident80.1Confident149 Ų14990.7 Ų90.770%0.69650%0.503SS*.EExtended strand (participates in β ladder)trans-90.6116.2165.9-69.3-176.1-10.100108.4S33 I34 G51S33-Q49 WeakPolarHBondContact CA-O 3.02Å; I34-Q49 PolarHBondContact N-O 3.09Å; I34-Q49 PolarHBondContact O-N 3.45Å; Q49-G51 PolarHBondContact O-N 3.1Å
50K80.5Confident78.5Confident193 Ų19393.2 Ų93.284%0.83951%0.512SS*.PPolyproline II helixtrans-70.3121.7-179.7-172174.1-178.7179.60109.4
51G75Confident76.5Confident18 Ų1891.7 Ų91.719%0.18652%0.515CS..PPolyproline II helixtrans-76.1159.5171.900000111.5T31 P32 S33 Q49T31-G51 CarbonylContact O-C 3.5Å; T31-G51 WeakPolarHBondContact O-CA 3.43Å; P32-G51 WeakPolarHBondContact O-CA 3.39Å; S33-G51 PolarHBondContact OG-N 3Å; S33-G51 VanDerWaalsContact OG-N 3.17Å; Q49-G51 PolarHBondContact O-N 3.1Å
52N77.1Confident74.9Confident127 Ų12788.2 Ų88.268%0.67950%0.502SS*.PPolyproline II helixtrans-74.2169.9174-74.3-32.5000110.7T31 T54T31-N52 PolarHBondContact O-N 2.84Å; T31-N52 VanDerWaalsContact OG1-C 3.25Å; T31-N52 WeakPolarHBondContact OG1-CA 3.49Å; T31-N52 WeakPolarHBondContact OG1-CB 3.37Å; T31-N52 PolarHBondContact OG1-N 2.81Å; T31-N52 PolarHBondContact OG1-O 2.04Å; N52-T54 PolarHBondContact O-N 3.11Å
53T70.4Confident73.1Confident44 Ų4487.7 Ų87.727%0.2749%0.49SS..PPolyproline II helixtrans-60.4141.1172.5-40.30000109.4T31 T55 R90T31-T53 PolarHBondContact OG1-O 2.82Å; T53-T55 PolarHBondContact O-N 2.85Å; T53-T55 PolarHBondContact O-OG1 2.93Å; T53-R90 VanDerWaalsContact CG2-NH1 3.3Å; T53-R90 PolarHBondContact OG1-NH1 2.99Å; T53-R90 PolarHBondContact OG1-NH2 3.44Å
54T73.9Confident71.5Confident9 Ų983 Ų836%0.05547%0.468CS..PPolyproline II helixtrans-60.7122.6165.1-57.10000108.5V28 V29 F30 N52 I76V28-T54 HydrophobicContact CG1-CG2 3.64Å; V29-T54 CarbonylContact O-C 3.51Å; V29-T54 VanDerWaalsContact O-CA 3.27Å; V29-T54 WeakPolarHBondContact O-CA 3.4Å; V29-T54 WeakPolarHBondContact O-CG2 3.03Å; F30-T54 HydrophobicContact CB-CG2 4.5Å; F30-T54 HydrophobicContact CD2-CG2 4.11Å; F30-T54 VanDerWaalsContact CD2-OG1 3.22Å; F30-T54 WeakPolarHBondContact CD2-OG1 3.34Å; N52-T54 PolarHBondContact O-N 3.11Å; T54-I76 VanDerWaalsContact CB-CG2 3.46Å; T54-I76 HydrophobicContact CG2-CD1 4.05Å; T54-I76 HydrophobicContact CG2-CG2 4.04Å; T54-I76 WeakPolarHBondContact O-CD1 3.38Å
55T69Low69.6Low50 Ų5086.6 Ų86.631%0.30748%0.482SS..EExtended strand (participates in β ladder)trans-105.6133-176.8-53.20000109.3V29 T53 I57V29-T55 PolarHBondContact N-O 3.32Å; V29-T55 PolarHBondContact O-N 3.04Å; T53-T55 PolarHBondContact O-N 2.85Å; T53-T55 PolarHBondContact O-OG1 2.93Å; T55-I57 HydrophobicContact CG2-CG1 4.01Å
56L69.8Low67.6Low22 Ų2284.4 Ų84.412%0.11548%0.478CS..EExtended strand (participates in β ladder)trans-90.7130.5165.9-60.2-177.5000107.9I26 V28 A64 L67 V74 I76I26-L56 HydrophobicContact CG2-CB 3.87Å; I26-L56 HydrophobicContact CG2-CD1 4.49Å; I26-L56 HydrophobicContact CG2-CD2 3.95Å; I26-L56 HydrophobicContact CG2-CG 4.32Å; V28-L56 HydrophobicContact CB-CD2 4.09Å; V28-L56 HydrophobicContact CG1-CD2 3.91Å; V28-L56 HydrophobicContact CG2-CD2 3.63Å; L56-A64 HydrophobicContact CB-CB 4.12Å; L56-A64 WeakPolarHBondContact O-CA 3.28Å; L56-A64 WeakPolarHBondContact O-CB 3.43Å; L56-A64 PolarHBondContact O-N 3.05Å; L56-L67 HydrophobicContact CD1-CD1 3.99Å; L56-V74 HydrophobicContact CD1-CB 3.87Å; L56-V74 HydrophobicContact CD1-CG1 3.43Å; L56-V74 VanDerWaalsContact CD1-CG1 3.43Å; L56-V74 HydrophobicContact CD1-CG2 3.74Å; L56-I76 HydrophobicContact CG-CD1 4.2Å
57I66.8Low66.1Low56 Ų5681.4 Ų81.429%0.28746%0.462SS..EExtended strand (participates in β ladder)trans-121.3118.7178.5-54.5173.9000106.4K27 V29 T55K27-I57 HydrophobicContact CB-CB 4.41Å; K27-I57 PolarHBondContact N-O 2.95Å; K27-I57 PolarHBondContact O-N 2.81Å; V29-I57 HydrophobicContact CG2-CD1 3.67Å; V29-I57 HydrophobicContact CG2-CG1 4.42Å; T55-I57 HydrophobicContact CG2-CG1 4.01Å
58S64.8Low64.4Low34 Ų3483.6 Ų83.624%0.23847%0.472CS..EExtended strand (participates in β ladder)trans-69.6140.4168.9-1780000108.4N60 G61S58-N60 PolarHBondContact O-N 3.32Å; S58-G61 PolarHBondContact O-N 2Å
59E63.8Low62.7Low143 Ų14383.2 Ų83.267%0.66847%0.474SS*.THydrogen-bonded Turntrans-54.3-21.2179-167.3171.3-165.800113R25 G61R25-E59 WeakPolarHBondContact CB-OE2 3.26Å; R25-E59 WeakPolarHBondContact CD-OE2 2.92Å; R25-E59 PolarHBondContact O-N 3.1Å; E59-G61 PolarHBondContact O-N 3.22Å; E59-G61 VanDerWaalsContact O-N 3.12Å
60N55.7Low60.9Low125 Ų12582.2 Ų82.267%0.66848%0.479SS*.THydrogen-bonded Turntrans-76.714.6175.5-54.7-24.2000114.6S58 H62S58-N60 PolarHBondContact O-N 3.32Å; N60-H62 PolarHBondContact O-N 2.03Å; N60-H62 VanDerWaalsContact O-N 3.07Å; N60-H62 PolarHBondContact O-ND1 3.4Å
61G51.3Low59.6Low64 Ų6481.2 Ų81.266%0.6648%0.483SS*.SBendtrans75.2-3.3166.800000116.8S58 E59S58-G61 PolarHBondContact O-N 2Å; E59-G61 PolarHBondContact O-N 3.22Å; E59-G61 VanDerWaalsContact O-N 3.12Å
62H56.7Low58.7Low153 Ų15385.6 Ų85.671%0.70850%0.497SS*.SBendtrans-89.2118.9173.1-65.858000107.7N60 A64N60-H62 PolarHBondContact O-N 2.03Å; N60-H62 VanDerWaalsContact O-N 3.07Å; N60-H62 PolarHBondContact O-ND1 3.4Å; H62-A64 PolarHBondContact O-N 3.06Å; H62-A64 VanDerWaalsContact O-N 3.11Å
63A49.8Very low57.9Low66 Ų6689.3 Ų89.355%0.54550%0.501SS..BIsolated β-bridgetrans-49.7122.217500000108.7D65A63-D65 PolarHBondContact O-N 2.88Å
64A52.3Low57.5Low17 Ų1790.3 Ų90.314%0.1451%0.507CS..G310 helixtrans-81.241.6-174.600000111.3L56 H62 T66 L67L56-A64 HydrophobicContact CB-CB 4.12Å; L56-A64 WeakPolarHBondContact O-CA 3.28Å; L56-A64 WeakPolarHBondContact O-CB 3.43Å; L56-A64 PolarHBondContact O-N 3.05Å; H62-A64 PolarHBondContact O-N 3.06Å; H62-A64 VanDerWaalsContact O-N 3.11Å; A64-T66 PolarHBondContact O-N 3.08Å; A64-L67 HydrophobicContact CB-CD1 3.96Å; A64-L67 HydrophobicContact CB-CG 4.04Å
65D47.6Very low57Low148 Ų14893 Ų9379%0.79152%0.523SS*.G310 helixtrans-64.5-13161.7-114.3-0.5000110.8A63A63-D65 PolarHBondContact O-N 2.88Å
66T49.5Very low56.9Low95 Ų9592.6 Ų92.658%0.58352%0.519SS*.G310 helixtrans-132.980.7172-1.40000109.5A64 T68A64-T66 PolarHBondContact O-N 3.08Å; T66-T68 WeakPolarHBondContact CB-OG1 3Å; T66-T68 HydrophobicContact CG2-CG2 3.49Å; T66-T68 VanDerWaalsContact CG2-CG2 3.49Å; T66-T68 WeakPolarHBondContact CG2-OG1 3.48Å; T66-T68 PolarHBondContact O-N 2.04Å; T66-T68 PolarHBondContact O-OG1 2.83Å
67L52.2Low56.9Low53 Ų5393.4 Ų93.428%0.27753%0.526SS..  trans-72.566.7147.8-75.6133.9000107.8I26 L56 A64 A69 F72 V74I26-L67 HydrophobicContact CD1-CD2 4.45Å; L56-L67 HydrophobicContact CD1-CD1 3.99Å; A64-L67 HydrophobicContact CB-CD1 3.96Å; A64-L67 HydrophobicContact CB-CG 4.04Å; L67-A69 PolarHBondContact O-N 2.88Å; L67-F72 HydrophobicContact CB-CD1 3.56Å; L67-F72 HydrophobicContact CB-CE1 4.14Å; L67-F72 HydrophobicContact CD1-CD1 4.08Å; L67-F72 HydrophobicContact CD1-CE1 3.78Å; L67-F72 HydrophobicContact CD2-CD1 4.02Å; L67-F72 HydrophobicContact CD2-CE1 3.93Å; L67-F72 HydrophobicContact CG-CD1 4.07Å; L67-F72 HydrophobicContact CG-CE1 4.15Å; L67-V74 HydrophobicContact CD1-CG2 3.91Å
68T51.2Low57Low116 Ų11693.6 Ų93.671%0.71253%0.525SS*.  trans-7648.7174.110.80000110.5T66 T70T66-T68 WeakPolarHBondContact CB-OG1 3Å; T66-T68 HydrophobicContact CG2-CG2 3.49Å; T66-T68 VanDerWaalsContact CG2-CG2 3.49Å; T66-T68 WeakPolarHBondContact CG2-OG1 3.48Å; T66-T68 PolarHBondContact O-N 2.04Å; T66-T68 PolarHBondContact O-OG1 2.83Å; T68-T70 PolarHBondContact O-N 2.89Å
69A50.8Low57.5Low65 Ų6593.2 Ų93.254%0.53752%0.521SS..SBendtrans-73.1121.7146.200000104.6L67 N71 F72L67-A69 PolarHBondContact O-N 2.88Å; A69-N71 PolarHBondContact O-N 3.31Å; A69-F72 HydrophobicContact CB-CB 4.02Å; A69-F72 PolarHBondContact O-N 2.69Å
70T51.1Low58.2Low129 Ų12990.9 Ų90.979%0.79152%0.518SS*.THydrogen-bonded Turntrans-46.8115.5165.843.90000106.6T68T68-T70 PolarHBondContact O-N 2.89Å
71N52.3Low59.6Low171 Ų17186.4 Ų86.491%0.91450%0.496SS*.THydrogen-bonded Turntrans93.35.4-175.7-44.5-58.5000119.4A69A69-N71 PolarHBondContact O-N 3.31Å
72F57.5Low61.1Low110 Ų11088 Ų8848%0.48249%0.488SS..  trans-107.6106.9172.3-163.7-103000112.1L67 A69 V74L67-F72 HydrophobicContact CB-CD1 3.56Å; L67-F72 HydrophobicContact CB-CE1 4.14Å; L67-F72 HydrophobicContact CD1-CD1 4.08Å; L67-F72 HydrophobicContact CD1-CE1 3.78Å; L67-F72 HydrophobicContact CD2-CD1 4.02Å; L67-F72 HydrophobicContact CD2-CE1 3.93Å; L67-F72 HydrophobicContact CG-CD1 4.07Å; L67-F72 HydrophobicContact CG-CE1 4.15Å; A69-F72 HydrophobicContact CB-CB 4.02Å; A69-F72 PolarHBondContact O-N 2.69Å; F72-V74 HydrophobicContact CD1-CG2 3.77Å; F72-V74 HydrophobicContact CE1-CG2 3.17Å; F72-V74 HydrophobicContact CZ-CG2 3.82Å
73R59.1Low62.4Low206 Ų20684.5 Ų84.578%0.77747%0.474SS*.  trans-117.2109.8177.2-170.7179.1-174-119.43.5110.1V75R73-V75 HydrophobicContact CG-CG2 4.31Å
74V61.7Low64Low65 Ų6584.8 Ų84.839%0.39448%0.484SS..  trans-89.3117172.7-174.80000109.1L56 L67 F72 I76L56-V74 HydrophobicContact CD1-CB 3.87Å; L56-V74 HydrophobicContact CD1-CG1 3.43Å; L56-V74 VanDerWaalsContact CD1-CG1 3.43Å; L56-V74 HydrophobicContact CD1-CG2 3.74Å; L67-V74 HydrophobicContact CD1-CG2 3.91Å; F72-V74 HydrophobicContact CD1-CG2 3.77Å; F72-V74 HydrophobicContact CE1-CG2 3.17Å; F72-V74 HydrophobicContact CZ-CG2 3.82Å; V74-I76 HydrophobicContact CG1-CD1 4.46Å; V74-I76 HydrophobicContact CG1-CG1 3.91Å
75V64Low65.7Low65 Ų6584.7 Ų84.739%0.39448%0.484SS..  trans-102.1113.8171.9-178.40000108.1R73R73-V75 HydrophobicContact CG-CG2 4.31Å
76I67.6Low67.5Low41 Ų4184.6 Ų84.621%0.2148%0.479CS..  trans-96.8118.7176.7-56.7169.5000108.5T54 L56 V74T54-I76 VanDerWaalsContact CB-CG2 3.46Å; T54-I76 HydrophobicContact CG2-CD1 4.05Å; T54-I76 HydrophobicContact CG2-CG2 4.04Å; T54-I76 WeakPolarHBondContact O-CD1 3.38Å; L56-I76 HydrophobicContact CG-CD1 4.2Å; V74-I76 HydrophobicContact CG1-CD1 4.46Å; V74-I76 HydrophobicContact CG1-CG1 3.91Å
77C69.4Low69.1Low39 Ų3982.1 Ų82.126%0.26447%0.465SS..  trans-86.7125.8174.8-133.30000110.5L79 C87C77-L79 PolarHBondContact SG-O 3.17Å; C77-L79 VanDerWaalsContact SG-O 3.4Å; C77-C87 VanDerWaalsContact CA-SG 3.59Å; C77-C87 HydrophobicContact CB-CB 3.67Å; C77-C87 WeakPolarHBondContact CB-SG 3.41Å; C77-C87 WeakPolarHBondContact SG-CB 3.33Å; C77-C87 CovalentContact SG-SG 2Å; C77-C87 PolarHBondContact SG-SG 2.92Å
78H69.3Low70.3Confident60 Ų6082.2 Ų82.228%0.27847%0.47SS..SBendtrans-85.4-17.8172.2-64162.5000112R90H78-R90 PolarHBondContact N-O 3.47Å; H78-R90 VanDerWaalsContact N-O 3.08Å
79L74.6Confident71.1Confident27 Ų2779 Ų7914%0.14145%0.452CS..SBendtrans-104130.2177.2-91.971.7000110.7C77 C81 D91 K102 L103C77-L79 PolarHBondContact SG-O 3.17Å; C77-L79 VanDerWaalsContact SG-O 3.4Å; L79-C81 PolarHBondContact O-N 2.95Å; L79-D91 WeakPolarHBondContact CD1-OD1 3.08Å; L79-K102 HydrophobicContact CD2-CD 3.65Å; L79-K102 HydrophobicContact CD2-CG 3.69Å; L79-L103 HydrophobicContact CB-CD2 3.6Å; L79-L103 HydrophobicContact CD2-CD2 3.62Å; L79-L103 HydrophobicContact CG-CD2 3.68Å
80P77.9Confident71.9Confident93 Ų9381.3 Ų81.360%0.60445%0.447SS*.  trans-77.592.4176.531-33.4000110.1M82 L103P80-M82 PolarHBondContact O-N 2.8Å; P80-L103 HydrophobicContact CG-CD2 4.35Å
81C85.5Confident73Confident32 Ų3279.3 Ų79.322%0.21643%0.432CS..  trans-62.8124.4172.6-52.10000110.1L79 G85 C93L79-C81 PolarHBondContact O-N 2.95Å; C81-G85 WeakPolarHBondContact CB-O 3.44Å; C81-C93 WeakPolarHBondContact CA-SG 3.04Å; C81-C93 HydrophobicContact CB-CB 3.78Å; C81-C93 WeakPolarHBondContact CB-SG 3.4Å; C81-C93 WeakPolarHBondContact SG-CA 2.96Å; C81-C93 WeakPolarHBondContact SG-CB 2.91Å; C81-C93 CovalentContact SG-SG 2.03Å; C81-C93 PolarHBondContact SG-SG 2.76Å
82M82.9Confident74.3Confident98 Ų9877.9 Ų77.948%0.48342%0.417SS..  trans-97.8173.1-177.4-57.5-175.773.500111.7P80 G84 G85 L103 C104 Q105P80-M82 PolarHBondContact O-N 2.8Å; M82-G84 PolarHBondContact O-N 2.92Å; M82-G85 PolarHBondContact O-N 3.37Å; M82-L103 WeakPolarHBondContact CB-O 3.05Å; M82-L103 PolarHBondContact N-O 3.34Å; M82-C104 WeakPolarHBondContact O-CB 3.45Å; M82-Q105 HydrophobicContact SD-CB 4.09Å
83N83.6Confident75.7Confident79 Ų7973.8 Ų73.842%0.42240%0.402SS..THydrogen-bonded Turntrans53.431170.1-58.9-52.5000115.1P96 F99 C104N83-P96 WeakPolarHBondContact O-CG 3.43Å; N83-F99 HydrophobicContact CB-CB 4.5Å; N83-F99 HydrophobicContact CB-CD1 3.77Å; N83-F99 HydrophobicContact CB-CD2 3.78Å; N83-F99 HydrophobicContact CB-CE1 3.81Å; N83-F99 HydrophobicContact CB-CE2 3.82Å; N83-F99 HydrophobicContact CB-CG 3.75Å; N83-F99 HydrophobicContact CB-CZ 3.83Å; N83-F99 VanDerWaalsContact CG-CE1 3.41Å; N83-F99 WeakPolarHBondContact ND2-CD1 3.22Å; N83-F99 WeakPolarHBondContact ND2-CE1 3.48Å; N83-C104 PolarHBondContact ND2-O 2.84Å
84G83Confident77.2Confident72 Ų7269.8 Ų69.874%0.74239%0.392SS*.THydrogen-bonded Turntrans82.314.7-179.400000115M82M82-G84 PolarHBondContact O-N 2.92Å
85G88.3Confident78.5Confident15 Ų1568.6 Ų68.616%0.15539%0.386CS..  trans-64.7137.8172.500000112.8C81 M82 Q94C81-G85 WeakPolarHBondContact CB-O 3.44Å; M82-G85 PolarHBondContact O-N 3.37Å; G85-Q94 CarbonylContact C-O 3.58Å; G85-Q94 VanDerWaalsContact CA-O 3.26Å; G85-Q94 WeakPolarHBondContact CA-O 3.06Å
86Q86.1Confident79.7Confident145 Ų14567.3 Ų67.368%0.67838%0.379SS*.EExtended strand (participates in β ladder)trans-92136177.3-106.8178.622.900111.6S88 Q94Q86-S88 PolarHBondContact O-N 3.48Å; Q86-Q94 HydrophobicContact CB-CB 4.44Å; Q86-Q94 PolarHBondContact N-O 3.31Å; Q86-Q94 WeakPolarHBondContact O-CB 3.48Å; Q86-Q94 PolarHBondContact O-N 2.85Å
87C84Confident80.6Confident43 Ų4370.9 Ų70.929%0.29141%0.405SS..EExtended strand (participates in β ladder)trans-78.5111.8173.2-172.10000110.7C77 S89C77-C87 VanDerWaalsContact CA-SG 3.59Å; C77-C87 HydrophobicContact CB-CB 3.67Å; C77-C87 WeakPolarHBondContact CB-SG 3.41Å; C77-C87 WeakPolarHBondContact SG-CB 3.33Å; C77-C87 CovalentContact SG-SG 2Å; C77-C87 PolarHBondContact SG-SG 2.92Å; C87-S89 PolarHBondContact SG-O 3.49Å
88S76.1Confident81.4Confident56 Ų5672 Ų7239%0.39241%0.408SS..EExtended strand (participates in β ladder)trans-87-32.7176.564.90000112.3Q86 K92Q86-S88 PolarHBondContact O-N 3.48Å; S88-K92 PolarHBondContact N-O 3.34Å; S88-K92 VanDerWaalsContact N-O 3.1Å; S88-K92 PolarHBondContact OG-O 3.2Å; S88-K92 VanDerWaalsContact OG-O 3.1Å
89S68.8Low82.4Confident48 Ų4870.9 Ų70.934%0.33640%0.403SS..EExtended strand (participates in β ladder)trans-158.7168.4178.855.50000109.5C87 D91 K92C87-S89 PolarHBondContact SG-O 3.49Å; S89-D91 PolarHBondContact O-N 2.94Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-K92 WeakPolarHBondContact OG-CB 3.37Å
90R67.9Low83Confident114 Ų11473 Ų7343%0.4342%0.417SS..THydrogen-bonded Turntrans-42.3-38.8-171.7-81.6-178.8-160.3-153.23.6115.5T53 H78T53-R90 VanDerWaalsContact CG2-NH1 3.3Å; T53-R90 PolarHBondContact OG1-NH1 2.99Å; T53-R90 PolarHBondContact OG1-NH2 3.44Å; H78-R90 PolarHBondContact N-O 3.47Å; H78-R90 VanDerWaalsContact N-O 3.08Å
91D73.8Confident83.3Confident86 Ų8669.8 Ų69.846%0.4640%0.4SS..THydrogen-bonded Turntrans-121.510.6-172-58.7-54.3000114L79 S89L79-D91 WeakPolarHBondContact CD1-OD1 3.08Å; S89-D91 PolarHBondContact O-N 2.94Å
92K79.4Confident83.3Confident142 Ų14274.8 Ų74.862%0.61742%0.418SS*.EExtended strand (participates in β ladder)trans-126.2114.8-178.3-63.3-172.3179.7-1730112.2S88 S89S88-K92 PolarHBondContact N-O 3.34Å; S88-K92 VanDerWaalsContact N-O 3.1Å; S88-K92 PolarHBondContact OG-O 3.2Å; S88-K92 VanDerWaalsContact OG-O 3.1Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-K92 WeakPolarHBondContact OG-CB 3.37Å
93C86.9Confident83.4Confident23 Ų2372.2 Ų72.216%0.15541%0.406CS..EExtended strand (participates in β ladder)trans-86.7134.4166.3-61.20000110.5C81 K102 C104C81-C93 WeakPolarHBondContact CA-SG 3.04Å; C81-C93 HydrophobicContact CB-CB 3.78Å; C81-C93 WeakPolarHBondContact CB-SG 3.4Å; C81-C93 WeakPolarHBondContact SG-CA 2.96Å; C81-C93 WeakPolarHBondContact SG-CB 2.91Å; C81-C93 CovalentContact SG-SG 2.03Å; C81-C93 PolarHBondContact SG-SG 2.76Å; C93-K102 PolarHBondContact SG-O 2.83Å; C93-K102 VanDerWaalsContact SG-O 3.35Å; C93-C104 VanDerWaalsContact CB-SG 3.58Å
94Q91.1Very high83.6Confident123 Ų12368.5 Ų68.558%0.57539%0.386SS*.EExtended strand (participates in β ladder)trans-96.6105.7168.4-169.3158.317.400107.5G85 Q86G85-Q94 CarbonylContact C-O 3.58Å; G85-Q94 VanDerWaalsContact CA-O 3.26Å; G85-Q94 WeakPolarHBondContact CA-O 3.06Å; Q86-Q94 HydrophobicContact CB-CB 4.44Å; Q86-Q94 PolarHBondContact N-O 3.31Å; Q86-Q94 WeakPolarHBondContact O-CB 3.48Å; Q86-Q94 PolarHBondContact O-N 2.85Å
95C89.4Confident83.8Confident40 Ų4069.2 Ų69.227%0.2737%0.37SS..  trans-85.4146.6-173.3-54.90000111.9F99 C104C95-F99 WeakPolarHBondContact CB-O 3.37Å; C95-C104 WeakPolarHBondContact CA-SG 3.05Å; C95-C104 HydrophobicContact CB-CB 3.73Å; C95-C104 WeakPolarHBondContact CB-SG 3.26Å; C95-C104 WeakPolarHBondContact SG-CA 3.27Å; C95-C104 WeakPolarHBondContact SG-CB 3.06Å; C95-C104 CovalentContact SG-SG 2.04Å; C95-C104 PolarHBondContact SG-SG 2.95Å
96P88.9Confident83.7Confident37 Ų3772.5 Ų72.524%0.2438%0.383CS..  trans-65.7161.6169.629.2-35.4000110.9N83 N98 F99N83-P96 WeakPolarHBondContact O-CG 3.43Å; P96-N98 PolarHBondContact O-N 2.88Å; P96-F99 HydrophobicContact CG-CB 4.21Å; P96-F99 HydrophobicContact CG-CD2 3.92Å; P96-F99 PolarHBondContact O-N 3.24Å
97P86.6Confident83.5Confident117 Ų11769.3 Ų69.376%0.7638%0.375SS*.THydrogen-bonded Turntrans-55.4-24.1-171.9-26.534.3000115.3
98N86.4Confident83.6Confident61 Ų6170.2 Ų70.233%0.32638%0.38SS..THydrogen-bonded Turntrans-92.3-4.9-174.5-53.2-3.4000112.6P96 P107 V108 A111P96-N98 PolarHBondContact O-N 2.88Å; N98-P107 CarbonylContact O-C 3.5Å; N98-P107 WeakPolarHBondContact O-CA 3.38Å; N98-V108 PolarHBondContact O-N 3.11Å; N98-A111 HydrophobicContact CB-CB 3.75Å; N98-A111 WeakPolarHBondContact OD1-CB 3.19Å
99F89.1Confident83.2Confident38 Ų3876.4 Ų76.417%0.16741%0.407CS..EExtended strand (participates in β ladder)trans-134.4148.2-176.1-66.4-88000111.8N83 C95 P96 C104 I106 P107 M113N83-F99 HydrophobicContact CB-CB 4.5Å; N83-F99 HydrophobicContact CB-CD1 3.77Å; N83-F99 HydrophobicContact CB-CD2 3.78Å; N83-F99 HydrophobicContact CB-CE1 3.81Å; N83-F99 HydrophobicContact CB-CE2 3.82Å; N83-F99 HydrophobicContact CB-CG 3.75Å; N83-F99 HydrophobicContact CB-CZ 3.83Å; N83-F99 VanDerWaalsContact CG-CE1 3.41Å; N83-F99 WeakPolarHBondContact ND2-CD1 3.22Å; N83-F99 WeakPolarHBondContact ND2-CE1 3.48Å; C95-F99 WeakPolarHBondContact CB-O 3.37Å; P96-F99 HydrophobicContact CG-CB 4.21Å; P96-F99 HydrophobicContact CG-CD2 3.92Å; P96-F99 PolarHBondContact O-N 3.24Å; F99-C104 HydrophobicContact CB-CB 4.3Å; F99-I106 CarbonylContact C-O 3.55Å; F99-I106 VanDerWaalsContact CA-O 3.27Å; F99-I106 WeakPolarHBondContact CA-O 2.98Å; F99-P107 HydrophobicContact CD1-CB 4.43Å; F99-P107 HydrophobicContact CE1-CB 4.32Å; F99-M113 HydrophobicContact CZ-CE 4.42Å
100T86.9Confident82.9Confident72 Ų7277.8 Ų77.844%0.44243%0.429SS..EExtended strand (participates in β ladder)trans-143.7-177.5-178.9-168.90000110.2C104 Q105 I106 V108T100-C104 CarbonylContact O-C 3.58Å; T100-C104 VanDerWaalsContact O-C 3.31Å; T100-C104 VanDerWaalsContact O-CA 3.28Å; T100-C104 WeakPolarHBondContact O-CA 3.35Å; T100-Q105 PolarHBondContact O-N 2.82Å; T100-I106 HydrophobicContact CG2-CB 3.74Å; T100-I106 HydrophobicContact CG2-CG2 3.82Å; T100-I106 PolarHBondContact N-O 2.98Å; T100-I106 WeakPolarHBondContact O-CB 3.16Å; T100-I106 PolarHBondContact O-N 2.76Å; T100-V108 HydrophobicContact CG2-CG2 3.98Å
101G85.4Confident82.2Confident24 Ų2473.8 Ų73.825%0.24742%0.421CS..SBendtrans89.7162.9-172.500000113L103 C104G101-L103 PolarHBondContact O-N 2.99Å; G101-L103 VanDerWaalsContact O-N 3.09Å; G101-C104 PolarHBondContact O-N 3.4Å
102K83.9Confident81.5Confident138 Ų13875 Ų7560%0.644%0.436SS*.THydrogen-bonded Turntrans-58.6-27-173.4-162.3-174.8-175.8-1680113.5L79 C93L79-K102 HydrophobicContact CD2-CD 3.65Å; L79-K102 HydrophobicContact CD2-CG 3.69Å; C93-K102 PolarHBondContact SG-O 2.83Å; C93-K102 VanDerWaalsContact SG-O 3.35Å
103L85.1Confident80Confident44 Ų4474.3 Ų74.323%0.2344%0.436CS..THydrogen-bonded Turntrans-114.212.7179.1-58.1175.5000112.3L79 P80 M82 G101 Q105L79-L103 HydrophobicContact CB-CD2 3.6Å; L79-L103 HydrophobicContact CD2-CD2 3.62Å; L79-L103 HydrophobicContact CG-CD2 3.68Å; P80-L103 HydrophobicContact CG-CD2 4.35Å; M82-L103 WeakPolarHBondContact CB-O 3.05Å; M82-L103 PolarHBondContact N-O 3.34Å; G101-L103 PolarHBondContact O-N 2.99Å; G101-L103 VanDerWaalsContact O-N 3.09Å; L103-Q105 PolarHBondContact O-N 3.24Å
104C88Confident78Confident0 Ų078.8 Ų78.80%047%0.465CS..SBendtrans57.631.3-173-47.10000113.6M82 N83 C93 C95 F99 T100 G101M82-C104 WeakPolarHBondContact O-CB 3.45Å; N83-C104 PolarHBondContact ND2-O 2.84Å; C93-C104 VanDerWaalsContact CB-SG 3.58Å; C95-C104 WeakPolarHBondContact CA-SG 3.05Å; C95-C104 HydrophobicContact CB-CB 3.73Å; C95-C104 WeakPolarHBondContact CB-SG 3.26Å; C95-C104 WeakPolarHBondContact SG-CA 3.27Å; C95-C104 WeakPolarHBondContact SG-CB 3.06Å; C95-C104 CovalentContact SG-SG 2.04Å; C95-C104 PolarHBondContact SG-SG 2.95Å; F99-C104 HydrophobicContact CB-CB 4.3Å; T100-C104 CarbonylContact O-C 3.58Å; T100-C104 VanDerWaalsContact O-C 3.31Å; T100-C104 VanDerWaalsContact O-CA 3.28Å; T100-C104 WeakPolarHBondContact O-CA 3.35Å; G101-C104 PolarHBondContact O-N 3.4Å
105Q87.5Confident75.7Confident87 Ų8780.2 Ų80.241%0.40747%0.469SS..  trans-88.2-14.9-176.375.8-84.435.800113.9M82 T100 L103M82-Q105 HydrophobicContact SD-CB 4.09Å; T100-Q105 PolarHBondContact O-N 2.82Å; L103-Q105 PolarHBondContact O-N 3.24Å
106I86.4Confident73.5Confident84 Ų8485.3 Ų85.343%0.43149%0.493SS..EExtended strand (participates in β ladder)trans-99.9120.1-173.2-52.8174.5000108.6F99 T100F99-I106 CarbonylContact C-O 3.55Å; F99-I106 VanDerWaalsContact CA-O 3.27Å; F99-I106 WeakPolarHBondContact CA-O 2.98Å; T100-I106 HydrophobicContact CG2-CB 3.74Å; T100-I106 HydrophobicContact CG2-CG2 3.82Å; T100-I106 PolarHBondContact N-O 2.98Å; T100-I106 WeakPolarHBondContact O-CB 3.16Å; T100-I106 PolarHBondContact O-N 2.76Å
107P81.7Confident71.2Confident78 Ų7895 Ų9551%0.50653%0.526SS..EExtended strand (participates in β ladder)trans-71.1139.9173.928.3-32.7000111.2N98 F99 L109N98-P107 CarbonylContact O-C 3.5Å; N98-P107 WeakPolarHBondContact O-CA 3.38Å; F99-P107 HydrophobicContact CD1-CB 4.43Å; F99-P107 HydrophobicContact CE1-CB 4.32Å; P107-L109 PolarHBondContact O-N 3.12Å
108V86.1Confident68.9Low63 Ų6395.6 Ų95.638%0.38252%0.519SS..PPolyproline II helixtrans-82.8116174.7-171.30000108.3N98 T100 G110 A111N98-V108 PolarHBondContact O-N 3.11Å; T100-V108 HydrophobicContact CG2-CG2 3.98Å; V108-G110 VanDerWaalsContact C-N 3.29Å; V108-G110 PolarHBondContact O-N 2.95Å; V108-A111 PolarHBondContact O-N 3.27Å
109L68.9Low66.6Low185 Ų185101.9 Ų101.997%0.96955%0.546SS*.THydrogen-bonded Turntrans-65.486.4175.9-71.5161.5000109.4P107P107-L109 PolarHBondContact O-N 3.12Å
110G62.2Low64.5Low78 Ų78104.2 Ų104.280%0.80457%0.572SS**THydrogen-bonded Turntrans163.8-20.2-178.600000114.3V108V108-G110 VanDerWaalsContact C-N 3.29Å; V108-G110 PolarHBondContact O-N 2.95Å
111A53.4Low62.2Low30 Ų30110.1 Ų110.125%0.24860%0.595CS.*SBendtrans-94.8128.5171.500000110.8N98 V108 M113N98-A111 HydrophobicContact CB-CB 3.75Å; N98-A111 WeakPolarHBondContact OD1-CB 3.19Å; V108-A111 PolarHBondContact O-N 3.27Å; A111-M113 PolarHBondContact O-N 2.97Å
112S57.5Low60.5Low111 Ų111118.3 Ų118.378%0.77663%0.627SS**  trans-4792.2179.754.50000113.4
113M48.3Very low58.2Low127 Ų127121.2 Ų121.263%0.62664%0.642SS**  trans-85.9135.2152.5-77.3-66.7-114.700107.8F99 A111 K115F99-M113 HydrophobicContact CZ-CE 4.42Å; A111-M113 PolarHBondContact O-N 2.97Å; M113-K115 PolarHBondContact O-N 3.12Å
114P45.4Very low56.3Low117 Ų117122.4 Ų122.476%0.7667%0.665SS**  trans-54.2118.3163.1-17.829.9000107.6L116P114-L116 PolarHBondContact O-N 3.07Å
115K41.9Very low54Low153 Ų153132.3 Ų132.367%0.66571%0.709SS**  trans-51.896.7170.4-111.9167.1168.3-173.20108.9M113 Q118M113-K115 PolarHBondContact O-N 3.12Å; K115-Q118 HydrophobicContact CD-CG 4.02Å; K115-Q118 VanDerWaalsContact CD-OE1 3.28Å; K115-Q118 HydrophobicContact CG-CG 3.98Å
116L43.7Very low51.6Low147 Ų147132.2 Ų132.277%0.7772%0.723SS**  trans-132.735162.1-157.177.1000111.6P114P114-L116 PolarHBondContact O-N 3.07Å
117Y40.2Very low49.6Very low240 Ų240137.1 Ų137.194%0.94175%0.749SS**  trans-148.860.9154.5-80.3-75.5000108.4H119Y117-H119 PolarHBondContact O-N 3.02Å
118Q38.4Very low48.1Very low131 Ų131137.3 Ų137.361%0.61277%0.765SS**  trans-77.3103.3159.5-101163.4-50.900107.7K115K115-Q118 HydrophobicContact CD-CG 4.02Å; K115-Q118 VanDerWaalsContact CD-OE1 3.28Å; K115-Q118 HydrophobicContact CG-CG 3.98Å
119H38.9Very low46.2Very low193 Ų193139 Ų13989%0.89478%0.78SS**  trans-127129.5145.8-138.9-86.8000108.5Y117Y117-H119 PolarHBondContact O-N 3.02Å
120A44.2Very low45.6Very low86 Ų86137.6 Ų137.671%0.71177%0.768SS**  trans-61.2145.4-158.800000115.2
121Q38.6Very low45.3Very low196 Ų196138 Ų13892%0.91676%0.755SS**  -170.5102.4114.3-99.9179.9-10.200110
122Q49.8Very low45.6Very low196 Ų196141.9 Ų141.992%0.91677%0.77SS**  trans-82.7124.9161.3-71.6179.3-23.300107.6
123Q36.3Very low45.8Very low199 Ų199141 Ų14193%0.9375%0.753SS**  trans-140.7106.3149.8-158.6144.8-3.100107.4
124G44.3Very low46.9Very low69 Ų69136 Ų13671%0.71173%0.731SS**  trans-76.4167.9-165.900000115
125K39.3Very low47.9Very low209 Ų209133.8 Ų133.891%0.90972%0.715SS**  -174130.2127.2-108.6174.3177.5-177.30112.7
126A37Very low49.5Very low85 Ų85131.3 Ų131.370%0.70271%0.706SS**  trans41.1121.7138.700000120.9G128A126-G128 PolarHBondContact O-N 2.73Å
127L46.3Very low50.5Low186 Ų186128.5 Ų128.597%0.97470%0.695SS**SBendtrans-39.8112.9149.7-176.269.3000110.7
128G49.3Very low51.8Low82 Ų82121 Ų12185%0.84567%0.671SS**  trans116.929.2163.700000119.4A126A126-G128 PolarHBondContact O-N 2.73Å
129S45.8Very low52.8Low99 Ų99119.4 Ų119.469%0.69267%0.672SS**  trans-127.6127.1166.7-171.80000110.8V131S129-V131 WeakPolarHBondContact O-CG2 3.38Å; S129-V131 PolarHBondContact O-N 3.07Å
130H56.3Low53.2Low155 Ų155115.2 Ų115.272%0.71866%0.656SS**  trans-53.8110.4172.8-89.3-114.2000109.2I132H130-I132 PolarHBondContact O-N 2.8Å; H130-I132 VanDerWaalsContact O-N 3.09Å
131V56.7Low53.6Low88 Ų88117.1 Ų117.153%0.53366%0.658SS.*  trans-82.285.8179.9-178.40000107.7S129 H133 H163S129-V131 WeakPolarHBondContact O-CG2 3.38Å; S129-V131 PolarHBondContact O-N 3.07Å; V131-H133 WeakPolarHBondContact CG1-O 3.11Å; V131-H133 PolarHBondContact O-N 2.7Å; V131-H163 PolarHBondContact O-ND1 2.98Å
132I59.1Low54Low111 Ų111115.8 Ų115.857%0.56965%0.654SS**SBendtrans-67.8-18179.4-54.9174.8000111H130 K162 H163H130-I132 PolarHBondContact O-N 2.8Å; H130-I132 VanDerWaalsContact O-N 3.09Å; I132-K162 VanDerWaalsContact O-CA 3.31Å; I132-K162 WeakPolarHBondContact O-CA 3.33Å; I132-H163 PolarHBondContact O-N 2.78Å
133H63Low53.7Low91 Ų91113.3 Ų113.342%0.42165%0.653SS.*EExtended strand (participates in β ladder)trans-144126.7177.8-162-134.6000111.9V131 H160 V161 K162V131-H133 WeakPolarHBondContact CG1-O 3.11Å; V131-H133 PolarHBondContact O-N 2.7Å; H133-H160 AromaticContact CE1-CD2 3.38Å; H133-H160 PolarHBondContact CE1-CD2 2.88Å; H133-H160 AromaticContact CE1-CG 3.94Å; H133-H160 WeakPolarHBondContact NE2-CB 3.36Å; H133-H160 AromaticContact NE2-CD2 3.92Å; H133-V161 CarbonylContact C-O 3.31Å; H133-V161 WeakPolarHBondContact CA-O 3.45Å; H133-V161 PolarHBondContact CD2-O 3.09Å; H133-K162 VanDerWaalsContact CD2-CG 3.49Å; H133-K162 WeakPolarHBondContact CD2-CG 3.39Å
134S69.9Low54.3Low24 Ų24108.5 Ų108.517%0.16864%0.641CS.*EExtended strand (participates in β ladder)trans-125145.4174.866.20000111.1H136 V161 H163S134-H136 PolarHBondContact OG-CE1 3.29Å; S134-V161 PolarHBondContact N-O 3.12Å; S134-V161 PolarHBondContact O-N 3.48Å; S134-H163 PolarHBondContact OG-CE1 3.5Å; S134-H163 VanDerWaalsContact OG-CE1 3.29Å
135T67.5Low54.2Low69 Ų69113.7 Ų113.742%0.42365%0.647SS.*EExtended strand (participates in β ladder)trans-120.1125.5-179.2-54.80000110.4N158 I159 H160T135-N158 HydrophobicContact CG2-CB 3.94Å; T135-I159 CarbonylContact C-O 3.56Å; T135-I159 VanDerWaalsContact CA-O 3.26Å; T135-I159 WeakPolarHBondContact CA-O 3.39Å; T135-H160 PolarHBondContact OG1-CD2 3.48Å; T135-H160 PolarHBondContact OG1-NE2 3.05Å
136H75.3Confident54.3Low102 Ų102113.2 Ų113.247%0.47265%0.648SS.*EExtended strand (participates in β ladder)trans-114.4130179.3-62.981.2000110.5S134 L138 N158 I159S134-H136 PolarHBondContact OG-CE1 3.29Å; H136-L138 HydrophobicContact CB-CD1 4.22Å; H136-N158 CarbonylContact O-C 3.52Å; H136-N158 WeakPolarHBondContact O-CA 3.41Å; H136-I159 HydrophobicContact CB-CB 4.4Å; H136-I159 PolarHBondContact N-O 3.3Å; H136-I159 PolarHBondContact O-N 3.22Å
137T64Low54.7Low87 Ų87112.8 Ų112.853%0.53465%0.651SS.*EExtended strand (participates in β ladder)trans-105.6114.3-174.7-58.50000109.6I156 V157 N158T137-I156 HydrophobicContact CG2-CB 4.47Å; T137-I156 HydrophobicContact CG2-CG2 3.05Å; T137-V157 WeakPolarHBondContact CA-O 3.3Å; T137-N158 WeakPolarHBondContact CG2-OD1 3.48Å; T137-N158 PolarHBondContact OG1-OD1 3.44Å
138L67.4Low54.4Low83 Ų83109.6 Ų109.644%0.43564%0.639SS.*EExtended strand (participates in β ladder)trans-117.2136-179.4-65.796.2000112.1H136 V157 I159H136-L138 HydrophobicContact CB-CD1 4.22Å; L138-V157 PolarHBondContact N-O 2.75Å; L138-V157 PolarHBondContact O-N 2.71Å; L138-I159 HydrophobicContact CD1-CD1 3.41Å; L138-I159 VanDerWaalsContact CD1-CD1 3.41Å; L138-I159 HydrophobicContact CD1-CG1 3.81Å
139P59.9Low54Low98 Ų98116 Ų11664%0.63664%0.644SS**EExtended strand (participates in β ladder)trans-78.2133.8173.730.5-32000111.4T141P139-T141 PolarHBondContact O-N 3.33Å
140L48.1Very low53.9Low105 Ų105115.2 Ų115.255%0.5564%0.635SS.*  trans-83.387.9170.1-63.2176.3000109.8M142 N155 V157L140-M142 PolarHBondContact O-N 3.2Å; L140-N155 HydrophobicContact CB-CB 4.36Å; L140-N155 WeakPolarHBondContact CB-O 3.16Å; L140-N155 HydrophobicContact CD1-CB 4.34Å; L140-N155 PolarHBondContact N-O 3.27Å; L140-V157 HydrophobicContact CD1-CG2 3.56Å; L140-V157 HydrophobicContact CD2-CG2 3.93Å; L140-V157 HydrophobicContact CG-CG2 3.71Å
141T51.5Low53.3Low126 Ų126117.6 Ų117.677%0.77364%0.643SS**  trans-74.2104.1168.6190000110.1P139P139-T141 PolarHBondContact O-N 3.33Å
142M47.3Very low52.7Low168 Ų168120.1 Ų120.183%0.82865%0.647SS**  trans-84.6122158.2-74.6-74.3102.100108.1L140 S144L140-M142 PolarHBondContact O-N 3.2Å; M142-S144 PolarHBondContact O-N 3.14Å
143T44.5Very low52.2Low144 Ų144119.4 Ų119.488%0.88365%0.65SS**  trans-66.795.8169.9480000108.7
144S47Very low51.8Low97 Ų97120.2 Ų120.268%0.67866%0.663SS**PPolyproline II helixtrans-81.4127.7173.6-171.30000109.4M142M142-S144 PolarHBondContact O-N 3.14Å
145Q42.2Very low51.1Low179 Ų179123.9 Ų123.984%0.83668%0.68SS**PPolyproline II helixtrans-56.4142.3169.1-67.6-174.8-30.200110G147Q145-G147 PolarHBondContact O-N 3.47Å
146Q42.4Very low51.1Low199 Ų199124.6 Ų124.693%0.9368%0.681SS**THydrogen-bonded Turntrans-48.2129.5-178-78.3112.6-1900112.5
147G46.3Very low50.6Low75 Ų75122.8 Ų122.877%0.77368%0.677SS**THydrogen-bonded Turntrans140.5-11.6150.900000119Q145Q145-G147 PolarHBondContact O-N 3.47Å
148V39.9Very low50.7Low119 Ų119122.7 Ų122.772%0.72167%0.673SS**  trans-125.3113.1-179-167.50000111.2V150V148-V150 HydrophobicContact CB-CG2 4.26Å; V148-V150 HydrophobicContact CG1-CG2 3.85Å; V148-V150 PolarHBondContact O-N 3.18Å
149K40.9Very low51.1Low217 Ų217122.5 Ų122.594%0.94367%0.671SS**  trans-74.571.4176.8-163.3-164.4-173.8-161.40110.4
150V42.9Very low51.8Low83 Ų83123.2 Ų123.250%0.50367%0.666SS.*  trans-89.1115.2167.7-129.10000108.4V148 F152V148-V150 HydrophobicContact CB-CG2 4.26Å; V148-V150 HydrophobicContact CG1-CG2 3.85Å; V148-V150 PolarHBondContact O-N 3.18Å; V150-F152 VanDerWaalsContact C-N 3.29Å; V150-F152 HydrophobicContact CB-CD2 4.07Å; V150-F152 HydrophobicContact CB-CE2 3.62Å; V150-F152 HydrophobicContact CB-CZ 4.02Å; V150-F152 HydrophobicContact CG2-CE2 3.73Å; V150-F152 HydrophobicContact CG2-CZ 4.06Å; V150-F152 WeakPolarHBondContact O-CD2 3.41Å; V150-F152 PolarHBondContact O-N 3.5Å
151K42.9Very low53.3Low204 Ų204120.7 Ų120.789%0.88766%0.655SS**  trans-7387.4171.8-174.8172.5177.8-178.50107.9
152F45.8Very low54.2Low142 Ų142122.8 Ų122.862%0.62365%0.653SS**  trans-68.4130.3171.3-71.1-81.8000109V150V150-F152 VanDerWaalsContact C-N 3.29Å; V150-F152 HydrophobicContact CB-CD2 4.07Å; V150-F152 HydrophobicContact CB-CE2 3.62Å; V150-F152 HydrophobicContact CB-CZ 4.02Å; V150-F152 HydrophobicContact CG2-CE2 3.73Å; V150-F152 HydrophobicContact CG2-CZ 4.06Å; V150-F152 WeakPolarHBondContact O-CD2 3.41Å; V150-F152 PolarHBondContact O-N 3.5Å
153P47.1Very low55Low96 Ų96118.8 Ų118.862%0.62363%0.633SS**  trans-58.4151.4166.626.1-31.5000108.7N155P153-N155 PolarHBondContact O-N 3.45Å
154P54.4Low55.7Low107 Ų107117.4 Ų117.470%0.69563%0.626SS**  trans-64.8102-170.628.7-35000109.3I156P154-I156 HydrophobicContact CB-CD1 3.66Å; P154-I156 HydrophobicContact CB-CG1 3.91Å; P154-I156 HydrophobicContact CG-CD1 4.23Å; P154-I156 PolarHBondContact O-N 3.5Å
155N55.8Low56.5Low101 Ų101120.6 Ų120.654%0.5464%0.644SS.*  trans-72.880.4171.8-86.7-58.5000107.9L140 P153L140-N155 HydrophobicContact CB-CB 4.36Å; L140-N155 WeakPolarHBondContact CB-O 3.16Å; L140-N155 HydrophobicContact CD1-CB 4.34Å; L140-N155 PolarHBondContact N-O 3.27Å; P153-N155 PolarHBondContact O-N 3.45Å
156I67.1Low57.2Low85 Ų85117.7 Ų117.744%0.43664%0.635SS.*EExtended strand (participates in β ladder)trans-99.6132.1179.6-72.6169.5000108T137 P154T137-I156 HydrophobicContact CG2-CB 4.47Å; T137-I156 HydrophobicContact CG2-CG2 3.05Å; P154-I156 HydrophobicContact CB-CD1 3.66Å; P154-I156 HydrophobicContact CB-CG1 3.91Å; P154-I156 HydrophobicContact CG-CD1 4.23Å; P154-I156 PolarHBondContact O-N 3.5Å
157V65.2Low58Low63 Ų63113.4 Ų113.438%0.38262%0.619SS.*EExtended strand (participates in β ladder)trans-106.3128.5174.3178.50000109.4T137 L138 L140 I159T137-V157 WeakPolarHBondContact CA-O 3.3Å; L138-V157 PolarHBondContact N-O 2.75Å; L138-V157 PolarHBondContact O-N 2.71Å; L140-V157 HydrophobicContact CD1-CG2 3.56Å; L140-V157 HydrophobicContact CD2-CG2 3.93Å; L140-V157 HydrophobicContact CG-CG2 3.71Å; V157-I159 HydrophobicContact CG1-CG1 4.27Å
158N66.1Low58.7Low86 Ų86115.5 Ų115.546%0.4661%0.61SS.*EExtended strand (participates in β ladder)trans-96.5110.2172.3-69.2-32.9000109.5T135 H136 T137 H160T135-N158 HydrophobicContact CG2-CB 3.94Å; H136-N158 CarbonylContact O-C 3.52Å; H136-N158 WeakPolarHBondContact O-CA 3.41Å; T137-N158 WeakPolarHBondContact CG2-OD1 3.48Å; T137-N158 PolarHBondContact OG1-OD1 3.44Å; N158-H160 PolarHBondContact O-ND1 3.35Å
159I75.1Confident59.8Low78 Ų78115.3 Ų115.340%0.460%0.604SS.*EExtended strand (participates in β ladder)trans-89.5118.9176.2-56.7-172.5000108.9T135 H136 L138 V157 V161T135-I159 CarbonylContact C-O 3.56Å; T135-I159 VanDerWaalsContact CA-O 3.26Å; T135-I159 WeakPolarHBondContact CA-O 3.39Å; H136-I159 HydrophobicContact CB-CB 4.4Å; H136-I159 PolarHBondContact N-O 3.3Å; H136-I159 PolarHBondContact O-N 3.22Å; L138-I159 HydrophobicContact CD1-CD1 3.41Å; L138-I159 VanDerWaalsContact CD1-CD1 3.41Å; L138-I159 HydrophobicContact CD1-CG1 3.81Å; V157-I159 HydrophobicContact CG1-CG1 4.27Å; I159-V161 HydrophobicContact CG2-CG2 4.1Å
160H75.6Confident61Low114 Ų114108.9 Ų108.953%0.52858%0.583SS.*EExtended strand (participates in β ladder)trans-97.5116.8177.8-6994.4000109.5H133 T135 N158H133-H160 AromaticContact CE1-CD2 3.38Å; H133-H160 PolarHBondContact CE1-CD2 2.88Å; H133-H160 AromaticContact CE1-CG 3.94Å; H133-H160 WeakPolarHBondContact NE2-CB 3.36Å; H133-H160 AromaticContact NE2-CD2 3.92Å; T135-H160 PolarHBondContact OG1-CD2 3.48Å; T135-H160 PolarHBondContact OG1-NE2 3.05Å; N158-H160 PolarHBondContact O-ND1 3.35Å
161V78.5Confident62.2Low51 Ų51110.7 Ų110.731%0.30959%0.588SS.*EExtended strand (participates in β ladder)trans-109.5116.5-179.3-176.90000108.4H133 S134 I159H133-V161 CarbonylContact C-O 3.31Å; H133-V161 WeakPolarHBondContact CA-O 3.45Å; H133-V161 PolarHBondContact CD2-O 3.09Å; S134-V161 PolarHBondContact N-O 3.12Å; S134-V161 PolarHBondContact O-N 3.48Å; I159-V161 HydrophobicContact CG2-CG2 4.1Å
162K70.8Confident63.5Low170 Ų170104 Ų10474%0.73957%0.567SS**EExtended strand (participates in β ladder)trans-88.3125.4168.4-74.4-176.7179.1-1780109.4I132 H133I132-K162 VanDerWaalsContact O-CA 3.31Å; I132-K162 WeakPolarHBondContact O-CA 3.33Å; H133-K162 VanDerWaalsContact CD2-CG 3.49Å; H133-K162 WeakPolarHBondContact CD2-CG 3.39Å
163H64.9Low64.9Low85 Ų85101.1 Ų101.139%0.39456%0.562SS.*PPolyproline II helixtrans-90.4135.5171.6-57.6103.4000109V131 I132 S134V131-H163 PolarHBondContact O-ND1 2.98Å; I132-H163 PolarHBondContact O-N 2.78Å; S134-H163 PolarHBondContact OG-CE1 3.5Å; S134-H163 VanDerWaalsContact OG-CE1 3.29Å
164P59.5Low66.4Low115 Ų115101.5 Ų101.575%0.74756%0.557SS**PPolyproline II helixtrans-63150.7169.526-30.9000110.6
165P63.6Low67.5Low163 Ų163101 Ų101100%1.05855%0.545SS*.  trans-62.70-177.326.2-33.7000113.4

Retrieved 165 of 165 residues in 28.1 ms (Link to these results)