A0A077Z6E5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6E5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M42.2Very low47.3Very low194 Ų19488.6 Ų88.696%0.95650%0.499SS*.  0121.60-172.2-178.2-6300107.7G22M1-G22 PolarHBondContact N-O 3.49Å; M1-G22 WeakPolarHBondContact O-CA 3.43Å; M1-G22 PolarHBondContact O-N 3.49Å
2I46.7Very low47.2Very low59 Ų5984.8 Ų84.830%0.30348%0.482SS..EExtended strand (participates in β ladder)trans-109.1125.9-179.5-56.7178.5000107.7T4 V19 R20 V21 L90I2-T4 HydrophobicContact CG2-CG2 4.18Å; I2-V19 HydrophobicContact CG2-CG1 4.13Å; I2-R20 CarbonylContact C-O 3.47Å; I2-R20 WeakPolarHBondContact CA-O 3.28Å; I2-R20 WeakPolarHBondContact CG2-O 3.21Å; I2-V21 HydrophobicContact CD1-CG1 4.14Å; I2-V21 HydrophobicContact CD1-CG2 4.42Å; I2-V21 HydrophobicContact CG1-CB 4.44Å; I2-V21 HydrophobicContact CG1-CG1 4.04Å; I2-V21 HydrophobicContact CG1-CG2 4.4Å; I2-V21 HydrophobicContact CG2-CG2 4.19Å; I2-L90 HydrophobicContact CB-CD1 4.22Å; I2-L90 HydrophobicContact CD1-CD1 3.63Å; I2-L90 HydrophobicContact CD1-CD2 4.35Å; I2-L90 HydrophobicContact CG2-CD1 3.93Å
3D46.9Very low47.3Very low99 Ų9987.2 Ų87.253%0.52950%0.5SS..EExtended strand (participates in β ladder)trans-114.9122.3178.517620.5000109R20D3-R20 HydrophobicContact CB-CB 4.17Å; D3-R20 PolarHBondContact N-O 3.04Å; D3-R20 PolarHBondContact O-N 3.41Å
4T47.3Very low47.1Very low49 Ų4981.1 Ų81.130%0.30147%0.465SS..EExtended strand (participates in β ladder)trans-118.6124-177.258.90000109.5I2 S18 V19 F76I2-T4 HydrophobicContact CG2-CG2 4.18Å; T4-S18 CarbonylContact C-O 3.31Å; T4-S18 WeakPolarHBondContact CA-O 3.49Å; T4-V19 HydrophobicContact CG2-CG1 4.19Å; T4-V19 HydrophobicContact CG2-CG2 4.25Å; T4-F76 HydrophobicContact CG2-CE1 4.09Å; T4-F76 HydrophobicContact CG2-CE2 4Å; T4-F76 HydrophobicContact CG2-CZ 3.64Å
5G45.8Very low47.1Very low23 Ų2378.2 Ų78.224%0.23745%0.448CS..EExtended strand (participates in β ladder)trans-119.6133.6175.400000110.3M17 S18G5-M17 CarbonylContact O-C 3.41Å; G5-M17 VanDerWaalsContact O-CA 3.31Å; G5-M17 WeakPolarHBondContact O-CA 3.25Å; G5-S18 PolarHBondContact N-O 3.39Å; G5-S18 PolarHBondContact O-N 2.85Å; G5-S18 PolarHBondContact O-OG 2.97Å
6V47.5Very low47.2Very low69 Ų6973.8 Ų73.842%0.41842%0.423SS..EExtended strand (participates in β ladder)trans-108.2130.6168.1-178.20000107.5L15 S16 M17V6-L15 HydrophobicContact CG1-CB 4.12Å; V6-L15 HydrophobicContact CG1-CD1 4.01Å; V6-L15 HydrophobicContact CG1-CD2 4.42Å; V6-L15 HydrophobicContact CG1-CG 4.43Å; V6-S16 CarbonylContact C-O 3.5Å; V6-S16 VanDerWaalsContact CA-O 3.3Å; V6-S16 WeakPolarHBondContact CA-O 3.21Å; V6-M17 HydrophobicContact CG2-CE 4.1Å; V6-M17 HydrophobicContact CG2-CG 4.2Å
7T48.1Very low47.4Very low88 Ų8870.6 Ų70.654%0.5440%0.404SS..EExtended strand (participates in β ladder)trans-131.4133.3179-39.90000108.7L9 S16T7-L9 PolarHBondContact O-N 3.04Å; T7-S16 PolarHBondContact N-O 3.14Å; T7-S16 WeakPolarHBondContact O-CA 3.45Å; T7-S16 WeakPolarHBondContact O-CB 3.2Å; T7-S16 PolarHBondContact O-N 3.03Å
8R47.5Very low47.5Very low174 Ų17468.4 Ų68.466%0.65739%0.394SS*.EExtended strand (participates in β ladder)trans-66.9132.2172.7-163.5175.2-171.1-144.32.4109.3P10 L15R8-P10 WeakPolarHBondContact O-CD 3.35Å; R8-L15 HydrophobicContact CB-CD2 4.33Å; R8-L15 HydrophobicContact CG-CD2 4.28Å
9L50Low47.6Very low46 Ų4664.9 Ų64.924%0.24137%0.374CS..PPolyproline II helixtrans-67.3128.5173.7-79.5174000109.3T7 G11 S12 G14 T37 V39T7-L9 PolarHBondContact O-N 3.04Å; L9-G11 PolarHBondContact O-N 3.09Å; L9-G11 VanDerWaalsContact O-N 3.07Å; L9-S12 WeakPolarHBondContact CB-OG 3.4Å; L9-S12 WeakPolarHBondContact CD1-OG 3.29Å; L9-S12 PolarHBondContact O-N 3.47Å; L9-G14 PolarHBondContact N-O 3.48Å; L9-T37 HydrophobicContact CD1-CG2 3.5Å; L9-T37 VanDerWaalsContact CD1-CG2 3.5Å; L9-T37 HydrophobicContact CD2-CG2 3.79Å; L9-T37 HydrophobicContact CG-CG2 3.9Å; L9-V39 HydrophobicContact CD1-CG2 4.5Å
10P46.2Very low47.7Very low126 Ų12668.6 Ų68.682%0.81838%0.381SS*.THydrogen-bonded Turntrans-57.9118.2173.6-22.232.6000109.7R8R8-P10 WeakPolarHBondContact O-CD 3.35Å
11G51.9Low47.8Very low48 Ų4865.7 Ų65.750%0.49537%0.365SS..THydrogen-bonded Turntrans84.710.6175.200000117.7L9L9-G11 PolarHBondContact O-N 3.09Å; L9-G11 VanDerWaalsContact O-N 3.07Å
12S46.8Very low47.9Very low42 Ų4257.6 Ų57.629%0.29433%0.331SS..SBendtrans-129.9162.6170.985.70000112L9 G14L9-S12 WeakPolarHBondContact CB-OG 3.4Å; L9-S12 WeakPolarHBondContact CD1-OG 3.29Å; L9-S12 PolarHBondContact O-N 3.47Å; S12-G14 PolarHBondContact O-N 2.89Å; S12-G14 WeakPolarHBondContact OG-CA 3.45Å; S12-G14 PolarHBondContact OG-N 2.78Å
13T47.8Very low48Very low117 Ų11757 Ų5772%0.71833%0.329SS*.SBendtrans-76.3-4.3165.848.70000112
14G45.4Very low47.9Very low1 Ų157.2 Ų57.21%0.0134%0.335CS..  trans-79.8156.6-179.300000113.4L9 S12L9-G14 PolarHBondContact N-O 3.48Å; S12-G14 PolarHBondContact O-N 2.89Å; S12-G14 WeakPolarHBondContact OG-CA 3.45Å; S12-G14 PolarHBondContact OG-N 2.78Å
15L46.4Very low47.7Very low38 Ų3861.9 Ų61.920%0.19936%0.358CS..EExtended strand (participates in β ladder)trans-104.5159.1172.9-62.6-177.2000109.6V6 R8 F38 I40 P69V6-L15 HydrophobicContact CG1-CB 4.12Å; V6-L15 HydrophobicContact CG1-CD1 4.01Å; V6-L15 HydrophobicContact CG1-CD2 4.42Å; V6-L15 HydrophobicContact CG1-CG 4.43Å; R8-L15 HydrophobicContact CB-CD2 4.33Å; R8-L15 HydrophobicContact CG-CD2 4.28Å; L15-F38 CarbonylContact C-O 3.57Å; L15-F38 PolarHBondContact N-O 2.96Å; L15-F38 CarbonylContact O-C 3.43Å; L15-F38 PolarHBondContact O-N 2.85Å; L15-I40 HydrophobicContact CD1-CD1 4.27Å; L15-P69 HydrophobicContact CD1-CB 3.39Å; L15-P69 HydrophobicContact CD1-CG 3.56Å; L15-P69 HydrophobicContact CG-CB 4.46Å; L15-P69 HydrophobicContact CG-CG 4.29Å
16S48.2Very low47.7Very low8 Ų866.6 Ų66.66%0.05638%0.383CS..EExtended strand (participates in β ladder)trans-121.5133.1169.8-172.90000107.2V6 T7 T37V6-S16 CarbonylContact C-O 3.5Å; V6-S16 VanDerWaalsContact CA-O 3.3Å; V6-S16 WeakPolarHBondContact CA-O 3.21Å; T7-S16 PolarHBondContact N-O 3.14Å; T7-S16 WeakPolarHBondContact O-CA 3.45Å; T7-S16 WeakPolarHBondContact O-CB 3.2Å; T7-S16 PolarHBondContact O-N 3.03Å; S16-T37 PolarHBondContact OG-OG1 3.18Å
17M50.9Low47.2Very low19 Ų1971.4 Ų71.49%0.09440%0.401CS..EExtended strand (participates in β ladder)trans-119.5115.6178.7-172.6-173.8-72.400109.9G5 V6 V19 N36 F38 L64 F76G5-M17 CarbonylContact O-C 3.41Å; G5-M17 VanDerWaalsContact O-CA 3.31Å; G5-M17 WeakPolarHBondContact O-CA 3.25Å; V6-M17 HydrophobicContact CG2-CE 4.1Å; V6-M17 HydrophobicContact CG2-CG 4.2Å; M17-V19 HydrophobicContact CG-CG2 4.09Å; M17-V19 HydrophobicContact SD-CG2 4.09Å; M17-N36 CarbonylContact C-O 3.48Å; M17-N36 VanDerWaalsContact C-O 3.31Å; M17-N36 WeakPolarHBondContact CA-O 3.2Å; M17-N36 PolarHBondContact N-O 3.24Å; M17-N36 CarbonylContact O-C 3.49Å; M17-N36 PolarHBondContact O-N 2.94Å; M17-F38 HydrophobicContact CB-CD2 3.56Å; M17-F38 HydrophobicContact CB-CE2 3.77Å; M17-F38 HydrophobicContact CG-CE2 4.38Å; M17-F38 HydrophobicContact SD-CD2 4.35Å; M17-F38 HydrophobicContact SD-CE2 4.01Å; M17-L64 HydrophobicContact CE-CD2 4.43Å; M17-L64 HydrophobicContact SD-CD1 4Å; M17-L64 HydrophobicContact SD-CD2 3.77Å; M17-F76 HydrophobicContact SD-CE1 3.86Å; M17-F76 HydrophobicContact SD-CZ 3.87Å
18S49.7Very low46.8Very low32 Ų3274.7 Ų74.722%0.22442%0.415CS..EExtended strand (participates in β ladder)trans-92.9128.3168.157.40000109.6T4 G5 L34T4-S18 CarbonylContact C-O 3.31Å; T4-S18 WeakPolarHBondContact CA-O 3.49Å; G5-S18 PolarHBondContact N-O 3.39Å; G5-S18 PolarHBondContact O-N 2.85Å; G5-S18 PolarHBondContact O-OG 2.97Å; S18-L34 WeakPolarHBondContact CA-O 3.42Å
19V49.4Very low46.5Very low2 Ų270 Ų701%0.01241%0.406CS..EExtended strand (participates in β ladder)trans-117.5115172.2-177.50000107.5I2 T4 M17 V21 L34 L62 F76I2-V19 HydrophobicContact CG2-CG1 4.13Å; T4-V19 HydrophobicContact CG2-CG1 4.19Å; T4-V19 HydrophobicContact CG2-CG2 4.25Å; M17-V19 HydrophobicContact CG-CG2 4.09Å; M17-V19 HydrophobicContact SD-CG2 4.09Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V19-L34 PolarHBondContact N-O 2.89Å; V19-L34 PolarHBondContact O-N 3.23Å; V19-L34 VanDerWaalsContact O-O 3.13Å; V19-L62 HydrophobicContact CB-CD2 4.36Å; V19-L62 HydrophobicContact CG1-CD2 4.15Å; V19-L62 HydrophobicContact CG2-CD2 4.07Å; V19-F76 HydrophobicContact CG2-CE1 3.85Å
20R49.4Very low46Very low138 Ų13877.8 Ų77.852%0.52143%0.432SS..EExtended strand (participates in β ladder)trans-101.8114.3172.4-68.7176.9-179.9-117.4-0.5107.8I2 D3 C33I2-R20 CarbonylContact C-O 3.47Å; I2-R20 WeakPolarHBondContact CA-O 3.28Å; I2-R20 WeakPolarHBondContact CG2-O 3.21Å; D3-R20 HydrophobicContact CB-CB 4.17Å; D3-R20 PolarHBondContact N-O 3.04Å; D3-R20 PolarHBondContact O-N 3.41Å; R20-C33 HydrophobicContact CG-CB 4.47Å
21V49.9Very low45.7Very low8 Ų876 Ų765%0.04842%0.422CS..EExtended strand (participates in β ladder)trans-102.2110.8175.7-177.60000108.4I2 V19 L23 V32 M54 M78I2-V21 HydrophobicContact CD1-CG1 4.14Å; I2-V21 HydrophobicContact CD1-CG2 4.42Å; I2-V21 HydrophobicContact CG1-CB 4.44Å; I2-V21 HydrophobicContact CG1-CG1 4.04Å; I2-V21 HydrophobicContact CG1-CG2 4.4Å; I2-V21 HydrophobicContact CG2-CG2 4.19Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V21-L23 HydrophobicContact CG1-CD2 4.23Å; V21-L23 HydrophobicContact CG1-CG 4.44Å; V21-V32 PolarHBondContact N-O 3.15Å; V21-V32 PolarHBondContact O-N 3.45Å; V21-M54 HydrophobicContact CB-CE 4.36Å; V21-M54 HydrophobicContact CG1-CE 4.29Å; V21-M78 HydrophobicContact CG1-CE 4.36Å
22G44.5Very low45.3Very low24 Ų2475.4 Ų75.425%0.24741%0.409CS..  trans-91.3112.4166.700000109.7M1M1-G22 PolarHBondContact N-O 3.49Å; M1-G22 WeakPolarHBondContact O-CA 3.43Å; M1-G22 PolarHBondContact O-N 3.49Å
23L48.9Very low45.1Very low46 Ų4676.8 Ų76.824%0.24142%0.418CS..  trans-79.2143.7177.7-71171.6000111.3V21 N25 V29 M54 M78V21-L23 HydrophobicContact CG1-CD2 4.23Å; V21-L23 HydrophobicContact CG1-CG 4.44Å; L23-N25 PolarHBondContact O-N 3.43Å; L23-V29 HydrophobicContact CD1-CB 3.88Å; L23-V29 HydrophobicContact CD1-CG1 3.56Å; L23-V29 HydrophobicContact CD1-CG2 4.27Å; L23-M54 HydrophobicContact CD1-CE 4.34Å; L23-M54 HydrophobicContact CD1-SD 3.45Å; L23-M54 WeakPolarHBondContact CD1-SD 3.4Å; L23-M54 HydrophobicContact CG-SD 4.35Å; L23-M78 HydrophobicContact CD2-CE 4.1Å
24P44.3Very low45.1Very low104 Ų10472.8 Ų72.868%0.67539%0.392SS*.  trans-62.4135.3170.826.6-31000109.3T26P24-T26 VanDerWaalsContact C-N 3.33Å; P24-T26 PolarHBondContact O-N 3.15Å
25N43.7Very low45.1Very low146 Ų14682 Ų8278%0.78143%0.426SS*.  trans-7474.4-164.8-162.719.4000112.5L23L23-N25 PolarHBondContact O-N 3.43Å
26T44.7Very low45.1Very low122 Ų12281.8 Ų81.875%0.74843%0.426SS*.SBendtrans-106.853.6169.957.30000110.7P24P24-T26 VanDerWaalsContact C-N 3.33Å; P24-T26 PolarHBondContact O-N 3.15Å
27E38.5Very low44.8Very low170 Ų17084.4 Ų84.479%0.79444%0.441SS*.SBendtrans97.7102.8178.2-51.7174.1164.600114.8V29E27-V29 PolarHBondContact O-N 3.23Å
28N39.5Very low44.6Very low158 Ų15884.4 Ų84.485%0.84544%0.44SS*.  trans62.84.7153.7-77.8-38.8000122.1R30N28-R30 PolarHBondContact O-N 3.07Å; N28-R30 VanDerWaalsContact O-N 3.12Å
29V40Very low44.3Very low75 Ų7587.1 Ų87.146%0.45546%0.456SS..  trans-84.497.2176.4-166.80000112L23 E27L23-V29 HydrophobicContact CD1-CB 3.88Å; L23-V29 HydrophobicContact CD1-CG1 3.56Å; L23-V29 HydrophobicContact CD1-CG2 4.27Å; E27-V29 PolarHBondContact O-N 3.23Å
30R39.5Very low44.1Very low209 Ų20989.3 Ų89.379%0.78947%0.467SS*.  trans-61.9134.2164.6-68.6-179.8-180-174.80.5108.5N28N28-R30 PolarHBondContact O-N 3.07Å; N28-R30 VanDerWaalsContact O-N 3.12Å
31S40.6Very low43.7Very low89 Ų8986 Ų8662%0.62246%0.463SS*.  trans-36.9135.6-175.745.90000114.7
32V42.8Very low43.5Very low35 Ų3591.7 Ų91.721%0.21250%0.498CS..EExtended strand (participates in β ladder)trans-94.2114.2172.2-176.80000108V21 L34 V52 M54V21-V32 PolarHBondContact N-O 3.15Å; V21-V32 PolarHBondContact O-N 3.45Å; V32-L34 HydrophobicContact CG1-CD1 4.33Å; V32-L34 HydrophobicContact CG1-CD2 4.45Å; V32-L34 HydrophobicContact CG1-CG 4.03Å; V32-V52 HydrophobicContact CG1-CG1 3.98Å; V32-M54 HydrophobicContact CB-CE 3.8Å; V32-M54 HydrophobicContact CB-SD 4.43Å; V32-M54 HydrophobicContact CG1-CE 4.34Å; V32-M54 HydrophobicContact CG2-CE 3.66Å; V32-M54 HydrophobicContact CG2-CG 4.04Å; V32-M54 HydrophobicContact CG2-SD 3.62Å
33C44.2Very low43.2Very low72 Ų7297.9 Ų97.949%0.48652%0.52SS..EExtended strand (participates in β ladder)trans-94.4104.8172.5-173.60000108.7R20R20-C33 HydrophobicContact CG-CB 4.47Å
34L47.2Very low42.9Very low32 Ų32103.2 Ų103.217%0.16854%0.544CS..EExtended strand (participates in β ladder)trans-94.9109.5170.7-65.6147.1000107.3S18 V19 V32 L50 V52S18-L34 WeakPolarHBondContact CA-O 3.42Å; V19-L34 PolarHBondContact N-O 2.89Å; V19-L34 PolarHBondContact O-N 3.23Å; V19-L34 VanDerWaalsContact O-O 3.13Å; V32-L34 HydrophobicContact CG1-CD1 4.33Å; V32-L34 HydrophobicContact CG1-CD2 4.45Å; V32-L34 HydrophobicContact CG1-CG 4.03Å; L34-L50 HydrophobicContact CB-CD2 4.27Å; L34-L50 HydrophobicContact CD1-CD2 4.25Å; L34-L50 HydrophobicContact CD2-CD2 4.35Å; L34-V52 HydrophobicContact CD1-CB 4.09Å; L34-V52 HydrophobicContact CD1-CG1 3.77Å; L34-V52 HydrophobicContact CD1-CG2 3.17Å; L34-V52 HydrophobicContact CD2-CG1 4.05Å; L34-V52 HydrophobicContact CD2-CG2 3.94Å; L34-V52 HydrophobicContact CG-CG1 4.31Å; L34-V52 HydrophobicContact CG-CG2 4.14Å
35R45.1Very low42.8Very low195 Ų195101.6 Ų101.674%0.73654%0.54SS*.EExtended strand (participates in β ladder)trans-96.396.6167.6-170.3177.4-179.1-161-0.1106.9
36N45.6Very low42.9Very low34 Ų34101.9 Ų101.918%0.18254%0.536CS..EExtended strand (participates in β ladder)trans-107.9122.8177.4-149.622.9000110.5M17 F38 L50M17-N36 CarbonylContact C-O 3.48Å; M17-N36 VanDerWaalsContact C-O 3.31Å; M17-N36 WeakPolarHBondContact CA-O 3.2Å; M17-N36 PolarHBondContact N-O 3.24Å; M17-N36 CarbonylContact O-C 3.49Å; M17-N36 PolarHBondContact O-N 2.94Å; N36-F38 HydrophobicContact CB-CE1 4.28Å; N36-F38 HydrophobicContact CB-CE2 3.78Å; N36-F38 HydrophobicContact CB-CZ 3.67Å; N36-F38 WeakPolarHBondContact ND2-CE1 3.45Å; N36-F38 WeakPolarHBondContact ND2-CZ 3.21Å; N36-F38 PolarHBondContact O-N 2.89Å; N36-L50 HydrophobicContact CB-CD2 4.14Å
37T42.3Very low43Very low62 Ų62101.7 Ų101.738%0.3853%0.527SS..  trans-94.5109.6-179.1-63.90000108.2L9 S16L9-T37 HydrophobicContact CD1-CG2 3.5Å; L9-T37 VanDerWaalsContact CD1-CG2 3.5Å; L9-T37 HydrophobicContact CD2-CG2 3.79Å; L9-T37 HydrophobicContact CG-CG2 3.9Å; S16-T37 PolarHBondContact OG-OG1 3.18Å
38F47.8Very low43.3Very low19 Ų1996.4 Ų96.48%0.08350%0.502CS..  trans-98.4102.4179-58.1-70.8000110.1L15 M17 N36 I40 Q48 L64L15-F38 CarbonylContact C-O 3.57Å; L15-F38 PolarHBondContact N-O 2.96Å; L15-F38 CarbonylContact O-C 3.43Å; L15-F38 PolarHBondContact O-N 2.85Å; M17-F38 HydrophobicContact CB-CD2 3.56Å; M17-F38 HydrophobicContact CB-CE2 3.77Å; M17-F38 HydrophobicContact CG-CE2 4.38Å; M17-F38 HydrophobicContact SD-CD2 4.35Å; M17-F38 HydrophobicContact SD-CE2 4.01Å; N36-F38 HydrophobicContact CB-CE1 4.28Å; N36-F38 HydrophobicContact CB-CE2 3.78Å; N36-F38 HydrophobicContact CB-CZ 3.67Å; N36-F38 WeakPolarHBondContact ND2-CE1 3.45Å; N36-F38 WeakPolarHBondContact ND2-CZ 3.21Å; N36-F38 PolarHBondContact O-N 2.89Å; F38-I40 VanDerWaalsContact C-N 3.32Å; F38-I40 HydrophobicContact CB-CG1 4.22Å; F38-I40 PolarHBondContact O-N 3.16Å; F38-Q48 HydrophobicContact CE1-CB 4.21Å; F38-L64 HydrophobicContact CD2-CD1 3.94Å; F38-L64 HydrophobicContact CE1-CD1 3.78Å; F38-L64 HydrophobicContact CE2-CD1 3.18Å; F38-L64 HydrophobicContact CZ-CD1 3.05Å; F38-L64 HydrophobicContact CZ-CG 4.43Å
39V42.7Very low43.7Very low90 Ų9093.1 Ų93.155%0.54548%0.482SS..  trans-71.298.9163.8-175.80000106.1L9 P41L9-V39 HydrophobicContact CD1-CG2 4.5Å; V39-P41 WeakPolarHBondContact O-CD 3.48Å
40I45.7Very low44Very low48 Ų4890.9 Ų90.925%0.24647%0.467CS..  trans-79.8109176.4-55.7176.6000106.6L15 F38 T68 P69L15-I40 HydrophobicContact CD1-CD1 4.27Å; F38-I40 VanDerWaalsContact C-N 3.32Å; F38-I40 HydrophobicContact CB-CG1 4.22Å; F38-I40 PolarHBondContact O-N 3.16Å; I40-T68 HydrophobicContact CG2-CG2 3.71Å; I40-P69 HydrophobicContact CB-CG 4.11Å; I40-P69 HydrophobicContact CD1-CG 3.88Å; I40-P69 VanDerWaalsContact CG2-CD 3.45Å; I40-P69 HydrophobicContact CG2-CG 4.21Å
41P40.3Very low44.2Very low67 Ų6786.7 Ų86.744%0.43546%0.458SS..  trans-61.5142.6171.727-31.6000108.4V39 Q43V39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-Q43 PolarHBondContact O-N 3.47Å
42T45Very low44.5Very low128 Ų12882.8 Ų82.879%0.78543%0.43SS*.SBendtrans-62.4-1-179.934.60000114.1
43Q38.3Very low44.4Very low154 Ų15485.5 Ų85.572%0.7245%0.448SS*.SBendtrans-125.1121.8-178.5-75.4173.3-7.500108.5P41P41-Q43 PolarHBondContact O-N 3.47Å
44E42.5Very low44.4Very low158 Ų15884.3 Ų84.374%0.73844%0.436SS*.  trans75.5121.4163-60.7172.1179.200116.1E46E44-E46 PolarHBondContact O-N 3.47Å
45A43.1Very low44.1Very low70 Ų7086.4 Ų86.458%0.57945%0.447SS*.  trans-70.974178.600000110.2Q47A45-Q47 PolarHBondContact O-N 2.78Å
46E44.5Very low44Very low153 Ų15383 Ų8372%0.71545%0.45SS*.  trans-71.5120.3170-72-163.2121.300109.3E44 Q48E44-E46 PolarHBondContact O-N 3.47Å; E46-Q48 PolarHBondContact O-N 3.23Å; E46-Q48 VanDerWaalsContact O-N 3.13Å
47Q47.4Very low44Very low117 Ų11786 Ų8655%0.54747%0.474SS..  trans-59115.4170.3-71.4178.7-7.300108.5A45A45-Q47 PolarHBondContact O-N 2.78Å
48Q46Very low44Very low59 Ų5986.9 Ų86.928%0.27647%0.474SS..EExtended strand (participates in β ladder)trans-95.2119.2177.5-73-179.9-14.800109.4F38 E46 L64F38-Q48 HydrophobicContact CE1-CB 4.21Å; E46-Q48 PolarHBondContact O-N 3.23Å; E46-Q48 VanDerWaalsContact O-N 3.13Å; Q48-L64 PolarHBondContact N-O 3.12Å; Q48-L64 PolarHBondContact O-N 2.84Å
49H47.6Very low43.9Very low90 Ų9089.7 Ų89.742%0.41749%0.488SS..EExtended strand (participates in β ladder)trans-92.1118.2176.7-62.2-82.6000108.8E61 R63H49-E61 IonicContact CE1-OE1 3.66Å; H49-E61 IonicContact CG-OE1 3.89Å; H49-E61 IonicContact ND1-OE1 2.85Å; H49-E61 PolarHBondContact ND1-OE1 2.85Å; H49-R63 PolarHBondContact CE1-NE 2.9Å; H49-R63 PolarHBondContact CE1-NH2 3.13Å
50L46.7Very low43.9Very low27 Ų2787.1 Ų87.114%0.14147%0.469CS..EExtended strand (participates in β ladder)trans-106.3115.2169.5179.763.2000108.8L34 N36 V52 L62L34-L50 HydrophobicContact CB-CD2 4.27Å; L34-L50 HydrophobicContact CD1-CD2 4.25Å; L34-L50 HydrophobicContact CD2-CD2 4.35Å; N36-L50 HydrophobicContact CB-CD2 4.14Å; L50-V52 HydrophobicContact CD2-CG2 4.48Å; L50-V52 HydrophobicContact CG-CG2 4.26Å; L50-L62 HydrophobicContact CB-CB 4.23Å; L50-L62 HydrophobicContact CB-CD2 4.43Å; L50-L62 HydrophobicContact CD2-CD2 4.02Å; L50-L62 PolarHBondContact N-O 3.04Å; L50-L62 WeakPolarHBondContact O-CA 3.43Å; L50-L62 WeakPolarHBondContact O-CB 3.48Å; L50-L62 PolarHBondContact O-N 2.76Å
51M43.1Very low43.9Very low122 Ų12287.4 Ų87.460%0.60147%0.469SS*.EExtended strand (participates in β ladder)trans-89.1129171.6-71.3176.948.800110.1M59M51-M59 HydrophobicContact CE-SD 3.48Å; M51-M59 WeakPolarHBondContact CE-SD 3.4Å
52V45.8Very low44.3Very low7 Ų784.8 Ų84.84%0.04245%0.452CS..EExtended strand (participates in β ladder)trans-115.1104.8-179.7-174.70000108.5V32 L34 L50 M54 Y60V32-V52 HydrophobicContact CG1-CG1 3.98Å; L34-V52 HydrophobicContact CD1-CB 4.09Å; L34-V52 HydrophobicContact CD1-CG1 3.77Å; L34-V52 HydrophobicContact CD1-CG2 3.17Å; L34-V52 HydrophobicContact CD2-CG1 4.05Å; L34-V52 HydrophobicContact CD2-CG2 3.94Å; L34-V52 HydrophobicContact CG-CG1 4.31Å; L34-V52 HydrophobicContact CG-CG2 4.14Å; L50-V52 HydrophobicContact CD2-CG2 4.48Å; L50-V52 HydrophobicContact CG-CG2 4.26Å; V52-M54 HydrophobicContact CG1-CE 3.98Å; V52-M54 HydrophobicContact CG1-CG 3.93Å; V52-M54 PolarHBondContact O-N 3.06Å; V52-Y60 PolarHBondContact N-O 2.84Å; V52-Y60 PolarHBondContact O-N 3.35Å; V52-Y60 VanDerWaalsContact O-N 3.15Å
53P41Very low44.3Very low91 Ų9182.8 Ų82.859%0.59143%0.43SS*.EExtended strand (participates in β ladder)trans-76.6108.7172.229.4-29.7000108.7
54M45.3Very low44.8Very low47 Ų4776.2 Ų76.223%0.23240%0.4CS..EExtended strand (participates in β ladder)trans-96.5-23.7172.4-66.1-153.6-170.200112.3V21 L23 V32 V52 Y60V21-M54 HydrophobicContact CB-CE 4.36Å; V21-M54 HydrophobicContact CG1-CE 4.29Å; L23-M54 HydrophobicContact CD1-CE 4.34Å; L23-M54 HydrophobicContact CD1-SD 3.45Å; L23-M54 WeakPolarHBondContact CD1-SD 3.4Å; L23-M54 HydrophobicContact CG-SD 4.35Å; V32-M54 HydrophobicContact CB-CE 3.8Å; V32-M54 HydrophobicContact CB-SD 4.43Å; V32-M54 HydrophobicContact CG1-CE 4.34Å; V32-M54 HydrophobicContact CG2-CE 3.66Å; V32-M54 HydrophobicContact CG2-CG 4.04Å; V32-M54 HydrophobicContact CG2-SD 3.62Å; V52-M54 HydrophobicContact CG1-CE 3.98Å; V52-M54 HydrophobicContact CG1-CG 3.93Å; V52-M54 PolarHBondContact O-N 3.06Å; M54-Y60 HydrophobicContact CB-CD2 4.13Å; M54-Y60 HydrophobicContact CB-CE2 4.24Å; M54-Y60 HydrophobicContact CE-CD2 4.38Å; M54-Y60 HydrophobicContact CG-CD2 3.88Å; M54-Y60 HydrophobicContact CG-CE2 4.31Å; M54-Y60 HydrophobicContact SD-CD2 4Å; M54-Y60 HydrophobicContact SD-CE2 4.12Å
55N39.8Very low44.8Very low76 Ų7671 Ų7141%0.40638%0.38SS..EExtended strand (participates in β ladder)trans-153146.2168.5179.4-40.3000106.2S57 Q58N55-S57 PolarHBondContact O-N 2.87Å; N55-S57 WeakPolarHBondContact OD1-CB 3.38Å; N55-S57 PolarHBondContact OD1-N 2.81Å; N55-S57 PolarHBondContact OD1-OG 2.92Å; N55-Q58 HydrophobicContact CB-CB 4.45Å; N55-Q58 PolarHBondContact N-O 3.25Å; N55-Q58 CarbonylContact O-C 3.42Å; N55-Q58 PolarHBondContact O-N 3.18Å
56P43.4Very low44.6Very low123 Ų12369.4 Ų69.480%0.79937%0.371SS*.THydrogen-bonded Turntrans-50-24.3171.617.1-31000114
57S45.3Very low44.2Very low97 Ų9765.7 Ų65.768%0.67836%0.36SS*.THydrogen-bonded Turntrans-91.6-10.7179.5-43.70000114.6N55N55-S57 PolarHBondContact O-N 2.87Å; N55-S57 WeakPolarHBondContact OD1-CB 3.38Å; N55-S57 PolarHBondContact OD1-N 2.81Å; N55-S57 PolarHBondContact OD1-OG 2.92Å
58Q43.3Very low44Very low82 Ų8262.4 Ų62.438%0.38335%0.348SS..EExtended strand (participates in β ladder)trans-141.5103-177-69-176.3-4.300110.3N55 A82N55-Q58 HydrophobicContact CB-CB 4.45Å; N55-Q58 PolarHBondContact N-O 3.25Å; N55-Q58 CarbonylContact O-C 3.42Å; N55-Q58 PolarHBondContact O-N 3.18Å; Q58-A82 HydrophobicContact CG-CB 4.33Å
59M44Very low43.9Very low77 Ų7762.1 Ų62.138%0.37935%0.351SS..EExtended strand (participates in β ladder)trans-94.7129.9170.6-58.3-167.6-157.500109M51M51-M59 HydrophobicContact CE-SD 3.48Å; M51-M59 WeakPolarHBondContact CE-SD 3.4Å
60Y43.9Very low43.7Very low37 Ų3762.8 Ų62.815%0.14536%0.364CS..EExtended strand (participates in β ladder)trans-100.2122.3167.2-67.3-80.5000108.4V52 M54 M78 R79V52-Y60 PolarHBondContact N-O 2.84Å; V52-Y60 PolarHBondContact O-N 3.35Å; V52-Y60 VanDerWaalsContact O-N 3.15Å; M54-Y60 HydrophobicContact CB-CD2 4.13Å; M54-Y60 HydrophobicContact CB-CE2 4.24Å; M54-Y60 HydrophobicContact CE-CD2 4.38Å; M54-Y60 HydrophobicContact CG-CD2 3.88Å; M54-Y60 HydrophobicContact CG-CE2 4.31Å; M54-Y60 HydrophobicContact SD-CD2 4Å; M54-Y60 HydrophobicContact SD-CE2 4.12Å; Y60-M78 HydrophobicContact CD1-CE 3.12Å; Y60-M78 HydrophobicContact CD1-CG 3.84Å; Y60-M78 HydrophobicContact CD1-SD 4.18Å; Y60-M78 HydrophobicContact CD2-CE 4.03Å; Y60-M78 HydrophobicContact CE1-CE 3.49Å; Y60-M78 VanDerWaalsContact CE1-CE 3.49Å; Y60-M78 HydrophobicContact CE2-CE 4.35Å; Y60-M78 HydrophobicContact CG-CE 3.4Å; Y60-R79 WeakPolarHBondContact CA-O 3.38Å
61E44.6Very low43.2Very low53 Ų5368 Ų6825%0.24839%0.389CS..EExtended strand (participates in β ladder)trans-86.1121.7170.3-169.3-170.2166.900108.2H49 R63 M78 R79H49-E61 IonicContact CE1-OE1 3.66Å; H49-E61 IonicContact CG-OE1 3.89Å; H49-E61 IonicContact ND1-OE1 2.85Å; H49-E61 PolarHBondContact ND1-OE1 2.85Å; E61-R63 HydrophobicContact CG-CG 4.12Å; E61-R63 WeakPolarHBondContact OE1-CD 3.02Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 3.91Å; E61-R63 IonicContact OE1-NE 2.89Å; E61-R63 PolarHBondContact OE1-NE 3.36Å; E61-M78 WeakPolarHBondContact O-CA 3.47Å; E61-R79 PolarHBondContact N-O 2.73Å; E61-R79 PolarHBondContact O-N 2.87Å
62L49.2Very low42.8Very low12 Ų1265.5 Ų65.56%0.06339%0.388CS..EExtended strand (participates in β ladder)trans-100.4110.7168-171.282.1000107.7V19 L50 L64 F76V19-L62 HydrophobicContact CB-CD2 4.36Å; V19-L62 HydrophobicContact CG1-CD2 4.15Å; V19-L62 HydrophobicContact CG2-CD2 4.07Å; L50-L62 HydrophobicContact CB-CB 4.23Å; L50-L62 HydrophobicContact CB-CD2 4.43Å; L50-L62 HydrophobicContact CD2-CD2 4.02Å; L50-L62 PolarHBondContact N-O 3.04Å; L50-L62 WeakPolarHBondContact O-CA 3.43Å; L50-L62 WeakPolarHBondContact O-CB 3.48Å; L50-L62 PolarHBondContact O-N 2.76Å; L62-L64 HydrophobicContact CD2-CD2 4.37Å; L62-F76 HydrophobicContact CD1-CB 4.24Å; L62-F76 HydrophobicContact CD1-CD1 3.86Å; L62-F76 HydrophobicContact CD2-CD1 4.17Å; L62-F76 HydrophobicContact CD2-CE1 4.47Å; L62-F76 HydrophobicContact CG-CD1 4.11Å
63R45.4Very low42.4Very low86 Ų8669.8 Ų69.833%0.32541%0.41SS..EExtended strand (participates in β ladder)trans-93.5129.2173.6-71.3-177.4144.8-137-11.7110H49 E61 F76 A77H49-R63 PolarHBondContact CE1-NE 2.9Å; H49-R63 PolarHBondContact CE1-NH2 3.13Å; E61-R63 HydrophobicContact CG-CG 4.12Å; E61-R63 WeakPolarHBondContact OE1-CD 3.02Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 3.91Å; E61-R63 IonicContact OE1-NE 2.89Å; E61-R63 PolarHBondContact OE1-NE 3.36Å; R63-F76 WeakPolarHBondContact O-CA 3.34Å; R63-A77 HydrophobicContact CB-CB 4.33Å; R63-A77 PolarHBondContact N-O 2.96Å; R63-A77 VanDerWaalsContact N-O 3.15Å; R63-A77 PolarHBondContact O-N 2.9Å
64L48.7Very low42.3Very low17 Ų1766.9 Ų66.99%0.08939%0.39CS..EExtended strand (participates in β ladder)trans-103.2116.1169.3-59.5174.5000108.9M17 F38 Q48 L62 T74 F76M17-L64 HydrophobicContact CE-CD2 4.43Å; M17-L64 HydrophobicContact SD-CD1 4Å; M17-L64 HydrophobicContact SD-CD2 3.77Å; F38-L64 HydrophobicContact CD2-CD1 3.94Å; F38-L64 HydrophobicContact CE1-CD1 3.78Å; F38-L64 HydrophobicContact CE2-CD1 3.18Å; F38-L64 HydrophobicContact CZ-CD1 3.05Å; F38-L64 HydrophobicContact CZ-CG 4.43Å; Q48-L64 PolarHBondContact N-O 3.12Å; Q48-L64 PolarHBondContact O-N 2.84Å; L62-L64 HydrophobicContact CD2-CD2 4.37Å; L64-T74 HydrophobicContact CB-CG2 4.22Å; L64-T74 HydrophobicContact CD2-CG2 3.82Å; L64-F76 HydrophobicContact CD2-CD1 3.32Å; L64-F76 HydrophobicContact CD2-CE1 3.09Å; L64-F76 HydrophobicContact CD2-CG 4.32Å; L64-F76 HydrophobicContact CD2-CZ 3.93Å
65S43Very low41.9Very low47 Ų4768.1 Ų68.133%0.32940%0.398SS..EExtended strand (participates in β ladder)trans-124.2125.416847.60000109.2T74 D75S65-T74 WeakPolarHBondContact O-CA 2.96Å; S65-D75 PolarHBondContact N-O 2.84Å; S65-D75 PolarHBondContact O-N 3.33Å; S65-D75 PolarHBondContact OG-O 2.81Å
66G37.8Very low42.1Very low37 Ų3764.8 Ų64.838%0.38138%0.38SS..  trans-175.8156.8175.300000110.5
67P36.7Very low41.9Very low75 Ų7560.2 Ų60.249%0.48735%0.353SS..PPolyproline II helixtrans-62.7149.3176.2-11.327000110.2M71 A72P67-M71 WeakPolarHBondContact CB-O 3.3Å; P67-M71 WeakPolarHBondContact CG-O 3.31Å; P67-A72 HydrophobicContact CG-CB 3.68Å
68T44.3Very low41.6Very low49 Ų4957.4 Ų57.430%0.30133%0.329SS..SBendtrans-50.4138.2170.933.40000109.9I40I40-T68 HydrophobicContact CG2-CG2 3.71Å
69P42.8Very low41.5Very low52 Ų5259.8 Ų59.834%0.33834%0.335SS..THydrogen-bonded Turntrans-56.9151.6-174.624-34.2000112.1L15 I40L15-P69 HydrophobicContact CD1-CB 3.39Å; L15-P69 HydrophobicContact CD1-CG 3.56Å; L15-P69 HydrophobicContact CG-CB 4.46Å; L15-P69 HydrophobicContact CG-CG 4.29Å; I40-P69 HydrophobicContact CB-CG 4.11Å; I40-P69 HydrophobicContact CD1-CG 3.88Å; I40-P69 VanDerWaalsContact CG2-CD 3.45Å; I40-P69 HydrophobicContact CG2-CG 4.21Å
70P43.5Very low41.3Very low105 Ų10557.1 Ų57.168%0.68232%0.324SS*.THydrogen-bonded Turncis-10937.525.440.1-31.4000112.5
71M36.4Very low41.4Very low136 Ų13663.7 Ų63.767%0.6736%0.356SS*.  trans-145.4118.6-169.4-65.9-175.2-67.200112.7P67P67-M71 WeakPolarHBondContact CB-O 3.3Å; P67-M71 WeakPolarHBondContact CG-O 3.31Å
72A34.6Very low41.2Very low70 Ų7063.2 Ų63.258%0.57936%0.361SS*.  trans119146.6142.900000116.2P67 T74P67-A72 HydrophobicContact CG-CB 3.68Å; A72-T74 PolarHBondContact O-N 3.45Å
73L37.4Very low40.7Very low96 Ų9665.7 Ų65.750%0.50339%0.389SS..  trans-35.7114.6175.1-66.7142.7000109.9D75 G92L73-D75 PolarHBondContact O-N 2.79Å; L73-G92 WeakPolarHBondContact CD2-O 3.49Å
74T37.8Very low40.2Very low30 Ų3067 Ų6718%0.18442%0.418CS..  trans-80.2117.1168.4-490000106.5L64 S65 A72 F76L64-T74 HydrophobicContact CB-CG2 4.22Å; L64-T74 HydrophobicContact CD2-CG2 3.82Å; S65-T74 WeakPolarHBondContact O-CA 2.96Å; A72-T74 PolarHBondContact O-N 3.45Å; T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE1 4.44Å; T74-F76 HydrophobicContact CG2-CE2 4Å; T74-F76 HydrophobicContact CG2-CZ 4.05Å; T74-F76 VanDerWaalsContact O-CD2 3.25Å; T74-F76 WeakPolarHBondContact O-CD2 3.46Å; T74-F76 WeakPolarHBondContact O-CE2 3.13Å; T74-F76 PolarHBondContact O-N 3.34Å
75D38.6Very low39.6Very low74 Ų7469.6 Ų69.640%0.39644%0.435SS..EExtended strand (participates in β ladder)trans-77.6115.9167.4-76.7-30.8000107.5S65 L73 L90S65-D75 PolarHBondContact N-O 2.84Å; S65-D75 PolarHBondContact O-N 3.33Å; S65-D75 PolarHBondContact OG-O 2.81Å; L73-D75 PolarHBondContact O-N 2.79Å; D75-L90 VanDerWaalsContact CA-O 3.29Å; D75-L90 WeakPolarHBondContact CA-O 3.5Å
76F42.8Very low39.1Very low5 Ų572 Ų722%0.02245%0.449CS..EExtended strand (participates in β ladder)trans-95.1129.8170.7-55.4-106.4000108.5T4 M17 V19 L62 R63 L64 T74 A89 L90T4-F76 HydrophobicContact CG2-CE1 4.09Å; T4-F76 HydrophobicContact CG2-CE2 4Å; T4-F76 HydrophobicContact CG2-CZ 3.64Å; M17-F76 HydrophobicContact SD-CE1 3.86Å; M17-F76 HydrophobicContact SD-CZ 3.87Å; V19-F76 HydrophobicContact CG2-CE1 3.85Å; L62-F76 HydrophobicContact CD1-CB 4.24Å; L62-F76 HydrophobicContact CD1-CD1 3.86Å; L62-F76 HydrophobicContact CD2-CD1 4.17Å; L62-F76 HydrophobicContact CD2-CE1 4.47Å; L62-F76 HydrophobicContact CG-CD1 4.11Å; R63-F76 WeakPolarHBondContact O-CA 3.34Å; L64-F76 HydrophobicContact CD2-CD1 3.32Å; L64-F76 HydrophobicContact CD2-CE1 3.09Å; L64-F76 HydrophobicContact CD2-CG 4.32Å; L64-F76 HydrophobicContact CD2-CZ 3.93Å; T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE1 4.44Å; T74-F76 HydrophobicContact CG2-CE2 4Å; T74-F76 HydrophobicContact CG2-CZ 4.05Å; T74-F76 VanDerWaalsContact O-CD2 3.25Å; T74-F76 WeakPolarHBondContact O-CD2 3.46Å; T74-F76 WeakPolarHBondContact O-CE2 3.13Å; T74-F76 PolarHBondContact O-N 3.34Å; F76-A89 CarbonylContact O-C 3.17Å; F76-A89 WeakPolarHBondContact O-CA 3.18Å; F76-L90 HydrophobicContact CB-CB 3.82Å; F76-L90 HydrophobicContact CB-CD1 3.68Å; F76-L90 HydrophobicContact CB-CG 3.92Å; F76-L90 HydrophobicContact CD2-CB 3.74Å; F76-L90 HydrophobicContact CD2-CD1 4.25Å; F76-L90 HydrophobicContact CG-CB 4.14Å; F76-L90 HydrophobicContact CG-CD1 4.02Å; F76-L90 PolarHBondContact N-O 3Å; F76-L90 VanDerWaalsContact N-O 3.16Å; F76-L90 PolarHBondContact O-N 3.49Å
77A38.7Very low38.9Very low28 Ų2874.1 Ų74.123%0.23146%0.458CS..EExtended strand (participates in β ladder)trans-110.1127.4167.600000109.5R63 V88R63-A77 HydrophobicContact CB-CB 4.33Å; R63-A77 PolarHBondContact N-O 2.96Å; R63-A77 VanDerWaalsContact N-O 3.15Å; R63-A77 PolarHBondContact O-N 2.9Å; A77-V88 WeakPolarHBondContact CA-O 3.46Å
78M39.5Very low38.7Very low37 Ų3773.6 Ų73.618%0.18245%0.453CS..EExtended strand (participates in β ladder)trans-100.4122170.4-168.4172.5-170.700109V21 L23 Y60 E61 V88V21-M78 HydrophobicContact CG1-CE 4.36Å; L23-M78 HydrophobicContact CD2-CE 4.1Å; Y60-M78 HydrophobicContact CD1-CE 3.12Å; Y60-M78 HydrophobicContact CD1-CG 3.84Å; Y60-M78 HydrophobicContact CD1-SD 4.18Å; Y60-M78 HydrophobicContact CD2-CE 4.03Å; Y60-M78 HydrophobicContact CE1-CE 3.49Å; Y60-M78 VanDerWaalsContact CE1-CE 3.49Å; Y60-M78 HydrophobicContact CE2-CE 4.35Å; Y60-M78 HydrophobicContact CG-CE 3.4Å; E61-M78 WeakPolarHBondContact O-CA 3.47Å; M78-V88 PolarHBondContact N-O 3.34Å
79R41.8Very low38.1Very low133 Ų13374.8 Ų74.850%0.50247%0.469SS..EExtended strand (participates in β ladder)trans-119.5126.9171.7-73.3-177.2168177.6-4.5110Y60 E61Y60-R79 WeakPolarHBondContact CA-O 3.38Å; E61-R79 PolarHBondContact N-O 2.73Å; E61-R79 PolarHBondContact O-N 2.87Å
80S39.9Very low37.7Very low21 Ų2174.4 Ų74.415%0.14746%0.463CS..EExtended strand (participates in β ladder)trans-91.8133.4166.3171.70000108.8A82 V85S80-A82 PolarHBondContact O-N 3.27Å; S80-A82 PolarHBondContact OG-N 3.5Å; S80-A82 VanDerWaalsContact OG-N 3.09Å; S80-A82 PolarHBondContact OG-O 2.99Å; S80-V85 VanDerWaalsContact CB-CG2 3.44Å
81Q46.3Very low37.1Very low174 Ų17474 Ų7481%0.81346%0.459SS*.SBendtrans-75.4-9.6170.8-75.6-165.8-19.700113.5
82A40.4Very low36.8Very low44 Ų4468.7 Ų68.736%0.36444%0.44SS..SBendtrans-103.110117500000109.7Q58 S80Q58-A82 HydrophobicContact CG-CB 4.33Å; S80-A82 PolarHBondContact O-N 3.27Å; S80-A82 PolarHBondContact OG-N 3.5Å; S80-A82 VanDerWaalsContact OG-N 3.09Å; S80-A82 PolarHBondContact OG-O 2.99Å
83G38.2Very low36.5Very low63 Ų6374 Ų7465%0.64945%0.452SS*.SBendtrans60.2105.6163.500000117.1V85G83-V85 VanDerWaalsContact C-N 3.31Å; G83-V85 VanDerWaalsContact O-CG2 3.28Å; G83-V85 WeakPolarHBondContact O-CG2 3.49Å; G83-V85 PolarHBondContact O-N 2.77Å
84A34.5Very low36.4Very low113 Ų11376 Ų7693%0.93446%0.457SS*.  trans31.650.6155.400000117.6
85V36.9Very low36.1Very low72 Ų7282.4 Ų82.444%0.43649%0.49SS..  trans-86.6130171.7-1690000107.7S80 G83 S87S80-V85 VanDerWaalsContact CB-CG2 3.44Å; G83-V85 VanDerWaalsContact C-N 3.31Å; G83-V85 VanDerWaalsContact O-CG2 3.28Å; G83-V85 WeakPolarHBondContact O-CG2 3.49Å; G83-V85 PolarHBondContact O-N 2.77Å; V85-S87 PolarHBondContact O-N 3.42Å
86P31.4Very low35.9Very low97 Ų9784.4 Ų84.463%0.6350%0.497SS*.  trans-56.1135.8-176.320.2-31.9000110.9V88P86-V88 PolarHBondContact O-N 3.23Å
87S33.8Very low35.3Very low82 Ų8293.4 Ų93.457%0.57354%0.539SS*.  trans-62105.8169.6-67.70000107.8V85 A89V85-S87 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact O-N 3.17Å
88V32.7Very low34.9Very low64 Ų6498.7 Ų98.739%0.38856%0.563SS.*EExtended strand (participates in β ladder)trans-86.6110.5173.3-1760000106.6A77 M78 P86 L90A77-V88 WeakPolarHBondContact CA-O 3.46Å; M78-V88 PolarHBondContact N-O 3.34Å; P86-V88 PolarHBondContact O-N 3.23Å; V88-L90 HydrophobicContact CG1-CD2 3.55Å; V88-L90 HydrophobicContact CG1-CG 4.18Å
89A31.6Very low34.7Very low75 Ų75102.2 Ų102.262%0.6259%0.589SS**EExtended strand (participates in β ladder)trans-82.4120.2164.200000108F76 S87F76-A89 CarbonylContact O-C 3.17Å; F76-A89 WeakPolarHBondContact O-CA 3.18Å; S87-A89 PolarHBondContact O-N 3.17Å
90L33.8Very low34.2Very low43 Ų43101.9 Ų101.923%0.22560%0.601CS.*EExtended strand (participates in β ladder)trans-101.9123175.2-54.7173.2000109.4I2 D75 F76 V88I2-L90 HydrophobicContact CB-CD1 4.22Å; I2-L90 HydrophobicContact CD1-CD1 3.63Å; I2-L90 HydrophobicContact CD1-CD2 4.35Å; I2-L90 HydrophobicContact CG2-CD1 3.93Å; D75-L90 VanDerWaalsContact CA-O 3.29Å; D75-L90 WeakPolarHBondContact CA-O 3.5Å; F76-L90 HydrophobicContact CB-CB 3.82Å; F76-L90 HydrophobicContact CB-CD1 3.68Å; F76-L90 HydrophobicContact CB-CG 3.92Å; F76-L90 HydrophobicContact CD2-CB 3.74Å; F76-L90 HydrophobicContact CD2-CD1 4.25Å; F76-L90 HydrophobicContact CG-CB 4.14Å; F76-L90 HydrophobicContact CG-CD1 4.02Å; F76-L90 PolarHBondContact N-O 3Å; F76-L90 VanDerWaalsContact N-O 3.16Å; F76-L90 PolarHBondContact O-N 3.49Å; V88-L90 HydrophobicContact CG1-CD2 3.55Å; V88-L90 HydrophobicContact CG1-CG 4.18Å
91T31Very low33.9Very low97 Ų97106.9 Ų106.960%0.59563%0.633SS**EExtended strand (participates in β ladder)trans-94.5114169.353.60000109.7
92G31.8Very low33.2Very low25 Ų25107.5 Ų107.526%0.25864%0.636SS.*  trans-83.2116.1174.800000113.1L73L73-G92 WeakPolarHBondContact CD2-O 3.49Å
93Q26.8Very low32.8Very low180 Ų180111 Ų11184%0.84166%0.655SS**  trans-83.3121.4169.4-74.6-160.1-25.200110.9N95Q93-N95 PolarHBondContact O-N 2.92Å
94K37.2Very low32.7Very low138 Ų138114.2 Ų114.260%0.667%0.665SS**  trans-70.5115.1173178.8-175.7178.51800110E96K94-E96 HydrophobicContact CG-CB 4.21Å
95N30.8Very low32.7Very low165 Ų165118.2 Ų118.288%0.88266%0.661SS**  trans-108.191.1158.7-98.3-29.6000107.8Q93Q93-N95 PolarHBondContact O-N 2.92Å
96E34.9Very low32.3Very low116 Ų116123.8 Ų123.854%0.54268%0.682SS.*  trans-133112.5169.7-105.7-174.7110.400109.6K94 L98K94-E96 HydrophobicContact CG-CB 4.21Å; E96-L98 PolarHBondContact O-N 3.07Å
97Q28.3Very low32.1Very low195 Ų195123.7 Ų123.791%0.91168%0.679SS**  trans-70.5108.3159-174.6173.9-23.800106.9
98L31.2Very low31.8Very low139 Ų139129 Ų12973%0.72869%0.692SS**PPolyproline II helixtrans-52.8129179.5-100.382.9000111.1E96E96-L98 PolarHBondContact O-N 3.07Å
99P36.2Very low31.4Very low111 Ų111130.6 Ų130.672%0.72171%0.713SS**PPolyproline II helixtrans-75129.7159.48.35000109.5
100T31Very low31.1Very low126 Ų126131.2 Ų131.277%0.77372%0.718SS**PPolyproline II helixtrans-54.1146.4177.440.10000113.1Q102T100-Q102 PolarHBondContact O-N 3.43Å
101P34.2Very low30.7Very low126 Ų126136.6 Ų136.682%0.81875%0.745SS**PPolyproline II helixtrans-69.4126.5-170.228-33.6000112.3
102Q30.6Very low30.7Very low187 Ų187139.9 Ų139.987%0.87475%0.754SS**  trans-112142.2160.7-85.6-169.4-2800110.5T100T100-Q102 PolarHBondContact O-N 3.43Å
103P32.8Very low30.5Very low116 Ų116143.9 Ų143.975%0.75378%0.777SS**  trans-74.8159.1-169.330.2-34.6000113.8
104P35.8Very low30.7Very low132 Ų132144.8 Ų144.886%0.85778%0.779SS**  trans-78130.3-159.531-33.5000113
105K34.1Very low30.2Very low197 Ų197146 Ų14686%0.85779%0.787SS**  trans-107133.4160.4-82.4-178176.5176.80109.5
106Q27.4Very low30.2Very low189 Ų189141.4 Ų141.488%0.88377%0.772SS**  trans-32.3130.9179.8-68.3163.9-29.500114.4
107V28.5Very low29.8Very low94 Ų94141.4 Ų141.457%0.5778%0.775SS**  trans-120.4116.8167.9-179.70000111.2
108F26.9Very low30Very low193 Ų193140.4 Ų140.485%0.84677%0.768SS**  trans-62.6147.5167.8-103.2-108.4000111.4A110F108-A110 PolarHBondContact O-N 3.29Å
109A23.8Very low29.9Very low98 Ų98142 Ų14281%0.8177%0.769SS**  trans-52.8130175.900000113
110A26Very low29.3Very low89 Ų89146.5 Ų146.574%0.73678%0.778SS**  trans-126.194.8169.900000109.7F108F108-A110 PolarHBondContact O-N 3.29Å
111I25.9Very low29Very low155 Ų155147.2 Ų147.280%0.79578%0.776SS**  trans-87.695.5163.1-58.9168.9000105.9
112H30.3Very low28.8Very low167 Ų167151.2 Ų151.277%0.77380%0.798SS**  trans-148.6107.7173.6-83.2-69.9000114.7
113S28.1Very low28.7Very low108 Ų108149.5 Ų149.576%0.75579%0.794SS**  68.8107.3129.9-43.50000120.3
114F29.9Very low28.5Very low200 Ų200151.2 Ų151.288%0.87780%0.796SS**  trans-70129.6159.8-92-103.6000110.7
115Q27.4Very low28.1Very low163 Ų163152.3 Ų152.376%0.76279%0.793SS**  trans-124.7108.9159.3-108.8-143.551.900108.5
116A30.1Very low27.7Very low69 Ų69149.6 Ų149.657%0.5779%0.789SS**  trans-84.4106.1161.600000107.4F118A116-F118 HydrophobicContact CB-CD2 3.92Å; A116-F118 HydrophobicContact CB-CE2 3.48Å; A116-F118 VanDerWaalsContact CB-CE2 3.48Å; A116-F118 HydrophobicContact CB-CZ 4.26Å; A116-F118 PolarHBondContact O-N 3.47Å
117L27Very low27.7Very low115 Ų115147.2 Ų147.260%0.60278%0.783SS**  trans-74.3102167-102.394000108.4F119L117-F119 HydrophobicContact CB-CE2 4.22Å; L117-F119 HydrophobicContact CD2-CE1 4.24Å; L117-F119 HydrophobicContact CD2-CE2 3.67Å; L117-F119 HydrophobicContact CD2-CZ 3.43Å; L117-F119 VanDerWaalsContact CD2-CZ 3.43Å
118F31.8Very low27.7Very low174 Ų174150.7 Ų150.776%0.76380%0.797SS**  trans-90.5114.5164.6-70.8-81.9000108.8A116A116-F118 HydrophobicContact CB-CD2 3.92Å; A116-F118 HydrophobicContact CB-CE2 3.48Å; A116-F118 VanDerWaalsContact CB-CE2 3.48Å; A116-F118 HydrophobicContact CB-CZ 4.26Å; A116-F118 PolarHBondContact O-N 3.47Å
119F29.6Very low27.7Very low174 Ų174147.7 Ų147.776%0.76379%0.794SS**  trans-85.8112.1166.4-68.2-83.3000108.6L117L117-F119 HydrophobicContact CB-CE2 4.22Å; L117-F119 HydrophobicContact CD2-CE1 4.24Å; L117-F119 HydrophobicContact CD2-CE2 3.67Å; L117-F119 HydrophobicContact CD2-CZ 3.43Å; L117-F119 VanDerWaalsContact CD2-CZ 3.43Å
120K23.6Very low28Very low205 Ų205151.5 Ų151.589%0.89179%0.792SS**  trans-86.1122.1167.2-166.1179.4-174-179.90106.8
121L24.7Very low28.2Very low140 Ų140156.8 Ų156.873%0.73380%0.797SS**  trans-131.5134165.6-122.396.4000111.4
122V30Very low28.4Very low211 Ų211156.9 Ų156.9100%1.27980%0.797SS**  trans-53.50177.1-179.90000112

Retrieved 122 of 122 residues in 37.9 ms (Link to these results)