A0A077ZL70_TRITR Loading...

LSM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL70, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 103 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
1M51.6Low62.1Low244 Ų244184.5 Ų184.5100%1.20285%0.849SS**  0116.40-75.6172.1172.900107.5N3M1-N3 PolarHBondContact O-N 2.93Å
2Q55Low63.5Low197 Ų197181.8 Ų181.892%0.92186%0.855SS**  trans-65.7117.7-177-76.1172.1-4.300109.9R4Q2-R4 PolarHBondContact O-N 3.05Å
3N61.7Low65Low154 Ų154174.5 Ų174.582%0.82482%0.824SS**  trans-70.298.5176.2-141.212000107.5M1 E5M1-N3 PolarHBondContact O-N 2.93Å; N3-E5 VanDerWaalsContact C-N 3.27Å; N3-E5 PolarHBondContact O-N 3.24Å
4R61.4Low66.8Low233 Ų233169.3 Ų169.388%0.87980%0.803SS**  trans-6992.3168.6-82.9-176.7170.7-179-2.6107.1Q2 K6Q2-R4 PolarHBondContact O-N 3.05Å; R4-K6 PolarHBondContact O-N 3.26Å
5E62.2Low68.6Low176 Ų176158.3 Ų158.382%0.82275%0.751SS**  trans-55.7108.5166.3-70.9-166.2145.100108N3 K7N3-E5 VanDerWaalsContact C-N 3.27Å; N3-E5 PolarHBondContact O-N 3.24Å; E5-K7 PolarHBondContact O-N 3.03Å
6K65.1Low70.3Confident197 Ų197153.5 Ų153.586%0.85774%0.736SS**  trans-62.3106.9171.1-70.5179.8179.3176.20106.1R4 K8R4-K6 PolarHBondContact O-N 3.26Å; K6-K8 PolarHBondContact O-N 2.98Å
7K62.8Low71.7Confident203 Ų203151.5 Ų151.588%0.88373%0.73SS**  trans-47.1117.8168.5-78.1-172.7174.5-173.10107.6E5 K9E5-K7 PolarHBondContact O-N 3.03Å; K7-K9 PolarHBondContact O-N 2.96Å
8K62.6Low73.1Confident177 Ų177144.7 Ų144.777%0.7770%0.698SS**  trans-56.3127.8174.3-76.3-178.8177.9177.20106.9K6 E10K6-K8 PolarHBondContact O-N 2.98Å; K8-E10 PolarHBondContact O-N 3.01Å
9K64.4Low74.4Confident201 Ų201140 Ų14087%0.87468%0.676SS**  trans-67.1103.8169.9-73.7-174.9176.9-176.20106.1K7 S11K7-K9 PolarHBondContact O-N 2.96Å; K9-S11 PolarHBondContact O-N 2.91Å
10E65.4Low75.6Confident182 Ų182138.1 Ų138.185%0.8567%0.67SS**  trans-60.7134.7171.2-70.2174.4176.900108.3K8K8-E10 PolarHBondContact O-N 3.01Å
11S70.8Confident76.6Confident65 Ų65136.6 Ų136.646%0.45566%0.66SS.*  trans-62.9137.4171172.30000108.2K9 I13K9-S11 PolarHBondContact O-N 2.91Å; S11-I13 PolarHBondContact O-N 2.59Å; S11-I13 PolarHBondContact OG-N 3.15Å; S11-I13 VanDerWaalsContact OG-N 3.15Å; S11-I13 PolarHBondContact OG-O 3.24Å
12V79.3Confident78.8Confident153 Ų153128.3 Ų128.393%0.92762%0.624SS**SBendtrans-63.6-23.1173.6-179.30000110.9
13I83Confident80.9Confident87 Ų87118.9 Ų118.945%0.44658%0.58SS.*  trans-106.1114.6-177.8-55.2174.2000108.3S11 L15 L44S11-I13 PolarHBondContact O-N 2.59Å; S11-I13 PolarHBondContact OG-N 3.15Å; S11-I13 VanDerWaalsContact OG-N 3.15Å; S11-I13 PolarHBondContact OG-O 3.24Å; I13-L15 HydrophobicContact CG2-CD2 3.66Å; I13-L15 HydrophobicContact CG2-CG 4.09Å; I13-L44 HydrophobicContact CD1-CD1 4.41Å
14D89.3Confident82.6Confident101 Ų101112.3 Ų112.354%0.5455%0.545SS..  trans-102.2112170.2-178.415.4000110.1T16D14-T16 WeakPolarHBondContact OD1-CB 3.48Å; D14-T16 PolarHBondContact OD1-N 2.88Å; D14-T16 PolarHBondContact OD1-OG1 3.49Å
15L94.8Very high84.3Confident4 Ų4101.2 Ų101.22%0.02150%0.503CS..  trans-92.13.2179-56.8176.5000112.5I13 N17 L18 I19 L37 F40 L44 L46 I84I13-L15 HydrophobicContact CG2-CD2 3.66Å; I13-L15 HydrophobicContact CG2-CG 4.09Å; L15-N17 PolarHBondContact O-N 2.9Å; L15-L18 HydrophobicContact CD2-CD1 3.94Å; L15-L18 WeakPolarHBondContact O-CA 3.44Å; L15-L18 WeakPolarHBondContact O-CB 3.15Å; L15-L18 PolarHBondContact O-N 3.2Å; L15-I19 PolarHBondContact O-N 2.83Å; L15-L37 HydrophobicContact CB-CD2 4.07Å; L15-F40 HydrophobicContact CB-CD1 3.72Å; L15-F40 HydrophobicContact CB-CD2 4.15Å; L15-F40 HydrophobicContact CB-CE1 3.62Å; L15-F40 HydrophobicContact CB-CE2 4.05Å; L15-F40 HydrophobicContact CB-CG 4Å; L15-F40 HydrophobicContact CB-CZ 3.79Å; L15-F40 HydrophobicContact CD1-CB 4.06Å; L15-F40 HydrophobicContact CD1-CD1 4.39Å; L15-F40 HydrophobicContact CD1-CD2 4.07Å; L15-F40 HydrophobicContact CD1-CG 3.92Å; L15-F40 HydrophobicContact CG-CD2 4.42Å; L15-F40 HydrophobicContact CG-CG 4.48Å; L15-L44 HydrophobicContact CD1-CD2 4.08Å; L15-L46 HydrophobicContact CD1-CD2 3.64Å; L15-I84 HydrophobicContact CD1-CD1 3.92Å; L15-I84 HydrophobicContact CD2-CD1 4.15Å; L15-I84 HydrophobicContact CD2-CG2 4.09Å
16T95.3Very high86Confident82 Ų8297.2 Ų97.250%0.50348%0.483SS..G310 helixtrans-56.2-38.3-177.8-56.40000111.7D14 L18 I19D14-T16 WeakPolarHBondContact OD1-CB 3.48Å; D14-T16 PolarHBondContact OD1-N 2.88Å; D14-T16 PolarHBondContact OD1-OG1 3.49Å; T16-L18 PolarHBondContact O-N 3.27Å; T16-I19 WeakPolarHBondContact O-CG1 3.44Å; T16-I19 PolarHBondContact O-N 3.2Å
17N94.5Very high87.5Confident119 Ų11988.8 Ų88.864%0.63645%0.447SS*.G310 helixtrans-70.3-10178.2-68.3-34.9000114.5L15 K21L15-N17 PolarHBondContact O-N 2.9Å; N17-K21 WeakPolarHBondContact O-CD 3.42Å; N17-K21 VanDerWaalsContact O-CE 3.3Å; N17-K21 WeakPolarHBondContact O-CE 3.42Å; N17-K21 PolarHBondContact O-NZ 3.49Å
18L96.5Very high89.1Confident30 Ų3085.5 Ų85.516%0.15744%0.435CS..G310 helixtrans-103.2-4.4179.1-58.3-177.9000112.7L15 T16 D20 K21 I23 L37 I84 P86L15-L18 HydrophobicContact CD2-CD1 3.94Å; L15-L18 WeakPolarHBondContact O-CA 3.44Å; L15-L18 WeakPolarHBondContact O-CB 3.15Å; L15-L18 PolarHBondContact O-N 3.2Å; T16-L18 PolarHBondContact O-N 3.27Å; L18-D20 PolarHBondContact O-N 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.3Å; L18-K21 PolarHBondContact O-N 3.44Å; L18-K21 VanDerWaalsContact O-N 3.12Å; L18-I23 HydrophobicContact CB-CG2 4.13Å; L18-I23 HydrophobicContact CD1-CG2 4.24Å; L18-L37 HydrophobicContact CB-CD2 3.83Å; L18-L37 WeakPolarHBondContact O-CB 3.36Å; L18-I84 HydrophobicContact CD1-CG2 4.21Å; L18-P86 HydrophobicContact CD2-CB 4.04Å
19I97.5Very high90.4Very high55 Ų5580.9 Ų80.928%0.28244%0.437SS..THydrogen-bonded Turntrans-58.1137.4174.9-64.8-67.8000110.2L15 T16 K21 L37 F40L15-I19 PolarHBondContact O-N 2.83Å; T16-I19 WeakPolarHBondContact O-CG1 3.44Å; T16-I19 PolarHBondContact O-N 3.2Å; I19-K21 PolarHBondContact O-N 3.47Å; I19-K21 VanDerWaalsContact O-N 3.15Å; I19-L37 HydrophobicContact CD1-CD2 4.11Å; I19-L37 HydrophobicContact CD1-CG 4.12Å; I19-F40 HydrophobicContact CD1-CD1 3.89Å; I19-F40 HydrophobicContact CD1-CE1 3.95Å; I19-F40 HydrophobicContact CG1-CE1 4.3Å
20D97.9Very high91.7Very high102 Ų10274 Ų7455%0.54542%0.424SS..THydrogen-bonded Turntrans58.117.3-175.9-68.8-51.6000115L18 L37 K38L18-D20 PolarHBondContact O-N 3.24Å; D20-L37 PolarHBondContact N-O 3.09Å; D20-K38 IonicContact OD1-NZ 2.77Å; D20-K38 PolarHBondContact OD1-NZ 2.86Å
21K97.9Very high93.1Very high107 Ų10771.1 Ų71.147%0.46541%0.405SS..SBendtrans-107.8150.2173.8-63.1-177.1-175.11670111.6N17 L18 I19 I23 I36 L37N17-K21 WeakPolarHBondContact O-CD 3.42Å; N17-K21 VanDerWaalsContact O-CE 3.3Å; N17-K21 WeakPolarHBondContact O-CE 3.42Å; N17-K21 PolarHBondContact O-NZ 3.49Å; L18-K21 WeakPolarHBondContact O-CB 3.3Å; L18-K21 PolarHBondContact O-N 3.44Å; L18-K21 VanDerWaalsContact O-N 3.12Å; I19-K21 PolarHBondContact O-N 3.47Å; I19-K21 VanDerWaalsContact O-N 3.15Å; K21-I23 PolarHBondContact O-N 3.15Å; K21-I36 WeakPolarHBondContact O-CA 3.41Å; K21-L37 PolarHBondContact O-N 3.36Å; K21-L37 VanDerWaalsContact O-N 3.09Å
22P97.8Very high94.3Very high69 Ų6969.8 Ų69.845%0.44839%0.392SS..EExtended strand (participates in β ladder)trans-68130.8170.730-34.3000109.8G35 A87P22-G35 WeakPolarHBondContact CA-O 3.18Å; P22-A87 HydrophobicContact CB-CB 3.83Å; P22-A87 HydrophobicContact CG-CB 4.09Å; P22-A87 WeakPolarHBondContact O-CB 3.4Å; P22-A87 PolarHBondContact O-N 2.9Å
23I98Very high95.1Very high0 Ų062.6 Ų62.60%035%0.348CS..EExtended strand (participates in β ladder)trans-129.3152.5176.762.4165000110.1L18 K21 V25 S34 G35 L37 L46 L48 I84 A85L18-I23 HydrophobicContact CB-CG2 4.13Å; L18-I23 HydrophobicContact CD1-CG2 4.24Å; K21-I23 PolarHBondContact O-N 3.15Å; I23-V25 HydrophobicContact CD1-CG2 3.75Å; I23-V25 HydrophobicContact CG1-CG2 4.19Å; I23-S34 WeakPolarHBondContact O-CA 3.48Å; I23-G35 PolarHBondContact N-O 3.22Å; I23-G35 PolarHBondContact O-N 3.36Å; I23-L37 HydrophobicContact CD1-CB 3.93Å; I23-L37 HydrophobicContact CD1-CD1 4.14Å; I23-L37 HydrophobicContact CD1-CG 4.41Å; I23-L37 HydrophobicContact CG1-CB 4.26Å; I23-L46 HydrophobicContact CD1-CD1 4.23Å; I23-L48 HydrophobicContact CD1-CD2 3.74Å; I23-L48 HydrophobicContact CG1-CD2 4.1Å; I23-I84 HydrophobicContact CD1-CG2 3.98Å; I23-A85 CarbonylContact C-O 3.56Å; I23-A85 VanDerWaalsContact CA-O 3.3Å; I23-A85 WeakPolarHBondContact CA-O 2.87Å; I23-A85 WeakPolarHBondContact CB-O 3.39Å
24V97.5Very high95.8Very high15 Ų1560.6 Ų60.69%0.09134%0.341CS..EExtended strand (participates in β ladder)trans-105133.2168.4-173.90000108.2E32 V33 A85 A87 M90V24-E32 HydrophobicContact CG1-CG 3.75Å; V24-E32 WeakPolarHBondContact CG1-OE1 3.42Å; V24-V33 CarbonylContact C-O 3.52Å; V24-V33 WeakPolarHBondContact CA-O 3.48Å; V24-A85 PolarHBondContact N-O 3.5Å; V24-A85 PolarHBondContact O-N 3Å; V24-A87 HydrophobicContact CG2-CB 4.25Å; V24-M90 HydrophobicContact CB-CE 3.73Å; V24-M90 HydrophobicContact CB-SD 4.42Å; V24-M90 HydrophobicContact CG2-CE 3.6Å; V24-M90 HydrophobicContact CG2-SD 4.13Å
25V97.7Very high96.2Very high0 Ų056 Ų560%032%0.319CS..EExtended strand (participates in β ladder)trans-123.7123.9179.7-175.80000109.1I23 F27 V33 L46 L48 I81 V83I23-V25 HydrophobicContact CD1-CG2 3.75Å; I23-V25 HydrophobicContact CG1-CG2 4.19Å; V25-F27 HydrophobicContact CB-CE2 4.42Å; V25-F27 HydrophobicContact CB-CZ 4.4Å; V25-F27 HydrophobicContact CG1-CE1 4.04Å; V25-F27 HydrophobicContact CG1-CE2 4.05Å; V25-F27 HydrophobicContact CG1-CZ 3.74Å; V25-V33 HydrophobicContact CB-CG2 3.91Å; V25-V33 PolarHBondContact N-O 3.11Å; V25-V33 PolarHBondContact O-N 3.05Å; V25-L46 HydrophobicContact CG1-CD1 4.42Å; V25-L46 HydrophobicContact CG2-CD1 3.87Å; V25-L48 HydrophobicContact CG2-CD1 4.09Å; V25-I81 HydrophobicContact CG1-CD1 4.2Å; V25-I81 HydrophobicContact CG1-CG1 4.01Å; V25-I81 HydrophobicContact CG1-CG2 3.91Å; V25-V83 WeakPolarHBondContact CA-O 3.27Å
26K96.9Very high96.4Very high92 Ų9258 Ų5840%0.433%0.329SS..EExtended strand (participates in β ladder)trans-104134.2173.7-55.1-169.1-171.2-120.90110E32 L82 V83K26-E32 VanDerWaalsContact CE-OE2 3.28Å; K26-E32 WeakPolarHBondContact CE-OE2 3.41Å; K26-E32 HydrophobicContact CG-CG 4.28Å; K26-E32 IonicContact NZ-OE2 2.68Å; K26-E32 PolarHBondContact NZ-OE2 2.86Å; K26-L82 PolarHBondContact O-N 3.12Å; K26-V83 HydrophobicContact CB-CB 4.08Å; K26-V83 HydrophobicContact CB-CG2 4.41Å; K26-V83 HydrophobicContact CG-CB 4.28Å; K26-V83 PolarHBondContact N-O 2.65Å; K26-V83 PolarHBondContact O-N 2.72Å
27F97.3Very high96.6Very high20 Ų2054.1 Ų54.19%0.08831%0.305CS..EExtended strand (participates in β ladder)trans-107.2158.9-179.4-60-85.4000112.2V25 G29 G30 R31 V33 A76 T80 I81V25-F27 HydrophobicContact CB-CE2 4.42Å; V25-F27 HydrophobicContact CB-CZ 4.4Å; V25-F27 HydrophobicContact CG1-CE1 4.04Å; V25-F27 HydrophobicContact CG1-CE2 4.05Å; V25-F27 HydrophobicContact CG1-CZ 3.74Å; F27-G29 PolarHBondContact O-N 3.48Å; F27-G30 PolarHBondContact O-N 2.78Å; F27-R31 HydrophobicContact CB-CB 4.28Å; F27-R31 HydrophobicContact CD2-CB 4.14Å; F27-R31 PolarHBondContact N-O 3.01Å; F27-V33 HydrophobicContact CE2-CB 4.33Å; F27-V33 HydrophobicContact CE2-CG1 3.89Å; F27-V33 HydrophobicContact CE2-CG2 3.58Å; F27-V33 HydrophobicContact CZ-CG2 4.08Å; F27-A76 HydrophobicContact CE1-CB 3.9Å; F27-A76 HydrophobicContact CZ-CB 3.77Å; F27-T80 CarbonylContact C-O 3.6Å; F27-T80 WeakPolarHBondContact CA-O 3.47Å; F27-I81 HydrophobicContact CD1-CG1 3.91Å; F27-I81 HydrophobicContact CE1-CD1 4.39Å; F27-I81 HydrophobicContact CE1-CG1 3.63Å
28Q95.7Very high96.8Very high135 Ų13552.6 Ų52.663%0.63129%0.293SS*.THydrogen-bonded Turntrans-54.6133.2162.6-171.8178.8600109.6T80 L82Q28-T80 PolarHBondContact N-O 2.84Å; Q28-L82 HydrophobicContact CB-CD1 4.47Å; Q28-L82 HydrophobicContact CB-CG 4.45Å
29G91.6Very high96.8Very high79 Ų7952 Ų5281%0.81429%0.294SS*.THydrogen-bonded Turntrans926.3-175.300000114.8F27F27-G29 PolarHBondContact O-N 3.48Å
30G91.4Very high96.8Very high58 Ų5853 Ų5360%0.59830%0.296SS*.SBendtrans85.84.8169.400000115.3F27F27-G30 PolarHBondContact O-N 2.78Å
31R93.8Very high96.7Very high121 Ų12151.2 Ų51.246%0.45729%0.287SS..  trans-72.3138.1174.4-60.7177.668.4-167.2-1.5110.1F27 E53F27-R31 HydrophobicContact CB-CB 4.28Å; F27-R31 HydrophobicContact CD2-CB 4.14Å; F27-R31 PolarHBondContact N-O 3.01Å; R31-E53 IonicContact CZ-OE1 3.24Å; R31-E53 VanDerWaalsContact CZ-OE1 3.24Å; R31-E53 IonicContact NE-OE1 2.73Å; R31-E53 PolarHBondContact NE-OE1 2.83Å; R31-E53 VanDerWaalsContact NH2-CD 3.3Å; R31-E53 IonicContact NH2-OE1 2.9Å; R31-E53 PolarHBondContact NH2-OE1 3.02Å; R31-E53 IonicContact NH2-OE2 3Å; R31-E53 PolarHBondContact NH2-OE2 2.96Å
32E95.8Very high96.4Very high37 Ų3753.8 Ų53.817%0.17330%0.301CS..EExtended strand (participates in β ladder)trans-128.3132.6177.8-177.3166.5145.200109.6V24 K26 E53 T54V24-E32 HydrophobicContact CG1-CG 3.75Å; V24-E32 WeakPolarHBondContact CG1-OE1 3.42Å; K26-E32 VanDerWaalsContact CE-OE2 3.28Å; K26-E32 WeakPolarHBondContact CE-OE2 3.41Å; K26-E32 HydrophobicContact CG-CG 4.28Å; K26-E32 IonicContact NZ-OE2 2.68Å; K26-E32 PolarHBondContact NZ-OE2 2.86Å; E32-E53 WeakPolarHBondContact O-CA 3.33Å; E32-T54 PolarHBondContact O-N 2.78Å
33V97.4Very high96.1Very high2 Ų256.6 Ų56.61%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-130.4148.1175.2-54.20000110.7V24 V25 F27 L48 T51 T52 E53V24-V33 CarbonylContact C-O 3.52Å; V24-V33 WeakPolarHBondContact CA-O 3.48Å; V25-V33 HydrophobicContact CB-CG2 3.91Å; V25-V33 PolarHBondContact N-O 3.11Å; V25-V33 PolarHBondContact O-N 3.05Å; F27-V33 HydrophobicContact CE2-CB 4.33Å; F27-V33 HydrophobicContact CE2-CG1 3.89Å; F27-V33 HydrophobicContact CE2-CG2 3.58Å; F27-V33 HydrophobicContact CZ-CG2 4.08Å; V33-L48 HydrophobicContact CG2-CD1 3.96Å; V33-T51 HydrophobicContact CB-CG2 3.79Å; V33-T51 HydrophobicContact CG1-CG2 4.34Å; V33-T51 HydrophobicContact CG2-CG2 4.14Å; V33-T52 CarbonylContact C-O 3.54Å; V33-T52 VanDerWaalsContact CA-O 3.27Å; V33-T52 WeakPolarHBondContact CA-O 3.09Å; V33-E53 HydrophobicContact CG1-CB 3.93Å; V33-E53 HydrophobicContact CG1-CG 4.13Å
34S97.4Very high95.9Very high44 Ų4458.6 Ų58.631%0.30832%0.321SS..EExtended strand (participates in β ladder)trans-118.4134.6170.3-62.20000109.3I23 T51 T52I23-S34 WeakPolarHBondContact O-CA 3.48Å; S34-T51 CarbonylContact O-C 3.59Å; S34-T51 VanDerWaalsContact O-CA 3.28Å; S34-T51 WeakPolarHBondContact O-CA 3.28Å; S34-T52 PolarHBondContact N-O 3.27Å; S34-T52 PolarHBondContact O-N 3.17Å
35G98.1Very high95.9Very high6 Ų659.2 Ų59.26%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-168.3172.8-179.800000112.5P22 I23P22-G35 WeakPolarHBondContact CA-O 3.18Å; I23-G35 PolarHBondContact N-O 3.22Å; I23-G35 PolarHBondContact O-N 3.36Å
36I98.5Very high95.9Very high46 Ų4659.2 Ų59.224%0.23632%0.324CS..EExtended strand (participates in β ladder)trans-90.1123.1178.7-58.4174.4000109K21 K38 L48 D49K21-I36 WeakPolarHBondContact O-CA 3.41Å; I36-K38 HydrophobicContact CG2-CD 4.38Å; I36-K38 PolarHBondContact O-N 3.16Å; I36-L48 WeakPolarHBondContact O-CA 3.26Å; I36-D49 PolarHBondContact N-O 3.48Å; I36-D49 PolarHBondContact O-N 2.93Å
37L98.6Very high96Very high0 Ų057.5 Ų57.50%032%0.321CS..EExtended strand (participates in β ladder)trans-71.1114.9178.4-177.766.4000110.9L15 L18 I19 D20 K21 I23 G39 F40 L46 L48L15-L37 HydrophobicContact CB-CD2 4.07Å; L18-L37 HydrophobicContact CB-CD2 3.83Å; L18-L37 WeakPolarHBondContact O-CB 3.36Å; I19-L37 HydrophobicContact CD1-CD2 4.11Å; I19-L37 HydrophobicContact CD1-CG 4.12Å; D20-L37 PolarHBondContact N-O 3.09Å; K21-L37 PolarHBondContact O-N 3.36Å; K21-L37 VanDerWaalsContact O-N 3.09Å; I23-L37 HydrophobicContact CD1-CB 3.93Å; I23-L37 HydrophobicContact CD1-CD1 4.14Å; I23-L37 HydrophobicContact CD1-CG 4.41Å; I23-L37 HydrophobicContact CG1-CB 4.26Å; L37-G39 WeakPolarHBondContact CD1-O 3.49Å; L37-F40 HydrophobicContact CD2-CD1 4.34Å; L37-L46 HydrophobicContact CD1-CB 4.02Å; L37-L46 HydrophobicContact CD1-CD2 4.14Å; L37-L46 HydrophobicContact CD1-CG 4.49Å; L37-L48 HydrophobicContact CB-CD2 4.37Å; L37-L48 HydrophobicContact CD1-CD2 3.85Å
38K98.5Very high96.1Very high87 Ų8756.5 Ų56.538%0.37832%0.317SS..EExtended strand (participates in β ladder)trans-98.3-23177.3-64.9-58.3-178.8-179.20113.9D20 I36 V47 D49D20-K38 IonicContact OD1-NZ 2.77Å; D20-K38 PolarHBondContact OD1-NZ 2.86Å; I36-K38 HydrophobicContact CG2-CD 4.38Å; I36-K38 PolarHBondContact O-N 3.16Å; K38-V47 HydrophobicContact CB-CB 4.3Å; K38-V47 HydrophobicContact CB-CG1 4.05Å; K38-V47 PolarHBondContact N-O 2.91Å; K38-D49 HydrophobicContact CD-CB 4.24Å; K38-D49 HydrophobicContact CG-CB 3.61Å
39G98Very high96.2Very high18 Ų1852.4 Ų52.419%0.18630%0.299CS..EExtended strand (participates in β ladder)trans-179.9163.5179.500000111.8L37 V47L37-G39 WeakPolarHBondContact CD1-O 3.49Å; G39-V47 PolarHBondContact O-N 2.92Å
40F97.4Very high96.5Very high74 Ų7453.5 Ų53.533%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-150.4165.7177.364.4-82.5000111.1L15 I19 L37 N45 L46L15-F40 HydrophobicContact CB-CD1 3.72Å; L15-F40 HydrophobicContact CB-CD2 4.15Å; L15-F40 HydrophobicContact CB-CE1 3.62Å; L15-F40 HydrophobicContact CB-CE2 4.05Å; L15-F40 HydrophobicContact CB-CG 4Å; L15-F40 HydrophobicContact CB-CZ 3.79Å; L15-F40 HydrophobicContact CD1-CB 4.06Å; L15-F40 HydrophobicContact CD1-CD1 4.39Å; L15-F40 HydrophobicContact CD1-CD2 4.07Å; L15-F40 HydrophobicContact CD1-CG 3.92Å; L15-F40 HydrophobicContact CG-CD2 4.42Å; L15-F40 HydrophobicContact CG-CG 4.48Å; I19-F40 HydrophobicContact CD1-CD1 3.89Å; I19-F40 HydrophobicContact CD1-CE1 3.95Å; I19-F40 HydrophobicContact CG1-CE1 4.3Å; L37-F40 HydrophobicContact CD2-CD1 4.34Å; F40-N45 WeakPolarHBondContact CA-O 3.35Å; F40-L46 HydrophobicContact CB-CD2 3.74Å
41D94.8Very high96.8Very high66 Ų6650.8 Ų50.835%0.35326%0.258SS..  trans-123-179.8172.972.616000112.6L43 L44 N45D41-L43 PolarHBondContact O-N 3.17Å; D41-L43 WeakPolarHBondContact OD1-CA 3.45Å; D41-L43 WeakPolarHBondContact OD1-CB 3.26Å; D41-L43 PolarHBondContact OD1-N 3.31Å; D41-L44 PolarHBondContact O-N 2.78Å; D41-L44 VanDerWaalsContact O-N 3.09Å; D41-L44 PolarHBondContact OD1-N 2.99Å; D41-L44 VanDerWaalsContact OD1-N 3.17Å; D41-N45 PolarHBondContact N-O 3.31Å; D41-N45 VanDerWaalsContact N-O 3.17Å; D41-N45 PolarHBondContact OD1-N 2.94Å; D41-N45 PolarHBondContact OD1-ND2 2.77Å; D41-N45 WeakPolarHBondContact OD2-CB 3.3Å; D41-N45 PolarHBondContact OD2-ND2 3.3Å
42Q91.3Very high97Very high161 Ų16147.3 Ų47.375%0.75225%0.251SS*.THydrogen-bonded Turntrans-68.5-14.3-179.3-68.5172.139.300113.9L44Q42-L44 VanDerWaalsContact C-N 3.31Å
43L92Very high97.1Very high128 Ų12846 Ų4667%0.6724%0.244SC*.THydrogen-bonded Turntrans-94.47.3175.6-59.5-179.7000111.7D41 N45 G78D41-L43 PolarHBondContact O-N 3.17Å; D41-L43 WeakPolarHBondContact OD1-CA 3.45Å; D41-L43 WeakPolarHBondContact OD1-CB 3.26Å; D41-L43 PolarHBondContact OD1-N 3.31Å; L43-N45 PolarHBondContact O-N 3.21Å; L43-G78 WeakPolarHBondContact O-CA 3.27Å
44L94.8Very high96.9Very high41 Ų4146.9 Ų46.922%0.21525%0.25CS..  trans59.928.4-174-56174.4000112.9I13 L15 D41 Q42 G78 I81I13-L44 HydrophobicContact CD1-CD1 4.41Å; L15-L44 HydrophobicContact CD1-CD2 4.08Å; D41-L44 PolarHBondContact O-N 2.78Å; D41-L44 VanDerWaalsContact O-N 3.09Å; D41-L44 PolarHBondContact OD1-N 2.99Å; D41-L44 VanDerWaalsContact OD1-N 3.17Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; L44-G78 WeakPolarHBondContact O-CA 3.27Å; L44-I81 VanDerWaalsContact O-CD1 3.28Å; L44-I81 WeakPolarHBondContact O-CD1 3.41Å
45N97.1Very high96.4Very high29 Ų2947.7 Ų47.716%0.15525%0.25CC..  trans-69.8133.6162.8-57.8-57.3000108.1F40 D41 L43 A76 G78F40-N45 WeakPolarHBondContact CA-O 3.35Å; D41-N45 PolarHBondContact N-O 3.31Å; D41-N45 VanDerWaalsContact N-O 3.17Å; D41-N45 PolarHBondContact OD1-N 2.94Å; D41-N45 PolarHBondContact OD1-ND2 2.77Å; D41-N45 WeakPolarHBondContact OD2-CB 3.3Å; D41-N45 PolarHBondContact OD2-ND2 3.3Å; L43-N45 PolarHBondContact O-N 3.21Å; N45-A76 CarbonylContact C-O 3.5Å; N45-A76 VanDerWaalsContact CA-O 3.26Å; N45-A76 WeakPolarHBondContact CA-O 3.42Å; N45-G78 PolarHBondContact OD1-N 3.42Å
46L98.3Very high95.4Very high0 Ų052.1 Ų52.10%027%0.269CS..EExtended strand (participates in β ladder)trans-116141-176.4-44.1177.5000110L15 I23 V25 L37 F40 L48 V75 A76 I81 I84L15-L46 HydrophobicContact CD1-CD2 3.64Å; I23-L46 HydrophobicContact CD1-CD1 4.23Å; V25-L46 HydrophobicContact CG1-CD1 4.42Å; V25-L46 HydrophobicContact CG2-CD1 3.87Å; L37-L46 HydrophobicContact CD1-CB 4.02Å; L37-L46 HydrophobicContact CD1-CD2 4.14Å; L37-L46 HydrophobicContact CD1-CG 4.49Å; F40-L46 HydrophobicContact CB-CD2 3.74Å; L46-L48 HydrophobicContact CB-CD2 3.99Å; L46-L48 HydrophobicContact CB-CG 4.23Å; L46-L48 HydrophobicContact CD1-CD2 4.41Å; L46-V75 CarbonylContact O-C 3.6Å; L46-V75 VanDerWaalsContact O-CA 3.31Å; L46-V75 WeakPolarHBondContact O-CA 3.47Å; L46-A76 HydrophobicContact CB-CB 4.08Å; L46-A76 HydrophobicContact CG-CB 4.47Å; L46-A76 PolarHBondContact N-O 3.49Å; L46-A76 PolarHBondContact O-N 2.91Å; L46-I81 HydrophobicContact CD1-CD1 3.71Å; L46-I81 HydrophobicContact CG-CD1 3.78Å; L46-I84 HydrophobicContact CD1-CD1 4Å; L46-I84 HydrophobicContact CD1-CG1 4.29Å; L46-I84 HydrophobicContact CD2-CD1 4.28Å
47V98.6Very high94Very high55 Ų5554.7 Ų54.733%0.33328%0.283SS..EExtended strand (participates in β ladder)trans-99.5115.6164.9-176.50000106.9K38 G39 L73K38-V47 HydrophobicContact CB-CB 4.3Å; K38-V47 HydrophobicContact CB-CG1 4.05Å; K38-V47 PolarHBondContact N-O 2.91Å; G39-V47 PolarHBondContact O-N 2.92Å; V47-L73 HydrophobicContact CG1-CD1 3.79Å
48L98.7Very high92.3Very high0 Ų059.8 Ų59.80%033%0.325CS..EExtended strand (participates in β ladder)trans-116130.7-179.6-54.4-177.4000109.9I23 V25 V33 I36 L37 L46 T51 L73 I74I23-L48 HydrophobicContact CD1-CD2 3.74Å; I23-L48 HydrophobicContact CG1-CD2 4.1Å; V25-L48 HydrophobicContact CG2-CD1 4.09Å; V33-L48 HydrophobicContact CG2-CD1 3.96Å; I36-L48 WeakPolarHBondContact O-CA 3.26Å; L37-L48 HydrophobicContact CB-CD2 4.37Å; L37-L48 HydrophobicContact CD1-CD2 3.85Å; L46-L48 HydrophobicContact CB-CD2 3.99Å; L46-L48 HydrophobicContact CB-CG 4.23Å; L46-L48 HydrophobicContact CD1-CD2 4.41Å; L48-T51 VanDerWaalsContact CB-OG1 3.23Å; L48-T51 WeakPolarHBondContact CB-OG1 3.41Å; L48-T51 PolarHBondContact O-OG1 3.23Å; L48-L73 CarbonylContact O-C 3.57Å; L48-L73 WeakPolarHBondContact O-CA 3.28Å; L48-I74 HydrophobicContact CB-CG1 3.94Å; L48-I74 HydrophobicContact CD1-CD1 4.37Å; L48-I74 PolarHBondContact N-O 2.84Å; L48-I74 PolarHBondContact O-N 2.89Å
49D98.5Very high90.5Very high49 Ų4961 Ų6126%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-106.4156.4175.9-165.514.4000110.9I36 K38 T51 L73I36-D49 PolarHBondContact N-O 3.48Å; I36-D49 PolarHBondContact O-N 2.93Å; K38-D49 HydrophobicContact CD-CB 4.24Å; K38-D49 HydrophobicContact CG-CB 3.61Å; D49-T51 PolarHBondContact O-N 3.09Å; D49-L73 HydrophobicContact CB-CD1 4.14Å
50N98.1Very high88.6Confident102 Ų10268.2 Ų68.255%0.54537%0.365SS..EExtended strand (participates in β ladder)trans49.542-174.5-62.7-39.6000113.3G72N50-G72 PolarHBondContact N-O 2.91Å
51T98.4Very high86.5Confident0 Ų069.7 Ų69.70%038%0.384CS..EExtended strand (participates in β ladder)trans-77.1129.9-171.3-53.60000111.8V33 S34 L48 D49 N70 L71 G72 I74V33-T51 HydrophobicContact CB-CG2 3.79Å; V33-T51 HydrophobicContact CG1-CG2 4.34Å; V33-T51 HydrophobicContact CG2-CG2 4.14Å; S34-T51 CarbonylContact O-C 3.59Å; S34-T51 VanDerWaalsContact O-CA 3.28Å; S34-T51 WeakPolarHBondContact O-CA 3.28Å; L48-T51 VanDerWaalsContact CB-OG1 3.23Å; L48-T51 WeakPolarHBondContact CB-OG1 3.41Å; L48-T51 PolarHBondContact O-OG1 3.23Å; D49-T51 PolarHBondContact O-N 3.09Å; T51-N70 PolarHBondContact O-OD1 2.8Å; T51-N70 VanDerWaalsContact O-OD1 3.08Å; T51-L71 HydrophobicContact CG2-CD1 4.48Å; T51-L71 PolarHBondContact O-N 2.82Å; T51-G72 VanDerWaalsContact CB-O 3.27Å; T51-G72 WeakPolarHBondContact CB-O 3.46Å; T51-G72 PolarHBondContact N-O 2.87Å; T51-G72 PolarHBondContact O-N 3.23Å; T51-G72 PolarHBondContact OG1-O 2.82Å; T51-G72 VanDerWaalsContact OG1-O 3.11Å; T51-I74 HydrophobicContact CG2-CD1 3.74Å; T51-I74 HydrophobicContact CG2-CG1 4.04Å
52T97.7Very high84.7Confident49 Ų4967.5 Ų67.530%0.30138%0.375SS..EExtended strand (participates in β ladder)trans-115.6129.7170.8-600000109.5V33 S34 T68 R69V33-T52 CarbonylContact C-O 3.54Å; V33-T52 VanDerWaalsContact CA-O 3.27Å; V33-T52 WeakPolarHBondContact CA-O 3.09Å; S34-T52 PolarHBondContact N-O 3.27Å; S34-T52 PolarHBondContact O-N 3.17Å; T52-T68 HydrophobicContact CG2-CG2 4.18Å; T52-R69 CarbonylContact C-O 3.22Å; T52-R69 WeakPolarHBondContact CA-O 3.33Å
53E96.8Very high83.2Confident8 Ų866.7 Ų66.74%0.03737%0.371CS..EExtended strand (participates in β ladder)trans-95.2132.2172.4177.6172.1-164.600110.7R31 E32 V33 M55 T68 R69 L71R31-E53 IonicContact CZ-OE1 3.24Å; R31-E53 VanDerWaalsContact CZ-OE1 3.24Å; R31-E53 IonicContact NE-OE1 2.73Å; R31-E53 PolarHBondContact NE-OE1 2.83Å; R31-E53 VanDerWaalsContact NH2-CD 3.3Å; R31-E53 IonicContact NH2-OE1 2.9Å; R31-E53 PolarHBondContact NH2-OE1 3.02Å; R31-E53 IonicContact NH2-OE2 3Å; R31-E53 PolarHBondContact NH2-OE2 2.96Å; E32-E53 WeakPolarHBondContact O-CA 3.33Å; V33-E53 HydrophobicContact CG1-CB 3.93Å; V33-E53 HydrophobicContact CG1-CG 4.13Å; E53-M55 HydrophobicContact CG-CG 4.41Å; E53-T68 CarbonylContact O-C 3.51Å; E53-T68 VanDerWaalsContact O-CA 3.26Å; E53-T68 WeakPolarHBondContact O-CA 3.31Å; E53-R69 HydrophobicContact CB-CG 3.91Å; E53-R69 PolarHBondContact N-O 3.02Å; E53-R69 PolarHBondContact O-N 3Å; E53-R69 IonicContact OE1-NH2 3.5Å; E53-R69 PolarHBondContact OE1-NH2 2.83Å; E53-R69 IonicContact OE2-CZ 3.08Å; E53-R69 IonicContact OE2-NE 2.72Å; E53-R69 PolarHBondContact OE2-NE 2.81Å; E53-R69 IonicContact OE2-NH2 2.65Å; E53-R69 PolarHBondContact OE2-NH2 2.99Å; E53-L71 HydrophobicContact CB-CD1 3.94Å; E53-L71 HydrophobicContact CB-CG 4.39Å
54T93.5Very high81.9Confident22 Ų2264.5 Ų64.514%0.13537%0.372CS..EExtended strand (participates in β ladder)trans-91.9117.1171.1-51.60000108.3E32 P66E32-T54 PolarHBondContact O-N 2.78Å; T54-P66 HydrophobicContact CG2-CB 3.51Å; T54-P66 HydrophobicContact CG2-CG 3.64Å
55M87.2Confident80.6Confident61 Ų6169.5 Ų69.530%0.340%0.398SS..EExtended strand (participates in β ladder)trans-94.2118.6178.1-58.3-178.8-65.900108.6E53 A67 R69E53-M55 HydrophobicContact CG-CG 4.41Å; M55-A67 WeakPolarHBondContact CA-O 3.49Å; M55-A67 HydrophobicContact CB-CB 4.47Å; M55-A67 VanDerWaalsContact CB-O 3.3Å; M55-A67 WeakPolarHBondContact CB-O 3.28Å; M55-A67 HydrophobicContact CE-CB 3.65Å; M55-A67 PolarHBondContact N-O 2.68Å; M55-A67 PolarHBondContact O-N 2.83Å; M55-R69 HydrophobicContact CE-CB 4.36Å; M55-R69 HydrophobicContact SD-CG 4.22Å
56H76Confident79.6Confident99 Ų9970.3 Ų70.346%0.45841%0.405SS..  trans-95.4101.6172.4-61.8-72.5000107.7
57D69.1Low79Confident99 Ų9972.3 Ų72.353%0.52942%0.422SS..  trans-67.5149.5167.9-68.3-38.1000109.1D59 A62D57-D59 PolarHBondContact O-N 3.39Å; D57-A62 HydrophobicContact CB-CB 3.76Å
58A63.7Low78.7Confident107 Ų10774.2 Ų74.288%0.88443%0.434SS*.SBendtrans-67.5-15.7-178.600000113.1
59D61.8Low78.6Confident114 Ų11479.6 Ų79.661%0.6145%0.454SS*.SBendtrans-78.2121.8178.7-68.4-30.2000109.9D57 S61 A62D57-D59 PolarHBondContact O-N 3.39Å; D59-S61 PolarHBondContact O-N 2.98Å; D59-A62 WeakPolarHBondContact O-CB 3.2Å; D59-A62 PolarHBondContact O-N 3.16Å
60E57.7Low78.5Confident169 Ų16983.2 Ų83.279%0.7947%0.474SS*.G310 helixtrans-53.8-23.4178.9-67-176.7161.500113.1A62 Q63E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3.18Å; E60-Q63 PolarHBondContact O-N 3.1Å
61S53.3Low78.5Confident104 Ų10481.4 Ų81.473%0.72746%0.463SS*.G310 helixtrans-66.5-25.5175.264.40000113.4D59 Q63D59-S61 PolarHBondContact O-N 2.98Å; S61-Q63 VanDerWaalsContact C-N 3.34Å
62A57.1Low78.5Confident20 Ų2082.4 Ų82.417%0.16547%0.474CS..G310 helixtrans-81.2-12.6179.200000113.2D57 D59 E60 A64 N65D57-A62 HydrophobicContact CB-CB 3.76Å; D59-A62 WeakPolarHBondContact O-CB 3.2Å; D59-A62 PolarHBondContact O-N 3.16Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3.18Å; A62-A64 PolarHBondContact O-N 3.37Å; A62-N65 CarbonylContact O-C 3.46Å; A62-N65 PolarHBondContact O-N 3.18Å
63Q59.4Low78.5Confident145 Ų14585.8 Ų85.868%0.67849%0.49SS*.G310 helixtrans-65.7-24.8178.2-99.5160.8-5.500113.3E60 S61E60-Q63 PolarHBondContact O-N 3.1Å; S61-Q63 VanDerWaalsContact C-N 3.34Å
64A63.5Low78.6Confident82 Ų8287.1 Ų87.168%0.67850%0.496SS*.G310 helixtrans-72.2-31.6177.100000112.7A62A62-A64 PolarHBondContact O-N 3.37Å
65N68.6Low78.8Confident145 Ų14590.9 Ų90.978%0.77552%0.519SS*.SBendtrans-14578.1-178.1-76-42.3000109.3A62 A67A62-N65 CarbonylContact O-C 3.46Å; A62-N65 PolarHBondContact O-N 3.18Å; N65-A67 PolarHBondContact O-N 3.25Å
66P76Confident79.3Confident47 Ų4788.1 Ų88.131%0.30551%0.506SS..  trans-63.6133.7-17927.8-34.5000109.5T54 T68T54-P66 HydrophobicContact CG2-CB 3.51Å; T54-P66 HydrophobicContact CG2-CG 3.64Å; P66-T68 PolarHBondContact O-N 3.43Å
67A86.4Confident80.4Confident42 Ų4290.8 Ų90.835%0.34751%0.512SS..EExtended strand (participates in β ladder)trans-67.2130.6-179.900000109.8M55 N65M55-A67 WeakPolarHBondContact CA-O 3.49Å; M55-A67 HydrophobicContact CB-CB 4.47Å; M55-A67 VanDerWaalsContact CB-O 3.3Å; M55-A67 WeakPolarHBondContact CB-O 3.28Å; M55-A67 HydrophobicContact CE-CB 3.65Å; M55-A67 PolarHBondContact N-O 2.68Å; M55-A67 PolarHBondContact O-N 2.83Å; N65-A67 PolarHBondContact O-N 3.25Å
68T92.2Very high81.6Confident95 Ų9586.6 Ų86.658%0.58349%0.492SS*.EExtended strand (participates in β ladder)trans-105.8144.7178.3600000111.6T52 E53 P66T52-T68 HydrophobicContact CG2-CG2 4.18Å; E53-T68 CarbonylContact O-C 3.51Å; E53-T68 VanDerWaalsContact O-CA 3.26Å; E53-T68 WeakPolarHBondContact O-CA 3.31Å; P66-T68 PolarHBondContact O-N 3.43Å
69R94.9Very high83.2Confident113 Ų11386.6 Ų86.643%0.42648%0.478SS..EExtended strand (participates in β ladder)trans-129.5139.7168.967.4177.2-176.8-170.6-3.3112.2T52 E53 M55 L71T52-R69 CarbonylContact C-O 3.22Å; T52-R69 WeakPolarHBondContact CA-O 3.33Å; E53-R69 HydrophobicContact CB-CG 3.91Å; E53-R69 PolarHBondContact N-O 3.02Å; E53-R69 PolarHBondContact O-N 3Å; E53-R69 IonicContact OE1-NH2 3.5Å; E53-R69 PolarHBondContact OE1-NH2 2.83Å; E53-R69 IonicContact OE2-CZ 3.08Å; E53-R69 IonicContact OE2-NE 2.72Å; E53-R69 PolarHBondContact OE2-NE 2.81Å; E53-R69 IonicContact OE2-NH2 2.65Å; E53-R69 PolarHBondContact OE2-NH2 2.99Å; M55-R69 HydrophobicContact CE-CB 4.36Å; M55-R69 HydrophobicContact SD-CG 4.22Å; R69-L71 HydrophobicContact CG-CD2 4.27Å
70N97.3Very high84.9Confident125 Ų12583.2 Ų83.267%0.66846%0.461SS*.EExtended strand (participates in β ladder)trans-81.8132.9175.6-171.17.3000110.4T51 G72T51-N70 PolarHBondContact O-OD1 2.8Å; T51-N70 VanDerWaalsContact O-OD1 3.08Å; N70-G72 PolarHBondContact OD1-N 2.87Å
71L97.9Very high86.8Confident63 Ų6376.5 Ų76.533%0.3343%0.43SS..EExtended strand (participates in β ladder)trans-115.2-13178-58.7180000112.7T51 E53 R69 L73 I74T51-L71 HydrophobicContact CG2-CD1 4.48Å; T51-L71 PolarHBondContact O-N 2.82Å; E53-L71 HydrophobicContact CB-CD1 3.94Å; E53-L71 HydrophobicContact CB-CG 4.39Å; R69-L71 HydrophobicContact CG-CD2 4.27Å; L71-L73 PolarHBondContact O-N 3.11Å; L71-I74 HydrophobicContact CB-CG2 3.63Å; L71-I74 HydrophobicContact CD1-CG2 4.37Å
72G98.1Very high88.8Confident22 Ų2277.2 Ų77.223%0.22743%0.425CS..EExtended strand (participates in β ladder)trans66.8-128.6-177.600000112.7N50 T51 N70N50-G72 PolarHBondContact N-O 2.91Å; T51-G72 VanDerWaalsContact CB-O 3.27Å; T51-G72 WeakPolarHBondContact CB-O 3.46Å; T51-G72 PolarHBondContact N-O 2.87Å; T51-G72 PolarHBondContact O-N 3.23Å; T51-G72 PolarHBondContact OG1-O 2.82Å; T51-G72 VanDerWaalsContact OG1-O 3.11Å; N70-G72 PolarHBondContact OD1-N 2.87Å
73L98.5Very high90.7Very high120 Ų12079.5 Ų79.563%0.62844%0.437SS*.EExtended strand (participates in β ladder)trans-85.1118.8178.9-178.167.5000110.4V47 L48 D49 L71V47-L73 HydrophobicContact CG1-CD1 3.79Å; L48-L73 CarbonylContact O-C 3.57Å; L48-L73 WeakPolarHBondContact O-CA 3.28Å; D49-L73 HydrophobicContact CB-CD1 4.14Å; L71-L73 PolarHBondContact O-N 3.11Å
74I98.4Very high92.4Very high35 Ų3574.5 Ų74.518%0.17942%0.415CS..EExtended strand (participates in β ladder)trans-126.6160.7179.373159.4000112.5L48 T51 L71L48-I74 HydrophobicContact CB-CG1 3.94Å; L48-I74 HydrophobicContact CD1-CD1 4.37Å; L48-I74 PolarHBondContact N-O 2.84Å; L48-I74 PolarHBondContact O-N 2.89Å; T51-I74 HydrophobicContact CG2-CD1 3.74Å; T51-I74 HydrophobicContact CG2-CG1 4.04Å; L71-I74 HydrophobicContact CB-CG2 3.63Å; L71-I74 HydrophobicContact CD1-CG2 4.37Å
75V98.3Very high94Very high102 Ų10271.8 Ų71.862%0.61839%0.392SS*.EExtended strand (participates in β ladder)trans-109.3114.4162.9-179.10000108.7L46L46-V75 CarbonylContact O-C 3.6Å; L46-V75 VanDerWaalsContact O-CA 3.31Å; L46-V75 WeakPolarHBondContact O-CA 3.47Å
76A97.9Very high95.3Very high3 Ų367.7 Ų67.73%0.02537%0.373CS..EExtended strand (participates in β ladder)trans-84.5133172.900000110.1F27 N45 L46 I81F27-A76 HydrophobicContact CE1-CB 3.9Å; F27-A76 HydrophobicContact CZ-CB 3.77Å; N45-A76 CarbonylContact C-O 3.5Å; N45-A76 VanDerWaalsContact CA-O 3.26Å; N45-A76 WeakPolarHBondContact CA-O 3.42Å; L46-A76 HydrophobicContact CB-CB 4.08Å; L46-A76 HydrophobicContact CG-CB 4.47Å; L46-A76 PolarHBondContact N-O 3.49Å; L46-A76 PolarHBondContact O-N 2.91Å; A76-I81 HydrophobicContact CB-CD1 4.26Å
77R97.6Very high96.2Very high154 Ų15467 Ų6758%0.58137%0.372SS*.  trans-84.4116.9-178.1-74.9-72.5-59.9-165.7-1.9110.8N79 T80 I81R77-N79 PolarHBondContact NE-OD1 3.5Å; R77-N79 PolarHBondContact NH2-OD1 2.79Å; R77-N79 PolarHBondContact O-N 2.83Å; R77-N79 VanDerWaalsContact O-N 3.16Å; R77-T80 PolarHBondContact O-N 2.88Å; R77-T80 VanDerWaalsContact O-N 3.1Å; R77-T80 PolarHBondContact O-OG1 3.08Å; R77-I81 WeakPolarHBondContact O-CG1 3.23Å
78G96.2Very high96.5Very high11 Ų1171.9 Ų71.911%0.11339%0.392CS..G310 helixtrans-61-28.5-174.200000114.8L43 L44 N45 T80 I81L43-G78 WeakPolarHBondContact O-CA 3.27Å; L44-G78 WeakPolarHBondContact O-CA 3.27Å; N45-G78 PolarHBondContact OD1-N 3.42Å; G78-T80 PolarHBondContact O-N 3.02Å; G78-T80 VanDerWaalsContact O-N 3.16Å; G78-I81 PolarHBondContact O-N 3.4Å
79N96.7Very high96.4Very high108 Ų10870.8 Ų70.858%0.57840%0.399SS*.G310 helixtrans-67.6-13.5178.770.5-77.5000114.5R77R77-N79 PolarHBondContact NE-OD1 3.5Å; R77-N79 PolarHBondContact NH2-OD1 2.79Å; R77-N79 PolarHBondContact O-N 2.83Å; R77-N79 VanDerWaalsContact O-N 3.16Å
80T96.9Very high96.2Very high42 Ų4269.8 Ų69.826%0.25840%0.401SS..G310 helixtrans-111.6-0.6177.856.70000112.8F27 Q28 R77 G78F27-T80 CarbonylContact C-O 3.6Å; F27-T80 WeakPolarHBondContact CA-O 3.47Å; Q28-T80 PolarHBondContact N-O 2.84Å; R77-T80 PolarHBondContact O-N 2.88Å; R77-T80 VanDerWaalsContact O-N 3.1Å; R77-T80 PolarHBondContact O-OG1 3.08Å; G78-T80 PolarHBondContact O-N 3.02Å; G78-T80 VanDerWaalsContact O-N 3.16Å
81I97Very high95.8Very high28 Ų2871.5 Ų71.514%0.14441%0.405CS..EExtended strand (participates in β ladder)trans-80.5130.2-177.7-65.4175.3000109.3V25 F27 L44 L46 A76 R77 G78 I84V25-I81 HydrophobicContact CG1-CD1 4.2Å; V25-I81 HydrophobicContact CG1-CG1 4.01Å; V25-I81 HydrophobicContact CG1-CG2 3.91Å; F27-I81 HydrophobicContact CD1-CG1 3.91Å; F27-I81 HydrophobicContact CE1-CD1 4.39Å; F27-I81 HydrophobicContact CE1-CG1 3.63Å; L44-I81 VanDerWaalsContact O-CD1 3.28Å; L44-I81 WeakPolarHBondContact O-CD1 3.41Å; L46-I81 HydrophobicContact CD1-CD1 3.71Å; L46-I81 HydrophobicContact CG-CD1 3.78Å; A76-I81 HydrophobicContact CB-CD1 4.26Å; R77-I81 WeakPolarHBondContact O-CG1 3.23Å; G78-I81 PolarHBondContact O-N 3.4Å; I81-I84 HydrophobicContact CG2-CD1 4.08Å; I81-I84 HydrophobicContact CG2-CG1 3.66Å
82L96.7Very high95.3Very high120 Ų12078 Ų7863%0.62843%0.433SS*.EExtended strand (participates in β ladder)trans-104.3-41.6175.6-63.2179.9000111.9K26 Q28K26-L82 PolarHBondContact O-N 3.12Å; Q28-L82 HydrophobicContact CB-CD1 4.47Å; Q28-L82 HydrophobicContact CB-CG 4.45Å
83V96Very high94.9Very high68 Ų6881.9 Ų81.941%0.41245%0.448SS..EExtended strand (participates in β ladder)trans-137138.2-175.8-177.30000109.6V25 K26 A85V25-V83 WeakPolarHBondContact CA-O 3.27Å; K26-V83 HydrophobicContact CB-CB 4.08Å; K26-V83 HydrophobicContact CB-CG2 4.41Å; K26-V83 HydrophobicContact CG-CB 4.28Å; K26-V83 PolarHBondContact N-O 2.65Å; K26-V83 PolarHBondContact O-N 2.72Å; V83-A85 HydrophobicContact CG1-CB 4.31Å
84I96.3Very high94.5Very high40 Ų4082.3 Ų82.321%0.20546%0.455CS..EExtended strand (participates in β ladder)trans-126.4122.2166.5-56.7171.5000106.2L15 L18 I23 L46 I81L15-I84 HydrophobicContact CD1-CD1 3.92Å; L15-I84 HydrophobicContact CD2-CD1 4.15Å; L15-I84 HydrophobicContact CD2-CG2 4.09Å; L18-I84 HydrophobicContact CD1-CG2 4.21Å; I23-I84 HydrophobicContact CD1-CG2 3.98Å; L46-I84 HydrophobicContact CD1-CD1 4Å; L46-I84 HydrophobicContact CD1-CG1 4.29Å; L46-I84 HydrophobicContact CD2-CD1 4.28Å; I81-I84 HydrophobicContact CG2-CD1 4.08Å; I81-I84 HydrophobicContact CG2-CG1 3.66Å
85A95.9Very high94.1Very high24 Ų2485.2 Ų85.220%0.19847%0.471CS..EExtended strand (participates in β ladder)trans-142.2145.3179.800000111.6I23 V24 V83 A87 M90I23-A85 CarbonylContact C-O 3.56Å; I23-A85 VanDerWaalsContact CA-O 3.3Å; I23-A85 WeakPolarHBondContact CA-O 2.87Å; I23-A85 WeakPolarHBondContact CB-O 3.39Å; V24-A85 PolarHBondContact N-O 3.5Å; V24-A85 PolarHBondContact O-N 3Å; V83-A85 HydrophobicContact CG1-CB 4.31Å; A85-A87 PolarHBondContact O-N 2.73Å; A85-M90 HydrophobicContact CB-CE 3.27Å; A85-M90 HydrophobicContact CB-SD 4.3Å; A85-M90 VanDerWaalsContact O-CE 3.27Å; A85-M90 WeakPolarHBondContact O-CE 3.3Å
86P96.6Very high93.7Very high59 Ų5984.6 Ų84.638%0.38347%0.469SS..EExtended strand (participates in β ladder)trans-67.1130.2177.628.1-33.6000110.4L18 D88 M90L18-P86 HydrophobicContact CD2-CB 4.04Å; P86-D88 PolarHBondContact O-N 3.23Å; P86-M90 WeakPolarHBondContact O-CE 3.43Å; P86-M90 WeakPolarHBondContact O-CG 3.26Å
87A95Very high93.3Very high33 Ų3393.1 Ų93.127%0.27351%0.506SS..SBendtrans-65.5-26.7177.700000112.4P22 V24 A85 G89 M90P22-A87 HydrophobicContact CB-CB 3.83Å; P22-A87 HydrophobicContact CG-CB 4.09Å; P22-A87 WeakPolarHBondContact O-CB 3.4Å; P22-A87 PolarHBondContact O-N 2.9Å; V24-A87 HydrophobicContact CG2-CB 4.25Å; A85-A87 PolarHBondContact O-N 2.73Å; A87-G89 PolarHBondContact O-N 3.32Å; A87-M90 PolarHBondContact O-N 3.35Å
88D92.2Very high92.8Very high144 Ų14489.2 Ų89.277%0.7750%0.499SS*.THydrogen-bonded Turntrans-66.1127.7174.1-170.623.1000111P86 M90P86-D88 PolarHBondContact O-N 3.23Å; D88-M90 VanDerWaalsContact C-N 3.3Å; D88-M90 PolarHBondContact O-N 3.28Å
89G90.4Very high92.1Very high72 Ų7294.2 Ų94.274%0.74252%0.52SS*.THydrogen-bonded Turntrans78.51.9-174.500000115.6A87A87-G89 PolarHBondContact O-N 3.32Å
90M90.2Very high90.9Very high92 Ų9294.8 Ų94.845%0.45353%0.529SS..  trans-84.1121.9168.7-77.8-160.5-115.800110.7V24 A85 P86 A87 D88V24-M90 HydrophobicContact CB-CE 3.73Å; V24-M90 HydrophobicContact CB-SD 4.42Å; V24-M90 HydrophobicContact CG2-CE 3.6Å; V24-M90 HydrophobicContact CG2-SD 4.13Å; A85-M90 HydrophobicContact CB-CE 3.27Å; A85-M90 HydrophobicContact CB-SD 4.3Å; A85-M90 VanDerWaalsContact O-CE 3.27Å; A85-M90 WeakPolarHBondContact O-CE 3.3Å; P86-M90 WeakPolarHBondContact O-CE 3.43Å; P86-M90 WeakPolarHBondContact O-CG 3.26Å; A87-M90 PolarHBondContact O-N 3.35Å; D88-M90 VanDerWaalsContact C-N 3.3Å; D88-M90 PolarHBondContact O-N 3.28Å
91E89.9Confident89.8Confident161 Ų161100 Ų10075%0.75256%0.555SS**  trans-136.2146.2173.661.7177.9-173.800111.1I93E91-I93 HydrophobicContact CG-CG2 3.88Å; E91-I93 PolarHBondContact O-N 3.44Å
92Q87.7Confident88.2Confident199 Ų199105.6 Ų105.693%0.9358%0.583SS**  trans-76.4118.9169.7-177.5176.8-2.500108.5
93I89.5Confident86.2Confident105 Ų105106.9 Ų106.954%0.53861%0.611SS.*  trans-106.4154.4176.963.2171.8000110.8E91 P96E91-I93 HydrophobicContact CG-CG2 3.88Å; E91-I93 PolarHBondContact O-N 3.44Å; I93-P96 HydrophobicContact CD1-CG 4.31Å
94V88.8Confident85.7Confident129 Ų129108.8 Ų108.878%0.78262%0.62SS**  trans-64.6159.6162.7-63.40000109.8P96V94-P96 VanDerWaalsContact O-CD 3.26Å; V94-P96 WeakPolarHBondContact O-CD 3.49Å
95N89.9Confident85.1Confident95 Ų95112.4 Ų112.451%0.50864%0.642SS.*  trans-57.4114.3177.1-178.6-18.1000110.2F97 V98N95-F97 PolarHBondContact O-N 3.39Å; N95-F97 VanDerWaalsContact O-N 3.11Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.37Å; N95-F97 PolarHBondContact OD1-N 2.79Å; N95-V98 HydrophobicContact CB-CG2 3.87Å; N95-V98 PolarHBondContact O-N 3.37Å
96P90.4Very high84.5Confident90 Ų90117.3 Ų117.358%0.58467%0.667SS**THydrogen-bonded Turntrans-74.6-2.4-171.931.7-36.6000113.7I93 V94I93-P96 HydrophobicContact CD1-CG 4.31Å; V94-P96 VanDerWaalsContact O-CD 3.26Å; V94-P96 WeakPolarHBondContact O-CD 3.49Å
97F89.5Confident83.8Confident181 Ų181120.8 Ų120.879%0.79468%0.684SS**THydrogen-bonded Turntrans-102-8.6179.2-55.2-73.5000113.4N95 Q99N95-F97 PolarHBondContact O-N 3.39Å; N95-F97 VanDerWaalsContact O-N 3.11Å; N95-F97 WeakPolarHBondContact OD1-CD2 3.37Å; N95-F97 PolarHBondContact OD1-N 2.79Å; F97-Q99 PolarHBondContact O-N 2.97Å
98V87.1Confident83.1Confident73 Ų73126.3 Ų126.344%0.44271%0.709SS.*SBendtrans-76.8116.4173179.50000107.3N95 A103N95-V98 HydrophobicContact CB-CG2 3.87Å; N95-V98 PolarHBondContact O-N 3.37Å; V98-A103 HydrophobicContact CG1-CB 4.44Å
99Q81.1Confident82.5Confident116 Ų116125.1 Ų125.154%0.54271%0.705SS.*  trans-60.7137.4172.7-67.3179.36.900108.3F97 D101 M102F97-Q99 PolarHBondContact O-N 2.97Å; Q99-D101 PolarHBondContact O-N 2.87Å; Q99-M102 HydrophobicContact CB-CG 4.4Å; Q99-M102 PolarHBondContact O-N 3.22Å
100P73.2Confident82Confident119 Ų119128.9 Ų128.977%0.77370%0.703SS**G310 helixtrans-52.5-26-179.2-26.233.3000113.7
101D71.9Confident81.3Confident151 Ų151131.7 Ų131.781%0.80772%0.722SS**G310 helixtrans-89.93-175.6-53.7-27.6000114Q99Q99-D101 PolarHBondContact O-N 2.87Å
102M63.6Low80.6Confident147 Ų147129.3 Ų129.372%0.72472%0.719SS**G310 helixtrans-115.312.6-179.8-67.7-163.2-179.800114.4Q99Q99-M102 HydrophobicContact CB-CG 4.4Å; Q99-M102 PolarHBondContact O-N 3.22Å
103A54.9Low80Confident146 Ų146122.9 Ų122.9100%1.20770%0.7SS**  trans-1050174.900000112.4V98V98-A103 HydrophobicContact CG1-CB 4.44Å

Retrieved 103 of 103 residues in 145.9 ms (Link to these results)