A0A077ZFX4_TRITR Loading...

Small ribosomal subunit protein bS6m

AlphaFold DB , UniProt , Accession A0A077ZFX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 100 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
1M42.7Very low83Confident216 Ų21668.4 Ų68.4100%1.06436%0.355SS*.  0111.50-67.2176.9-174.500106.2Q3M1-Q3 PolarHBondContact O-N 3.09Å
2S54.1Low84.1Confident115 Ų11563.8 Ų63.880%0.80433%0.331SS*.  trans-69.3100.7175.2-56.50000107.2N4S2-N4 PolarHBondContact O-N 3.04Å; S2-N4 VanDerWaalsContact O-N 3.09Å
3Q70.7Confident85.1Confident128 Ų12858.8 Ų58.860%0.59831%0.305SS*.  trans-76.996.9-178.4-63.9-67.96500108.4M1 T5 T72M1-Q3 PolarHBondContact O-N 3.09Å; Q3-T5 PolarHBondContact O-N 3.29Å; Q3-T72 PolarHBondContact O-OG1 3.2Å
4N84.3Confident85.8Confident88 Ų8859 Ų5947%0.47130%0.3SS..  trans-63.9134.2169.3-76.716.6000108.6S2 T69 A70S2-N4 PolarHBondContact O-N 3.04Å; S2-N4 VanDerWaalsContact O-N 3.09Å; N4-T69 PolarHBondContact ND2-OG1 3.19Å; N4-A70 WeakPolarHBondContact CA-O 3.24Å
5T90.5Very high86.3Confident15 Ų1556.7 Ų56.79%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-104136.1175.8-64.60000108.8Q3 Y7 T69 A70 K97Q3-T5 PolarHBondContact O-N 3.29Å; T5-Y7 HydrophobicContact CG2-CD2 4.19Å; T5-Y7 HydrophobicContact CG2-CE1 4.08Å; T5-Y7 HydrophobicContact CG2-CE2 3.55Å; T5-Y7 VanDerWaalsContact CG2-CZ 3.49Å; T5-Y7 VanDerWaalsContact O-CD2 3.31Å; T5-Y7 WeakPolarHBondContact O-CD2 3.42Å; T5-Y7 WeakPolarHBondContact O-CE2 3.42Å; T5-T69 WeakPolarHBondContact O-CA 3.37Å; T5-A70 PolarHBondContact N-O 2.86Å; T5-A70 PolarHBondContact O-N 2.68Å; T5-K97 HydrophobicContact CG2-CD 3.59Å; T5-K97 VanDerWaalsContact CG2-CE 3.4Å; T5-K97 HydrophobicContact CG2-CG 3.51Å
6K92.5Very high86.8Confident80 Ų8059.1 Ų59.135%0.34830%0.304SS..EExtended strand (participates in β ladder)trans-83.3135.8174.5-65.1-173.5177.3-176.80110.1T69 I98 E100K6-T69 HydrophobicContact CG-CG2 4.1Å; K6-I98 HydrophobicContact CB-CB 4.05Å; K6-I98 HydrophobicContact CB-CD1 4.46Å; K6-I98 PolarHBondContact O-N 3.45Å; K6-E100 HydrophobicContact CD-CG 4.5Å; K6-E100 WeakPolarHBondContact CE-OE1 3.25Å; K6-E100 IonicContact NZ-OE1 2.61Å; K6-E100 PolarHBondContact NZ-OE1 3.03Å
7Y94.1Very high87.2Confident25 Ų2556.7 Ų56.710%0.09829%0.292CS..EExtended strand (participates in β ladder)trans-128.8140.5177.3-63.8-86.1000110T5 N67 A68 A70 V77 I95 V96 K97T5-Y7 HydrophobicContact CG2-CD2 4.19Å; T5-Y7 HydrophobicContact CG2-CE1 4.08Å; T5-Y7 HydrophobicContact CG2-CE2 3.55Å; T5-Y7 VanDerWaalsContact CG2-CZ 3.49Å; T5-Y7 VanDerWaalsContact O-CD2 3.31Å; T5-Y7 WeakPolarHBondContact O-CD2 3.42Å; T5-Y7 WeakPolarHBondContact O-CE2 3.42Å; Y7-N67 WeakPolarHBondContact O-CA 3.48Å; Y7-A68 PolarHBondContact N-O 3.31Å; Y7-A68 PolarHBondContact O-N 3.2Å; Y7-A70 HydrophobicContact CD2-CB 4.21Å; Y7-A70 HydrophobicContact CE2-CB 4.05Å; Y7-V77 HydrophobicContact CD1-CG2 4.13Å; Y7-V77 HydrophobicContact CD2-CG2 3.81Å; Y7-V77 HydrophobicContact CE1-CG2 4.31Å; Y7-V77 HydrophobicContact CE2-CG2 4Å; Y7-V77 HydrophobicContact CG-CG2 3.87Å; Y7-I95 HydrophobicContact CD1-CG2 4.17Å; Y7-V96 CarbonylContact C-O 3.47Å; Y7-V96 VanDerWaalsContact CA-O 3.24Å; Y7-V96 WeakPolarHBondContact CA-O 3.24Å; Y7-K97 HydrophobicContact CD1-CB 4.18Å; Y7-K97 HydrophobicContact CE1-CB 4.01Å; Y7-K97 HydrophobicContact CE1-CG 4.41Å
8E94.9Very high87.5Confident66 Ų6658.6 Ų58.631%0.30830%0.302SS..EExtended strand (participates in β ladder)trans-106.1123.7163.4-172.2176.889.400108I65 V96 I98E8-I65 HydrophobicContact CG-CG2 3.8Å; E8-V96 PolarHBondContact N-O 2.98Å; E8-V96 PolarHBondContact O-N 3.18Å; E8-I98 HydrophobicContact CB-CD1 3.96Å; E8-I98 HydrophobicContact CB-CG1 4.14Å
9I95.9Very high87.8Confident0 Ų063.5 Ų63.50%032%0.324CS..EExtended strand (participates in β ladder)trans-111.4114.4175.3-56.7176.1000107Y11 L33 I65 V66 F80 M94 I95I9-Y11 HydrophobicContact CG2-CD1 4.22Å; I9-L33 HydrophobicContact CD1-CD1 4.03Å; I9-L33 HydrophobicContact CD1-CD2 3.84Å; I9-I65 CarbonylContact O-C 3.48Å; I9-I65 WeakPolarHBondContact O-CA 3.3Å; I9-V66 HydrophobicContact CB-CB 4.37Å; I9-V66 PolarHBondContact N-O 3.05Å; I9-V66 PolarHBondContact O-N 2.9Å; I9-F80 HydrophobicContact CD1-CD1 4.38Å; I9-F80 HydrophobicContact CD1-CD2 4.22Å; I9-F80 HydrophobicContact CD1-CG 4.15Å; I9-F80 HydrophobicContact CG2-CD1 3.9Å; I9-F80 HydrophobicContact CG2-CE1 3.35Å; I9-F80 HydrophobicContact CG2-CE2 4.02Å; I9-F80 HydrophobicContact CG2-CZ 3.44Å; I9-F80 VanDerWaalsContact CG2-CZ 3.44Å; I9-M94 WeakPolarHBondContact CA-O 2.94Å; I9-I95 HydrophobicContact CG1-CG1 4.32Å; I9-I95 HydrophobicContact CG1-CG2 4.22Å; I9-I95 HydrophobicContact CG2-CG1 4.32Å
10T96.5Very high88.1Confident19 Ų1968.7 Ų68.712%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-108.3127.9172.6-62.60000108.8Y63 H64 I65 H93 M94T10-Y63 HydrophobicContact CG2-CD1 4.07Å; T10-H64 WeakPolarHBondContact CA-O 3.22Å; T10-I65 HydrophobicContact CG2-CG1 4.26Å; T10-H93 CarbonylContact O-C 3.56Å; T10-H93 VanDerWaalsContact O-CA 3.24Å; T10-H93 WeakPolarHBondContact O-CA 3.23Å; T10-M94 PolarHBondContact N-O 2.68Å; T10-M94 PolarHBondContact O-N 2.82Å
11Y96.9Very high88.5Confident0 Ų067 Ų670%034%0.343CS..EExtended strand (participates in β ladder)trans-135.1157174.261-86000112.1I9 I13 H64 V66 F80 I90 R92I9-Y11 HydrophobicContact CG2-CD1 4.22Å; Y11-I13 HydrophobicContact CD2-CD1 4.46Å; Y11-I13 HydrophobicContact CD2-CG1 3.89Å; Y11-I13 HydrophobicContact CE2-CD1 3.9Å; Y11-I13 HydrophobicContact CE2-CG1 3.81Å; Y11-H64 HydrophobicContact CD2-CB 4.24Å; Y11-H64 HydrophobicContact CE1-CB 4.16Å; Y11-H64 AromaticContact CE1-CD2 3.5Å; Y11-H64 VanDerWaalsContact CE1-CD2 3.5Å; Y11-H64 WeakPolarHBondContact CE1-CD2 3.49Å; Y11-H64 HydrophobicContact CE2-CB 3.79Å; Y11-H64 AromaticContact CZ-CD2 3.32Å; Y11-H64 AromaticContact CZ-CG 3.66Å; Y11-H64 PolarHBondContact N-O 3Å; Y11-H64 PolarHBondContact O-N 3.46Å; Y11-H64 PolarHBondContact OH-CD2 3.46Å; Y11-H64 PolarHBondContact OH-NE2 3.26Å; Y11-V66 HydrophobicContact CE1-CG2 3.83Å; Y11-F80 HydrophobicContact CD1-CE2 4.43Å; Y11-F80 AromaticContact CD1-CZ 3.67Å; Y11-F80 HydrophobicContact CD1-CZ 3.67Å; Y11-F80 HydrophobicContact CE1-CE2 4.32Å; Y11-F80 HydrophobicContact CE1-CZ 4Å; Y11-F80 HydrophobicContact CG-CZ 4.24Å; Y11-I90 HydrophobicContact CD2-CD1 4.08Å; Y11-I90 HydrophobicContact CD2-CG1 4.31Å; Y11-R92 CarbonylContact C-O 3.54Å; Y11-R92 VanDerWaalsContact CA-O 3.29Å; Y11-R92 WeakPolarHBondContact CA-O 3.48Å
12I96.7Very high91Very high13 Ų1358.3 Ų58.37%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-114.8116.5-174-56.6178.8000107.8F51 M55 I62 Y63 I90 I91 R92I12-F51 HydrophobicContact CD1-CE1 4.1Å; I12-F51 HydrophobicContact CG2-CE1 3.69Å; I12-F51 HydrophobicContact CG2-CZ 3.48Å; I12-F51 VanDerWaalsContact CG2-CZ 3.48Å; I12-M55 HydrophobicContact CD1-CE 4.1Å; I12-I62 WeakPolarHBondContact CA-O 3.49Å; I12-Y63 HydrophobicContact CD1-CD1 4.41Å; I12-Y63 HydrophobicContact CD1-CE1 3.61Å; I12-Y63 HydrophobicContact CD1-CE2 4.31Å; I12-Y63 WeakPolarHBondContact CD1-OH 3.36Å; I12-Y63 HydrophobicContact CG1-CD1 3.92Å; I12-Y63 HydrophobicContact CG1-CE1 3.63Å; I12-Y63 HydrophobicContact CG1-CE2 4.38Å; I12-Y63 HydrophobicContact CG1-CG 4.44Å; I12-I90 CarbonylContact O-C 3.56Å; I12-I90 WeakPolarHBondContact O-CA 3.4Å; I12-I91 HydrophobicContact CB-CB 4.37Å; I12-I91 HydrophobicContact CG2-CB 4.2Å; I12-I91 HydrophobicContact CG2-CD1 4.27Å; I12-I91 PolarHBondContact O-N 3.07Å; I12-R92 HydrophobicContact CD1-CB 4.29Å; I12-R92 PolarHBondContact N-O 2.94Å
13I96.2Very high92.9Very high0 Ų055.9 Ų55.90%028%0.28CS..EExtended strand (participates in β ladder)trans-90.2143.3176.9-50.6170.7000109Y11 I17 K22 L25 V26 G61 I62 H64 D89Y11-I13 HydrophobicContact CD2-CD1 4.46Å; Y11-I13 HydrophobicContact CD2-CG1 3.89Å; Y11-I13 HydrophobicContact CE2-CD1 3.9Å; Y11-I13 HydrophobicContact CE2-CG1 3.81Å; I13-I17 HydrophobicContact CG2-CB 4.43Å; I13-I17 HydrophobicContact CG2-CD1 3.99Å; I13-I17 HydrophobicContact CG2-CG2 3.8Å; I13-K22 HydrophobicContact CD1-CG 3.95Å; I13-L25 HydrophobicContact CD1-CD2 4.15Å; I13-L25 HydrophobicContact CG1-CD2 4.04Å; I13-L25 HydrophobicContact CG2-CD2 3.86Å; I13-V26 HydrophobicContact CD1-CG2 4.38Å; I13-G61 WeakPolarHBondContact O-CA 3.38Å; I13-I62 HydrophobicContact CB-CB 4.37Å; I13-I62 PolarHBondContact N-O 2.8Å; I13-I62 PolarHBondContact O-N 3.29Å; I13-H64 HydrophobicContact CD1-CB 4.29Å; I13-D89 CarbonylContact C-O 3.55Å; I13-D89 WeakPolarHBondContact CA-O 3.19Å
14R94.8Very high94.1Very high61 Ų6152.4 Ų52.423%0.2327%0.273CS..  trans-57.3141.7176.166-179.1174.8100.3-1.1112N16 I17 F58 D89 I91R14-N16 VanDerWaalsContact C-N 3.26Å; R14-N16 VanDerWaalsContact CD-OD1 3.24Å; R14-N16 WeakPolarHBondContact CD-OD1 3.49Å; R14-N16 WeakPolarHBondContact CG-OD1 3.31Å; R14-N16 PolarHBondContact NH1-OD1 3.36Å; R14-N16 PolarHBondContact O-N 3.23Å; R14-I17 HydrophobicContact CG-CB 4.15Å; R14-I17 WeakPolarHBondContact O-CG2 3.31Å; R14-F58 HydrophobicContact CB-CE2 4.05Å; R14-F58 HydrophobicContact CB-CZ 4.09Å; R14-D89 IonicContact CZ-OD1 3.72Å; R14-D89 PolarHBondContact N-O 3.25Å; R14-D89 IonicContact NE-OD1 2.65Å; R14-D89 PolarHBondContact NE-OD1 2.77Å; R14-D89 IonicContact NH2-OD1 3.54Å; R14-D89 PolarHBondContact NH2-OD1 2.88Å; R14-I91 HydrophobicContact CB-CD1 4.2Å; R14-I91 HydrophobicContact CB-CG1 4.31Å
15P94.1Very high94.7Very high24 Ų2448.6 Ų48.616%0.15625%0.253CS..THydrogen-bonded Turntrans-76.1-10.6-170.432.5-39.1000114.3F58 E60P15-F58 VanDerWaalsContact CD-CD1 3.45Å; P15-F58 HydrophobicContact CG-CB 4.3Å; P15-F58 HydrophobicContact CG-CD1 3.46Å; P15-F58 VanDerWaalsContact CG-CD1 3.46Å; P15-F58 HydrophobicContact CG-CE1 4.03Å; P15-F58 HydrophobicContact CG-CG 4.08Å; P15-E60 HydrophobicContact CB-CG 3.83Å; P15-E60 WeakPolarHBondContact CD-O 3.47Å; P15-E60 HydrophobicContact CG-CG 4.02Å; P15-E60 VanDerWaalsContact CG-O 3.27Å; P15-E60 WeakPolarHBondContact CG-O 3.47Å
16N93.2Very high94.9Very high96 Ų9648.8 Ų48.851%0.51325%0.254SS..THydrogen-bonded Turntrans-106.214.1-176.669.7-15.5000113.2R14R14-N16 VanDerWaalsContact C-N 3.26Å; R14-N16 VanDerWaalsContact CD-OD1 3.24Å; R14-N16 WeakPolarHBondContact CD-OD1 3.49Å; R14-N16 WeakPolarHBondContact CG-OD1 3.31Å; R14-N16 PolarHBondContact NH1-OD1 3.36Å; R14-N16 PolarHBondContact O-N 3.23Å
17I93.6Very high95.1Very high18 Ų1850.7 Ų50.79%0.09226%0.264CS..  trans-73.3142.7170.4-162.4166000109.3I13 R14 A21 K22 L25 I62 D89I13-I17 HydrophobicContact CG2-CB 4.43Å; I13-I17 HydrophobicContact CG2-CD1 3.99Å; I13-I17 HydrophobicContact CG2-CG2 3.8Å; R14-I17 HydrophobicContact CG-CB 4.15Å; R14-I17 WeakPolarHBondContact O-CG2 3.31Å; I17-A21 HydrophobicContact CD1-CB 4.04Å; I17-A21 HydrophobicContact CG1-CB 3.69Å; I17-K22 HydrophobicContact CD1-CB 4.4Å; I17-K22 HydrophobicContact CG2-CB 4.03Å; I17-K22 HydrophobicContact CG2-CG 4.37Å; I17-L25 HydrophobicContact CD1-CD2 4.33Å; I17-I62 HydrophobicContact CG2-CD1 4.41Å; I17-D89 HydrophobicContact CD1-CB 4.14Å
18D94.1Very high95.1Very high91 Ų9156.2 Ų56.249%0.48728%0.284SS..  trans-76.3164.6169.863.378.7000111.4E20 A21 K22D18-E20 PolarHBondContact O-N 2.83Å; D18-E20 PolarHBondContact OD1-N 3.46Å; D18-A21 VanDerWaalsContact OD1-CB 3.26Å; D18-A21 WeakPolarHBondContact OD1-CB 3.37Å; D18-A21 PolarHBondContact OD1-N 3.33Å; D18-A21 WeakPolarHBondContact OD2-CB 3.46Å; D18-K22 WeakPolarHBondContact O-CB 3.41Å; D18-K22 PolarHBondContact O-N 2.83Å
19E92.4Very high95.2Very high152 Ų15253.1 Ų53.171%0.7127%0.27SS*.Hα-helixtrans-68.6-33.1-173.2-170.6170.4-16800113.2T23E19-T23 PolarHBondContact O-N 3.07Å; E19-T23 PolarHBondContact O-OG1 3.44Å
20E94.5Very high95.1Very high167 Ų16754.1 Ų54.178%0.7828%0.275SS*.Hα-helixtrans-69.2-48.5177.9-64.8-179.6-177.600110.3D18 K22 T23 A24D18-E20 PolarHBondContact O-N 2.83Å; D18-E20 PolarHBondContact OD1-N 3.46Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.14Å; E20-T23 PolarHBondContact O-N 2.95Å; E20-A24 PolarHBondContact O-N 2.7Å
21A95.3Very high95.1Very high32 Ų3256.4 Ų56.426%0.26429%0.29SS..Hα-helixtrans-63.3-37.7176.300000112I17 D18 A24 L25I17-A21 HydrophobicContact CD1-CB 4.04Å; I17-A21 HydrophobicContact CG1-CB 3.69Å; D18-A21 VanDerWaalsContact OD1-CB 3.26Å; D18-A21 WeakPolarHBondContact OD1-CB 3.37Å; D18-A21 PolarHBondContact OD1-N 3.33Å; D18-A21 WeakPolarHBondContact OD2-CB 3.46Å; A21-A24 PolarHBondContact O-N 2.81Å; A21-L25 WeakPolarHBondContact O-CB 3.23Å; A21-L25 PolarHBondContact O-N 3Å
22K94.9Very high94.9Very high34 Ų3457.4 Ų57.415%0.14830%0.295CS..Hα-helixtrans-60.5-48.1173.7-170.9-163.467.7172.20111I13 I17 D18 E20 L25 V26 D45I13-K22 HydrophobicContact CD1-CG 3.95Å; I17-K22 HydrophobicContact CD1-CB 4.4Å; I17-K22 HydrophobicContact CG2-CB 4.03Å; I17-K22 HydrophobicContact CG2-CG 4.37Å; D18-K22 WeakPolarHBondContact O-CB 3.41Å; D18-K22 PolarHBondContact O-N 2.83Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.14Å; K22-L25 WeakPolarHBondContact O-CB 3.46Å; K22-L25 PolarHBondContact O-N 3.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.33Å; K22-V26 PolarHBondContact O-N 3.16Å; K22-D45 IonicContact NZ-OD2 2.76Å; K22-D45 PolarHBondContact NZ-OD2 3.41Å
23T95Very high94.8Very high64 Ų6456.8 Ų56.839%0.39329%0.291SS..Hα-helixtrans-61.8-46179.3-55.90000110.9E19 E20 L25 V26 E27E19-T23 PolarHBondContact O-N 3.07Å; E19-T23 PolarHBondContact O-OG1 3.44Å; E20-T23 PolarHBondContact O-N 2.95Å; T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.47Å; T23-V26 PolarHBondContact O-N 2.79Å; T23-E27 WeakPolarHBondContact O-CG 3.34Å; T23-E27 PolarHBondContact O-N 3.47Å
24A96.3Very high94.6Very high56 Ų5662.6 Ų62.646%0.46332%0.317SS..Hα-helixtrans-61.4-36.6176.400000112.9E20 A21 R28E20-A24 PolarHBondContact O-N 2.7Å; A21-A24 PolarHBondContact O-N 2.81Å; A24-R28 WeakPolarHBondContact O-CB 3.33Å; A24-R28 PolarHBondContact O-N 2.94Å
25L95.7Very high94.6Very high7 Ų765.7 Ų65.74%0.03734%0.338CS..Hα-helixtrans-63.4-50.6175.4-173.875.2000110.9I13 I17 A21 K22 T23 R28 F29 N87 D89 I90I13-L25 HydrophobicContact CD1-CD2 4.15Å; I13-L25 HydrophobicContact CG1-CD2 4.04Å; I13-L25 HydrophobicContact CG2-CD2 3.86Å; I17-L25 HydrophobicContact CD1-CD2 4.33Å; A21-L25 WeakPolarHBondContact O-CB 3.23Å; A21-L25 PolarHBondContact O-N 3Å; K22-L25 WeakPolarHBondContact O-CB 3.46Å; K22-L25 PolarHBondContact O-N 3.42Å; T23-L25 VanDerWaalsContact C-N 3.3Å; T23-L25 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 3.42Å; L25-F29 HydrophobicContact CD1-CD2 4.04Å; L25-F29 HydrophobicContact CD1-CE2 3.69Å; L25-F29 HydrophobicContact CG-CD2 4.12Å; L25-F29 HydrophobicContact CG-CE2 4.21Å; L25-F29 WeakPolarHBondContact O-CD2 3.27Å; L25-F29 PolarHBondContact O-N 3.45Å; L25-N87 VanDerWaalsContact CD1-ND2 3.3Å; L25-N87 WeakPolarHBondContact CD1-ND2 3.45Å; L25-D89 HydrophobicContact CD1-CB 4.08Å; L25-D89 HydrophobicContact CD2-CB 3.79Å; L25-I90 HydrophobicContact CD2-CG1 4.29Å
26V95.8Very high94.5Very high19 Ų1967.3 Ų67.312%0.11535%0.345CS..Hα-helixtrans-59.3-51.2179.2173.20000110.4I13 K22 T23 R28 F29 D30I13-V26 HydrophobicContact CD1-CG2 4.38Å; K22-V26 WeakPolarHBondContact O-CG2 3.33Å; K22-V26 PolarHBondContact O-N 3.16Å; T23-V26 PolarHBondContact O-N 2.79Å; V26-R28 VanDerWaalsContact C-N 3.28Å; V26-R28 PolarHBondContact O-N 3.38Å; V26-F29 PolarHBondContact O-N 2.96Å; V26-D30 WeakPolarHBondContact O-CB 3.46Å; V26-D30 PolarHBondContact O-N 3.42Å
27E95.7Very high94.3Very high121 Ų12165 Ų6557%0.56534%0.344SS*.Hα-helixtrans-59.2-38.8179.2-73.3-177.9173.400112.7T23 D30 T31T23-E27 WeakPolarHBondContact O-CG 3.34Å; T23-E27 PolarHBondContact O-N 3.47Å; E27-D30 PolarHBondContact O-N 2.97Å; E27-T31 WeakPolarHBondContact O-CB 3.25Å; E27-T31 PolarHBondContact O-N 3.39Å; E27-T31 PolarHBondContact O-OG1 3.42Å
28R95.6Very high94.2Very high140 Ų14064.5 Ų64.553%0.52834%0.342SS..Hα-helixtrans-62.6-48.3176.6177.5-179.2176.1-171.6-1.4111.4A24 L25 V26 T31 I32A24-R28 WeakPolarHBondContact O-CB 3.33Å; A24-R28 PolarHBondContact O-N 2.94Å; L25-R28 PolarHBondContact O-N 3.42Å; V26-R28 VanDerWaalsContact C-N 3.28Å; V26-R28 PolarHBondContact O-N 3.38Å; R28-T31 PolarHBondContact O-N 3.3Å; R28-I32 HydrophobicContact CG-CD1 4Å; R28-I32 WeakPolarHBondContact O-CD1 3.44Å; R28-I32 VanDerWaalsContact O-CG1 3.31Å; R28-I32 WeakPolarHBondContact O-CG1 3.49Å; R28-I32 PolarHBondContact O-N 3.11Å
29F95.5Very high94.2Very high1 Ų166.2 Ų66.20%0.00435%0.348CS..Hα-helixtrans-68.8-34.9179.9-86.1-78.1000112.5L25 V26 T31 I32 L33 F80 L83 A84 N87 I90L25-F29 HydrophobicContact CD1-CD2 4.04Å; L25-F29 HydrophobicContact CD1-CE2 3.69Å; L25-F29 HydrophobicContact CG-CD2 4.12Å; L25-F29 HydrophobicContact CG-CE2 4.21Å; L25-F29 WeakPolarHBondContact O-CD2 3.27Å; L25-F29 PolarHBondContact O-N 3.45Å; V26-F29 PolarHBondContact O-N 2.96Å; F29-T31 VanDerWaalsContact C-N 3.34Å; F29-I32 HydrophobicContact CD1-CD1 4.2Å; F29-I32 HydrophobicContact CE1-CD1 4.5Å; F29-I32 PolarHBondContact O-N 2.97Å; F29-L33 WeakPolarHBondContact O-CG 3.42Å; F29-L33 PolarHBondContact O-N 2.79Å; F29-L33 VanDerWaalsContact O-N 3.11Å; F29-F80 HydrophobicContact CB-CD2 4.33Å; F29-F80 HydrophobicContact CB-CE2 3.83Å; F29-F80 AromaticContact CD1-CD2 3.54Å; F29-F80 HydrophobicContact CD1-CD2 3.54Å; F29-F80 AromaticContact CD1-CE2 3.37Å; F29-F80 HydrophobicContact CD1-CE2 3.37Å; F29-F80 HydrophobicContact CD1-CG 4.26Å; F29-F80 AromaticContact CD1-CZ 3.93Å; F29-F80 HydrophobicContact CD1-CZ 3.93Å; F29-F80 HydrophobicContact CE1-CD2 4.34Å; F29-F80 HydrophobicContact CE1-CE2 4.22Å; F29-F80 HydrophobicContact CE1-CZ 4.4Å; F29-F80 HydrophobicContact CG-CD2 4.35Å; F29-F80 AromaticContact CG-CE2 3.87Å; F29-F80 HydrophobicContact CG-CE2 3.87Å; F29-F80 HydrophobicContact CG-CZ 4.47Å; F29-L83 HydrophobicContact CE1-CB 4.01Å; F29-L83 HydrophobicContact CZ-CB 4.42Å; F29-A84 HydrophobicContact CE1-CB 4.09Å; F29-A84 HydrophobicContact CZ-CB 4.37Å; F29-N87 HydrophobicContact CZ-CB 4.2Å; F29-I90 HydrophobicContact CD2-CD1 3.99Å; F29-I90 HydrophobicContact CE1-CD1 4.03Å; F29-I90 HydrophobicContact CE2-CD1 3.35Å; F29-I90 HydrophobicContact CE2-CG1 4.34Å; F29-I90 HydrophobicContact CZ-CD1 3.37Å
30D95Very high94.2Very high21 Ų2160.7 Ų60.711%0.11232%0.323CS..Hα-helixtrans-64.2-39.8172-76.7-2.1000111.6V26 E27 L33 K34 I40 S43V26-D30 WeakPolarHBondContact O-CB 3.46Å; V26-D30 PolarHBondContact O-N 3.42Å; E27-D30 PolarHBondContact O-N 2.97Å; D30-L33 PolarHBondContact O-N 2.8Å; D30-K34 WeakPolarHBondContact O-CG 3.42Å; D30-K34 PolarHBondContact O-N 3.29Å; D30-K34 VanDerWaalsContact O-N 3.07Å; D30-I40 VanDerWaalsContact CA-CD1 3.47Å; D30-I40 HydrophobicContact CB-CD1 3.51Å; D30-I40 WeakPolarHBondContact O-CD1 3.48Å; D30-S43 PolarHBondContact OD1-OG 3.36Å; D30-S43 WeakPolarHBondContact OD2-CB 3.44Å; D30-S43 PolarHBondContact OD2-OG 2.66Å
31T95.3Very high94.2Very high68 Ų6857.8 Ų57.842%0.41731%0.311SS..Hα-helixtrans-65.4-44.1175.6-57.30000111.5E27 R28 F29 L33 K34 D35E27-T31 WeakPolarHBondContact O-CB 3.25Å; E27-T31 PolarHBondContact O-N 3.39Å; E27-T31 PolarHBondContact O-OG1 3.42Å; R28-T31 PolarHBondContact O-N 3.3Å; F29-T31 VanDerWaalsContact C-N 3.34Å; T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 2.9Å; T31-K34 PolarHBondContact O-N 2.9Å; T31-K34 VanDerWaalsContact O-N 3.14Å; T31-D35 WeakPolarHBondContact O-CB 3.21Å; T31-D35 VanDerWaalsContact O-CG 3.32Å; T31-D35 PolarHBondContact O-N 3.49Å
32I94Very high94.1Very high20 Ų2058.9 Ų58.910%0.10331%0.313CS..Hα-helixtrans-56.3-44.2176-72.4155.7000111.2R28 F29 N36 E79 L83R28-I32 HydrophobicContact CG-CD1 4Å; R28-I32 WeakPolarHBondContact O-CD1 3.44Å; R28-I32 VanDerWaalsContact O-CG1 3.31Å; R28-I32 WeakPolarHBondContact O-CG1 3.49Å; R28-I32 PolarHBondContact O-N 3.11Å; F29-I32 HydrophobicContact CD1-CD1 4.2Å; F29-I32 HydrophobicContact CE1-CD1 4.5Å; F29-I32 PolarHBondContact O-N 2.97Å; I32-N36 PolarHBondContact O-N 3.02Å; I32-N36 PolarHBondContact O-ND2 3.5Å; I32-E79 HydrophobicContact CG2-CB 4.48Å; I32-E79 HydrophobicContact CG2-CG 3.88Å; I32-L83 HydrophobicContact CD1-CD1 3.35Å; I32-L83 HydrophobicContact CG1-CD1 3.83Å; I32-L83 HydrophobicContact CG2-CD1 3.93Å
33L93.6Very high94.1Very high0 Ų059.1 Ų59.10%032%0.319CS..Hα-helixtrans-62.5-47.6177.3-73.6169000111I9 F29 D30 T31 N36 G37 A38 I40 V66 A76 F80I9-L33 HydrophobicContact CD1-CD1 4.03Å; I9-L33 HydrophobicContact CD1-CD2 3.84Å; F29-L33 WeakPolarHBondContact O-CG 3.42Å; F29-L33 PolarHBondContact O-N 2.79Å; F29-L33 VanDerWaalsContact O-N 3.11Å; D30-L33 PolarHBondContact O-N 2.8Å; T31-L33 VanDerWaalsContact C-N 3.28Å; T31-L33 PolarHBondContact O-N 2.9Å; L33-N36 PolarHBondContact O-N 2.78Å; L33-G37 PolarHBondContact O-N 2.61Å; L33-A38 HydrophobicContact CB-CB 4.19Å; L33-A38 VanDerWaalsContact O-CB 3.3Å; L33-A38 WeakPolarHBondContact O-CB 3.49Å; L33-A38 PolarHBondContact O-N 2.74Å; L33-I40 HydrophobicContact CB-CD1 4.16Å; L33-I40 HydrophobicContact CB-CG1 4.35Å; L33-I40 HydrophobicContact CD1-CD1 4.19Å; L33-V66 HydrophobicContact CD1-CG1 3.94Å; L33-A76 HydrophobicContact CD2-CB 4.27Å; L33-F80 HydrophobicContact CD1-CD2 3.99Å; L33-F80 HydrophobicContact CD1-CE2 4.42Å; L33-F80 HydrophobicContact CD2-CB 3.95Å; L33-F80 HydrophobicContact CD2-CD2 4.09Å; L33-F80 HydrophobicContact CD2-CG 4.36Å; L33-F80 HydrophobicContact CG-CD2 3.97Å
34K93.3Very high94.1Very high122 Ų12260.5 Ų60.553%0.5332%0.319SS..Hα-helixtrans-61.8-46.5179.2-71.5172.7-175171.20112.8D30 T31 N36 G37 A38 I40D30-K34 WeakPolarHBondContact O-CG 3.42Å; D30-K34 PolarHBondContact O-N 3.29Å; D30-K34 VanDerWaalsContact O-N 3.07Å; T31-K34 PolarHBondContact O-N 2.9Å; T31-K34 VanDerWaalsContact O-N 3.14Å; K34-N36 PolarHBondContact O-N 3.23Å; K34-G37 PolarHBondContact O-N 3.26Å; K34-A38 WeakPolarHBondContact CA-O 3.23Å; K34-I40 HydrophobicContact CG-CD1 4.25Å; K34-I40 HydrophobicContact CG-CG1 4.35Å
35D93.4Very high93.8Very high127 Ų12761.6 Ų61.668%0.67932%0.317SS*.Hα-helixtrans-62.5-28.8-179-73.7-9.2000112.6T31 G37T31-D35 WeakPolarHBondContact O-CB 3.21Å; T31-D35 VanDerWaalsContact O-CG 3.32Å; T31-D35 PolarHBondContact O-N 3.49Å; D35-G37 VanDerWaalsContact C-N 3.32Å
36N91.8Very high93.5Very high57 Ų5767.9 Ų67.931%0.30534%0.341SS..THydrogen-bonded Turntrans-92.612.5177.3-73.2-82.1000113.7I32 L33 K34 S75 A76I32-N36 PolarHBondContact O-N 3.02Å; I32-N36 PolarHBondContact O-ND2 3.5Å; L33-N36 PolarHBondContact O-N 2.78Å; K34-N36 PolarHBondContact O-N 3.23Å; N36-S75 PolarHBondContact O-OG 2.95Å; N36-A76 HydrophobicContact CB-CB 3.59Å
37G89.7Confident93.2Very high47 Ų4772.6 Ų72.649%0.48536%0.361SS..THydrogen-bonded Turntrans86.916.5172.300000115.3L33 K34 D35 P71L33-G37 PolarHBondContact O-N 2.61Å; K34-G37 PolarHBondContact O-N 3.26Å; D35-G37 VanDerWaalsContact C-N 3.32Å; G37-P71 VanDerWaalsContact O-CD 3.25Å; G37-P71 WeakPolarHBondContact O-CD 3.29Å
38A92.4Very high93.1Very high8 Ų871.5 Ų71.57%0.06636%0.355CS..PPolyproline II helixtrans-87142.4169.200000111.8L33 K34 A68 T69 A70 A76L33-A38 HydrophobicContact CB-CB 4.19Å; L33-A38 VanDerWaalsContact O-CB 3.3Å; L33-A38 WeakPolarHBondContact O-CB 3.49Å; L33-A38 PolarHBondContact O-N 2.74Å; K34-A38 WeakPolarHBondContact CA-O 3.23Å; A38-A68 HydrophobicContact CB-CB 4.45Å; A38-T69 CarbonylContact C-O 3.58Å; A38-T69 VanDerWaalsContact CA-O 3.22Å; A38-T69 WeakPolarHBondContact CA-O 3.34Å; A38-T69 WeakPolarHBondContact CB-O 3.47Å; A38-A70 HydrophobicContact CB-CB 3.98Å; A38-A76 HydrophobicContact CB-CB 3.58Å
39E92.6Very high93.1Very high128 Ų12870 Ų7060%0.59835%0.349SS*.EExtended strand (participates in β ladder)trans-99.6117.2171.3-176.8179.3-169.800109I41 A68 T69E39-I41 PolarHBondContact O-N 3.35Å; E39-A68 CarbonylContact O-C 3.54Å; E39-A68 VanDerWaalsContact O-CA 3.23Å; E39-A68 WeakPolarHBondContact O-CA 3.4Å; E39-T69 PolarHBondContact N-O 3Å; E39-T69 PolarHBondContact O-N 3.41Å
40I93.7Very high93Very high36 Ų3679.3 Ų79.319%0.18538%0.384CS..EExtended strand (participates in β ladder)trans-81.1120.2177.7-57.9-176.3000109D30 L33 K34 V66D30-I40 VanDerWaalsContact CA-CD1 3.47Å; D30-I40 HydrophobicContact CB-CD1 3.51Å; D30-I40 WeakPolarHBondContact O-CD1 3.48Å; L33-I40 HydrophobicContact CB-CD1 4.16Å; L33-I40 HydrophobicContact CB-CG1 4.35Å; L33-I40 HydrophobicContact CD1-CD1 4.19Å; K34-I40 HydrophobicContact CG-CD1 4.25Å; K34-I40 HydrophobicContact CG-CG1 4.35Å; I40-V66 HydrophobicContact CD1-CG1 4.45Å; I40-V66 HydrophobicContact CG2-CG1 3.95Å
41I93Very high93.1Very high105 Ų10579.2 Ų79.254%0.53838%0.383SS..EExtended strand (participates in β ladder)trans-83.9-44.3176-58.4162.4000110.3E39 N67 T69E39-I41 PolarHBondContact O-N 3.35Å; I41-N67 HydrophobicContact CB-CB 4.31Å; I41-N67 PolarHBondContact N-O 2.8Å; I41-T69 HydrophobicContact CD1-CG2 3.39Å; I41-T69 HydrophobicContact CG1-CG2 3.94Å
42D93.8Very high93.1Very high55 Ų5581 Ų8129%0.29441%0.405SS..EExtended strand (participates in β ladder)trans-150.6142.5-175.2-173.527.6000109.3K44 V66 N67D42-K44 WeakPolarHBondContact OD2-CD 3.24Å; D42-K44 WeakPolarHBondContact OD2-CE 3.48Å; D42-K44 IonicContact OD2-NZ 3.86Å; D42-K44 PolarHBondContact OD2-NZ 2.98Å; D42-V66 CarbonylContact O-C 3.46Å; D42-V66 WeakPolarHBondContact O-CA 3.33Å; D42-N67 HydrophobicContact CB-CB 4.13Å; D42-N67 PolarHBondContact N-O 2.8Å; D42-N67 PolarHBondContact O-N 3.1Å
43S95Very high93.1Very high39 Ų3986.4 Ų86.427%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-144.9110178.3-177.30000106.7D30 H64D30-S43 PolarHBondContact OD1-OG 3.36Å; D30-S43 WeakPolarHBondContact OD2-CB 3.44Å; D30-S43 PolarHBondContact OD2-OG 2.66Å; S43-H64 PolarHBondContact OG-NE2 3.23Å; S43-H64 VanDerWaalsContact OG-NE2 3.1Å
44K94.2Very high93.1Very high93 Ų9391.1 Ų91.140%0.40445%0.447SS..EExtended strand (participates in β ladder)trans-143.1140.7-169.766.5-177.8172.2-137.90113.8D42 H64 I65D42-K44 WeakPolarHBondContact OD2-CD 3.24Å; D42-K44 WeakPolarHBondContact OD2-CE 3.48Å; D42-K44 IonicContact OD2-NZ 3.86Å; D42-K44 PolarHBondContact OD2-NZ 2.98Å; K44-H64 VanDerWaalsContact C-CE1 3.4Å; K44-H64 PolarHBondContact N-NE2 3.03Å; K44-H64 PolarHBondContact O-ND1 2.94Å; K44-I65 HydrophobicContact CG-CB 4.48Å; K44-I65 PolarHBondContact N-O 3.36Å; K44-I65 PolarHBondContact O-N 2.95Å
45D91.4Very high93Very high79 Ų7986 Ų8642%0.42243%0.425SS..EExtended strand (participates in β ladder)trans-68.5130.4163.3-75.5-12.9000109.3K22 H64K22-D45 IonicContact NZ-OD2 2.76Å; K22-D45 PolarHBondContact NZ-OD2 3.41Å; D45-H64 IonicContact OD1-CE1 3.55Å; D45-H64 IonicContact OD1-CG 2.68Å; D45-H64 IonicContact OD1-ND1 3.19Å; D45-H64 PolarHBondContact OD1-ND1 2.96Å
46W89.2Confident92.9Very high140 Ų14085.8 Ų85.853%0.5342%0.424SS..EExtended strand (participates in β ladder)trans-94.3-81.2178.5-175.816.6000111.6R49 Y63 I65W46-R49 VanDerWaalsContact CH2-NH1 3.3Å; W46-Y63 WeakPolarHBondContact CB-O 3.41Å; W46-Y63 HydrophobicContact CE3-CD1 4.11Å; W46-Y63 HydrophobicContact CE3-CG 4.11Å; W46-Y63 HydrophobicContact CZ3-CD1 4.25Å; W46-Y63 PolarHBondContact N-O 2.9Å; W46-I65 HydrophobicContact CB-CD1 4.25Å; W46-I65 HydrophobicContact CB-CG1 4.47Å; W46-I65 HydrophobicContact CD2-CD1 3.97Å; W46-I65 HydrophobicContact CE3-CD1 3.73Å; W46-I65 HydrophobicContact CE3-CG1 4.4Å; W46-I65 HydrophobicContact CG-CD1 4.22Å; W46-I65 HydrophobicContact CZ3-CD1 4.33Å
47E89.8Confident92.9Very high117 Ų11785.7 Ų85.755%0.54744%0.436SS..EExtended strand (participates in β ladder)trans-160.5153.3179.4-162.3-177.3-173.500109.9R49 Y63E47-R49 HydrophobicContact CB-CG 4.04Å; E47-R49 HydrophobicContact CG-CG 4.31Å; E47-Y63 PolarHBondContact O-N 3.24Å
48K92.9Very high93.1Very high98 Ų9886 Ų8643%0.42642%0.424SS..EExtended strand (participates in β ladder)trans-78.7118.4164.4-175.9173.9175.9176.50109.3E60 G61 I62K48-E60 WeakPolarHBondContact CE-OE1 3.43Å; K48-E60 VanDerWaalsContact CE-OE2 3.23Å; K48-E60 WeakPolarHBondContact CE-OE2 3.46Å; K48-E60 IonicContact NZ-OE1 2.68Å; K48-E60 PolarHBondContact NZ-OE1 2.96Å; K48-E60 IonicContact NZ-OE2 3.69Å; K48-G61 WeakPolarHBondContact CA-O 3.26Å; K48-I62 HydrophobicContact CB-CG1 4.29Å; K48-I62 HydrophobicContact CG-CG1 4.29Å
49R94.6Very high93.2Very high108 Ų10892.9 Ų92.941%0.40845%0.448SS..EExtended strand (participates in β ladder)trans-127144.7-176-58.5179.469.4-174.81.6111.4W46 E47 E60 G61 Y63W46-R49 VanDerWaalsContact CH2-NH1 3.3Å; E47-R49 HydrophobicContact CB-CG 4.04Å; E47-R49 HydrophobicContact CG-CG 4.31Å; R49-E60 VanDerWaalsContact O-CA 3.24Å; R49-E60 WeakPolarHBondContact O-CA 3.3Å; R49-G61 PolarHBondContact N-O 3.35Å; R49-G61 PolarHBondContact O-N 2.88Å; R49-G61 VanDerWaalsContact O-N 3.07Å; R49-Y63 HydrophobicContact CB-CD2 4.07Å; R49-Y63 HydrophobicContact CB-CE2 3.81Å; R49-Y63 HydrophobicContact CG-CD2 4.23Å; R49-Y63 HydrophobicContact CG-CE2 4.39Å
50R94.9Very high93.3Very high198 Ų19890.4 Ų90.475%0.74744%0.437SS*.EExtended strand (participates in β ladder)trans-75.8132.7171.3-168.1-177.1175.9-163.9-2.6109.8R59R50-R59 CarbonylContact C-O 3.6Å; R50-R59 WeakPolarHBondContact CA-O 3.47Å; R50-R59 WeakPolarHBondContact CG-O 3.23Å
51F95.8Very high93.4Very high18 Ų1888.7 Ų88.78%0.07943%0.428CS..EExtended strand (participates in β ladder)trans-76.7156.2176.5-51.4-37.9000111.6I12 Y53 M55 F58 R59 E60 G61 Y63 I91I12-F51 HydrophobicContact CD1-CE1 4.1Å; I12-F51 HydrophobicContact CG2-CE1 3.69Å; I12-F51 HydrophobicContact CG2-CZ 3.48Å; I12-F51 VanDerWaalsContact CG2-CZ 3.48Å; F51-Y53 WeakPolarHBondContact CB-O 3.48Å; F51-Y53 PolarHBondContact O-N 2.83Å; F51-M55 HydrophobicContact CB-CE 4.23Å; F51-M55 HydrophobicContact CD1-CE 3.6Å; F51-M55 HydrophobicContact CD2-CB 4.37Å; F51-M55 HydrophobicContact CD2-CE 3.46Å; F51-M55 VanDerWaalsContact CD2-CE 3.46Å; F51-M55 HydrophobicContact CD2-CG 4.43Å; F51-M55 HydrophobicContact CE1-CE 3.7Å; F51-M55 HydrophobicContact CE2-CB 4.43Å; F51-M55 HydrophobicContact CE2-CE 3.55Å; F51-M55 HydrophobicContact CG-CE 3.49Å; F51-M55 VanDerWaalsContact CG-CE 3.49Å; F51-M55 HydrophobicContact CZ-CE 3.67Å; F51-F58 WeakPolarHBondContact CD2-O 3.17Å; F51-F58 HydrophobicContact CE2-CB 4.26Å; F51-R59 PolarHBondContact N-O 2.87Å; F51-E60 VanDerWaalsContact CE2-C 3.41Å; F51-E60 VanDerWaalsContact CE2-O 3.29Å; F51-E60 WeakPolarHBondContact CE2-O 3.5Å; F51-E60 WeakPolarHBondContact CZ-O 3.47Å; F51-G61 VanDerWaalsContact CZ-N 3.25Å; F51-Y63 HydrophobicContact CD1-CE2 4.46Å; F51-Y63 HydrophobicContact CE1-CE2 4Å; F51-I91 HydrophobicContact CE2-CD1 4.11Å; F51-I91 HydrophobicContact CZ-CD1 4.07Å
52A95.4Very high93.6Very high106 Ų10685.1 Ų85.188%0.87641%0.41SS*.EExtended strand (participates in β ladder)trans-68.5-25.9172.500000112.8
53Y95.1Very high93.7Very high133 Ų13384.6 Ų84.652%0.52240%0.404SS..EExtended strand (participates in β ladder)trans-147162.3178.454.7-90.1000110.2F51 M55 R92F51-Y53 WeakPolarHBondContact CB-O 3.48Å; F51-Y53 PolarHBondContact O-N 2.83Å; Y53-M55 HydrophobicContact CD2-CG 3.73Å; Y53-M55 HydrophobicContact CD2-SD 4.49Å; Y53-M55 HydrophobicContact CE2-CG 3.48Å; Y53-M55 VanDerWaalsContact CE2-CG 3.48Å; Y53-M55 HydrophobicContact CE2-SD 3.76Å; Y53-R92 PolarHBondContact OH-NH1 2.89Å; Y53-R92 PolarHBondContact OH-NH2 2.92Å
54E93.3Very high93.8Very high100 Ų10082.9 Ų82.947%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-71.2131.9179.9-162.6168.8129.500111G57 F58 R59E54-G57 WeakPolarHBondContact OE1-CA 3.4Å; E54-F58 WeakPolarHBondContact CA-O 3.36Å; E54-R59 HydrophobicContact CB-CG 4.36Å; E54-R59 HydrophobicContact CG-CG 4.09Å; E54-R59 IonicContact OE2-CZ 3.54Å; E54-R59 IonicContact OE2-NE 2.98Å; E54-R59 PolarHBondContact OE2-NE 3.3Å; E54-R59 IonicContact OE2-NH2 3.18Å; E54-R59 PolarHBondContact OE2-NH2 2.94Å
55M92Very high93.9Very high14 Ų1479.2 Ų79.27%0.06938%0.376CS..EExtended strand (participates in β ladder)trans-127.5123.3177.9-61.6-170.6-64.700108.6I12 F51 Y53 G57 F58 I91 R92I12-M55 HydrophobicContact CD1-CE 4.1Å; F51-M55 HydrophobicContact CB-CE 4.23Å; F51-M55 HydrophobicContact CD1-CE 3.6Å; F51-M55 HydrophobicContact CD2-CB 4.37Å; F51-M55 HydrophobicContact CD2-CE 3.46Å; F51-M55 VanDerWaalsContact CD2-CE 3.46Å; F51-M55 HydrophobicContact CD2-CG 4.43Å; F51-M55 HydrophobicContact CE1-CE 3.7Å; F51-M55 HydrophobicContact CE2-CB 4.43Å; F51-M55 HydrophobicContact CE2-CE 3.55Å; F51-M55 HydrophobicContact CG-CE 3.49Å; F51-M55 VanDerWaalsContact CG-CE 3.49Å; F51-M55 HydrophobicContact CZ-CE 3.67Å; Y53-M55 HydrophobicContact CD2-CG 3.73Å; Y53-M55 HydrophobicContact CD2-SD 4.49Å; Y53-M55 HydrophobicContact CE2-CG 3.48Å; Y53-M55 VanDerWaalsContact CE2-CG 3.48Å; Y53-M55 HydrophobicContact CE2-SD 3.76Å; M55-G57 PolarHBondContact O-N 3.31Å; M55-G57 VanDerWaalsContact O-N 3.14Å; M55-F58 PolarHBondContact N-O 3.07Å; M55-F58 PolarHBondContact O-N 2.79Å; M55-I91 HydrophobicContact CB-CG2 3.78Å; M55-I91 HydrophobicContact CE-CG2 4.27Å; M55-R92 HydrophobicContact SD-CG 4.36Å; M55-R92 PolarHBondContact SD-NE 3.14Å
56N89.4Confident94.1Very high123 Ų12375.5 Ų75.566%0.65836%0.356SS*.THydrogen-bonded Turntrans51.134.2-177.7-59.6-5000113.7F58N56-F58 VanDerWaalsContact C-N 3.3Å; N56-F58 HydrophobicContact CB-CD2 4.43Å; N56-F58 WeakPolarHBondContact O-CD2 3.43Å; N56-F58 PolarHBondContact O-N 3.18Å
57G92.2Very high94.4Very high55 Ų5570.2 Ų70.257%0.56734%0.339SS*.THydrogen-bonded Turntrans82.1-1.9-177.200000115.2E54 M55E54-G57 WeakPolarHBondContact OE1-CA 3.4Å; M55-G57 PolarHBondContact O-N 3.31Å; M55-G57 VanDerWaalsContact O-N 3.14Å
58F93.9Very high94.5Very high52 Ų5264.8 Ų64.823%0.22831%0.314CS..EExtended strand (participates in β ladder)trans-104143.9179-59.4-74.1000111.8R14 P15 F51 E54 M55 N56 I91R14-F58 HydrophobicContact CB-CE2 4.05Å; R14-F58 HydrophobicContact CB-CZ 4.09Å; P15-F58 VanDerWaalsContact CD-CD1 3.45Å; P15-F58 HydrophobicContact CG-CB 4.3Å; P15-F58 HydrophobicContact CG-CD1 3.46Å; P15-F58 VanDerWaalsContact CG-CD1 3.46Å; P15-F58 HydrophobicContact CG-CE1 4.03Å; P15-F58 HydrophobicContact CG-CG 4.08Å; F51-F58 WeakPolarHBondContact CD2-O 3.17Å; F51-F58 HydrophobicContact CE2-CB 4.26Å; E54-F58 WeakPolarHBondContact CA-O 3.36Å; M55-F58 PolarHBondContact N-O 3.07Å; M55-F58 PolarHBondContact O-N 2.79Å; N56-F58 VanDerWaalsContact C-N 3.3Å; N56-F58 HydrophobicContact CB-CD2 4.43Å; N56-F58 WeakPolarHBondContact O-CD2 3.43Å; N56-F58 PolarHBondContact O-N 3.18Å; F58-I91 HydrophobicContact CB-CD1 4.01Å; F58-I91 HydrophobicContact CD2-CD1 3.74Å; F58-I91 HydrophobicContact CD2-CG1 4.27Å; F58-I91 HydrophobicContact CG-CD1 4.09Å
59R95Very high94.5Very high153 Ų15360.9 Ų60.958%0.57730%0.298SS*.EExtended strand (participates in β ladder)trans-106.8-1176-65.5-177.6-179.7172.60.4113.3R50 F51 E54R50-R59 CarbonylContact C-O 3.6Å; R50-R59 WeakPolarHBondContact CA-O 3.47Å; R50-R59 WeakPolarHBondContact CG-O 3.23Å; F51-R59 PolarHBondContact N-O 2.87Å; E54-R59 HydrophobicContact CB-CG 4.36Å; E54-R59 HydrophobicContact CG-CG 4.09Å; E54-R59 IonicContact OE2-CZ 3.54Å; E54-R59 IonicContact OE2-NE 2.98Å; E54-R59 PolarHBondContact OE2-NE 3.3Å; E54-R59 IonicContact OE2-NH2 3.18Å; E54-R59 PolarHBondContact OE2-NH2 2.94Å
60E95.5Very high94.3Very high77 Ų7755.7 Ų55.736%0.3628%0.279SS..EExtended strand (participates in β ladder)trans-150.8160.2-179.653.9174.2-153.600109.2P15 K48 R49 F51P15-E60 HydrophobicContact CB-CG 3.83Å; P15-E60 WeakPolarHBondContact CD-O 3.47Å; P15-E60 HydrophobicContact CG-CG 4.02Å; P15-E60 VanDerWaalsContact CG-O 3.27Å; P15-E60 WeakPolarHBondContact CG-O 3.47Å; K48-E60 WeakPolarHBondContact CE-OE1 3.43Å; K48-E60 VanDerWaalsContact CE-OE2 3.23Å; K48-E60 WeakPolarHBondContact CE-OE2 3.46Å; K48-E60 IonicContact NZ-OE1 2.68Å; K48-E60 PolarHBondContact NZ-OE1 2.96Å; K48-E60 IonicContact NZ-OE2 3.69Å; R49-E60 VanDerWaalsContact O-CA 3.24Å; R49-E60 WeakPolarHBondContact O-CA 3.3Å; F51-E60 VanDerWaalsContact CE2-C 3.41Å; F51-E60 VanDerWaalsContact CE2-O 3.29Å; F51-E60 WeakPolarHBondContact CE2-O 3.5Å; F51-E60 WeakPolarHBondContact CZ-O 3.47Å
61G96Very high93.8Very high0 Ų048.5 Ų48.50%026%0.258CS..EExtended strand (participates in β ladder)trans-162.1165.6175.800000111.3I13 K48 R49 F51I13-G61 WeakPolarHBondContact O-CA 3.38Å; K48-G61 WeakPolarHBondContact CA-O 3.26Å; R49-G61 PolarHBondContact N-O 3.35Å; R49-G61 PolarHBondContact O-N 2.88Å; R49-G61 VanDerWaalsContact O-N 3.07Å; F51-G61 VanDerWaalsContact CZ-N 3.25Å
62I96.1Very high93Very high30 Ų3052 Ų5215%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-96.4118.8-179.5-58.3164.6000107.2I12 I13 I17 K48I12-I62 WeakPolarHBondContact CA-O 3.49Å; I13-I62 HydrophobicContact CB-CB 4.37Å; I13-I62 PolarHBondContact N-O 2.8Å; I13-I62 PolarHBondContact O-N 3.29Å; I17-I62 HydrophobicContact CG2-CD1 4.41Å; K48-I62 HydrophobicContact CB-CG1 4.29Å; K48-I62 HydrophobicContact CG-CG1 4.29Å
63Y96.4Very high92.2Very high43 Ų4351.9 Ų51.917%0.16927%0.269CS..EExtended strand (participates in β ladder)trans-84134.6177.5-75.6-104.7000110.1T10 I12 W46 E47 R49 F51T10-Y63 HydrophobicContact CG2-CD1 4.07Å; I12-Y63 HydrophobicContact CD1-CD1 4.41Å; I12-Y63 HydrophobicContact CD1-CE1 3.61Å; I12-Y63 HydrophobicContact CD1-CE2 4.31Å; I12-Y63 WeakPolarHBondContact CD1-OH 3.36Å; I12-Y63 HydrophobicContact CG1-CD1 3.92Å; I12-Y63 HydrophobicContact CG1-CE1 3.63Å; I12-Y63 HydrophobicContact CG1-CE2 4.38Å; I12-Y63 HydrophobicContact CG1-CG 4.44Å; W46-Y63 WeakPolarHBondContact CB-O 3.41Å; W46-Y63 HydrophobicContact CE3-CD1 4.11Å; W46-Y63 HydrophobicContact CE3-CG 4.11Å; W46-Y63 HydrophobicContact CZ3-CD1 4.25Å; W46-Y63 PolarHBondContact N-O 2.9Å; E47-Y63 PolarHBondContact O-N 3.24Å; R49-Y63 HydrophobicContact CB-CD2 4.07Å; R49-Y63 HydrophobicContact CB-CE2 3.81Å; R49-Y63 HydrophobicContact CG-CD2 4.23Å; R49-Y63 HydrophobicContact CG-CE2 4.39Å; F51-Y63 HydrophobicContact CD1-CE2 4.46Å; F51-Y63 HydrophobicContact CE1-CE2 4Å
64H96.5Very high91.4Very high4 Ų446.5 Ų46.52%0.01925%0.252CS..EExtended strand (participates in β ladder)trans-129.2137.9173.6-168.397.7000109.3T10 Y11 I13 S43 K44 D45T10-H64 WeakPolarHBondContact CA-O 3.22Å; Y11-H64 HydrophobicContact CD2-CB 4.24Å; Y11-H64 HydrophobicContact CE1-CB 4.16Å; Y11-H64 AromaticContact CE1-CD2 3.5Å; Y11-H64 VanDerWaalsContact CE1-CD2 3.5Å; Y11-H64 WeakPolarHBondContact CE1-CD2 3.49Å; Y11-H64 HydrophobicContact CE2-CB 3.79Å; Y11-H64 AromaticContact CZ-CD2 3.32Å; Y11-H64 AromaticContact CZ-CG 3.66Å; Y11-H64 PolarHBondContact N-O 3Å; Y11-H64 PolarHBondContact O-N 3.46Å; Y11-H64 PolarHBondContact OH-CD2 3.46Å; Y11-H64 PolarHBondContact OH-NE2 3.26Å; I13-H64 HydrophobicContact CD1-CB 4.29Å; S43-H64 PolarHBondContact OG-NE2 3.23Å; S43-H64 VanDerWaalsContact OG-NE2 3.1Å; K44-H64 VanDerWaalsContact C-CE1 3.4Å; K44-H64 PolarHBondContact N-NE2 3.03Å; K44-H64 PolarHBondContact O-ND1 2.94Å; D45-H64 IonicContact OD1-CE1 3.55Å; D45-H64 IonicContact OD1-CG 2.68Å; D45-H64 IonicContact OD1-ND1 3.19Å; D45-H64 PolarHBondContact OD1-ND1 2.96Å
65I96.5Very high91.2Very high16 Ų1644.1 Ų44.18%0.08225%0.246CC..EExtended strand (participates in β ladder)trans-124.5129.1-175.8-57.7175.3000108.9E8 I9 T10 K44 W46E8-I65 HydrophobicContact CG-CG2 3.8Å; I9-I65 CarbonylContact O-C 3.48Å; I9-I65 WeakPolarHBondContact O-CA 3.3Å; T10-I65 HydrophobicContact CG2-CG1 4.26Å; K44-I65 HydrophobicContact CG-CB 4.48Å; K44-I65 PolarHBondContact N-O 3.36Å; K44-I65 PolarHBondContact O-N 2.95Å; W46-I65 HydrophobicContact CB-CD1 4.25Å; W46-I65 HydrophobicContact CB-CG1 4.47Å; W46-I65 HydrophobicContact CD2-CD1 3.97Å; W46-I65 HydrophobicContact CE3-CD1 3.73Å; W46-I65 HydrophobicContact CE3-CG1 4.4Å; W46-I65 HydrophobicContact CG-CD1 4.22Å; W46-I65 HydrophobicContact CZ3-CD1 4.33Å
66V95.8Very high91.1Very high0 Ų043.4 Ų43.40%024%0.243CC..EExtended strand (participates in β ladder)trans-120.9125.2175.6-176.70000109.1I9 Y11 L33 I40 D42I9-V66 HydrophobicContact CB-CB 4.37Å; I9-V66 PolarHBondContact N-O 3.05Å; I9-V66 PolarHBondContact O-N 2.9Å; Y11-V66 HydrophobicContact CE1-CG2 3.83Å; L33-V66 HydrophobicContact CD1-CG1 3.94Å; I40-V66 HydrophobicContact CD1-CG1 4.45Å; I40-V66 HydrophobicContact CG2-CG1 3.95Å; D42-V66 CarbonylContact O-C 3.46Å; D42-V66 WeakPolarHBondContact O-CA 3.33Å
67N94.8Very high91.3Very high30 Ų3038.1 Ų38.116%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-101.2122.9169.9-69-54.1000108.7Y7 I41 D42Y7-N67 WeakPolarHBondContact O-CA 3.48Å; I41-N67 HydrophobicContact CB-CB 4.31Å; I41-N67 PolarHBondContact N-O 2.8Å; D42-N67 HydrophobicContact CB-CB 4.13Å; D42-N67 PolarHBondContact N-O 2.8Å; D42-N67 PolarHBondContact O-N 3.1Å
68A93.5Very high91.3Very high3 Ų340 Ų403%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-136.4150.9-179.100000111.5Y7 A38 E39Y7-A68 PolarHBondContact N-O 3.31Å; Y7-A68 PolarHBondContact O-N 3.2Å; A38-A68 HydrophobicContact CB-CB 4.45Å; E39-A68 CarbonylContact O-C 3.54Å; E39-A68 VanDerWaalsContact O-CA 3.23Å; E39-A68 WeakPolarHBondContact O-CA 3.4Å
69T92.6Very high91.3Very high15 Ų1540 Ų409%0.09221%0.212CC..EExtended strand (participates in β ladder)trans-104.3137.1164.683.30000109.2N4 T5 K6 A38 E39 I41N4-T69 PolarHBondContact ND2-OG1 3.19Å; T5-T69 WeakPolarHBondContact O-CA 3.37Å; K6-T69 HydrophobicContact CG-CG2 4.1Å; A38-T69 CarbonylContact C-O 3.58Å; A38-T69 VanDerWaalsContact CA-O 3.22Å; A38-T69 WeakPolarHBondContact CA-O 3.34Å; A38-T69 WeakPolarHBondContact CB-O 3.47Å; E39-T69 PolarHBondContact N-O 3Å; E39-T69 PolarHBondContact O-N 3.41Å; I41-T69 HydrophobicContact CD1-CG2 3.39Å; I41-T69 HydrophobicContact CG1-CG2 3.94Å
70A89.4Confident91.3Very high0 Ų032.7 Ų32.70%019%0.185CC..EExtended strand (participates in β ladder)trans-137153.817700000110.7N4 T5 Y7 A38N4-A70 WeakPolarHBondContact CA-O 3.24Å; T5-A70 PolarHBondContact N-O 2.86Å; T5-A70 PolarHBondContact O-N 2.68Å; Y7-A70 HydrophobicContact CD2-CB 4.21Å; Y7-A70 HydrophobicContact CE2-CB 4.05Å; A38-A70 HydrophobicContact CB-CB 3.98Å
71P85.3Confident91.3Very high47 Ų4731.1 Ų31.131%0.30518%0.179SC..  trans-55.5151.1168.9-23.233000111.3G37 T73 A74G37-P71 VanDerWaalsContact O-CD 3.25Å; G37-P71 WeakPolarHBondContact O-CD 3.29Å; P71-T73 PolarHBondContact O-N 3.09Å; P71-A74 PolarHBondContact O-N 3.35Å
72T77.7Confident91.3Very high92 Ų9237.1 Ų37.156%0.56420%0.202SC*.THydrogen-bonded Turntrans-58.7-14-177.6-34.30000114Q3 A74Q3-T72 PolarHBondContact O-OG1 3.2Å; T72-A74 PolarHBondContact O-N 2.89Å
73T79.3Confident91.3Very high103 Ų10336.8 Ų36.863%0.63220%0.2SC*.THydrogen-bonded Turntrans-64.1-14.6174.451.90000113.4P71 S75P71-T73 PolarHBondContact O-N 3.09Å; T73-S75 PolarHBondContact O-N 2.95Å
74A79.1Confident91.3Very high20 Ų2034.8 Ų34.817%0.16519%0.193CC..  trans55.420.1177.700000114.7P71 T72 A76 V77 N78P71-A74 PolarHBondContact O-N 3.35Å; T72-A74 PolarHBondContact O-N 2.89Å; A74-A76 PolarHBondContact O-N 2.77Å; A74-V77 PolarHBondContact O-N 2.85Å; A74-N78 WeakPolarHBondContact O-CB 3.36Å; A74-N78 PolarHBondContact O-N 3.44Å; A74-N78 PolarHBondContact O-ND2 3.5Å; A74-N78 VanDerWaalsContact O-ND2 3.16Å
75S88.2Confident91.2Very high49 Ų4941.1 Ų41.134%0.34322%0.22SC..Hα-helixtrans-58.4-48.7-178.2450000112.2N36 T73 V77 N78 E79N36-S75 PolarHBondContact O-OG 2.95Å; T73-S75 PolarHBondContact O-N 2.95Å; S75-V77 PolarHBondContact O-N 2.82Å; S75-N78 PolarHBondContact O-N 2.77Å; S75-E79 WeakPolarHBondContact O-CB 3.34Å; S75-E79 PolarHBondContact O-N 2.75Å
76A90.8Very high91.1Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-62.7-43.4-179.600000113.1L33 N36 A38 A74 E79 F80L33-A76 HydrophobicContact CD2-CB 4.27Å; N36-A76 HydrophobicContact CB-CB 3.59Å; A38-A76 HydrophobicContact CB-CB 3.58Å; A74-A76 PolarHBondContact O-N 2.77Å; A76-E79 PolarHBondContact O-N 3.37Å; A76-F80 WeakPolarHBondContact O-CB 3.24Å; A76-F80 PolarHBondContact O-N 3.01Å
77V92.4Very high91Very high12 Ų1246.9 Ų46.97%0.07325%0.25CC..Hα-helixtrans-67.4-42.1-179.8173.50000111.3Y7 A74 S75 E79 F80 D81 I95Y7-V77 HydrophobicContact CD1-CG2 4.13Å; Y7-V77 HydrophobicContact CD2-CG2 3.81Å; Y7-V77 HydrophobicContact CE1-CG2 4.31Å; Y7-V77 HydrophobicContact CE2-CG2 4Å; Y7-V77 HydrophobicContact CG-CG2 3.87Å; A74-V77 PolarHBondContact O-N 2.85Å; S75-V77 PolarHBondContact O-N 2.82Å; V77-E79 VanDerWaalsContact C-N 3.35Å; V77-F80 PolarHBondContact O-N 2.95Å; V77-D81 WeakPolarHBondContact O-CB 3.49Å; V77-D81 PolarHBondContact O-N 2.96Å; V77-I95 HydrophobicContact CG1-CB 4.31Å; V77-I95 HydrophobicContact CG1-CD1 3.62Å; V77-I95 HydrophobicContact CG1-CG1 4.46Å; V77-I95 HydrophobicContact CG1-CG2 3.31Å
78N92.6Very high90.9Very high95 Ų9552.7 Ų52.751%0.50828%0.281SS..Hα-helixtrans-65.9-38.2177.2-69.6-23.5000111.8A74 S75 D81 R82A74-N78 WeakPolarHBondContact O-CB 3.36Å; A74-N78 PolarHBondContact O-N 3.44Å; A74-N78 PolarHBondContact O-ND2 3.5Å; A74-N78 VanDerWaalsContact O-ND2 3.16Å; S75-N78 PolarHBondContact O-N 2.77Å; N78-D81 PolarHBondContact O-N 3.48Å; N78-R82 WeakPolarHBondContact O-CB 3.27Å; N78-R82 PolarHBondContact O-N 3.24Å
79E93.8Very high91Very high50 Ų5054.3 Ų54.323%0.23429%0.289CS..Hα-helixtrans-70.2-39.6177-175.861.7-178.700111.8I32 S75 A76 V77 R82 L83I32-E79 HydrophobicContact CG2-CB 4.48Å; I32-E79 HydrophobicContact CG2-CG 3.88Å; S75-E79 WeakPolarHBondContact O-CB 3.34Å; S75-E79 PolarHBondContact O-N 2.75Å; A76-E79 PolarHBondContact O-N 3.37Å; V77-E79 VanDerWaalsContact C-N 3.35Å; E79-R82 PolarHBondContact O-N 3.05Å; E79-R82 IonicContact OE1-CZ 3.56Å; E79-R82 IonicContact OE1-NE 3.59Å; E79-R82 IonicContact OE1-NH2 2.7Å; E79-R82 PolarHBondContact OE1-NH2 2.82Å; E79-R82 IonicContact OE2-CZ 3.55Å; E79-R82 IonicContact OE2-NE 2.81Å; E79-R82 PolarHBondContact OE2-NE 2.79Å; E79-R82 IonicContact OE2-NH2 3.44Å; E79-R82 PolarHBondContact OE2-NH2 2.76Å; E79-L83 HydrophobicContact CG-CD1 4.11Å; E79-L83 WeakPolarHBondContact O-CB 3.43Å; E79-L83 WeakPolarHBondContact O-CG 3.47Å; E79-L83 PolarHBondContact O-N 2.89Å
80F95.4Very high91.2Very high0 Ų054.1 Ų54.10%029%0.287CS..Hα-helixtrans-56.2-50.9169.7-177.5-74.8000110.9I9 Y11 F29 L33 A76 V77 R82 L83 A84 H93 I95I9-F80 HydrophobicContact CD1-CD1 4.38Å; I9-F80 HydrophobicContact CD1-CD2 4.22Å; I9-F80 HydrophobicContact CD1-CG 4.15Å; I9-F80 HydrophobicContact CG2-CD1 3.9Å; I9-F80 HydrophobicContact CG2-CE1 3.35Å; I9-F80 HydrophobicContact CG2-CE2 4.02Å; I9-F80 HydrophobicContact CG2-CZ 3.44Å; I9-F80 VanDerWaalsContact CG2-CZ 3.44Å; Y11-F80 HydrophobicContact CD1-CE2 4.43Å; Y11-F80 AromaticContact CD1-CZ 3.67Å; Y11-F80 HydrophobicContact CD1-CZ 3.67Å; Y11-F80 HydrophobicContact CE1-CE2 4.32Å; Y11-F80 HydrophobicContact CE1-CZ 4Å; Y11-F80 HydrophobicContact CG-CZ 4.24Å; F29-F80 HydrophobicContact CB-CD2 4.33Å; F29-F80 HydrophobicContact CB-CE2 3.83Å; F29-F80 AromaticContact CD1-CD2 3.54Å; F29-F80 HydrophobicContact CD1-CD2 3.54Å; F29-F80 AromaticContact CD1-CE2 3.37Å; F29-F80 HydrophobicContact CD1-CE2 3.37Å; F29-F80 HydrophobicContact CD1-CG 4.26Å; F29-F80 AromaticContact CD1-CZ 3.93Å; F29-F80 HydrophobicContact CD1-CZ 3.93Å; F29-F80 HydrophobicContact CE1-CD2 4.34Å; F29-F80 HydrophobicContact CE1-CE2 4.22Å; F29-F80 HydrophobicContact CE1-CZ 4.4Å; F29-F80 HydrophobicContact CG-CD2 4.35Å; F29-F80 AromaticContact CG-CE2 3.87Å; F29-F80 HydrophobicContact CG-CE2 3.87Å; F29-F80 HydrophobicContact CG-CZ 4.47Å; L33-F80 HydrophobicContact CD1-CD2 3.99Å; L33-F80 HydrophobicContact CD1-CE2 4.42Å; L33-F80 HydrophobicContact CD2-CB 3.95Å; L33-F80 HydrophobicContact CD2-CD2 4.09Å; L33-F80 HydrophobicContact CD2-CG 4.36Å; L33-F80 HydrophobicContact CG-CD2 3.97Å; A76-F80 WeakPolarHBondContact O-CB 3.24Å; A76-F80 PolarHBondContact O-N 3.01Å; V77-F80 PolarHBondContact O-N 2.95Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.7Å; F80-L83 PolarHBondContact O-N 2.65Å; F80-A84 HydrophobicContact CD1-CB 4.21Å; F80-A84 HydrophobicContact CE1-CB 3.88Å; F80-A84 VanDerWaalsContact O-CB 3.23Å; F80-A84 WeakPolarHBondContact O-CB 3.35Å; F80-A84 PolarHBondContact O-N 2.98Å; F80-H93 HydrophobicContact CE1-CB 4.27Å; F80-I95 HydrophobicContact CD1-CD1 4.14Å
81D95.2Very high91.5Very high44 Ų4454.8 Ų54.824%0.23529%0.291CS..Hα-helixtrans-57.2-43.9179.417664.8000111.9V77 N78 K85 H93 I95V77-D81 WeakPolarHBondContact O-CB 3.49Å; V77-D81 PolarHBondContact O-N 2.96Å; N78-D81 PolarHBondContact O-N 3.48Å; D81-K85 VanDerWaalsContact CG-NZ 3.31Å; D81-K85 WeakPolarHBondContact O-CD 3.33Å; D81-K85 VanDerWaalsContact O-CG 3.25Å; D81-K85 WeakPolarHBondContact O-CG 3.35Å; D81-K85 PolarHBondContact O-N 3.23Å; D81-K85 WeakPolarHBondContact OD1-CE 3.48Å; D81-K85 IonicContact OD1-NZ 2.8Å; D81-K85 PolarHBondContact OD1-NZ 2.83Å; D81-K85 WeakPolarHBondContact OD2-CE 3.29Å; D81-K85 IonicContact OD2-NZ 2.75Å; D81-K85 PolarHBondContact OD2-NZ 2.86Å; D81-H93 IonicContact OD1-CD2 3.13Å; D81-H93 IonicContact OD1-CE1 2.66Å; D81-H93 IonicContact OD1-NE2 2.7Å; D81-H93 PolarHBondContact OD1-NE2 3.47Å; D81-I95 HydrophobicContact CB-CD1 3.86Å
82R95.5Very high91.9Very high127 Ų12758.2 Ų58.248%0.47930%0.298SS..Hα-helixtrans-62.6-46.8178.4-170.4-175.173.886.6-1.3112N78 E79 F80N78-R82 WeakPolarHBondContact O-CB 3.27Å; N78-R82 PolarHBondContact O-N 3.24Å; E79-R82 PolarHBondContact O-N 3.05Å; E79-R82 IonicContact OE1-CZ 3.56Å; E79-R82 IonicContact OE1-NE 3.59Å; E79-R82 IonicContact OE1-NH2 2.7Å; E79-R82 PolarHBondContact OE1-NH2 2.82Å; E79-R82 IonicContact OE2-CZ 3.55Å; E79-R82 IonicContact OE2-NE 2.81Å; E79-R82 PolarHBondContact OE2-NE 2.79Å; E79-R82 IonicContact OE2-NH2 3.44Å; E79-R82 PolarHBondContact OE2-NH2 2.76Å; F80-R82 VanDerWaalsContact C-N 3.32Å; F80-R82 PolarHBondContact O-N 2.7Å
83L96.2Very high92.8Very high22 Ų2255.9 Ų55.912%0.11528%0.28CS..Hα-helixtrans-75.3-33.7-177.1-69178.5000112.6F29 I32 E79 F80 I86 N87F29-L83 HydrophobicContact CE1-CB 4.01Å; F29-L83 HydrophobicContact CZ-CB 4.42Å; I32-L83 HydrophobicContact CD1-CD1 3.35Å; I32-L83 HydrophobicContact CG1-CD1 3.83Å; I32-L83 HydrophobicContact CG2-CD1 3.93Å; E79-L83 HydrophobicContact CG-CD1 4.11Å; E79-L83 WeakPolarHBondContact O-CB 3.43Å; E79-L83 WeakPolarHBondContact O-CG 3.47Å; E79-L83 PolarHBondContact O-N 2.89Å; F80-L83 PolarHBondContact O-N 2.65Å; L83-I86 HydrophobicContact CD2-CD1 3.95Å; L83-I86 VanDerWaalsContact O-CG1 3.27Å; L83-I86 WeakPolarHBondContact O-CG1 3.37Å; L83-I86 PolarHBondContact O-N 2.92Å; L83-N87 WeakPolarHBondContact O-CB 3.37Å; L83-N87 PolarHBondContact O-N 2.87Å
84A96.1Very high93.6Very high2 Ų256.3 Ų56.32%0.01728%0.276CS..Hα-helixtrans-65.2-38176.100000112F29 F80 I86 N87 I90 H93F29-A84 HydrophobicContact CE1-CB 4.09Å; F29-A84 HydrophobicContact CZ-CB 4.37Å; F80-A84 HydrophobicContact CD1-CB 4.21Å; F80-A84 HydrophobicContact CE1-CB 3.88Å; F80-A84 VanDerWaalsContact O-CB 3.23Å; F80-A84 WeakPolarHBondContact O-CB 3.35Å; F80-A84 PolarHBondContact O-N 2.98Å; A84-I86 VanDerWaalsContact C-N 3.27Å; A84-I86 PolarHBondContact O-N 3.26Å; A84-N87 PolarHBondContact O-N 2.88Å; A84-I90 HydrophobicContact CB-CD1 4.04Å; A84-I90 HydrophobicContact CB-CG2 4.45Å; A84-H93 HydrophobicContact CB-CB 4.4Å
85K94.3Very high94.4Very high137 Ų13757.6 Ų57.660%0.59628%0.28SS*.Hα-helixtrans-63.8-27.3178.2-76.4170.9177.71630114.7D81D81-K85 VanDerWaalsContact CG-NZ 3.31Å; D81-K85 WeakPolarHBondContact O-CD 3.33Å; D81-K85 VanDerWaalsContact O-CG 3.25Å; D81-K85 WeakPolarHBondContact O-CG 3.35Å; D81-K85 PolarHBondContact O-N 3.23Å; D81-K85 WeakPolarHBondContact OD1-CE 3.48Å; D81-K85 IonicContact OD1-NZ 2.8Å; D81-K85 PolarHBondContact OD1-NZ 2.83Å; D81-K85 WeakPolarHBondContact OD2-CE 3.29Å; D81-K85 IonicContact OD2-NZ 2.75Å; D81-K85 PolarHBondContact OD2-NZ 2.86Å
86I95Very high94.7Very high116 Ų11658 Ų5860%0.59528%0.281SS*.THydrogen-bonded Turntrans-102.9-1.1-176.964171.7000112.7L83 A84L83-I86 HydrophobicContact CD2-CD1 3.95Å; L83-I86 VanDerWaalsContact O-CG1 3.27Å; L83-I86 WeakPolarHBondContact O-CG1 3.37Å; L83-I86 PolarHBondContact O-N 2.92Å; A84-I86 VanDerWaalsContact C-N 3.27Å; A84-I86 PolarHBondContact O-N 3.26Å
87N94Very high94.7Very high20 Ų2063.8 Ų63.811%0.10731%0.306CS..  trans-94.2116.5-178.3-170.4-48.5000109.8L25 F29 L83 A84 D89 I90L25-N87 VanDerWaalsContact CD1-ND2 3.3Å; L25-N87 WeakPolarHBondContact CD1-ND2 3.45Å; F29-N87 HydrophobicContact CZ-CB 4.2Å; L83-N87 WeakPolarHBondContact O-CB 3.37Å; L83-N87 PolarHBondContact O-N 2.87Å; A84-N87 PolarHBondContact O-N 2.88Å; N87-D89 PolarHBondContact O-N 3Å; N87-D89 WeakPolarHBondContact OD1-CA 3.38Å; N87-D89 VanDerWaalsContact OD1-CB 3.23Å; N87-D89 WeakPolarHBondContact OD1-CB 3.13Å; N87-D89 PolarHBondContact OD1-N 3.45Å; N87-I90 PolarHBondContact O-N 3.25Å; N87-I90 VanDerWaalsContact O-N 3.09Å
88D93.2Very high94.6Very high152 Ų15266.3 Ų66.381%0.81332%0.318SS*.THydrogen-bonded Turntrans-65.6-18.9-178.1-64.6-32.9000113.7I90D88-I90 VanDerWaalsContact C-N 3.34Å
89D95.5Very high94Very high38 Ų3869.9 Ų69.920%0.20333%0.332CS..THydrogen-bonded Turntrans-77.8-21.2176.3-56.8-43000112.3I13 R14 I17 L25 N87I13-D89 CarbonylContact C-O 3.55Å; I13-D89 WeakPolarHBondContact CA-O 3.19Å; R14-D89 IonicContact CZ-OD1 3.72Å; R14-D89 PolarHBondContact N-O 3.25Å; R14-D89 IonicContact NE-OD1 2.65Å; R14-D89 PolarHBondContact NE-OD1 2.77Å; R14-D89 IonicContact NH2-OD1 3.54Å; R14-D89 PolarHBondContact NH2-OD1 2.88Å; I17-D89 HydrophobicContact CD1-CB 4.14Å; L25-D89 HydrophobicContact CD1-CB 4.08Å; L25-D89 HydrophobicContact CD2-CB 3.79Å; N87-D89 PolarHBondContact O-N 3Å; N87-D89 WeakPolarHBondContact OD1-CA 3.38Å; N87-D89 VanDerWaalsContact OD1-CB 3.23Å; N87-D89 WeakPolarHBondContact OD1-CB 3.13Å; N87-D89 PolarHBondContact OD1-N 3.45Å
90I95.8Very high92.3Very high10 Ų1078 Ų785%0.05137%0.37CS..EExtended strand (participates in β ladder)trans-98.4114.3178.7-62.5-176.6000109.7Y11 I12 L25 F29 A84 N87 D88 H93Y11-I90 HydrophobicContact CD2-CD1 4.08Å; Y11-I90 HydrophobicContact CD2-CG1 4.31Å; I12-I90 CarbonylContact O-C 3.56Å; I12-I90 WeakPolarHBondContact O-CA 3.4Å; L25-I90 HydrophobicContact CD2-CG1 4.29Å; F29-I90 HydrophobicContact CD2-CD1 3.99Å; F29-I90 HydrophobicContact CE1-CD1 4.03Å; F29-I90 HydrophobicContact CE2-CD1 3.35Å; F29-I90 HydrophobicContact CE2-CG1 4.34Å; F29-I90 HydrophobicContact CZ-CD1 3.37Å; A84-I90 HydrophobicContact CB-CD1 4.04Å; A84-I90 HydrophobicContact CB-CG2 4.45Å; N87-I90 PolarHBondContact O-N 3.25Å; N87-I90 VanDerWaalsContact O-N 3.09Å; D88-I90 VanDerWaalsContact C-N 3.34Å; I90-H93 HydrophobicContact CG2-CB 4.49Å
91I95.3Very high92.1Very high14 Ų1482 Ų827%0.07239%0.388CS..EExtended strand (participates in β ladder)trans-74.9-44.6179.4-62.5174.5000110.5I12 R14 F51 M55 F58I12-I91 HydrophobicContact CB-CB 4.37Å; I12-I91 HydrophobicContact CG2-CB 4.2Å; I12-I91 HydrophobicContact CG2-CD1 4.27Å; I12-I91 PolarHBondContact O-N 3.07Å; R14-I91 HydrophobicContact CB-CD1 4.2Å; R14-I91 HydrophobicContact CB-CG1 4.31Å; F51-I91 HydrophobicContact CE2-CD1 4.11Å; F51-I91 HydrophobicContact CZ-CD1 4.07Å; M55-I91 HydrophobicContact CB-CG2 3.78Å; M55-I91 HydrophobicContact CE-CG2 4.27Å; F58-I91 HydrophobicContact CB-CD1 4.01Å; F58-I91 HydrophobicContact CD2-CD1 3.74Å; F58-I91 HydrophobicContact CD2-CG1 4.27Å; F58-I91 HydrophobicContact CG-CD1 4.09Å
92R95.2Very high92Very high119 Ų11983.9 Ų83.945%0.44940%0.396SS..EExtended strand (participates in β ladder)trans-156.4156.3178.6-74.7-167.7-179.81774.8110.6Y11 I12 Y53 M55Y11-R92 CarbonylContact C-O 3.54Å; Y11-R92 VanDerWaalsContact CA-O 3.29Å; Y11-R92 WeakPolarHBondContact CA-O 3.48Å; I12-R92 HydrophobicContact CD1-CB 4.29Å; I12-R92 PolarHBondContact N-O 2.94Å; Y53-R92 PolarHBondContact OH-NH1 2.89Å; Y53-R92 PolarHBondContact OH-NH2 2.92Å; M55-R92 HydrophobicContact SD-CG 4.36Å; M55-R92 PolarHBondContact SD-NE 3.14Å
93H96.5Very high91.8Very high43 Ų4381.6 Ų81.620%0.19939%0.392CS..EExtended strand (participates in β ladder)trans-139.7155.7169.864.8-65.5000110.7T10 F80 D81 A84 I90T10-H93 CarbonylContact O-C 3.56Å; T10-H93 VanDerWaalsContact O-CA 3.24Å; T10-H93 WeakPolarHBondContact O-CA 3.23Å; F80-H93 HydrophobicContact CE1-CB 4.27Å; D81-H93 IonicContact OD1-CD2 3.13Å; D81-H93 IonicContact OD1-CE1 2.66Å; D81-H93 IonicContact OD1-NE2 2.7Å; D81-H93 PolarHBondContact OD1-NE2 3.47Å; A84-H93 HydrophobicContact CB-CB 4.4Å; I90-H93 HydrophobicContact CG2-CB 4.49Å
94M95.9Very high91.5Very high112 Ų11285.1 Ų85.155%0.55241%0.408SS*.EExtended strand (participates in β ladder)trans-138.5131.5175.6-176173.969.100107.8I9 T10 V96I9-M94 WeakPolarHBondContact CA-O 2.94Å; T10-M94 PolarHBondContact N-O 2.68Å; T10-M94 PolarHBondContact O-N 2.82Å; M94-V96 HydrophobicContact CE-CG2 3.92Å; M94-V96 HydrophobicContact CG-CG2 3.97Å; M94-V96 HydrophobicContact SD-CG2 4.23Å
95I95Very high91.2Very high48 Ų4890.3 Ų90.325%0.24643%0.433CS..EExtended strand (participates in β ladder)trans-116.1122.3178.8-53.9-178.8000106.9Y7 I9 V77 F80 D81Y7-I95 HydrophobicContact CD1-CG2 4.17Å; I9-I95 HydrophobicContact CG1-CG1 4.32Å; I9-I95 HydrophobicContact CG1-CG2 4.22Å; I9-I95 HydrophobicContact CG2-CG1 4.32Å; V77-I95 HydrophobicContact CG1-CB 4.31Å; V77-I95 HydrophobicContact CG1-CD1 3.62Å; V77-I95 HydrophobicContact CG1-CG1 4.46Å; V77-I95 HydrophobicContact CG1-CG2 3.31Å; F80-I95 HydrophobicContact CD1-CD1 4.14Å; D81-I95 HydrophobicContact CB-CD1 3.86Å
96V94.4Very high91Very high58 Ų5887.1 Ų87.135%0.35242%0.422SS..EExtended strand (participates in β ladder)trans-120.1129.8-178.9-176.40000108.6Y7 E8 M94Y7-V96 CarbonylContact C-O 3.47Å; Y7-V96 VanDerWaalsContact CA-O 3.24Å; Y7-V96 WeakPolarHBondContact CA-O 3.24Å; E8-V96 PolarHBondContact N-O 2.98Å; E8-V96 PolarHBondContact O-N 3.18Å; M94-V96 HydrophobicContact CE-CG2 3.92Å; M94-V96 HydrophobicContact CG-CG2 3.97Å; M94-V96 HydrophobicContact SD-CG2 4.23Å
97K92.1Very high90.7Very high120 Ų12085.1 Ų85.152%0.52241%0.409SS..EExtended strand (participates in β ladder)trans-77123166.3176173173.6179.70108.1T5 Y7T5-K97 HydrophobicContact CG2-CD 3.59Å; T5-K97 VanDerWaalsContact CG2-CE 3.4Å; T5-K97 HydrophobicContact CG2-CG 3.51Å; Y7-K97 HydrophobicContact CD1-CB 4.18Å; Y7-K97 HydrophobicContact CE1-CB 4.01Å; Y7-K97 HydrophobicContact CE1-CG 4.41Å
98I90.1Very high90.5Very high66 Ų6690.1 Ų90.134%0.33843%0.433SS..EExtended strand (participates in β ladder)trans-85.6118.2175.3-50177.5000107.1K6 E8K6-I98 HydrophobicContact CB-CB 4.05Å; K6-I98 HydrophobicContact CB-CD1 4.46Å; K6-I98 PolarHBondContact O-N 3.45Å; E8-I98 HydrophobicContact CB-CD1 3.96Å; E8-I98 HydrophobicContact CB-CG1 4.14Å
99E78.6Confident90.2Very high170 Ų17084.9 Ų84.979%0.79440%0.401SS*.PPolyproline II helixtrans-80.8133.3167.4-66.2-174.5166.900108.8
100E58.5Low89.8Confident221 Ų22189.2 Ų89.2100%1.03342%0.419SS*.  trans-92.90161-69.9-169.7153.200110K6K6-E100 HydrophobicContact CD-CG 4.5Å; K6-E100 WeakPolarHBondContact CE-OE1 3.25Å; K6-E100 IonicContact NZ-OE1 2.61Å; K6-E100 PolarHBondContact NZ-OE1 3.03Å

Retrieved 100 of 100 residues in 63.2 ms (Link to these results)

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