A0A075B7I6_PIG Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A075B7I6, Species PIG (Sus scrofa, Pig), Gene n/a, Length 95 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
1S54.4Low86Confident85 Ų85100.6 Ų100.659%0.59457%0.571SS**  0152.30-169.90000109.4E3 D25S1-E3 WeakPolarHBondContact OG-CB 3.03Å; S1-E3 WeakPolarHBondContact OG-CG 3.47Å; S1-E3 PolarHBondContact OG-N 3.28Å; S1-D25 WeakPolarHBondContact CB-OD2 3.48Å; S1-D25 PolarHBondContact N-OD2 3.2Å
2Y66.7Low86.8Confident167 Ų16797.9 Ų97.966%0.65556%0.558SS**  trans-84.5-0.8169.3-67.3-74.3000112.5L26Y2-L26 HydrophobicContact CD1-CD1 3.56Å; Y2-L26 HydrophobicContact CE1-CD1 3.4Å; Y2-L26 VanDerWaalsContact CE1-CD1 3.4Å; Y2-L26 HydrophobicContact CG-CD1 4.33Å
3E83.5Confident87.6Confident141 Ų14194.8 Ų94.866%0.65955%0.552SS**  trans-64.8132177.4-63.2-61151.600110.7S1S1-E3 WeakPolarHBondContact OG-CB 3.03Å; S1-E3 WeakPolarHBondContact OG-CG 3.47Å; S1-E3 PolarHBondContact OG-N 3.28Å
4L91.1Very high88.3Confident49 Ų4997.1 Ų97.126%0.25756%0.56SS.*EExtended strand (participates in β ladder)trans-110.2139.3173.4-61.1179.1000108.5S23 L27L4-S23 CarbonylContact C-O 3.56Å; L4-S23 WeakPolarHBondContact CA-O 3.18Å; L4-L27 HydrophobicContact CD2-CD1 4.04Å; L4-L27 HydrophobicContact CD2-CD2 3.77Å; L4-L27 HydrophobicContact CD2-CG 3.84Å
5T94.3Very high88.8Confident100 Ų10094.1 Ų94.161%0.61356%0.558SS**EExtended strand (participates in β ladder)trans-113.6127.4178.8-54.70000109.3C22 S23T5-C22 WeakPolarHBondContact O-CA 3.36Å; T5-S23 PolarHBondContact N-O 3.38Å; T5-S23 PolarHBondContact O-N 2.96Å
6Q95.4Very high89.4Confident54 Ų5494.3 Ų94.325%0.25256%0.555SS.*  trans-124.4153.2172.6-70.5-173.6-110.600109.8C22 Y85 C87Q6-C22 HydrophobicContact CG-CB 4Å; Q6-Y85 PolarHBondContact NE2-O 3.2Å; Q6-C87 VanDerWaalsContact CD-SG 3.51Å; Q6-C87 PolarHBondContact OE1-SG 2.76Å
7P93.4Very high89.9Confident44 Ų4493 Ų9329%0.28655%0.549SS..  trans-60.6142.8167.427-32.4000109.7S9 E10 T21P7-S9 VanDerWaalsContact C-N 3.28Å; P7-S9 PolarHBondContact O-N 3.19Å; P7-E10 HydrophobicContact CB-CG 4.31Å; P7-E10 HydrophobicContact CG-CG 4.03Å; P7-T21 VanDerWaalsContact CD-O 3.22Å; P7-T21 WeakPolarHBondContact CD-O 3.31Å
8S91.3Very high90.3Very high126 Ų12688.6 Ų88.688%0.88153%0.525SS*.SBendtrans-68-28.8-177.3570000113.3
9S92Very high90.7Very high94 Ų9491.1 Ų91.166%0.65753%0.528SS*.  trans-165.1144.6-178.7580000109.7P7P7-S9 VanDerWaalsContact C-N 3.28Å; P7-S9 PolarHBondContact O-N 3.19Å
10E90.5Very high91Very high130 Ų13087.4 Ų87.461%0.60751%0.506SS*.  trans-131.4141.6174-74.8-71.9169.700108.4P7P7-E10 HydrophobicContact CB-CG 4.31Å; P7-E10 HydrophobicContact CG-CG 4.03Å
11S94Very high91.3Very high117 Ų11785.9 Ų85.982%0.81850%0.498SS*.  trans-120.4131.2176.864.70000109.9
12V95.5Very high93.3Very high68 Ų6881.8 Ų81.841%0.41247%0.47SS..  trans-135.2143.5-179.467.30000109.4N16 A18 A77V12-N16 HydrophobicContact CG2-CB 3.72Å; V12-A18 HydrophobicContact CB-CB 4.25Å; V12-A18 HydrophobicContact CG1-CB 3.93Å; V12-A18 HydrophobicContact CG2-CB 4.32Å; V12-A77 HydrophobicContact CG1-CB 3.8Å
13A97.2Very high94.6Very high58 Ų5876 Ų7648%0.47945%0.454SS..  trans-72148.4172.600000110.7G15 N16A13-G15 PolarHBondContact O-N 3.48Å; A13-N16 WeakPolarHBondContact O-CB 3.08Å; A13-N16 PolarHBondContact O-N 2.7Å
14L96.8Very high95Very high127 Ų12769.8 Ų69.867%0.66543%0.427SS*.THydrogen-bonded Turntrans-55.8136.7173.4-63.5178.5000110.6N16 A77 A79L14-N16 PolarHBondContact O-N 3.3Å; L14-A77 CarbonylContact C-O 3.57Å; L14-A77 WeakPolarHBondContact CA-O 3.39Å; L14-A79 HydrophobicContact CD2-CB 4.3Å
15G96.6Very high94.9Very high52 Ų5271.3 Ų71.354%0.53644%0.436SS..THydrogen-bonded Turntrans81.5-12.2-176.400000114.9A13 G76 A77A13-G15 PolarHBondContact O-N 3.48Å; G15-G76 WeakPolarHBondContact O-CA 3.22Å; G15-A77 PolarHBondContact N-O 3.22Å
16N97.9Very high94.5Very high96 Ų9668.6 Ų68.651%0.51342%0.418SS..SBendtrans-84.4173175.7-73.61.4000111.9V12 A13 L14 G76 A77V12-N16 HydrophobicContact CG2-CB 3.72Å; A13-N16 WeakPolarHBondContact O-CB 3.08Å; A13-N16 PolarHBondContact O-N 2.7Å; L14-N16 PolarHBondContact O-N 3.3Å; N16-G76 PolarHBondContact O-N 3.47Å; N16-A77 WeakPolarHBondContact O-CB 3.37Å; N16-A77 PolarHBondContact O-N 2.93Å
17T97.9Very high94.1Very high73 Ų7366.3 Ų66.345%0.44841%0.407SS..PPolyproline II helixtrans-92.5121.6177.4-60.10000110.5K19 T73 I74 T75T17-K19 HydrophobicContact CG2-CG 4.44Å; T17-T73 HydrophobicContact CG2-CG2 3.52Å; T17-I74 CarbonylContact C-O 3.52Å; T17-I74 VanDerWaalsContact CA-O 3.29Å; T17-I74 WeakPolarHBondContact CA-O 3.34Å; T17-T75 HydrophobicContact CG2-CG2 4.17Å
18A97.1Very high93.8Very high14 Ų1468.1 Ų68.112%0.11641%0.414CS..EExtended strand (participates in β ladder)trans-88143.6169.200000109.9V12 T73 I74V12-A18 HydrophobicContact CB-CB 4.25Å; V12-A18 HydrophobicContact CG1-CB 3.93Å; V12-A18 HydrophobicContact CG2-CB 4.32Å; A18-T73 WeakPolarHBondContact O-CA 3.38Å; A18-I74 HydrophobicContact CB-CB 4.06Å; A18-I74 HydrophobicContact CB-CD1 4.42Å; A18-I74 HydrophobicContact CB-CG1 4.44Å; A18-I74 PolarHBondContact N-O 2.71Å; A18-I74 PolarHBondContact O-N 2.76Å
19K97.1Very high93.7Very high136 Ų13668.5 Ų68.559%0.59140%0.402SS*.EExtended strand (participates in β ladder)trans-131.3119.7170.8-67.3-172.2-177.1-176.40109.2T17 T71 L72T17-K19 HydrophobicContact CG2-CG 4.44Å; K19-T71 HydrophobicContact CB-CG2 4.13Å; K19-T71 HydrophobicContact CG-CG2 4.44Å; K19-L72 CarbonylContact C-O 3.54Å; K19-L72 WeakPolarHBondContact CA-O 3.46Å
20I97.3Very high93.6Very high16 Ų1665.6 Ų65.68%0.08238%0.378CS..EExtended strand (participates in β ladder)trans-112.1122.3179-51.5178.5000106.9W34 T71 L72 I74 Y85I20-W34 HydrophobicContact CB-CH2 4.33Å; I20-W34 HydrophobicContact CB-CZ3 4.23Å; I20-W34 HydrophobicContact CG2-CH2 4.03Å; I20-W34 HydrophobicContact CG2-CZ3 3.77Å; I20-W34 VanDerWaalsContact O-CH2 3.26Å; I20-W34 WeakPolarHBondContact O-CH2 3.23Å; I20-T71 CarbonylContact O-C 3.6Å; I20-T71 VanDerWaalsContact O-CA 3.3Å; I20-T71 WeakPolarHBondContact O-CA 3.41Å; I20-L72 HydrophobicContact CB-CB 4.36Å; I20-L72 HydrophobicContact CD1-CD2 4.37Å; I20-L72 PolarHBondContact N-O 3.32Å; I20-L72 PolarHBondContact O-N 2.81Å; I20-I74 HydrophobicContact CD1-CD1 4.47Å; I20-Y85 HydrophobicContact CD1-CD1 3.96Å; I20-Y85 HydrophobicContact CD1-CD2 3.48Å; I20-Y85 VanDerWaalsContact CD1-CD2 3.48Å; I20-Y85 HydrophobicContact CD1-CE1 4.47Å; I20-Y85 HydrophobicContact CD1-CE2 4.07Å; I20-Y85 HydrophobicContact CD1-CG 3.41Å; I20-Y85 VanDerWaalsContact CD1-CG 3.41Å
21T97.1Very high93.6Very high56 Ų5663.5 Ų63.534%0.34437%0.365SS..EExtended strand (participates in β ladder)trans-101.8150.6-177.655.80000111.2P7 A70 T71P7-T21 VanDerWaalsContact CD-O 3.22Å; P7-T21 WeakPolarHBondContact CD-O 3.31Å; T21-A70 CarbonylContact C-O 3.57Å; T21-A70 WeakPolarHBondContact CA-O 3.27Å; T21-T71 HydrophobicContact CG2-CG2 4.46Å
22C96Very high93.6Very high0 Ų057.9 Ų57.90%033%0.326CS..EExtended strand (participates in β ladder)trans-137.8122172.7172.90000108.1T5 Q6 L27 W34 T69 A70 C87T5-C22 WeakPolarHBondContact O-CA 3.36Å; Q6-C22 HydrophobicContact CG-CB 4Å; C22-L27 WeakPolarHBondContact O-CD1 3.07Å; C22-W34 HydrophobicContact CB-CH2 3.6Å; C22-W34 HydrophobicContact CB-CZ2 3.79Å; C22-W34 HydrophobicContact CB-CZ3 4.49Å; C22-T69 CarbonylContact O-C 3.52Å; C22-T69 WeakPolarHBondContact O-CA 3.32Å; C22-A70 PolarHBondContact N-O 3.26Å; C22-A70 PolarHBondContact O-N 3.2Å; C22-C87 HydrophobicContact CB-CB 3.38Å; C22-C87 WeakPolarHBondContact CB-SG 3.29Å; C22-C87 WeakPolarHBondContact SG-CB 3.37Å; C22-C87 CovalentContact SG-SG 2.02Å; C22-C87 PolarHBondContact SG-SG 3.22Å
23S95.3Very high93.7Very high45 Ų4559.3 Ų59.332%0.31532%0.324SS..EExtended strand (participates in β ladder)trans-117.6142.8-179.5-64.10000110.9L4 T5 K68 T69L4-S23 CarbonylContact C-O 3.56Å; L4-S23 WeakPolarHBondContact CA-O 3.18Å; T5-S23 PolarHBondContact N-O 3.38Å; T5-S23 PolarHBondContact O-N 2.96Å; S23-K68 VanDerWaalsContact CA-O 3.29Å; S23-K68 WeakPolarHBondContact CA-O 3.36Å; S23-T69 PolarHBondContact OG-OG1 2.96Å
24G91.8Very high93.7Very high10 Ų1056.5 Ų56.510%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-167.8149.117900000112.4L26 L27 K68G24-L26 PolarHBondContact O-N 2.87Å; G24-L27 PolarHBondContact O-N 2.8Å; G24-K68 PolarHBondContact N-O 3.42Å; G24-K68 WeakPolarHBondContact O-CB 3.4Å
25D87.8Confident93.8Very high81 Ų8152.4 Ų52.443%0.43328%0.277SS..THydrogen-bonded Turntrans-61.5-23-170.5-70.7-31.9000115S1 K68S1-D25 WeakPolarHBondContact CB-OD2 3.48Å; S1-D25 PolarHBondContact N-OD2 3.2Å; D25-K68 WeakPolarHBondContact O-CE 3.31Å; D25-K68 PolarHBondContact O-NZ 2.84Å
26L86Confident93.8Very high44 Ų4450.7 Ų50.723%0.2325%0.254CS..THydrogen-bonded Turntrans-115.48.3-173.5-61.3175.5000112.8Y2 G24 D28 E29 K30Y2-L26 HydrophobicContact CD1-CD1 3.56Å; Y2-L26 HydrophobicContact CE1-CD1 3.4Å; Y2-L26 VanDerWaalsContact CE1-CD1 3.4Å; Y2-L26 HydrophobicContact CG-CD1 4.33Å; G24-L26 PolarHBondContact O-N 2.87Å; L26-D28 PolarHBondContact O-N 3.36Å; L26-E29 PolarHBondContact O-N 2.8Å; L26-K30 HydrophobicContact CB-CD 4.46Å; L26-K30 WeakPolarHBondContact O-CB 3.37Å; L26-K30 WeakPolarHBondContact O-CG 3.31Å; L26-K30 PolarHBondContact O-N 3.16Å
27L87.7Confident93.8Very high6 Ų648.9 Ų48.93%0.03124%0.243CC..THydrogen-bonded Turntrans-70.4-15.3179.2-72.6-173.3000113.1L4 C22 G24 E29 K30 A70L4-L27 HydrophobicContact CD2-CD1 4.04Å; L4-L27 HydrophobicContact CD2-CD2 3.77Å; L4-L27 HydrophobicContact CD2-CG 3.84Å; C22-L27 WeakPolarHBondContact O-CD1 3.07Å; G24-L27 PolarHBondContact O-N 2.8Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-K30 VanDerWaalsContact O-O 3.1Å; L27-A70 HydrophobicContact CD1-CB 4.43Å
28D87.9Confident93.8Very high81 Ų8148 Ų4843%0.43323%0.233SC..THydrogen-bonded Turntrans-78.8-16.8171.952.2-16.8000113.4L26 K68L26-D28 PolarHBondContact O-N 3.36Å; D28-K68 HydrophobicContact CB-CG 4.21Å; D28-K68 WeakPolarHBondContact OD2-CE 3.39Å
29E88.4Confident93.7Very high135 Ų13553 Ų5363%0.63127%0.265SS*.THydrogen-bonded Turntrans-109.9-4.7179.9-62.4179.3-175.100112.9L26 L27 S92L26-E29 PolarHBondContact O-N 2.8Å; L27-E29 VanDerWaalsContact C-N 3.34Å; E29-S92 PolarHBondContact O-OG 2.78Å
30K89.6Confident93.6Very high33 Ų3351 Ų5114%0.14328%0.282CS..EExtended strand (participates in β ladder)trans-130.5160.7-172.4-68.6-167.7-178-142.90111.7L26 L27 A90 D91L26-K30 HydrophobicContact CB-CD 4.46Å; L26-K30 WeakPolarHBondContact O-CB 3.37Å; L26-K30 WeakPolarHBondContact O-CG 3.31Å; L26-K30 PolarHBondContact O-N 3.16Å; L27-K30 VanDerWaalsContact O-O 3.1Å; K30-A90 WeakPolarHBondContact CB-O 3.06Å; K30-D91 WeakPolarHBondContact CE-OD1 3.18Å; K30-D91 IonicContact NZ-OD1 2.71Å; K30-D91 PolarHBondContact NZ-OD1 3.14Å
31Y91.4Very high93.5Very high85 Ų8555.8 Ų55.833%0.33330%0.304SS..EExtended strand (participates in β ladder)trans-82.3149.5168-69.7-52.3000111.3K49 D50 S89 A90Y31-K49 HydrophobicContact CD1-CB 4.08Å; Y31-K49 HydrophobicContact CD1-CG 4.32Å; Y31-K49 HydrophobicContact CD2-CG 3.99Å; Y31-K49 HydrophobicContact CE1-CB 4.3Å; Y31-K49 HydrophobicContact CE1-CG 4.47Å; Y31-K49 HydrophobicContact CE2-CG 4.14Å; Y31-K49 HydrophobicContact CG-CB 4.27Å; Y31-K49 HydrophobicContact CG-CG 4.09Å; Y31-D50 WeakPolarHBondContact CD1-OD2 3.26Å; Y31-S89 CarbonylContact O-C 3.54Å; Y31-S89 WeakPolarHBondContact O-CA 3.46Å; Y31-A90 PolarHBondContact N-O 2.84Å; Y31-A90 PolarHBondContact O-N 3.47Å
32T94.1Very high93.5Very high0 Ų056.9 Ų56.90%032%0.319CS..EExtended strand (participates in β ladder)trans-101.9139170.4-49.50000110.2K49 D50 A70 C87 Q88T32-K49 PolarHBondContact O-N 2.8Å; T32-D50 WeakPolarHBondContact CB-OD1 3Å; T32-D50 PolarHBondContact N-OD1 2.93Å; T32-D50 PolarHBondContact O-N 2.87Å; T32-D50 VanDerWaalsContact O-N 3.12Å; T32-D50 PolarHBondContact OG1-OD1 2.95Å; T32-A70 HydrophobicContact CG2-CB 3.64Å; T32-A70 WeakPolarHBondContact OG1-CB 3.36Å; T32-C87 HydrophobicContact CG2-CB 4.16Å; T32-Q88 WeakPolarHBondContact CA-O 3.48Å
33R96.3Very high93.6Very high97 Ų9760.3 Ų60.337%0.36634%0.341SS..EExtended strand (participates in β ladder)trans-115.4143.6166.4-61179.4-178.8-175-1.7109.4Y35 L45 I47 C87 Q88 A90R33-Y35 HydrophobicContact CB-CE2 3.69Å; R33-Y35 VanDerWaalsContact CD-OH 3.31Å; R33-Y35 WeakPolarHBondContact CD-OH 3.07Å; R33-L45 HydrophobicContact CB-CD1 4.07Å; R33-L45 HydrophobicContact CG-CD1 4.47Å; R33-I47 CarbonylContact C-O 3.05Å; R33-I47 VanDerWaalsContact CA-O 3.25Å; R33-I47 WeakPolarHBondContact CA-O 3.33Å; R33-C87 CarbonylContact O-C 3.59Å; R33-C87 VanDerWaalsContact O-CA 3.28Å; R33-C87 WeakPolarHBondContact O-CA 3.45Å; R33-Q88 HydrophobicContact CB-CB 4.43Å; R33-Q88 PolarHBondContact N-O 3.01Å; R33-Q88 PolarHBondContact O-N 3.06Å; R33-A90 HydrophobicContact CG-CB 4.44Å
34W97.9Very high93.7Very high0 Ų062.4 Ų62.40%035%0.348CS..EExtended strand (participates in β ladder)trans-117.6133.9176.5-72.298.7000110.3I20 C22 L46 I47 A70 L72 Y86 C87I20-W34 HydrophobicContact CB-CH2 4.33Å; I20-W34 HydrophobicContact CB-CZ3 4.23Å; I20-W34 HydrophobicContact CG2-CH2 4.03Å; I20-W34 HydrophobicContact CG2-CZ3 3.77Å; I20-W34 VanDerWaalsContact O-CH2 3.26Å; I20-W34 WeakPolarHBondContact O-CH2 3.23Å; C22-W34 HydrophobicContact CB-CH2 3.6Å; C22-W34 HydrophobicContact CB-CZ2 3.79Å; C22-W34 HydrophobicContact CB-CZ3 4.49Å; W34-L46 HydrophobicContact CB-CB 4.45Å; W34-L46 PolarHBondContact O-N 2.58Å; W34-I47 HydrophobicContact CB-CB 4.09Å; W34-I47 HydrophobicContact CB-CG1 4.46Å; W34-I47 HydrophobicContact CG-CB 4.43Å; W34-I47 PolarHBondContact N-O 3.33Å; W34-I47 PolarHBondContact O-N 2.71Å; W34-A70 HydrophobicContact CZ2-CB 4.17Å; W34-L72 HydrophobicContact CB-CD1 4.17Å; W34-L72 HydrophobicContact CB-CD2 4.35Å; W34-L72 HydrophobicContact CD2-CB 3.55Å; W34-L72 HydrophobicContact CD2-CD2 4.28Å; W34-L72 HydrophobicContact CD2-CG 4.35Å; W34-L72 HydrophobicContact CE3-CB 3.77Å; W34-L72 HydrophobicContact CE3-CD2 4.03Å; W34-L72 HydrophobicContact CE3-CG 4.49Å; W34-L72 HydrophobicContact CG-CB 3.98Å; W34-L72 HydrophobicContact CG-CD1 4.14Å; W34-L72 HydrophobicContact CG-CD2 4.44Å; W34-L72 HydrophobicContact CG-CG 4.42Å; W34-L72 HydrophobicContact CH2-CB 4.15Å; W34-L72 HydrophobicContact CZ2-CB 3.98Å; W34-L72 HydrophobicContact CZ3-CB 4.05Å; W34-Y86 WeakPolarHBondContact CA-O 3.33Å; W34-C87 HydrophobicContact CD2-CB 4.34Å; W34-C87 HydrophobicContact CE3-CB 4.1Å; W34-C87 HydrophobicContact CH2-CB 4.07Å; W34-C87 HydrophobicContact CZ2-CB 4.29Å; W34-C87 HydrophobicContact CZ3-CB 3.97Å
35Y98Very high94Very high41 Ų4164.5 Ų64.516%0.16136%0.357CS..EExtended strand (participates in β ladder)trans-123.9144.8178.2-56.9-93.1000110.6R33 P43 L44 L45 Y85 Y86 Q88R33-Y35 HydrophobicContact CB-CE2 3.69Å; R33-Y35 VanDerWaalsContact CD-OH 3.31Å; R33-Y35 WeakPolarHBondContact CD-OH 3.07Å; Y35-P43 HydrophobicContact CD1-CB 4.27Å; Y35-P43 HydrophobicContact CG-CB 4.47Å; Y35-L44 CarbonylContact C-O 3.51Å; Y35-L44 WeakPolarHBondContact CA-O 3.4Å; Y35-L45 HydrophobicContact CD1-CB 4.1Å; Y35-L45 HydrophobicContact CD1-CD1 4.05Å; Y35-L45 HydrophobicContact CE1-CB 3.99Å; Y35-L45 HydrophobicContact CE1-CD1 3.58Å; Y35-L45 HydrophobicContact CE1-CG 4.37Å; Y35-L45 HydrophobicContact CE2-CD1 4.46Å; Y35-Y85 WeakPolarHBondContact O-CA 3Å; Y35-Y86 PolarHBondContact N-O 3.27Å; Y35-Y86 PolarHBondContact O-N 3.35Å; Y35-Q88 HydrophobicContact CE2-CB 3.85Å; Y35-Q88 PolarHBondContact OH-OE1 2.95Å
36Q98.2Very high94.5Very high15 Ų1560.7 Ų60.77%0.0734%0.337CS..EExtended strand (participates in β ladder)trans-106.9131.3167.2-175.8-175.264.400108.7L44 L46 A83 Y85Q36-L44 PolarHBondContact N-O 3.37Å; Q36-L44 PolarHBondContact O-N 3.42Å; Q36-L46 HydrophobicContact CB-CD1 3.71Å; Q36-L46 HydrophobicContact CB-CD2 4.1Å; Q36-L46 HydrophobicContact CB-CG 3.89Å; Q36-A83 HydrophobicContact CG-CB 3.45Å; Q36-A83 VanDerWaalsContact CG-CB 3.45Å; Q36-Y85 HydrophobicContact CB-CD1 4.29Å; Q36-Y85 HydrophobicContact CB-CE1 4Å; Q36-Y85 HydrophobicContact CG-CD1 4.47Å; Q36-Y85 HydrophobicContact CG-CE1 3.9Å; Q36-Y85 PolarHBondContact NE2-OH 2.91Å
37Q97.9Very high95.1Very high59 Ų5958.7 Ų58.728%0.27633%0.326SS..EExtended strand (participates in β ladder)trans-123.3115.7173-170.9171.617.900110.1Q41 P43 A83 D84 Y86Q37-Q41 WeakPolarHBondContact CG-O 3.47Å; Q37-Q41 PolarHBondContact NE2-O 3.2Å; Q37-P43 HydrophobicContact CG-CG 4.43Å; Q37-A83 WeakPolarHBondContact O-CB 3.32Å; Q37-D84 HydrophobicContact CB-CB 4.46Å; Q37-D84 PolarHBondContact N-O 2.92Å; Q37-D84 PolarHBondContact O-N 3.32Å; Q37-Y86 HydrophobicContact CB-CD2 4.33Å; Q37-Y86 HydrophobicContact CB-CE2 3.81Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.3Å
38K96.6Very high95.4Very high54 Ų5461.9 Ų61.924%0.23534%0.338CS..  trans-88.7154.1171.3-65.2-176.5178.3-173.10110.2G40 Q41 E80 A83K38-G40 PolarHBondContact O-N 3.08Å; K38-Q41 HydrophobicContact CB-CB 4.28Å; K38-Q41 HydrophobicContact CB-CG 4.22Å; K38-Q41 PolarHBondContact O-N 2.85Å; K38-E80 WeakPolarHBondContact CE-O 3.48Å; K38-E80 PolarHBondContact NZ-O 3.08Å; K38-A83 HydrophobicContact CG-CB 4.06Å
39P95.8Very high95.7Very high120 Ų12062.3 Ų62.378%0.77934%0.336SS*.THydrogen-bonded Turntrans-51.4124.7176.6-28.135.3000112.2Q41P39-Q41 VanDerWaalsContact C-N 3.28Å; P39-Q41 PolarHBondContact O-N 3.44Å
40G95.3Very high96Very high93 Ų9357.1 Ų57.196%0.95931%0.313SS*.THydrogen-bonded Turntrans75.46.8179.700000115.7K38K38-G40 PolarHBondContact O-N 3.08Å
41Q95.6Very high96.3Very high116 Ų11659.1 Ų59.154%0.54233%0.331SS..SBendtrans-111.3153.9177.8-60.9-173.1-2.200111.9Q37 K38 P39Q37-Q41 WeakPolarHBondContact CG-O 3.47Å; Q37-Q41 PolarHBondContact NE2-O 3.2Å; K38-Q41 HydrophobicContact CB-CB 4.28Å; K38-Q41 HydrophobicContact CB-CG 4.22Å; K38-Q41 PolarHBondContact O-N 2.85Å; P39-Q41 VanDerWaalsContact C-N 3.28Å; P39-Q41 PolarHBondContact O-N 3.44Å
42A95.9Very high96.6Very high80 Ų8058.7 Ų58.766%0.66133%0.332SS*.PPolyproline II helixtrans-70150.5169.800000110.3L44A42-L44 PolarHBondContact O-N 2.82Å
43P97.3Very high96.7Very high71 Ų7162.8 Ų62.846%0.46135%0.347SS..PPolyproline II helixtrans-57125.9175.7-25.334.5000112.3Y35 Q37Y35-P43 HydrophobicContact CD1-CB 4.27Å; Y35-P43 HydrophobicContact CG-CB 4.47Å; Q37-P43 HydrophobicContact CG-CG 4.43Å
44L97.8Very high96.8Very high89 Ų8959.7 Ų59.747%0.46634%0.34SS..EExtended strand (participates in β ladder)trans-95.2126.7175.3178.365.2000109.8Y35 Q36 A42 L46 I57Y35-L44 CarbonylContact C-O 3.51Å; Y35-L44 WeakPolarHBondContact CA-O 3.4Å; Q36-L44 PolarHBondContact N-O 3.37Å; Q36-L44 PolarHBondContact O-N 3.42Å; A42-L44 PolarHBondContact O-N 2.82Å; L44-L46 HydrophobicContact CD2-CD2 4.46Å; L44-L46 PolarHBondContact O-N 3.36Å; L44-I57 HydrophobicContact CD1-CD1 4.44Å; L44-I57 HydrophobicContact CD2-CD1 4.03Å; L44-I57 HydrophobicContact CG-CD1 4.24Å
45L98Very high96.7Very high54 Ų5465.7 Ų65.728%0.28338%0.382SS..EExtended strand (participates in β ladder)trans-71.3119.1175.5-179.568.4000110.6R33 Y35 I47 P54R33-L45 HydrophobicContact CB-CD1 4.07Å; R33-L45 HydrophobicContact CG-CD1 4.47Å; Y35-L45 HydrophobicContact CD1-CB 4.1Å; Y35-L45 HydrophobicContact CD1-CD1 4.05Å; Y35-L45 HydrophobicContact CE1-CB 3.99Å; Y35-L45 HydrophobicContact CE1-CD1 3.58Å; Y35-L45 HydrophobicContact CE1-CG 4.37Å; Y35-L45 HydrophobicContact CE2-CD1 4.46Å; L45-I47 WeakPolarHBondContact CD1-O 3.43Å; L45-P54 HydrophobicContact CD2-CG 4Å; L45-P54 HydrophobicContact CG-CG 4.07Å
46L98.2Very high96.7Very high2 Ų267.6 Ų67.61%0.0141%0.414CS..EExtended strand (participates in β ladder)trans-95.9-46.9177.6-65.5-176.8000112.7W34 Q36 L44 P54 I57 F61 L72 Y85W34-L46 HydrophobicContact CB-CB 4.45Å; W34-L46 PolarHBondContact O-N 2.58Å; Q36-L46 HydrophobicContact CB-CD1 3.71Å; Q36-L46 HydrophobicContact CB-CD2 4.1Å; Q36-L46 HydrophobicContact CB-CG 3.89Å; L44-L46 HydrophobicContact CD2-CD2 4.46Å; L44-L46 PolarHBondContact O-N 3.36Å; L46-P54 WeakPolarHBondContact O-CD 3.4Å; L46-I57 HydrophobicContact CD2-CD1 4.19Å; L46-I57 HydrophobicContact CD2-CG2 4.01Å; L46-F61 HydrophobicContact CD1-CD1 3.67Å; L46-F61 HydrophobicContact CD1-CE1 3.68Å; L46-F61 HydrophobicContact CD2-CD1 4.38Å; L46-F61 HydrophobicContact CD2-CE1 4.37Å; L46-L72 HydrophobicContact CD1-CD2 3.93Å; L46-Y85 HydrophobicContact CD1-CD1 4.01Å; L46-Y85 HydrophobicContact CD1-CE1 3.7Å
47I98.3Very high96.6Very high1 Ų168 Ų681%0.00542%0.417CS..EExtended strand (participates in β ladder)trans-138.6141.8-177.4-53.9-68.3000109R33 W34 L45 E52 R53 L72R33-I47 CarbonylContact C-O 3.05Å; R33-I47 VanDerWaalsContact CA-O 3.25Å; R33-I47 WeakPolarHBondContact CA-O 3.33Å; W34-I47 HydrophobicContact CB-CB 4.09Å; W34-I47 HydrophobicContact CB-CG1 4.46Å; W34-I47 HydrophobicContact CG-CB 4.43Å; W34-I47 PolarHBondContact N-O 3.33Å; W34-I47 PolarHBondContact O-N 2.71Å; L45-I47 WeakPolarHBondContact CD1-O 3.43Å; I47-E52 CarbonylContact C-O 3.59Å; I47-E52 WeakPolarHBondContact CA-O 3.41Å; I47-E52 WeakPolarHBondContact CG2-O 3.46Å; I47-R53 HydrophobicContact CD1-CB 3.92Å; I47-R53 HydrophobicContact CD1-CG 4.18Å; I47-L72 HydrophobicContact CG1-CD1 3.73Å
48Y95.8Very high96.6Very high73 Ų7367.7 Ų67.729%0.28642%0.419SS..BIsolated β-bridgetrans-133.2164.7172.168.7-75000110.3D50 S51 E52 P54Y48-D50 PolarHBondContact O-N 2.67Å; Y48-D50 VanDerWaalsContact O-N 3.15Å; Y48-S51 PolarHBondContact O-N 3Å; Y48-E52 HydrophobicContact CD1-CB 3.89Å; Y48-E52 WeakPolarHBondContact CD1-O 3.42Å; Y48-E52 HydrophobicContact CD2-CB 4.06Å; Y48-E52 HydrophobicContact CE1-CB 3.53Å; Y48-E52 WeakPolarHBondContact CE1-O 3.42Å; Y48-E52 HydrophobicContact CE2-CB 3.74Å; Y48-E52 HydrophobicContact CE2-CG 4.37Å; Y48-E52 WeakPolarHBondContact CE2-OE2 3.45Å; Y48-E52 HydrophobicContact CG-CB 4.14Å; Y48-E52 VanDerWaalsContact CZ-CB 3.45Å; Y48-E52 PolarHBondContact N-O 2.8Å; Y48-E52 WeakPolarHBondContact O-CA 3.29Å; Y48-E52 WeakPolarHBondContact O-CB 3.36Å; Y48-E52 PolarHBondContact O-N 2.87Å; Y48-E52 PolarHBondContact OH-OE2 2.9Å; Y48-P54 HydrophobicContact CD1-CG 3.91Å; Y48-P54 HydrophobicContact CE1-CG 4.05Å
49K94.2Very high96.6Very high91 Ų9173.2 Ų73.240%0.39645%0.446SS..THydrogen-bonded Turntrans46.647.6-178.1-70.3175.5177.4-179.50112Y31 T32 S51 E52Y31-K49 HydrophobicContact CD1-CB 4.08Å; Y31-K49 HydrophobicContact CD1-CG 4.32Å; Y31-K49 HydrophobicContact CD2-CG 3.99Å; Y31-K49 HydrophobicContact CE1-CB 4.3Å; Y31-K49 HydrophobicContact CE1-CG 4.47Å; Y31-K49 HydrophobicContact CE2-CG 4.14Å; Y31-K49 HydrophobicContact CG-CB 4.27Å; Y31-K49 HydrophobicContact CG-CG 4.09Å; T32-K49 PolarHBondContact O-N 2.8Å; K49-S51 PolarHBondContact O-N 3.02Å; K49-E52 HydrophobicContact CB-CB 4.46Å; K49-E52 HydrophobicContact CB-CG 4.15Å; K49-E52 WeakPolarHBondContact CD-OE1 3.28Å; K49-E52 IonicContact NZ-OE1 3.41Å
50D94.1Very high96.7Very high25 Ų2569.2 Ų69.213%0.13442%0.415CS..THydrogen-bonded Turntrans66-34.7-179.1-55.6-37.9000117.3Y31 T32 Y48 G63 S64 S65Y31-D50 WeakPolarHBondContact CD1-OD2 3.26Å; T32-D50 WeakPolarHBondContact CB-OD1 3Å; T32-D50 PolarHBondContact N-OD1 2.93Å; T32-D50 PolarHBondContact O-N 2.87Å; T32-D50 VanDerWaalsContact O-N 3.12Å; T32-D50 PolarHBondContact OG1-OD1 2.95Å; Y48-D50 PolarHBondContact O-N 2.67Å; Y48-D50 VanDerWaalsContact O-N 3.15Å; D50-G63 CarbonylContact O-C 3.53Å; D50-G63 VanDerWaalsContact O-CA 3.31Å; D50-G63 WeakPolarHBondContact O-CA 3.25Å; D50-S64 PolarHBondContact O-N 3.3Å; D50-S65 WeakPolarHBondContact CB-OG 3.37Å; D50-S65 VanDerWaalsContact CG-OG 3.26Å; D50-S65 PolarHBondContact OD2-OG 3.33Å
51S96.1Very high96.9Very high75 Ų7564.9 Ų64.952%0.52437%0.37SS..THydrogen-bonded Turntrans-146.6-11.2-170.461.60000114.5Y48 K49 G63Y48-S51 PolarHBondContact O-N 3Å; K49-S51 PolarHBondContact O-N 3.02Å; S51-G63 WeakPolarHBondContact CB-O 3.1Å
52E96.8Very high97Very high76 Ų7661.7 Ų61.736%0.35536%0.361SS..BIsolated β-bridgetrans-74.6130179.5-62.3-176.7-147.300110.1I47 Y48 K49I47-E52 CarbonylContact C-O 3.59Å; I47-E52 WeakPolarHBondContact CA-O 3.41Å; I47-E52 WeakPolarHBondContact CG2-O 3.46Å; Y48-E52 HydrophobicContact CD1-CB 3.89Å; Y48-E52 WeakPolarHBondContact CD1-O 3.42Å; Y48-E52 HydrophobicContact CD2-CB 4.06Å; Y48-E52 HydrophobicContact CE1-CB 3.53Å; Y48-E52 WeakPolarHBondContact CE1-O 3.42Å; Y48-E52 HydrophobicContact CE2-CB 3.74Å; Y48-E52 HydrophobicContact CE2-CG 4.37Å; Y48-E52 WeakPolarHBondContact CE2-OE2 3.45Å; Y48-E52 HydrophobicContact CG-CB 4.14Å; Y48-E52 VanDerWaalsContact CZ-CB 3.45Å; Y48-E52 PolarHBondContact N-O 2.8Å; Y48-E52 WeakPolarHBondContact O-CA 3.29Å; Y48-E52 WeakPolarHBondContact O-CB 3.36Å; Y48-E52 PolarHBondContact O-N 2.87Å; Y48-E52 PolarHBondContact OH-OE2 2.9Å; K49-E52 HydrophobicContact CB-CB 4.46Å; K49-E52 HydrophobicContact CB-CG 4.15Å; K49-E52 WeakPolarHBondContact CD-OE1 3.28Å; K49-E52 IonicContact NZ-OE1 3.41Å
53R97.6Very high97.1Very high86 Ų8658.4 Ų58.433%0.32534%0.335SS..  trans-108.1126.5-178-17817061.3-144.1-0.1109.9I47 I57 E59 F61I47-R53 HydrophobicContact CD1-CB 3.92Å; I47-R53 HydrophobicContact CD1-CG 4.18Å; R53-I57 HydrophobicContact CG-CB 3.63Å; R53-I57 HydrophobicContact CG-CG1 4.44Å; R53-I57 HydrophobicContact CG-CG2 3.82Å; R53-E59 VanDerWaalsContact CZ-CA 3.47Å; R53-E59 VanDerWaalsContact NH1-C 3.32Å; R53-E59 VanDerWaalsContact NH1-CA 3.33Å; R53-E59 PolarHBondContact NH1-O 2.89Å; R53-F61 WeakPolarHBondContact CD-O 3.35Å; R53-F61 PolarHBondContact NH1-O 2.86Å
54P97.6Very high97Very high33 Ų3357.9 Ų57.921%0.21433%0.333CS..  trans-60.4153.7175.2-22.134.1000112.3L45 L46 Y48 G56 I57L45-P54 HydrophobicContact CD2-CG 4Å; L45-P54 HydrophobicContact CG-CG 4.07Å; L46-P54 WeakPolarHBondContact O-CD 3.4Å; Y48-P54 HydrophobicContact CD1-CG 3.91Å; Y48-P54 HydrophobicContact CE1-CG 4.05Å; P54-G56 PolarHBondContact O-N 2.87Å; P54-I57 HydrophobicContact CB-CG1 4.16Å; P54-I57 HydrophobicContact CG-CG1 4.37Å; P54-I57 PolarHBondContact O-N 3.21Å
55S96.8Very high96.8Very high126 Ų12656.2 Ų56.288%0.88133%0.328SS*.THydrogen-bonded Turntrans-60.3136.8173.358.20000111.1
56G96.1Very high96.5Very high81 Ų8158.4 Ų58.484%0.83535%0.348SS*.THydrogen-bonded Turntrans90.9-8.7-179.700000114.5P54P54-G56 PolarHBondContact O-N 2.87Å
57I97.8Very high96.2Very high24 Ų2460.8 Ų60.812%0.12337%0.373CS..SBendtrans-82.2130.5169.7-55.4-55.3000109.4L44 L46 R53 P54 F61L44-I57 HydrophobicContact CD1-CD1 4.44Å; L44-I57 HydrophobicContact CD2-CD1 4.03Å; L44-I57 HydrophobicContact CG-CD1 4.24Å; L46-I57 HydrophobicContact CD2-CD1 4.19Å; L46-I57 HydrophobicContact CD2-CG2 4.01Å; R53-I57 HydrophobicContact CG-CB 3.63Å; R53-I57 HydrophobicContact CG-CG1 4.44Å; R53-I57 HydrophobicContact CG-CG2 3.82Å; P54-I57 HydrophobicContact CB-CG1 4.16Å; P54-I57 HydrophobicContact CG-CG1 4.37Å; P54-I57 PolarHBondContact O-N 3.21Å; I57-F61 HydrophobicContact CG2-CB 4.07Å; I57-F61 HydrophobicContact CG2-CD2 3.95Å; I57-F61 HydrophobicContact CG2-CG 4.19Å
58P97.5Very high96Very high51 Ų5165.2 Ų65.233%0.33139%0.392SS..  trans-57.2150.5-177.5-28.736.5000114.6R60 F61P58-R60 HydrophobicContact CB-CG 3.85Å; P58-R60 PolarHBondContact O-N 3.04Å; P58-R60 VanDerWaalsContact O-N 3.08Å; P58-F61 HydrophobicContact CB-CD2 4.11Å; P58-F61 HydrophobicContact CB-CE2 4.31Å; P58-F61 HydrophobicContact CG-CD2 4.36Å; P58-F61 HydrophobicContact CG-CE2 4.22Å; P58-F61 PolarHBondContact O-N 2.83Å
59E97Very high96Very high170 Ų17064.1 Ų64.179%0.79439%0.393SS*.THydrogen-bonded Turntrans-63.9-20.1-176.6-64.3-162.9153.600114.8R53 F61R53-E59 VanDerWaalsContact CZ-CA 3.47Å; R53-E59 VanDerWaalsContact NH1-C 3.32Å; R53-E59 VanDerWaalsContact NH1-CA 3.33Å; R53-E59 PolarHBondContact NH1-O 2.89Å; E59-F61 PolarHBondContact O-N 3.4Å
60R97.8Very high96.1Very high36 Ų3659.8 Ų59.814%0.13638%0.375CS..THydrogen-bonded Turntrans-63.8-22.2177.257.1173.3-166.8-82.5-3.5114.9P58 I74 T75 E80 D81P58-R60 HydrophobicContact CB-CG 3.85Å; P58-R60 PolarHBondContact O-N 3.04Å; P58-R60 VanDerWaalsContact O-N 3.08Å; R60-I74 WeakPolarHBondContact O-CA 2.97Å; R60-T75 WeakPolarHBondContact CA-OG1 3.33Å; R60-T75 WeakPolarHBondContact CB-O 3.47Å; R60-T75 PolarHBondContact O-N 2.84Å; R60-T75 PolarHBondContact O-OG1 3.22Å; R60-E80 IonicContact CZ-OE1 2.71Å; R60-E80 IonicContact NH1-OE1 3.8Å; R60-E80 PolarHBondContact NH1-OE1 2.02Å; R60-E80 IonicContact NH2-OE1 3.27Å; R60-E80 PolarHBondContact NH2-OE1 2.79Å; R60-D81 IonicContact CZ-OD1 3.79Å; R60-D81 IonicContact CZ-OD2 3.47Å; R60-D81 IonicContact NE-OD1 3.92Å; R60-D81 PolarHBondContact NE-OD1 2.71Å; R60-D81 IonicContact NE-OD2 3.47Å; R60-D81 PolarHBondContact NE-OD2 2.93Å; R60-D81 VanDerWaalsContact NE-OD2 3.08Å; R60-D81 IonicContact NH2-OD1 3.08Å; R60-D81 PolarHBondContact NH2-OD1 2.77Å; R60-D81 IonicContact NH2-OD2 2.7Å
61F98.3Very high96.3Very high3 Ų359.9 Ų59.91%0.01338%0.376CS..EExtended strand (participates in β ladder)trans-89.2124178.7-68.5-86.6000110.7L46 R53 I57 P58 E59 L72 T73 I74 D81 Y85L46-F61 HydrophobicContact CD1-CD1 3.67Å; L46-F61 HydrophobicContact CD1-CE1 3.68Å; L46-F61 HydrophobicContact CD2-CD1 4.38Å; L46-F61 HydrophobicContact CD2-CE1 4.37Å; R53-F61 WeakPolarHBondContact CD-O 3.35Å; R53-F61 PolarHBondContact NH1-O 2.86Å; I57-F61 HydrophobicContact CG2-CB 4.07Å; I57-F61 HydrophobicContact CG2-CD2 3.95Å; I57-F61 HydrophobicContact CG2-CG 4.19Å; P58-F61 HydrophobicContact CB-CD2 4.11Å; P58-F61 HydrophobicContact CB-CE2 4.31Å; P58-F61 HydrophobicContact CG-CD2 4.36Å; P58-F61 HydrophobicContact CG-CE2 4.22Å; P58-F61 PolarHBondContact O-N 2.83Å; E59-F61 PolarHBondContact O-N 3.4Å; F61-L72 HydrophobicContact CD1-CD1 4.49Å; F61-T73 CarbonylContact C-O 3.53Å; F61-T73 WeakPolarHBondContact CA-O 3.37Å; F61-I74 HydrophobicContact CD1-CD1 4.19Å; F61-I74 HydrophobicContact CD1-CG1 3.76Å; F61-I74 HydrophobicContact CD1-CG2 4.29Å; F61-I74 HydrophobicContact CE1-CB 4.46Å; F61-I74 HydrophobicContact CE1-CD1 3.68Å; F61-I74 HydrophobicContact CE1-CG1 3.73Å; F61-I74 HydrophobicContact CE1-CG2 3.97Å; F61-I74 HydrophobicContact CZ-CG2 4.25Å; F61-D81 VanDerWaalsContact CZ-OD1 3.27Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.28Å; F61-Y85 HydrophobicContact CE1-CE1 4.27Å
62S98.2Very high96.4Very high49 Ų4956.3 Ų56.334%0.34335%0.351SS..EExtended strand (participates in β ladder)trans-137.4147.5172.959.30000111.2T73S62-T73 PolarHBondContact N-O 2.9Å; S62-T73 PolarHBondContact O-N 2.84Å
63G97.6Very high96.4Very high11 Ų1153.8 Ų53.811%0.11334%0.341CS..EExtended strand (participates in β ladder)trans-112.8151.1173.200000111.6D50 S51 T71D50-G63 CarbonylContact O-C 3.53Å; D50-G63 VanDerWaalsContact O-CA 3.31Å; D50-G63 WeakPolarHBondContact O-CA 3.25Å; S51-G63 WeakPolarHBondContact CB-O 3.1Å; G63-T71 CarbonylContact C-O 3.59Å; G63-T71 WeakPolarHBondContact CA-O 3.36Å
64S96.3Very high96.5Very high60 Ų6049.9 Ų49.942%0.4233%0.326SS..EExtended strand (participates in β ladder)trans-144.6156.3169.1610000110.6D50 A70 T71D50-S64 PolarHBondContact O-N 3.3Å; S64-A70 CarbonylContact O-C 3.48Å; S64-A70 VanDerWaalsContact O-CA 3.28Å; S64-A70 WeakPolarHBondContact O-CA 3.41Å; S64-T71 PolarHBondContact N-O 2.85Å; S64-T71 PolarHBondContact O-N 2.92Å
65S93.3Very high96.5Very high53 Ų5351.5 Ų51.537%0.37134%0.336SS..EExtended strand (participates in β ladder)trans-130.2142.2172.255.20000109.6D50 T69D50-S65 WeakPolarHBondContact CB-OG 3.37Å; D50-S65 VanDerWaalsContact CG-OG 3.26Å; D50-S65 PolarHBondContact OD2-OG 3.33Å; S65-T69 WeakPolarHBondContact CA-O 3.38Å
66S92.4Very high96.6Very high101 Ų10146.9 Ų46.971%0.70631%0.308SS*.EExtended strand (participates in β ladder)trans-147.7115.2174.6-176.20000109.4K68 T69S66-K68 PolarHBondContact O-N 3.15Å; S66-T69 PolarHBondContact N-O 2.83Å; S66-T69 PolarHBondContact O-N 3.31Å; S66-T69 VanDerWaalsContact O-N 3.14Å
67G91.3Very high96.6Very high51 Ų5143.4 Ų43.453%0.52627%0.271SS..THydrogen-bonded Turntrans53.6-122.6-171.200000110.8T69G67-T69 VanDerWaalsContact C-N 3.32Å; G67-T69 PolarHBondContact O-N 3.12Å
68K93.8Very high96.6Very high94 Ų9446.5 Ų46.541%0.40929%0.285SS..THydrogen-bonded Turntrans-93.416.6-175.8-67.9-177.8176.4-153.80114.2S23 G24 D25 D28 S66S23-K68 VanDerWaalsContact CA-O 3.29Å; S23-K68 WeakPolarHBondContact CA-O 3.36Å; G24-K68 PolarHBondContact N-O 3.42Å; G24-K68 WeakPolarHBondContact O-CB 3.4Å; D25-K68 WeakPolarHBondContact O-CE 3.31Å; D25-K68 PolarHBondContact O-NZ 2.84Å; D28-K68 HydrophobicContact CB-CG 4.21Å; D28-K68 WeakPolarHBondContact OD2-CE 3.39Å; S66-K68 PolarHBondContact O-N 3.15Å
69T95.6Very high96.5Very high51 Ų5147.6 Ų47.631%0.31330%0.298SS..EExtended strand (participates in β ladder)trans-131.6126.1-177.3-60.80000110.9C22 S23 S65 S66 G67C22-T69 CarbonylContact O-C 3.52Å; C22-T69 WeakPolarHBondContact O-CA 3.32Å; S23-T69 PolarHBondContact OG-OG1 2.96Å; S65-T69 WeakPolarHBondContact CA-O 3.38Å; S66-T69 PolarHBondContact N-O 2.83Å; S66-T69 PolarHBondContact O-N 3.31Å; S66-T69 VanDerWaalsContact O-N 3.14Å; G67-T69 VanDerWaalsContact C-N 3.32Å; G67-T69 PolarHBondContact O-N 3.12Å
70A96.2Very high96.4Very high0 Ų044.1 Ų44.10%028%0.282CS..EExtended strand (participates in β ladder)trans-100.3150.5167.100000110.6T21 C22 L27 T32 W34 S64T21-A70 CarbonylContact C-O 3.57Å; T21-A70 WeakPolarHBondContact CA-O 3.27Å; C22-A70 PolarHBondContact N-O 3.26Å; C22-A70 PolarHBondContact O-N 3.2Å; L27-A70 HydrophobicContact CD1-CB 4.43Å; T32-A70 HydrophobicContact CG2-CB 3.64Å; T32-A70 WeakPolarHBondContact OG1-CB 3.36Å; W34-A70 HydrophobicContact CZ2-CB 4.17Å; S64-A70 CarbonylContact O-C 3.48Å; S64-A70 VanDerWaalsContact O-CA 3.28Å; S64-A70 WeakPolarHBondContact O-CA 3.41Å
71T97.9Very high96.4Very high27 Ų2743 Ų4317%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-132.9126.9177.6-550000109.9K19 I20 T21 G63 S64K19-T71 HydrophobicContact CB-CG2 4.13Å; K19-T71 HydrophobicContact CG-CG2 4.44Å; I20-T71 CarbonylContact O-C 3.6Å; I20-T71 VanDerWaalsContact O-CA 3.3Å; I20-T71 WeakPolarHBondContact O-CA 3.41Å; T21-T71 HydrophobicContact CG2-CG2 4.46Å; G63-T71 CarbonylContact C-O 3.59Å; G63-T71 WeakPolarHBondContact CA-O 3.36Å; S64-T71 PolarHBondContact N-O 2.85Å; S64-T71 PolarHBondContact O-N 2.92Å
72L98.3Very high96.3Very high0 Ų051 Ų510%032%0.316CS..EExtended strand (participates in β ladder)trans-91.1127.1161.718068.9000108.3K19 I20 W34 L46 I47 F61 I74 Y85K19-L72 CarbonylContact C-O 3.54Å; K19-L72 WeakPolarHBondContact CA-O 3.46Å; I20-L72 HydrophobicContact CB-CB 4.36Å; I20-L72 HydrophobicContact CD1-CD2 4.37Å; I20-L72 PolarHBondContact N-O 3.32Å; I20-L72 PolarHBondContact O-N 2.81Å; W34-L72 HydrophobicContact CB-CD1 4.17Å; W34-L72 HydrophobicContact CB-CD2 4.35Å; W34-L72 HydrophobicContact CD2-CB 3.55Å; W34-L72 HydrophobicContact CD2-CD2 4.28Å; W34-L72 HydrophobicContact CD2-CG 4.35Å; W34-L72 HydrophobicContact CE3-CB 3.77Å; W34-L72 HydrophobicContact CE3-CD2 4.03Å; W34-L72 HydrophobicContact CE3-CG 4.49Å; W34-L72 HydrophobicContact CG-CB 3.98Å; W34-L72 HydrophobicContact CG-CD1 4.14Å; W34-L72 HydrophobicContact CG-CD2 4.44Å; W34-L72 HydrophobicContact CG-CG 4.42Å; W34-L72 HydrophobicContact CH2-CB 4.15Å; W34-L72 HydrophobicContact CZ2-CB 3.98Å; W34-L72 HydrophobicContact CZ3-CB 4.05Å; L46-L72 HydrophobicContact CD1-CD2 3.93Å; I47-L72 HydrophobicContact CG1-CD1 3.73Å; F61-L72 HydrophobicContact CD1-CD1 4.49Å; L72-I74 HydrophobicContact CD2-CD1 4.5Å; L72-I74 HydrophobicContact CG-CG1 4.39Å; L72-Y85 HydrophobicContact CD2-CD1 3.57Å; L72-Y85 HydrophobicContact CD2-CE1 3.96Å; L72-Y85 HydrophobicContact CD2-CG 4.46Å
73T98.3Very high96.3Very high22 Ų2249.9 Ų49.914%0.13531%0.311CS..EExtended strand (participates in β ladder)trans-111132.1175.1-57.30000109.1T17 A18 F61 S62 T75T17-T73 HydrophobicContact CG2-CG2 3.52Å; A18-T73 WeakPolarHBondContact O-CA 3.38Å; F61-T73 CarbonylContact C-O 3.53Å; F61-T73 WeakPolarHBondContact CA-O 3.37Å; S62-T73 PolarHBondContact N-O 2.9Å; S62-T73 PolarHBondContact O-N 2.84Å; T73-T75 HydrophobicContact CG2-CG2 4.06Å
74I98.3Very high96.3Very high4 Ų453.8 Ų53.82%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-120.9104.4175-48.1174.5000106.8T17 A18 I20 R60 F61 L72 Y85T17-I74 CarbonylContact C-O 3.52Å; T17-I74 VanDerWaalsContact CA-O 3.29Å; T17-I74 WeakPolarHBondContact CA-O 3.34Å; A18-I74 HydrophobicContact CB-CB 4.06Å; A18-I74 HydrophobicContact CB-CD1 4.42Å; A18-I74 HydrophobicContact CB-CG1 4.44Å; A18-I74 PolarHBondContact N-O 2.71Å; A18-I74 PolarHBondContact O-N 2.76Å; I20-I74 HydrophobicContact CD1-CD1 4.47Å; R60-I74 WeakPolarHBondContact O-CA 2.97Å; F61-I74 HydrophobicContact CD1-CD1 4.19Å; F61-I74 HydrophobicContact CD1-CG1 3.76Å; F61-I74 HydrophobicContact CD1-CG2 4.29Å; F61-I74 HydrophobicContact CE1-CB 4.46Å; F61-I74 HydrophobicContact CE1-CD1 3.68Å; F61-I74 HydrophobicContact CE1-CG1 3.73Å; F61-I74 HydrophobicContact CE1-CG2 3.97Å; F61-I74 HydrophobicContact CZ-CG2 4.25Å; L72-I74 HydrophobicContact CD2-CD1 4.5Å; L72-I74 HydrophobicContact CG-CG1 4.39Å; I74-Y85 HydrophobicContact CD1-CE1 3.8Å; I74-Y85 HydrophobicContact CD1-CE2 4.4Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.47Å
75T98.2Very high96.3Very high67 Ų6752.3 Ų52.341%0.41131%0.314SS..SBendtrans-85.5136.6178.956.70000110.8T17 R60 T73T17-T75 HydrophobicContact CG2-CG2 4.17Å; R60-T75 WeakPolarHBondContact CA-OG1 3.33Å; R60-T75 WeakPolarHBondContact CB-O 3.47Å; R60-T75 PolarHBondContact O-N 2.84Å; R60-T75 PolarHBondContact O-OG1 3.22Å; T73-T75 HydrophobicContact CG2-CG2 4.06Å
76G97.6Very high96.5Very high30 Ų3054.5 Ų54.531%0.30932%0.315SS..SBendtrans64.249.5-179.800000112.5G15 N16 Q78G15-G76 WeakPolarHBondContact O-CA 3.22Å; N16-G76 PolarHBondContact O-N 3.47Å; G76-Q78 WeakPolarHBondContact O-CG 3.43Å; G76-Q78 PolarHBondContact O-N 3.48Å
77A97.5Very high96.6Very high7 Ų750.4 Ų50.46%0.05829%0.286CS..  trans-50.3134.2-176.300000112V12 L14 G15 N16V12-A77 HydrophobicContact CG1-CB 3.8Å; L14-A77 CarbonylContact C-O 3.57Å; L14-A77 WeakPolarHBondContact CA-O 3.39Å; G15-A77 PolarHBondContact N-O 3.22Å; N16-A77 WeakPolarHBondContact O-CB 3.37Å; N16-A77 PolarHBondContact O-N 2.93Å
78Q97.4Very high96.8Very high90 Ų9052 Ų5242%0.42128%0.28SS..  trans-113.6162.4-177.1-57-174.9-10.600110.4G76 E80 D81G76-Q78 WeakPolarHBondContact O-CG 3.43Å; G76-Q78 PolarHBondContact O-N 3.48Å; Q78-E80 HydrophobicContact CB-CG 3.82Å; Q78-E80 PolarHBondContact O-N 2.77Å; Q78-E80 PolarHBondContact OE1-OE1 2.85Å; Q78-D81 PolarHBondContact N-OD2 3.34Å; Q78-D81 VanDerWaalsContact O-CB 3.31Å; Q78-D81 WeakPolarHBondContact O-CB 3.43Å; Q78-D81 PolarHBondContact O-N 3.32Å
79A95.9Very high96.7Very high73 Ų7349 Ų4960%0.60327%0.271SS*.G310 helixtrans-60.6-29.2177.500000112.1L14 D81 E82L14-A79 HydrophobicContact CD2-CB 4.3Å; A79-D81 PolarHBondContact O-N 2.88Å; A79-E82 PolarHBondContact O-N 3.46Å
80E95Very high96.3Very high98 Ų9847.3 Ų47.346%0.45826%0.262SS..G310 helixtrans-70.9-10.7174.462.7175.7-140.700114.4K38 R60 Q78 E82K38-E80 WeakPolarHBondContact CE-O 3.48Å; K38-E80 PolarHBondContact NZ-O 3.08Å; R60-E80 IonicContact CZ-OE1 2.71Å; R60-E80 IonicContact NH1-OE1 3.8Å; R60-E80 PolarHBondContact NH1-OE1 2.02Å; R60-E80 IonicContact NH2-OE1 3.27Å; R60-E80 PolarHBondContact NH2-OE1 2.79Å; Q78-E80 HydrophobicContact CB-CG 3.82Å; Q78-E80 PolarHBondContact O-N 2.77Å; Q78-E80 PolarHBondContact OE1-OE1 2.85Å; E80-E82 VanDerWaalsContact C-N 3.31Å
81D96.4Very high95.7Very high13 Ų1351 Ų517%0.0728%0.281CS..G310 helixtrans-87.3-2.3176.9-59.5-34.8000111.9R60 F61 Q78 A79 A83 Y85R60-D81 IonicContact CZ-OD1 3.79Å; R60-D81 IonicContact CZ-OD2 3.47Å; R60-D81 IonicContact NE-OD1 3.92Å; R60-D81 PolarHBondContact NE-OD1 2.71Å; R60-D81 IonicContact NE-OD2 3.47Å; R60-D81 PolarHBondContact NE-OD2 2.93Å; R60-D81 VanDerWaalsContact NE-OD2 3.08Å; R60-D81 IonicContact NH2-OD1 3.08Å; R60-D81 PolarHBondContact NH2-OD1 2.77Å; R60-D81 IonicContact NH2-OD2 2.7Å; F61-D81 VanDerWaalsContact CZ-OD1 3.27Å; F61-D81 WeakPolarHBondContact CZ-OD1 3.28Å; Q78-D81 PolarHBondContact N-OD2 3.34Å; Q78-D81 VanDerWaalsContact O-CB 3.31Å; Q78-D81 WeakPolarHBondContact O-CB 3.43Å; Q78-D81 PolarHBondContact O-N 3.32Å; A79-D81 PolarHBondContact O-N 2.88Å; D81-A83 PolarHBondContact O-N 3.24Å; D81-A83 VanDerWaalsContact O-N 3.16Å; D81-Y85 WeakPolarHBondContact O-CE2 3.3Å; D81-Y85 PolarHBondContact O-OH 3.34Å
82E96.9Very high94.4Very high169 Ų16952.9 Ų52.979%0.7930%0.296SS*.  trans-69.9108.6171.8-170.6172.517800110A79 E80A79-E82 PolarHBondContact O-N 3.46Å; E80-E82 VanDerWaalsContact C-N 3.31Å
83A97.3Very high92.6Very high27 Ų2758.5 Ų58.522%0.22333%0.331CS..SBendtrans-166.8168.4-172.100000110.7Q36 Q37 K38 D81 Y85Q36-A83 HydrophobicContact CG-CB 3.45Å; Q36-A83 VanDerWaalsContact CG-CB 3.45Å; Q37-A83 WeakPolarHBondContact O-CB 3.32Å; K38-A83 HydrophobicContact CG-CB 4.06Å; D81-A83 PolarHBondContact O-N 3.24Å; D81-A83 VanDerWaalsContact O-N 3.16Å; A83-Y85 HydrophobicContact CB-CE2 3.99Å; A83-Y85 VanDerWaalsContact O-CD2 3.23Å; A83-Y85 WeakPolarHBondContact O-CD2 3.38Å; A83-Y85 WeakPolarHBondContact O-CE2 3.19Å
84D98Very high90.1Very high92 Ų9265.8 Ų65.849%0.49236%0.36SS..EExtended strand (participates in β ladder)trans-81139.4165-65.4-52.3000110Q37 Y86Q37-D84 HydrophobicContact CB-CB 4.46Å; Q37-D84 PolarHBondContact N-O 2.92Å; Q37-D84 PolarHBondContact O-N 3.32Å; D84-Y86 HydrophobicContact CB-CE2 3.68Å; D84-Y86 WeakPolarHBondContact CB-OH 3.44Å
85Y97.8Very high87.4Confident30 Ų3076.9 Ų76.912%0.11842%0.42CS..EExtended strand (participates in β ladder)trans-123.5126.4-178.8-68.7-92.3000111.2Q6 I20 Y35 Q36 L46 F61 L72 I74 D81 A83Q6-Y85 PolarHBondContact NE2-O 3.2Å; I20-Y85 HydrophobicContact CD1-CD1 3.96Å; I20-Y85 HydrophobicContact CD1-CD2 3.48Å; I20-Y85 VanDerWaalsContact CD1-CD2 3.48Å; I20-Y85 HydrophobicContact CD1-CE1 4.47Å; I20-Y85 HydrophobicContact CD1-CE2 4.07Å; I20-Y85 HydrophobicContact CD1-CG 3.41Å; I20-Y85 VanDerWaalsContact CD1-CG 3.41Å; Y35-Y85 WeakPolarHBondContact O-CA 3Å; Q36-Y85 HydrophobicContact CB-CD1 4.29Å; Q36-Y85 HydrophobicContact CB-CE1 4Å; Q36-Y85 HydrophobicContact CG-CD1 4.47Å; Q36-Y85 HydrophobicContact CG-CE1 3.9Å; Q36-Y85 PolarHBondContact NE2-OH 2.91Å; L46-Y85 HydrophobicContact CD1-CD1 4.01Å; L46-Y85 HydrophobicContact CD1-CE1 3.7Å; F61-Y85 HydrophobicContact CE1-CE1 4.27Å; L72-Y85 HydrophobicContact CD2-CD1 3.57Å; L72-Y85 HydrophobicContact CD2-CE1 3.96Å; L72-Y85 HydrophobicContact CD2-CG 4.46Å; I74-Y85 HydrophobicContact CD1-CE1 3.8Å; I74-Y85 HydrophobicContact CD1-CE2 4.4Å; I74-Y85 WeakPolarHBondContact CD1-OH 3.47Å; D81-Y85 WeakPolarHBondContact O-CE2 3.3Å; D81-Y85 PolarHBondContact O-OH 3.34Å; A83-Y85 HydrophobicContact CB-CE2 3.99Å; A83-Y85 VanDerWaalsContact O-CD2 3.23Å; A83-Y85 WeakPolarHBondContact O-CD2 3.38Å; A83-Y85 WeakPolarHBondContact O-CE2 3.19Å
86Y96.4Very high86.8Confident98 Ų9877.4 Ų77.438%0.38442%0.42SS..EExtended strand (participates in β ladder)trans-122134.9-176.1-55.3-74.8000111.3W34 Y35 Q37 D84W34-Y86 WeakPolarHBondContact CA-O 3.33Å; Y35-Y86 PolarHBondContact N-O 3.27Å; Y35-Y86 PolarHBondContact O-N 3.35Å; Q37-Y86 HydrophobicContact CB-CD2 4.33Å; Q37-Y86 HydrophobicContact CB-CE2 3.81Å; Q37-Y86 VanDerWaalsContact OE1-CE2 3.3Å; D84-Y86 HydrophobicContact CB-CE2 3.68Å; D84-Y86 WeakPolarHBondContact CB-OH 3.44Å
87C95.7Very high86.3Confident15 Ų1579.8 Ų79.810%0.10143%0.426CS..EExtended strand (participates in β ladder)trans-94.7151.4165.567.60000111.1Q6 C22 T32 R33 W34Q6-C87 VanDerWaalsContact CD-SG 3.51Å; Q6-C87 PolarHBondContact OE1-SG 2.76Å; C22-C87 HydrophobicContact CB-CB 3.38Å; C22-C87 WeakPolarHBondContact CB-SG 3.29Å; C22-C87 WeakPolarHBondContact SG-CB 3.37Å; C22-C87 CovalentContact SG-SG 2.02Å; C22-C87 PolarHBondContact SG-SG 3.22Å; T32-C87 HydrophobicContact CG2-CB 4.16Å; R33-C87 CarbonylContact O-C 3.59Å; R33-C87 VanDerWaalsContact O-CA 3.28Å; R33-C87 WeakPolarHBondContact O-CA 3.45Å; W34-C87 HydrophobicContact CD2-CB 4.34Å; W34-C87 HydrophobicContact CE3-CB 4.1Å; W34-C87 HydrophobicContact CH2-CB 4.07Å; W34-C87 HydrophobicContact CZ2-CB 4.29Å; W34-C87 HydrophobicContact CZ3-CB 3.97Å
88Q94.3Very high85.6Confident85 Ų8583.9 Ų83.940%0.39745%0.446SS..EExtended strand (participates in β ladder)trans-138.9134172.9177.5-177.271.600109T32 R33 Y35T32-Q88 WeakPolarHBondContact CA-O 3.48Å; R33-Q88 HydrophobicContact CB-CB 4.43Å; R33-Q88 PolarHBondContact N-O 3.01Å; R33-Q88 PolarHBondContact O-N 3.06Å; Y35-Q88 HydrophobicContact CE2-CB 3.85Å; Y35-Q88 PolarHBondContact OH-OE1 2.95Å
89S92.4Very high84.9Confident32 Ų3283.5 Ų83.522%0.22445%0.448CS..EExtended strand (participates in β ladder)trans-80.8135.7167.965.70000109.9Y31Y31-S89 CarbonylContact O-C 3.54Å; Y31-S89 WeakPolarHBondContact O-CA 3.46Å
90A87.3Confident84.2Confident15 Ų1584.2 Ų84.212%0.12444%0.438CS..EExtended strand (participates in β ladder)trans-130.2137.417900000109.2K30 Y31 R33 S92K30-A90 WeakPolarHBondContact CB-O 3.06Å; Y31-A90 PolarHBondContact N-O 2.84Å; Y31-A90 PolarHBondContact O-N 3.47Å; R33-A90 HydrophobicContact CG-CB 4.44Å; A90-S92 PolarHBondContact O-N 3.2Å
91D83.6Confident83.5Confident76 Ų7683.3 Ų83.341%0.40644%0.437SS..EExtended strand (participates in β ladder)trans-58.9141.1179.4-60.1-34.4000110.9K30 T93K30-D91 WeakPolarHBondContact CE-OD1 3.18Å; K30-D91 IonicContact NZ-OD1 2.71Å; K30-D91 PolarHBondContact NZ-OD1 3.14Å; D91-T93 PolarHBondContact O-N 2.89Å
92S69.3Low82.6Confident67 Ų6788.3 Ų88.347%0.46946%0.463SS..SBendtrans-66.6-14.6177.649.20000113.1E29 A90E29-S92 PolarHBondContact O-OG 2.78Å; A90-S92 PolarHBondContact O-N 3.2Å
93T62.1Low81.5Confident119 Ų11982.1 Ų82.173%0.7344%0.438SS*.  trans-112.763.8-17650.50000112.8D91D91-T93 PolarHBondContact O-N 2.89Å
94K44Very low80.2Confident174 Ų17486.7 Ų86.776%0.75746%0.456SS*.  trans-142.294.7159.3-68.4-167.7-176.6177.20111.5
95N41.5Very low78.6Confident237 Ų23786.2 Ų86.2100%1.26745%0.452SS*.  trans-103.80138.9-158.126.4000106.6

Retrieved 95 of 95 residues in 71.2 ms (Link to these results)

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