A0A077ZN44_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 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
1M37.3Very low44.2Very low244 Ų244171 Ų171100%1.20284%0.835SS**  0124.30-82.3-177.4163.500108.3
2A51.7Low43.9Very low107 Ų107173.8 Ų173.888%0.88483%0.83SS**  trans34.596161.300000118.4
3L41.8Very low44.3Very low165 Ų165168.8 Ų168.886%0.86481%0.811SS**  trans-102.7139.6160.4-91.4161.5000109.7
4H47.1Very low45.1Very low172 Ų172162.9 Ų162.980%0.79679%0.786SS**  trans-54.2134.9171.3-67.1-91.1000112.1
5V50.3Low45.6Very low129 Ų129165.7 Ų165.778%0.78279%0.785SS**  trans-114.5105.8169.7-178.80000108.1H7V5-H7 PolarHBondContact O-N 3.03Å
6W37.5Very low45.9Very low223 Ų223162.8 Ų162.885%0.84578%0.775SS**  trans-71115.4172.4-77.671.5000109.4
7H44.4Very low46.4Very low155 Ų155156.1 Ų156.172%0.71875%0.75SS**  trans-89.1102.7157.7-107.9-83.9000108.4V5 F9V5-H7 PolarHBondContact O-N 3.03Å; H7-F9 AromaticContact ND1-CD2 3.47Å; H7-F9 WeakPolarHBondContact ND1-CD2 3.16Å; H7-F9 AromaticContact ND1-CE2 3.72Å; H7-F9 PolarHBondContact O-N 3.05Å
8L46.5Very low46.7Very low143 Ų143153.6 Ų153.675%0.74974%0.74SS**  trans-57.590.6151.8-97.492.4000108
9F43.2Very low47.1Very low164 Ų164155.2 Ų155.272%0.71974%0.738SS**  trans-131.475.1154-94-89.3000106.7H7H7-F9 AromaticContact ND1-CD2 3.47Å; H7-F9 WeakPolarHBondContact ND1-CD2 3.16Å; H7-F9 AromaticContact ND1-CE2 3.72Å; H7-F9 PolarHBondContact O-N 3.05Å
10L42.7Very low47.6Very low131 Ų131150.5 Ų150.569%0.68672%0.722SS**  82.772.695.6-80.6153.6000110W12L10-W12 PolarHBondContact O-N 2.85Å
11W44.2Very low48Very low248 Ų248146.9 Ų146.994%0.93971%0.706SS**  trans-6759.1169.9-169.353.1000112.3
12W40.3Very low48.9Very low205 Ų205143.1 Ų143.178%0.77768%0.683SS**  trans-142.683.1163.4-85.3-20.8000110.1L10 D14L10-W12 PolarHBondContact O-N 2.85Å; W12-D14 PolarHBondContact O-N 3.43Å
13D48.9Very low49.3Very low109 Ų109146.9 Ų146.958%0.58368%0.675SS**  trans-71.184152.7-169.1-5.5000107.7R15 L16D13-R15 PolarHBondContact O-N 2.73Å; D13-R15 PolarHBondContact OD1-N 2.76Å; D13-L16 PolarHBondContact O-N 2.85Å
14D55.4Low50.4Low85 Ų85147.5 Ų147.546%0.45567%0.665SS.*Hα-helixtrans-58-13.2-179.3-84.8-29.7000113.4W12 S17 L18W12-D14 PolarHBondContact O-N 3.43Å; D14-S17 WeakPolarHBondContact CA-OG 3.5Å; D14-S17 PolarHBondContact O-N 3.22Å; D14-S17 PolarHBondContact O-OG 2.88Å; D14-L18 WeakPolarHBondContact O-CB 3.33Å; D14-L18 WeakPolarHBondContact O-CD1 3.27Å; D14-L18 PolarHBondContact O-N 2.81Å
15R53.1Low51.2Low205 Ų205146.8 Ų146.877%0.77466%0.656SS**Hα-helixtrans-75.1-32.1179.4-63.2-176.6175.4-163.9-0.1112.3D13 R19D13-R15 PolarHBondContact O-N 2.73Å; D13-R15 PolarHBondContact OD1-N 2.76Å; R15-R19 PolarHBondContact O-N 2.83Å
16L50.3Low52.1Low119 Ų119144 Ų14462%0.62364%0.642SS**Hα-helixtrans-74.4-34.7170.6-71176.7000111.1D13 L18 R19 S20D13-L16 PolarHBondContact O-N 2.85Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L16-R19 PolarHBondContact O-N 2.8Å; L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 3.15Å; L16-S20 PolarHBondContact O-OG 3.47Å
17S54.2Low53.8Low50 Ų50138.8 Ų138.835%0.3563%0.627SS.*Hα-helixtrans-62.8-39.5172.590.30000111D14 S20 L21D14-S17 WeakPolarHBondContact CA-OG 3.5Å; D14-S17 PolarHBondContact O-N 3.22Å; D14-S17 PolarHBondContact O-OG 2.88Å; S17-S20 WeakPolarHBondContact CA-OG 3.31Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact O-OG 3.34Å; S17-L21 WeakPolarHBondContact O-CA 3.38Å; S17-L21 WeakPolarHBondContact O-CB 3.45Å; S17-L21 PolarHBondContact O-N 3.38Å
18L51.7Low55.2Low110 Ų110135.3 Ų135.358%0.57661%0.614SS**Hα-helixtrans-64-41.1174.4-92.3149.1000113D14 L16 K22D14-L18 WeakPolarHBondContact O-CB 3.33Å; D14-L18 WeakPolarHBondContact O-CD1 3.27Å; D14-L18 PolarHBondContact O-N 2.81Å; L16-L18 VanDerWaalsContact C-N 3.33Å; L18-K22 WeakPolarHBondContact O-CB 3.22Å; L18-K22 PolarHBondContact O-N 2.76Å
19R53.8Low56.6Low184 Ų184134 Ų13469%0.69461%0.607SS**Hα-helixtrans-68.5-38.2175-97.2-173.2179.5-174.91.1112.3R15 L16 R23R15-R19 PolarHBondContact O-N 2.83Å; L16-R19 PolarHBondContact O-N 2.8Å; R19-R23 PolarHBondContact O-N 2.87Å; R19-R23 VanDerWaalsContact O-N 3.08Å
20S57.2Low58.2Low61 Ų61129.4 Ų129.443%0.42760%0.595SS.*Hα-helixtrans-73.6-38.8177.767.40000111.6L16 S17 R23 R24L16-S20 WeakPolarHBondContact O-CB 3.4Å; L16-S20 PolarHBondContact O-N 3.15Å; L16-S20 PolarHBondContact O-OG 3.47Å; S17-S20 WeakPolarHBondContact CA-OG 3.31Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact O-OG 3.34Å; S20-R23 PolarHBondContact O-N 2.94Å; S20-R24 WeakPolarHBondContact O-CB 3.44Å; S20-R24 WeakPolarHBondContact O-CG 3.35Å; S20-R24 PolarHBondContact O-N 3.25Å
21L56Low59.9Low75 Ų75127.2 Ų127.239%0.39358%0.583SS.*Hα-helixtrans-63.4-44.5172.8-168.875000110.6S17 R23 R24 W25S17-L21 WeakPolarHBondContact O-CA 3.38Å; S17-L21 WeakPolarHBondContact O-CB 3.45Å; S17-L21 PolarHBondContact O-N 3.38Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.28Å; L21-R24 WeakPolarHBondContact O-CB 3.31Å; L21-R24 PolarHBondContact O-N 3.18Å; L21-R24 VanDerWaalsContact O-N 3.17Å; L21-W25 HydrophobicContact CD2-CZ2 3.97Å; L21-W25 HydrophobicContact CG-CZ2 4.32Å; L21-W25 WeakPolarHBondContact O-CB 2.98Å; L21-W25 VanDerWaalsContact O-CD1 3.31Å; L21-W25 PolarHBondContact O-N 2.96Å
22K57.4Low61.5Low166 Ų166119.4 Ų119.472%0.72256%0.559SS**Hα-helixtrans-61.2-40.5175-169.3174.3-175.1177.70111.8L18 S26L18-K22 WeakPolarHBondContact O-CB 3.22Å; L18-K22 PolarHBondContact O-N 2.76Å; K22-S26 PolarHBondContact O-N 3.01Å; K22-S26 PolarHBondContact O-OG 3.1Å
23R58.7Low63.3Low186 Ų186112.4 Ų112.470%0.70255%0.545SS*.Hα-helixtrans-66-42.2172.8-83.3-165.4-121166.8-1.3112.4R19 S20 L21 S26 H27R19-R23 PolarHBondContact O-N 2.87Å; R19-R23 VanDerWaalsContact O-N 3.08Å; S20-R23 PolarHBondContact O-N 2.94Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.28Å; R23-S26 WeakPolarHBondContact CA-OG 3.49Å; R23-S26 PolarHBondContact O-N 2.77Å; R23-S26 PolarHBondContact O-OG 3.19Å; R23-H27 PolarHBondContact O-N 2.84Å
24R65.9Low64.7Low177 Ų177112 Ų11267%0.66854%0.542SS*.Hα-helixtrans-59.3-50.8175.4-81.6-175.1169.5-160.8-3110.9S20 L21 S26 H27 D28S20-R24 WeakPolarHBondContact O-CB 3.44Å; S20-R24 WeakPolarHBondContact O-CG 3.35Å; S20-R24 PolarHBondContact O-N 3.25Å; L21-R24 WeakPolarHBondContact O-CB 3.31Å; L21-R24 PolarHBondContact O-N 3.18Å; L21-R24 VanDerWaalsContact O-N 3.17Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 2.95Å; R24-H27 CarbonylContact O-C 3.6Å; R24-H27 WeakPolarHBondContact O-CA 3.48Å; R24-H27 WeakPolarHBondContact O-CB 3.35Å; R24-H27 PolarHBondContact O-N 2.92Å; R24-D28 VanDerWaalsContact O-CG 3.23Å; R24-D28 PolarHBondContact O-N 2.95Å
25W63.7Low65.7Low157 Ų157114.1 Ų114.160%0.59555%0.549SS*.Hα-helixtrans-61-40.8178.5-70.211.7000112.2L21 H27 D28 L29L21-W25 HydrophobicContact CD2-CZ2 3.97Å; L21-W25 HydrophobicContact CG-CZ2 4.32Å; L21-W25 WeakPolarHBondContact O-CB 2.98Å; L21-W25 VanDerWaalsContact O-CD1 3.31Å; L21-W25 PolarHBondContact O-N 2.96Å; W25-H27 VanDerWaalsContact C-N 3.27Å; W25-H27 PolarHBondContact O-N 3.24Å; W25-D28 PolarHBondContact O-N 3.13Å; W25-L29 VanDerWaalsContact O-CB 3.29Å; W25-L29 WeakPolarHBondContact O-CB 3.28Å; W25-L29 WeakPolarHBondContact O-CG 3.35Å; W25-L29 PolarHBondContact O-N 3.41Å
26S69.6Low66.8Low71 Ų71108.7 Ų108.750%0.49753%0.534SS..Hα-helixtrans-64.6-32.7175.159.40000112.8K22 R23 R24 C30K22-S26 PolarHBondContact O-N 3.01Å; K22-S26 PolarHBondContact O-OG 3.1Å; R23-S26 WeakPolarHBondContact CA-OG 3.49Å; R23-S26 PolarHBondContact O-N 2.77Å; R23-S26 PolarHBondContact O-OG 3.19Å; R24-S26 VanDerWaalsContact C-N 3.33Å; R24-S26 PolarHBondContact O-N 2.95Å; S26-C30 VanDerWaalsContact O-CB 3.28Å; S26-C30 WeakPolarHBondContact O-CB 3.32Å; S26-C30 PolarHBondContact O-N 3.04Å; S26-C30 VanDerWaalsContact O-N 3.13Å
27H72.4Confident68Low114 Ų114109.2 Ų109.253%0.52853%0.534SS..Hα-helixtrans-73.5-45.2176.2-165.260.5000111.3R23 R24 W25 L29 C30 L31R23-H27 PolarHBondContact O-N 2.84Å; R24-H27 CarbonylContact O-C 3.6Å; R24-H27 WeakPolarHBondContact O-CA 3.48Å; R24-H27 WeakPolarHBondContact O-CB 3.35Å; R24-H27 PolarHBondContact O-N 2.92Å; W25-H27 VanDerWaalsContact C-N 3.27Å; W25-H27 PolarHBondContact O-N 3.24Å; H27-L29 PolarHBondContact O-N 2.7Å; H27-C30 WeakPolarHBondContact O-CB 3.29Å; H27-C30 PolarHBondContact O-N 2.69Å; H27-C30 VanDerWaalsContact O-N 3.15Å; H27-L31 WeakPolarHBondContact O-CG 3.38Å; H27-L31 PolarHBondContact O-N 2.88Å
28D73.2Confident69Low81 Ų81112 Ų11243%0.43355%0.545SS..Hα-helixtrans-62.4-43.4178-61.3-23.4000111.1R24 W25 C30 L31 I32R24-D28 VanDerWaalsContact O-CG 3.23Å; R24-D28 PolarHBondContact O-N 2.95Å; W25-D28 PolarHBondContact O-N 3.13Å; D28-C30 VanDerWaalsContact C-N 3.32Å; D28-C30 PolarHBondContact O-N 2.85Å; D28-L31 PolarHBondContact O-N 3.32Å; D28-I32 VanDerWaalsContact O-CG1 3.24Å; D28-I32 WeakPolarHBondContact O-CG1 3.24Å; D28-I32 PolarHBondContact O-N 2.73Å
29L76.5Confident69.8Low115 Ų115112.9 Ų112.960%0.60255%0.548SS*.Hα-helixtrans-64.6-35.5174.8-71.1172.4000112.3W25 H27 I32 A33W25-L29 VanDerWaalsContact O-CB 3.29Å; W25-L29 WeakPolarHBondContact O-CB 3.28Å; W25-L29 WeakPolarHBondContact O-CG 3.35Å; W25-L29 PolarHBondContact O-N 3.41Å; H27-L29 PolarHBondContact O-N 2.7Å; L29-I32 PolarHBondContact O-N 2.79Å; L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.2Å; L29-A33 PolarHBondContact O-N 3.43Å
30C77.9Confident70.6Confident69 Ų69108 Ų10847%0.46654%0.535SS..Hα-helixtrans-67-42175-169.40000111.2S26 H27 D28 A33 L34S26-C30 VanDerWaalsContact O-CB 3.28Å; S26-C30 WeakPolarHBondContact O-CB 3.32Å; S26-C30 PolarHBondContact O-N 3.04Å; S26-C30 VanDerWaalsContact O-N 3.13Å; H27-C30 WeakPolarHBondContact O-CB 3.29Å; H27-C30 PolarHBondContact O-N 2.69Å; H27-C30 VanDerWaalsContact O-N 3.15Å; D28-C30 VanDerWaalsContact C-N 3.32Å; D28-C30 PolarHBondContact O-N 2.85Å; C30-A33 PolarHBondContact O-N 2.8Å; C30-L34 WeakPolarHBondContact O-CB 3.05Å; C30-L34 PolarHBondContact O-N 3.24Å
31L77Confident71.1Confident85 Ų85114.1 Ų114.145%0.44555%0.549SS..Hα-helixtrans-64.7-41175-68.8174.7000112.1H27 D28 L34 Q35H27-L31 WeakPolarHBondContact O-CG 3.38Å; H27-L31 PolarHBondContact O-N 2.88Å; D28-L31 PolarHBondContact O-N 3.32Å; L31-L34 PolarHBondContact O-N 3.12Å; L31-Q35 PolarHBondContact O-N 3.45Å
32I78.7Confident71.5Confident83 Ų83113.6 Ų113.643%0.42656%0.555SS.*Hα-helixtrans-64.6-43.3174.6-67.7163.6000110.5D28 L29 L34 Q35 I36D28-I32 VanDerWaalsContact O-CG1 3.24Å; D28-I32 WeakPolarHBondContact O-CG1 3.24Å; D28-I32 PolarHBondContact O-N 2.73Å; L29-I32 PolarHBondContact O-N 2.79Å; I32-L34 PolarHBondContact O-N 3.44Å; I32-Q35 PolarHBondContact O-N 2.89Å; I32-I36 HydrophobicContact CG2-CD1 3.78Å; I32-I36 HydrophobicContact CG2-CG1 4.4Å; I32-I36 VanDerWaalsContact O-CG1 3.29Å; I32-I36 WeakPolarHBondContact O-CG1 3.47Å; I32-I36 PolarHBondContact O-N 3.41Å
33A77.8Confident71.7Confident58 Ų58110.1 Ų110.148%0.47955%0.552SS.*Hα-helixtrans-62.2-43177.200000111.7L29 C30 I36 E37L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.2Å; L29-A33 PolarHBondContact O-N 3.43Å; C30-A33 PolarHBondContact O-N 2.8Å; A33-I36 PolarHBondContact O-N 2.79Å; A33-E37 WeakPolarHBondContact O-CB 3.47Å; A33-E37 PolarHBondContact O-N 2.86Å
34L78.1Confident71.7Confident101 Ų101109.4 Ų109.453%0.52955%0.554SS.*Hα-helixtrans-61.1-42.2172.7-97.7145.5000112.2C30 L31 I32 E37 D38C30-L34 WeakPolarHBondContact O-CB 3.05Å; C30-L34 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 3.12Å; I32-L34 PolarHBondContact O-N 3.44Å; L34-E37 PolarHBondContact O-N 3.4Å; L34-D38 WeakPolarHBondContact O-CB 3.42Å; L34-D38 PolarHBondContact O-N 3.49Å
35Q76Confident70.9Confident130 Ų130104.4 Ų104.461%0.60755%0.547SS*.Hα-helixtrans-63.6-42175.1-83.1-175.1-24.800112.2L31 I32 D38 M39L31-Q35 PolarHBondContact O-N 3.45Å; I32-Q35 PolarHBondContact O-N 2.89Å; Q35-D38 PolarHBondContact O-N 3.5Å; Q35-M39 WeakPolarHBondContact O-CB 3.28Å; Q35-M39 VanDerWaalsContact O-CG 3.22Å; Q35-M39 WeakPolarHBondContact O-CG 3.42Å; Q35-M39 PolarHBondContact O-N 2.84Å
36I76.5Confident70.3Confident90 Ų90101.6 Ų101.646%0.46255%0.551SS.*Hα-helixtrans-65.8-41.4177-66.8165.9000110.3I32 A33 M39 N40I32-I36 HydrophobicContact CG2-CD1 3.78Å; I32-I36 HydrophobicContact CG2-CG1 4.4Å; I32-I36 VanDerWaalsContact O-CG1 3.29Å; I32-I36 WeakPolarHBondContact O-CG1 3.47Å; I32-I36 PolarHBondContact O-N 3.41Å; A33-I36 PolarHBondContact O-N 2.79Å; I36-M39 PolarHBondContact O-N 3.21Å; I36-N40 VanDerWaalsContact O-CB 3.28Å; I36-N40 WeakPolarHBondContact O-CB 3.29Å; I36-N40 PolarHBondContact O-N 3.23Å; I36-N40 PolarHBondContact O-ND2 2.88Å
37E75.1Confident69.6Low131 Ų131103.9 Ų103.961%0.61256%0.564SS**Hα-helixtrans-63.6-42175.5-168.9177.3177.500111.7A33 L34 N40 R41A33-E37 WeakPolarHBondContact O-CB 3.47Å; A33-E37 PolarHBondContact O-N 2.86Å; L34-E37 PolarHBondContact O-N 3.4Å; E37-N40 PolarHBondContact O-N 2.9Å; E37-R41 VanDerWaalsContact O-CB 3.28Å; E37-R41 WeakPolarHBondContact O-CB 3.42Å; E37-R41 PolarHBondContact O-N 2.99Å
38D75.1Confident68.3Low109 Ų109102.9 Ų102.958%0.58358%0.575SS**Hα-helixtrans-67.4-42.6177-164.143.1000112L34 Q35 N40 R41 A42L34-D38 WeakPolarHBondContact O-CB 3.42Å; L34-D38 PolarHBondContact O-N 3.49Å; Q35-D38 PolarHBondContact O-N 3.5Å; D38-N40 PolarHBondContact O-N 3.49Å; D38-R41 PolarHBondContact O-N 2.93Å; D38-A42 WeakPolarHBondContact O-CB 3.4Å; D38-A42 PolarHBondContact O-N 2.85Å
39M69.8Low67.1Low128 Ų128104.8 Ų104.863%0.63160%0.595SS**Hα-helixtrans-61.5-43.4172.7-7517768.500111.9Q35 I36 R41 A42 S43Q35-M39 WeakPolarHBondContact O-CB 3.28Å; Q35-M39 VanDerWaalsContact O-CG 3.22Å; Q35-M39 WeakPolarHBondContact O-CG 3.42Å; Q35-M39 PolarHBondContact O-N 2.84Å; I36-M39 PolarHBondContact O-N 3.21Å; M39-R41 VanDerWaalsContact C-N 3.35Å; M39-A42 PolarHBondContact O-N 2.89Å; M39-S43 WeakPolarHBondContact O-CB 3.28Å; M39-S43 PolarHBondContact O-N 3.32Å; M39-S43 PolarHBondContact O-OG 3.38Å
40N69.9Low65.7Low80 Ų80103.6 Ų103.643%0.42860%0.602SS.*Hα-helixtrans-63.3-44.6175.2-75.9-24.9000110.1I36 E37 D38 A42 S43 F44I36-N40 VanDerWaalsContact O-CB 3.28Å; I36-N40 WeakPolarHBondContact O-CB 3.29Å; I36-N40 PolarHBondContact O-N 3.23Å; I36-N40 PolarHBondContact O-ND2 2.88Å; E37-N40 PolarHBondContact O-N 2.9Å; D38-N40 PolarHBondContact O-N 3.49Å; N40-A42 VanDerWaalsContact C-N 3.34Å; N40-A42 PolarHBondContact O-N 2.88Å; N40-S43 CarbonylContact O-C 3.55Å; N40-S43 WeakPolarHBondContact O-CB 3.29Å; N40-S43 PolarHBondContact O-N 3.5Å; N40-S43 VanDerWaalsContact O-N 3.12Å; N40-F44 HydrophobicContact CB-CD2 4.19Å; N40-F44 HydrophobicContact CB-CE2 4.19Å; N40-F44 WeakPolarHBondContact O-CB 3.4Å; N40-F44 WeakPolarHBondContact O-CD2 3.47Å; N40-F44 WeakPolarHBondContact O-CG 3.42Å; N40-F44 PolarHBondContact O-N 3.38Å
41R67.6Low63.9Low191 Ų191109.4 Ų109.472%0.72162%0.622SS**Hα-helixtrans-64.5-37.4178.2-167.1176.4-179.1-162.1-0.3112.3E37 D38 M39 S43 F44 S45E37-R41 VanDerWaalsContact O-CB 3.28Å; E37-R41 WeakPolarHBondContact O-CB 3.42Å; E37-R41 PolarHBondContact O-N 2.99Å; D38-R41 PolarHBondContact O-N 2.93Å; M39-R41 VanDerWaalsContact C-N 3.35Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-F44 CarbonylContact O-C 3.58Å; R41-F44 PolarHBondContact O-N 2.87Å; R41-S45 WeakPolarHBondContact O-CB 3.49Å; R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.43Å
42A65.8Low62.2Low64 Ų64114.5 Ų114.553%0.52964%0.644SS.*Hα-helixtrans-67.3-34.4172.200000112.1D38 M39 N40 S45D38-A42 WeakPolarHBondContact O-CB 3.4Å; D38-A42 PolarHBondContact O-N 2.85Å; M39-A42 PolarHBondContact O-N 2.89Å; N40-A42 VanDerWaalsContact C-N 3.34Å; N40-A42 PolarHBondContact O-N 2.88Å; A42-S45 WeakPolarHBondContact CA-OG 3.37Å; A42-S45 PolarHBondContact O-OG 2.87Å
43S61.4Low60.3Low93 Ų93121.4 Ų121.465%0.6566%0.664SS**Hα-helixtrans-74.1-31.8176.2-550000112.4M39 N40 R41M39-S43 WeakPolarHBondContact O-CB 3.28Å; M39-S43 PolarHBondContact O-N 3.32Å; M39-S43 PolarHBondContact O-OG 3.38Å; N40-S43 CarbonylContact O-C 3.55Å; N40-S43 WeakPolarHBondContact O-CB 3.29Å; N40-S43 PolarHBondContact O-N 3.5Å; N40-S43 VanDerWaalsContact O-N 3.12Å; R41-S43 VanDerWaalsContact C-N 3.33Å
44F58.2Low58.7Low170 Ų170123 Ų12375%0.74668%0.677SS**Hα-helixtrans-94.2-12.6177.9-69.3-62.6000113.8N40 R41 S46N40-F44 HydrophobicContact CB-CD2 4.19Å; N40-F44 HydrophobicContact CB-CE2 4.19Å; N40-F44 WeakPolarHBondContact O-CB 3.4Å; N40-F44 WeakPolarHBondContact O-CD2 3.47Å; N40-F44 WeakPolarHBondContact O-CG 3.42Å; N40-F44 PolarHBondContact O-N 3.38Å; R41-F44 CarbonylContact O-C 3.58Å; R41-F44 PolarHBondContact O-N 2.87Å; F44-S46 PolarHBondContact O-N 3.34Å
45S47.8Very low56.8Low73 Ų73124.3 Ų124.351%0.5169%0.69SS.*SBendtrans-67.295.916359.50000106.2R41 A42R41-S45 WeakPolarHBondContact O-CB 3.49Å; R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.43Å; A42-S45 WeakPolarHBondContact CA-OG 3.37Å; A42-S45 PolarHBondContact O-OG 2.87Å
46S52.9Low55.1Low98 Ų98123.8 Ų123.869%0.68570%0.697SS**  trans-38.6128.2169.1179.80000107.8F44 A48F44-S46 PolarHBondContact O-N 3.34Å; S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.9Å
47P53.3Low53.4Low119 Ų119125.4 Ų125.477%0.77372%0.717SS**  trans-58.997.9-179.123.8-32.5000107.6S49P47-S49 VanDerWaalsContact C-N 3.34Å; P47-S49 PolarHBondContact O-N 3.28Å
48A45.3Very low51.9Low92 Ų92123 Ų12376%0.7672%0.719SS**  trans-64109.9159.900000103.4S46 A50S46-A48 VanDerWaalsContact C-N 3.28Å; S46-A48 PolarHBondContact O-N 2.9Å; A48-A50 PolarHBondContact O-N 3.15Å
49S48.4Very low50.4Low121 Ų121123.3 Ų123.385%0.84673%0.73SS**  trans-38.8106.9-17859.20000111.4P47P47-S49 VanDerWaalsContact C-N 3.34Å; P47-S49 PolarHBondContact O-N 3.28Å
50A46.2Very low49.4Very low91 Ų91123.3 Ų123.375%0.75274%0.737SS**  trans-134.187.7167.200000106.8A48A48-A50 PolarHBondContact O-N 3.15Å
51E40.3Very low48.3Very low190 Ų190121.1 Ų121.189%0.88873%0.734SS**  trans8.2122.6153.1-149165.5-178.200117.1R53E51-R53 PolarHBondContact O-N 3.13Å
52E42.3Very low47.8Very low192 Ų192116.9 Ų116.990%0.89773%0.729SS**  trans-45.991.6175.9-167.6175.6-157.200112.7A54E52-A54 PolarHBondContact O-N 2.88Å
53R38.8Very low47.1Very low229 Ų229122.3 Ų122.386%0.86474%0.736SS**  trans-82.798.2163.7-148.3-178.6-156.9174.46.4107.7E51 T55E51-R53 PolarHBondContact O-N 3.13Å; R53-T55 PolarHBondContact O-N 3.44Å
54A43.3Very low47Very low90 Ų90120.6 Ų120.674%0.74472%0.724SS**  trans-53.894.9171.600000110.8E52E52-A54 PolarHBondContact O-N 2.88Å
55T39.6Very low47.1Very low129 Ų129115.9 Ų115.979%0.79171%0.709SS**  trans-86.5118.615934.50000107.9R53R53-T55 PolarHBondContact O-N 3.44Å
56P38.8Very low47.7Very low119 Ų119116.6 Ų116.677%0.77371%0.706SS**  trans-77.8143.4-178.730.6-31.2000111.1
57S41.1Very low47.6Very low125 Ų125119.5 Ų119.587%0.87471%0.706SS**  trans72.277.8156.7-147.90000117.8
58A43.1Very low47.8Very low80 Ų80118.8 Ų118.866%0.66170%0.696SS**SBendtrans-146.9131.5134.800000106.8T60A58-T60 PolarHBondContact O-N 3.42Å; A58-T60 PolarHBondContact O-OG1 3.4Å
59S44.4Very low49Very low116 Ų116122.4 Ų122.481%0.81170%0.703SS**  trans-4795.4-179.353.70000111.1G61S59-G61 PolarHBondContact O-N 3.47Å
60T48.8Very low50Low127 Ų127126.2 Ų126.278%0.77970%0.704SS**  trans-9083.9178.7-56.70000106.1A58 V62A58-T60 PolarHBondContact O-N 3.42Å; A58-T60 PolarHBondContact O-OG1 3.4Å; T60-V62 PolarHBondContact O-N 2.83Å
61G46.1Very low50.9Low34 Ų34129.4 Ų129.435%0.35170%0.701SS.*PPolyproline II helixtrans-65.8124.2168.900000108.6S59 W63 D77S59-G61 PolarHBondContact O-N 3.47Å; G61-W63 PolarHBondContact O-N 2.99Å; G61-D77 WeakPolarHBondContact CA-O 3.49Å
62V57.2Low52.1Low103 Ų103127.8 Ų127.862%0.62469%0.691SS**PPolyproline II helixtrans-76.8118.1171.71800000107.1T60T60-V62 PolarHBondContact O-N 2.83Å
63W52Low53.3Low178 Ų178124.6 Ų124.667%0.67468%0.676SS**EExtended strand (participates in β ladder)trans-102.3121.9173.7-17531.9000109.4G61 V65 S74G61-W63 PolarHBondContact O-N 2.99Å; W63-V65 HydrophobicContact CD2-CG2 3.93Å; W63-V65 HydrophobicContact CG-CG2 4.45Å; W63-V65 HydrophobicContact CH2-CG2 4.05Å; W63-V65 HydrophobicContact CZ2-CG2 3.32Å; W63-S74 PolarHBondContact NE1-OG 3.42Å; W63-S74 VanDerWaalsContact NE1-OG 3.13Å
64S60Low54.7Low57 Ų57116.8 Ų116.840%0.39966%0.657SS.*EExtended strand (participates in β ladder)trans-118.4133.1167.661.50000109.4S74 T75S64-S74 WeakPolarHBondContact O-CA 3.5Å; S64-T75 PolarHBondContact N-O 3.3Å; S64-T75 PolarHBondContact O-N 3.08Å; S64-T75 VanDerWaalsContact O-N 3.15Å
65V59Low56.2Low71 Ų71115.8 Ų115.843%0.4364%0.642SS.*EExtended strand (participates in β ladder)trans-113.3111.6177.3-177.90000107.6W63W63-V65 HydrophobicContact CD2-CG2 3.93Å; W63-V65 HydrophobicContact CG-CG2 4.45Å; W63-V65 HydrophobicContact CH2-CG2 4.05Å; W63-V65 HydrophobicContact CZ2-CG2 3.32Å
66I61.2Low57.9Low88 Ų88113.9 Ų113.945%0.45163%0.626SS.*EExtended strand (participates in β ladder)trans-90.7117168.2-57.3175.9000106.7Q73I66-Q73 PolarHBondContact N-O 3Å; I66-Q73 PolarHBondContact O-N 3.01Å
67K50.9Low59.6Low159 Ų159113.9 Ų113.969%0.69162%0.619SS**EExtended strand (participates in β ladder)trans-99.292178.5-173.1-177.9-179-173.30108.8F72K67-F72 HydrophobicContact CD-CE1 4.45Å; K67-F72 HydrophobicContact CG-CD1 4.46Å; K67-F72 HydrophobicContact CG-CE1 3.92Å
68D57.5Low61Low104 Ų104110.8 Ų110.856%0.55660%0.595SS**EExtended strand (participates in β ladder)trans-93.3144.3160.9-76.6-22.9000108.6K70 K71D68-K70 PolarHBondContact O-N 3.38Å; D68-K71 PolarHBondContact N-O 2.8Å; D68-K71 CarbonylContact O-C 3.46Å; D68-K71 PolarHBondContact O-N 3.34Å; D68-K71 VanDerWaalsContact O-O 3.06Å
69D71Confident62.5Low168 Ų168113.5 Ų113.590%0.89860%0.604SS**THydrogen-bonded Turntrans-53.4-14.6-172.6-69.5-32.2000115.4
70K69.6Low63.7Low200 Ų200111.1 Ų111.187%0.8758%0.581SS**THydrogen-bonded Turntrans-125.5-4.7179.2-64.5-175.6-180179.70114.7D68D68-K70 PolarHBondContact O-N 3.38Å
71K63.9Low64.8Low158 Ų158113.7 Ų113.769%0.68759%0.585SS**EExtended strand (participates in β ladder)trans-147.4122.1-174-65.3-173.8-179.9-1790110.2D68D68-K71 PolarHBondContact N-O 2.8Å; D68-K71 CarbonylContact O-C 3.46Å; D68-K71 PolarHBondContact O-N 3.34Å; D68-K71 VanDerWaalsContact O-O 3.06Å
72F65.7Low65.9Low157 Ų157116 Ų11669%0.68960%0.6SS**EExtended strand (participates in β ladder)trans-93.3110.7165.2-64-84000107.4K67K67-F72 HydrophobicContact CD-CE1 4.45Å; K67-F72 HydrophobicContact CG-CD1 4.46Å; K67-F72 HydrophobicContact CG-CE1 3.92Å
73Q68.2Low66.6Low124 Ų124113 Ų11358%0.57959%0.59SS**EExtended strand (participates in β ladder)trans-101.6117.6168.1-172.6172.4-1.300107.6I66I66-Q73 PolarHBondContact N-O 3Å; I66-Q73 PolarHBondContact O-N 3.01Å
74S67.2Low67.8Low66 Ų66109.2 Ų109.246%0.46259%0.587SS.*EExtended strand (participates in β ladder)trans-110.3121.5171.1-740000108.4W63 S64W63-S74 PolarHBondContact NE1-OG 3.42Å; W63-S74 VanDerWaalsContact NE1-OG 3.13Å; S64-S74 WeakPolarHBondContact O-CA 3.5Å
75T74.7Confident68.7Low69 Ų69110 Ų11042%0.42359%0.586SS.*EExtended strand (participates in β ladder)trans-99.4126.7172.1-54.70000107.6S64S64-T75 PolarHBondContact N-O 3.3Å; S64-T75 PolarHBondContact O-N 3.08Å; S64-T75 VanDerWaalsContact O-N 3.15Å
76L74.9Confident69.8Low88 Ų88110.3 Ų110.346%0.46158%0.583SS.*EExtended strand (participates in β ladder)trans-120.2114172.6-178.173.1000107.6V78 I96L76-V78 HydrophobicContact CD1-CG2 4.34Å; L76-V78 HydrophobicContact CD2-CG2 3.57Å; L76-V78 HydrophobicContact CG-CG2 3.56Å; L76-I96 HydrophobicContact CD2-CD1 3.54Å
77D74.8Confident70.9Confident119 Ų119111 Ų11164%0.63659%0.586SS**  trans-94.3120.7173.9-153.7-7000109G61G61-D77 WeakPolarHBondContact CA-O 3.49Å
78V71.2Confident72.6Confident60 Ų60105.8 Ų105.836%0.36457%0.568SS.*  trans-131.5116.9-177.1-168.80000109.9L76 L80L76-V78 HydrophobicContact CD1-CG2 4.34Å; L76-V78 HydrophobicContact CD2-CG2 3.57Å; L76-V78 HydrophobicContact CG-CG2 3.56Å; V78-L80 HydrophobicContact CG1-CD2 3.62Å; V78-L80 HydrophobicContact CG1-CG 3.96Å
79T73.8Confident73.9Confident137 Ų137106.3 Ų106.384%0.8458%0.575SS**  trans-86.2110170-38.90000109.1
80L70.6Confident74.7Confident66 Ų66104.5 Ų104.535%0.34656%0.559SS.*  trans-100134.1176.3-63176.2000110.7V78 A82 L85 V98V78-L80 HydrophobicContact CG1-CD2 3.62Å; V78-L80 HydrophobicContact CG1-CG 3.96Å; L80-A82 PolarHBondContact O-N 3.2Å; L80-L85 HydrophobicContact CD1-CB 4.04Å; L80-L85 HydrophobicContact CD1-CD1 3.53Å; L80-L85 HydrophobicContact CD1-CG 4.39Å; L80-V98 HydrophobicContact CD1-CB 4.49Å; L80-V98 HydrophobicContact CD1-CG1 3.94Å; L80-V98 HydrophobicContact CD1-CG2 3.74Å; L80-V98 HydrophobicContact CD2-CG1 4.17Å; L80-V98 HydrophobicContact CD2-CG2 3.89Å; L80-V98 HydrophobicContact CG-CG2 4.5Å
81Q70.7Confident75.6Confident182 Ų182100.9 Ų100.985%0.8555%0.55SS*.SBendtrans-75.5105.8164.9-73.2-171.9-0.700108H100Q81-H100 PolarHBondContact O-ND1 3.17Å
82A69.1Low76.4Confident81 Ų81102 Ų10267%0.66956%0.563SS**SBendtrans33.599.5172.900000115.4L80 H100L80-A82 PolarHBondContact O-N 3.2Å; A82-H100 PolarHBondContact O-CE1 2.77Å; A82-H100 PolarHBondContact O-ND1 2.81Å
83G72.4Confident77.2Confident40 Ų40103.6 Ų103.641%0.41256%0.564SS.*  trans-170.9165.5174.300000111.5K99G83-K99 CarbonylContact C-O 3.57Å; G83-K99 WeakPolarHBondContact CA-O 3.18Å
84T76.8Confident77.9Confident99 Ų99103.1 Ų103.161%0.60757%0.565SS**EExtended strand (participates in β ladder)trans-88.1124.1170.6-55.50000108.5K99T84-K99 PolarHBondContact N-O 2.85Å; T84-K99 PolarHBondContact O-N 2.72Å
85L79.9Confident78.7Confident73 Ų73102.7 Ų102.738%0.38256%0.557SS.*EExtended strand (participates in β ladder)trans-94.1125.9173.9-179.7132.4000109.3L80 I87 I96 H97 V98L80-L85 HydrophobicContact CD1-CB 4.04Å; L80-L85 HydrophobicContact CD1-CD1 3.53Å; L80-L85 HydrophobicContact CD1-CG 4.39Å; L85-I87 HydrophobicContact CD2-CD1 3.6Å; L85-I87 HydrophobicContact CD2-CG1 3.33Å; L85-I87 HydrophobicContact CG-CG1 4.36Å; L85-I96 HydrophobicContact CD1-CG2 3.53Å; L85-I96 HydrophobicContact CG-CG2 3.98Å; L85-H97 WeakPolarHBondContact CA-O 3.47Å; L85-V98 HydrophobicContact CD1-CG2 4.34Å
86E80.7Confident79Confident78 Ų78102.7 Ų102.736%0.36455%0.554SS.*EExtended strand (participates in β ladder)trans-114.9118.7176.6178.7175.6-176.700108.4T88 H97 K99E86-T88 HydrophobicContact CG-CG2 4.16Å; E86-H97 HydrophobicContact CB-CB 4.2Å; E86-H97 PolarHBondContact N-O 3.34Å; E86-H97 PolarHBondContact O-N 2.94Å; E86-K99 VanDerWaalsContact OE2-CE 3.31Å; E86-K99 WeakPolarHBondContact OE2-CE 3.46Å; E86-K99 IonicContact OE2-NZ 2.76Å; E86-K99 PolarHBondContact OE2-NZ 3.32Å
87I84.8Confident79.3Confident102 Ų102103 Ų10352%0.52355%0.553SS.*EExtended strand (participates in β ladder)trans-104.5124.9177.3-53.1178.3000107.7L85 L94L85-I87 HydrophobicContact CD2-CD1 3.6Å; L85-I87 HydrophobicContact CD2-CG1 3.33Å; L85-I87 HydrophobicContact CG-CG1 4.36Å; I87-L94 HydrophobicContact CG2-CD1 3.48Å; I87-L94 VanDerWaalsContact CG2-CD1 3.48Å; I87-L94 HydrophobicContact CG2-CG 4.24Å
88T86.9Confident79.5Confident50 Ų50100.8 Ų100.831%0.30754%0.544SS..EExtended strand (participates in β ladder)trans-128.2155.1173.361.60000110.3E86 I95E86-T88 HydrophobicContact CG-CG2 4.16Å; T88-I95 PolarHBondContact N-O 3.25Å; T88-I95 PolarHBondContact O-N 3.2Å
89T85.2Confident79.8Confident115 Ų115103.6 Ų103.671%0.70655%0.551SS**EExtended strand (participates in β ladder)trans-120.5126.2174.9540000109.1R93 L94T89-R93 WeakPolarHBondContact CA-O 3.5Å; T89-L94 HydrophobicContact CG2-CD1 3.76Å
90K87.6Confident79.9Confident131 Ų131101.9 Ų101.957%0.5753%0.533SS*.EExtended strand (participates in β ladder)trans-145.5136177.9-169.8-174173.3-176.30110.2D92 R93 I95K90-D92 VanDerWaalsContact C-N 3.3Å; K90-D92 PolarHBondContact O-N 2.87Å; K90-R93 PolarHBondContact N-O 3.22Å; K90-R93 WeakPolarHBondContact O-CA 3.44Å; K90-R93 VanDerWaalsContact O-CB 3.31Å; K90-R93 WeakPolarHBondContact O-CB 3.47Å; K90-R93 PolarHBondContact O-N 2.98Å; K90-I95 HydrophobicContact CB-CD1 4.1Å
91D88.3Confident79.7Confident124 Ų124106.5 Ų106.566%0.66355%0.553SS**THydrogen-bonded Turntrans50.846.9175.9-51.6-38000112.9R93D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 VanDerWaalsContact O-N 3.1Å
92D81.2Confident79.6Confident182 Ų182105.6 Ų105.697%0.97355%0.549SS*.THydrogen-bonded Turntrans59.216.2-175.2-55.9-38.2000115.3K90K90-D92 VanDerWaalsContact C-N 3.3Å; K90-D92 PolarHBondContact O-N 2.87Å
93R82.9Confident79.4Confident189 Ų189109.2 Ų109.271%0.71356%0.557SS**EExtended strand (participates in β ladder)trans-109.2136.2175.7-59.9174.8-179.3-163.9-1.6110.7T89 K90 D91T89-R93 WeakPolarHBondContact CA-O 3.5Å; K90-R93 PolarHBondContact N-O 3.22Å; K90-R93 WeakPolarHBondContact O-CA 3.44Å; K90-R93 VanDerWaalsContact O-CB 3.31Å; K90-R93 WeakPolarHBondContact O-CB 3.47Å; K90-R93 PolarHBondContact O-N 2.98Å; D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 VanDerWaalsContact O-N 3.1Å
94L81.9Confident78.4Confident114 Ų114120.3 Ų120.360%0.59759%0.594SS**EExtended strand (participates in β ladder)trans-84124.1166.3-170.571.7000108.5I87 T89 I96I87-L94 HydrophobicContact CG2-CD1 3.48Å; I87-L94 VanDerWaalsContact CG2-CD1 3.48Å; I87-L94 HydrophobicContact CG2-CG 4.24Å; T89-L94 HydrophobicContact CG2-CD1 3.76Å; L94-I96 HydrophobicContact CD2-CD1 4.45Å; L94-I96 HydrophobicContact CG-CG1 4.49Å
95I83.7Confident78.5Confident58 Ų58121.4 Ų121.430%0.29759%0.593SS.*EExtended strand (participates in β ladder)trans-117.4122.1179.8-53.3173.8000107.9T88 K90 H97T88-I95 PolarHBondContact N-O 3.25Å; T88-I95 PolarHBondContact O-N 3.2Å; K90-I95 HydrophobicContact CB-CD1 4.1Å; I95-H97 VanDerWaalsContact CG2-NE2 3.27Å; I95-H97 WeakPolarHBondContact CG2-NE2 3.43Å
96I82.8Confident78.4Confident69 Ų69123.9 Ų123.935%0.35460%0.604SS.*EExtended strand (participates in β ladder)trans-109.8114.2179.5-55.5172.9000107.7L76 L85 L94L76-I96 HydrophobicContact CD2-CD1 3.54Å; L85-I96 HydrophobicContact CD1-CG2 3.53Å; L85-I96 HydrophobicContact CG-CG2 3.98Å; L94-I96 HydrophobicContact CD2-CD1 4.45Å; L94-I96 HydrophobicContact CG-CG1 4.49Å
97H80.2Confident78.3Confident94 Ų94126.5 Ų126.544%0.43562%0.618SS.*EExtended strand (participates in β ladder)trans-101.2134.1172.7-68.7-81.5000109.6L85 E86 I95L85-H97 WeakPolarHBondContact CA-O 3.47Å; E86-H97 HydrophobicContact CB-CB 4.2Å; E86-H97 PolarHBondContact N-O 3.34Å; E86-H97 PolarHBondContact O-N 2.94Å; I95-H97 VanDerWaalsContact CG2-NE2 3.27Å; I95-H97 WeakPolarHBondContact CG2-NE2 3.43Å
98V78.5Confident77.9Confident73 Ų73127.9 Ų127.944%0.44262%0.623SS.*EExtended strand (participates in β ladder)trans-113.1114.6172.8-179.70000107.7L80 L85L80-V98 HydrophobicContact CD1-CB 4.49Å; L80-V98 HydrophobicContact CD1-CG1 3.94Å; L80-V98 HydrophobicContact CD1-CG2 3.74Å; L80-V98 HydrophobicContact CD2-CG1 4.17Å; L80-V98 HydrophobicContact CD2-CG2 3.89Å; L80-V98 HydrophobicContact CG-CG2 4.5Å; L85-V98 HydrophobicContact CD1-CG2 4.34Å
99K77.6Confident77.4Confident119 Ų119132.8 Ų132.852%0.51764%0.643SS.*EExtended strand (participates in β ladder)trans-93.6106.5170.5-67.3179.8-171.7158.90107.8G83 T84 E86G83-K99 CarbonylContact C-O 3.57Å; G83-K99 WeakPolarHBondContact CA-O 3.18Å; T84-K99 PolarHBondContact N-O 2.85Å; T84-K99 PolarHBondContact O-N 2.72Å; E86-K99 VanDerWaalsContact OE2-CE 3.31Å; E86-K99 WeakPolarHBondContact OE2-CE 3.46Å; E86-K99 IonicContact OE2-NZ 2.76Å; E86-K99 PolarHBondContact OE2-NZ 3.32Å
100H75.3Confident76.8Confident101 Ų101134 Ų13447%0.46864%0.639SS.*  trans-92.7116.7171-174.665.1000108.2Q81 A82 E102Q81-H100 PolarHBondContact O-ND1 3.17Å; A82-H100 PolarHBondContact O-CE1 2.77Å; A82-H100 PolarHBondContact O-ND1 2.81Å; H100-E102 PolarHBondContact O-N 3.42Å
101E68.4Low76.1Confident162 Ų162134.2 Ų134.276%0.75764%0.644SS**  trans-85104.7166.7-77-171.9159.800107.6N103E101-N103 PolarHBondContact O-N 3Å
102E68.6Low75.1Confident164 Ų164135 Ų13577%0.76664%0.642SS**  trans-67.6100.6166.5-70.4-175.716700107.9H100 K104H100-E102 PolarHBondContact O-N 3.42Å; E102-K104 PolarHBondContact O-N 2.98Å
103N63.3Low74.6Confident157 Ų157131.1 Ų131.184%0.8461%0.614SS**  trans-66.6106.3163.9-84.7-31.5000107.6E101E101-N103 PolarHBondContact O-N 3Å
104K52.5Low73.9Confident273 Ų273125.8 Ų125.8100%1.18761%0.606SS**  trans-71.90176.8-158.7-178.4-173.3-177.70112.1E102E102-K104 PolarHBondContact O-N 2.98Å

Retrieved 104 of 104 residues in 48.3 ms (Link to these results)