A0A068LKQ8_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKQ8, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 115 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
1E83.3Confident94.9Very high198 Ų19870.8 Ų70.893%0.92540%0.403SS*.  0143.90-172.8170.4-171.100108.1G26E1-G26 WeakPolarHBondContact O-CA 3.49Å
2V89.9Confident95Very high39 Ų3965.8 Ų65.824%0.23638%0.377CS..  trans-82.7129.2178.7172.90000109G26 F27 F104V2-G26 WeakPolarHBondContact CG2-O 3.4Å; V2-F27 HydrophobicContact CG1-CD1 3.63Å; V2-F27 HydrophobicContact CG1-CE1 3.98Å; V2-F27 HydrophobicContact CG2-CB 4.45Å; V2-F27 HydrophobicContact CG2-CD1 4.49Å; V2-F104 HydrophobicContact CB-CD1 3.98Å; V2-F104 HydrophobicContact CB-CD2 4.18Å; V2-F104 HydrophobicContact CB-CE1 3.93Å; V2-F104 HydrophobicContact CB-CE2 4.1Å; V2-F104 HydrophobicContact CB-CG 4.12Å; V2-F104 HydrophobicContact CB-CZ 4Å; V2-F104 HydrophobicContact CG1-CB 3.87Å; V2-F104 HydrophobicContact CG1-CD1 3.8Å; V2-F104 HydrophobicContact CG1-CD2 3.52Å; V2-F104 HydrophobicContact CG1-CE1 4.2Å; V2-F104 HydrophobicContact CG1-CE2 3.92Å; V2-F104 HydrophobicContact CG1-CG 3.45Å; V2-F104 VanDerWaalsContact CG1-CG 3.45Å; V2-F104 HydrophobicContact CG1-CZ 4.26Å; V2-F104 HydrophobicContact CG2-CD2 4.29Å; V2-F104 HydrophobicContact CG2-CE1 4.22Å; V2-F104 HydrophobicContact CG2-CE2 3.81Å; V2-F104 HydrophobicContact CG2-CZ 3.79Å
3Q94.7Very high95.1Very high95 Ų9568.6 Ų68.644%0.44438%0.384SS..EExtended strand (participates in β ladder)trans-135.6143.5179.4-62.9-174.7-21.900111.6A24 S25Q3-A24 WeakPolarHBondContact O-CA 3.32Å; Q3-S25 PolarHBondContact N-O 3.27Å; Q3-S25 PolarHBondContact O-N 3.15Å
4L96.9Very high95.2Very high10 Ų1068.1 Ų68.15%0.05239%0.386CS..EExtended strand (participates in β ladder)trans-128.8122.6171.1-68.3-179000106.5A23 A24 F27 M34 C96 F104 G106L4-A23 WeakPolarHBondContact CA-O 2.99Å; L4-A24 HydrophobicContact CD2-CB 3.63Å; L4-F27 HydrophobicContact CD2-CE1 3.86Å; L4-F27 HydrophobicContact CD2-CZ 3.94Å; L4-M34 HydrophobicContact CD1-CE 4.22Å; L4-M34 HydrophobicContact CD2-CE 3.88Å; L4-C96 WeakPolarHBondContact CD1-O 3.47Å; L4-F104 HydrophobicContact CD1-CB 4.41Å; L4-F104 VanDerWaalsContact CD1-O 3.29Å; L4-F104 WeakPolarHBondContact CD1-O 3.49Å; L4-G106 VanDerWaalsContact O-CA 3.25Å; L4-G106 WeakPolarHBondContact O-CA 3.42Å
5V98Very high95.3Very high82 Ų8267.2 Ų67.250%0.49740%0.397SS..EExtended strand (participates in β ladder)trans-124.8106.8-173-176.80000109.6C22 A23V5-C22 VanDerWaalsContact O-CA 3.32Å; V5-C22 WeakPolarHBondContact O-CA 3.35Å; V5-A23 PolarHBondContact N-O 2.84Å; V5-A23 PolarHBondContact O-N 3.43Å
6E98.6Very high95.4Very high20 Ų2064.6 Ų64.69%0.09339%0.389CS..EExtended strand (participates in β ladder)trans-80.7146.4177-59.590.7156.400113S21 C22 W36 Y95 C96 G106 Q107 G108 T109E6-S21 CarbonylContact C-O 3.58Å; E6-S21 VanDerWaalsContact CA-O 3.23Å; E6-S21 WeakPolarHBondContact CA-O 3.47Å; E6-C22 HydrophobicContact CG-CB 4.29Å; E6-W36 HydrophobicContact CB-CH2 4.41Å; E6-W36 HydrophobicContact CG-CH2 3.91Å; E6-W36 HydrophobicContact CG-CZ3 3.93Å; E6-Y95 VanDerWaalsContact OE1-CA 3.3Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.44Å; E6-C96 VanDerWaalsContact CD-SG 3.54Å; E6-C96 HydrophobicContact CG-CB 4.34Å; E6-C96 PolarHBondContact OE1-N 2.88Å; E6-C96 PolarHBondContact OE1-SG 3.49Å; E6-G106 WeakPolarHBondContact OE1-CA 3.25Å; E6-G106 WeakPolarHBondContact OE2-CA 3.28Å; E6-Q107 PolarHBondContact OE2-N 3.25Å; E6-Q107 VanDerWaalsContact OE2-N 3.17Å; E6-G108 VanDerWaalsContact CD-N 3.32Å; E6-G108 PolarHBondContact OE1-N 3.34Å; E6-G108 PolarHBondContact OE2-N 2.81Å; E6-T109 HydrophobicContact CB-CG2 3.87Å
7S98.1Very high95.5Very high59 Ų5964.8 Ų64.841%0.41339%0.394SS..EExtended strand (participates in β ladder)trans-151.4170.7171.9750000112L20 S21S7-L20 WeakPolarHBondContact O-CA 3.35Å; S7-S21 PolarHBondContact N-O 3.15Å; S7-S21 PolarHBondContact O-N 3.09Å; S7-S21 PolarHBondContact OG-OG 3.33Å
8G96.8Very high95.6Very high38 Ų3862.8 Ų62.839%0.39238%0.38SS..  trans88.21.4178.400000115L20G8-L20 VanDerWaalsContact C-CD2 3.44Å; G8-L20 WeakPolarHBondContact O-CD2 3.27Å
9G96.1Very high95.7Very high23 Ų2366.6 Ų66.624%0.23739%0.387CS..  trans-73.2132.9167.400000110.5T109 T110G9-T109 VanDerWaalsContact CA-OG1 3.31Å; G9-T109 WeakPolarHBondContact CA-OG1 3.48Å; G9-T109 PolarHBondContact N-OG1 3.5Å; G9-T110 CarbonylContact C-O 3.52Å; G9-T110 WeakPolarHBondContact CA-O 3.18Å
10D96Very high95.8Very high108 Ų10863.3 Ų63.358%0.57837%0.368SS*.  trans-156.2179.3-177.3-155.4-8.2000110.3L18 T110 T112D10-L18 HydrophobicContact CB-CD2 4.39Å; D10-T110 PolarHBondContact N-O 2.99Å; D10-T112 PolarHBondContact O-N 3.09Å; D10-T112 VanDerWaalsContact O-N 3.08Å
11L95.8Very high96Very high107 Ų10761.7 Ų61.756%0.5636%0.36SS*.EExtended strand (participates in β ladder)trans-74125.4166.5-179.464.2000110.3T112 A114L11-T112 CarbonylContact C-O 3.57Å; L11-T112 WeakPolarHBondContact CA-O 3.39Å; L11-T112 HydrophobicContact CD1-CG2 3.78Å; L11-A114 HydrophobicContact CD1-CB 4.03Å
12A95.3Very high96.7Very high11 Ų1152.3 Ų52.39%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-129.7155.4174.900000111.4L18 L86 T112 V113 A114A12-L18 HydrophobicContact CB-CD1 3.86Å; A12-L18 HydrophobicContact CB-CD2 4.45Å; A12-L18 HydrophobicContact CB-CG 4.01Å; A12-L86 HydrophobicContact CB-CD1 3.56Å; A12-T112 PolarHBondContact N-O 3.32Å; A12-V113 VanDerWaalsContact O-CA 3.27Å; A12-V113 WeakPolarHBondContact O-CA 3.29Å; A12-A114 PolarHBondContact O-N 3.33Å; A12-A114 VanDerWaalsContact O-N 3.09Å
13Q96.4Very high97.1Very high102 Ų10252.7 Ų52.748%0.47732%0.324SS..  trans-85.1150173.8-72.4-72.3-22.500110.4G15 G16 A114 S115Q13-G15 PolarHBondContact O-N 3.2Å; Q13-G16 PolarHBondContact O-N 2.97Å; Q13-A114 PolarHBondContact NE2-O 3.33Å; Q13-A114 PolarHBondContact OE1-O 2.98Å; Q13-S115 PolarHBondContact NE2-OXT 3.24Å; Q13-S115 PolarHBondContact OE1-OXT 2.87Å
14P97.3Very high97.2Very high62 Ų6248.6 Ų48.640%0.40331%0.306SS..THydrogen-bonded Turntrans-53.2135.7171.3-24.633.6000111.8G16 L86 V88 V113P14-G16 PolarHBondContact O-N 3.08Å; P14-L86 WeakPolarHBondContact CA-O 3.46Å; P14-V88 HydrophobicContact CG-CG2 4.25Å; P14-V113 HydrophobicContact CB-CG1 4.45Å; P14-V113 HydrophobicContact CG-CG1 4.07Å
15G96.4Very high97.1Very high54 Ų5450.7 Ų50.756%0.55732%0.321SS*.THydrogen-bonded Turntrans82.8-10.2-17400000114.7Q13 L86Q13-G15 PolarHBondContact O-N 3.2Å; G15-L86 PolarHBondContact N-O 2.62Å
16G96.3Very high97Very high26 Ų2649.4 Ų49.427%0.26833%0.325SS..  trans-70.6-177.5175.200000113.8Q13 P14 S85 L86Q13-G16 PolarHBondContact O-N 2.97Å; P14-G16 PolarHBondContact O-N 3.08Å; G16-S85 PolarHBondContact O-N 2.82Å; G16-S85 VanDerWaalsContact O-N 3.16Å; G16-L86 WeakPolarHBondContact O-CB 3.44Å; G16-L86 WeakPolarHBondContact O-CG 3.44Å; G16-L86 PolarHBondContact O-N 3.11Å
17S96.8Very high96.7Very high68 Ų6850 Ų5048%0.47633%0.327SS..  trans-131.3148177.7-65.40000111.2M83 N84S17-M83 CarbonylContact C-O 3.42Å; S17-M83 WeakPolarHBondContact CA-O 3.4Å; S17-M83 VanDerWaalsContact CB-O 3.29Å; S17-M83 WeakPolarHBondContact CB-O 3.48Å; S17-N84 PolarHBondContact OG-OD1 2.93Å
18L97.3Very high96.5Very high28 Ų2851.5 Ų51.515%0.14733%0.331CS..EExtended strand (participates in β ladder)trans-135.2156.4171.2-74.4174.5000109.5D10 A12 Q82 M83 L86 V111D10-L18 HydrophobicContact CB-CD2 4.39Å; A12-L18 HydrophobicContact CB-CD1 3.86Å; A12-L18 HydrophobicContact CB-CD2 4.45Å; A12-L18 HydrophobicContact CB-CG 4.01Å; L18-Q82 PolarHBondContact O-NE2 2.83Å; L18-M83 PolarHBondContact N-O 2.93Å; L18-M83 PolarHBondContact O-N 2.96Å; L18-L86 HydrophobicContact CB-CD1 4.15Å; L18-L86 HydrophobicContact CD1-CD1 3.88Å; L18-L86 HydrophobicContact CG-CD1 3.76Å; L18-V111 HydrophobicContact CD1-CG1 3.76Å; L18-V111 HydrophobicContact CD1-CG2 4.27Å
19R98.2Very high96.4Very high136 Ų13649.7 Ų49.751%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-125.4114.4170.1-173.8176.6174.1-175-3.4108.8Y80 L81R19-Y80 VanDerWaalsContact NH2-CG 3.34Å; R19-L81 WeakPolarHBondContact CA-O 3.44Å
20L98.6Very high96.3Very high0 Ų050.8 Ų50.80%032%0.316CS..EExtended strand (participates in β ladder)trans-87.4147.8171.4-46.3-175.5000109.5S7 G8 W36 Y80 L81 M83 Y94 T109 V111S7-L20 WeakPolarHBondContact O-CA 3.35Å; G8-L20 VanDerWaalsContact C-CD2 3.44Å; G8-L20 WeakPolarHBondContact O-CD2 3.27Å; L20-W36 HydrophobicContact CB-CH2 3.72Å; L20-W36 HydrophobicContact CB-CZ2 3.96Å; L20-W36 HydrophobicContact CB-CZ3 4.36Å; L20-W36 HydrophobicContact CD1-CH2 4.28Å; L20-W36 HydrophobicContact CD1-CZ3 4.07Å; L20-Y80 WeakPolarHBondContact O-CA 3.34Å; L20-L81 HydrophobicContact CB-CB 4.17Å; L20-L81 HydrophobicContact CD1-CD2 4.14Å; L20-L81 PolarHBondContact N-O 3.42Å; L20-L81 PolarHBondContact O-N 3Å; L20-M83 HydrophobicContact CD1-SD 3.97Å; L20-M83 HydrophobicContact CG-SD 4.07Å; L20-Y94 HydrophobicContact CD1-CD1 3.91Å; L20-Y94 HydrophobicContact CD1-CD2 4.26Å; L20-Y94 HydrophobicContact CD1-CG 3.66Å; L20-T109 HydrophobicContact CD1-CG2 4.06Å; L20-T109 HydrophobicContact CD2-CG2 4.1Å; L20-V111 HydrophobicContact CD1-CG2 4.13Å; L20-V111 HydrophobicContact CD2-CG2 3.84Å
21S98.6Very high96.2Very high30 Ų3048.7 Ų48.721%0.2131%0.31CS..EExtended strand (participates in β ladder)trans-126.2156.2168.766.80000110.2E6 S7 L79E6-S21 CarbonylContact C-O 3.58Å; E6-S21 VanDerWaalsContact CA-O 3.23Å; E6-S21 WeakPolarHBondContact CA-O 3.47Å; S7-S21 PolarHBondContact N-O 3.15Å; S7-S21 PolarHBondContact O-N 3.09Å; S7-S21 PolarHBondContact OG-OG 3.33Å; S21-L79 CarbonylContact C-O 3.39Å; S21-L79 VanDerWaalsContact CA-O 3.3Å; S21-L79 WeakPolarHBondContact CA-O 3.33Å
22C98.4Very high96.1Very high0 Ų047.7 Ų47.70%030%0.299CS..EExtended strand (participates in β ladder)trans-138.8112.4172.4163.60000108.6V5 E6 W36 S78 L79 C96V5-C22 VanDerWaalsContact O-CA 3.32Å; V5-C22 WeakPolarHBondContact O-CA 3.35Å; E6-C22 HydrophobicContact CG-CB 4.29Å; C22-W36 HydrophobicContact CB-CH2 4.05Å; C22-W36 HydrophobicContact CB-CZ2 3.91Å; C22-S78 WeakPolarHBondContact O-CA 3.47Å; C22-L79 HydrophobicContact CB-CB 4.22Å; C22-L79 PolarHBondContact N-O 3.43Å; C22-L79 PolarHBondContact O-N 3.32Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.29Å; C22-C96 WeakPolarHBondContact SG-CB 3.5Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.42Å
23A98.2Very high96.2Very high47 Ų4748 Ų4839%0.38830%0.301SS..EExtended strand (participates in β ladder)trans-88.2129.9176.200000109.9L4 V5L4-A23 WeakPolarHBondContact CA-O 2.99Å; V5-A23 PolarHBondContact N-O 2.84Å; V5-A23 PolarHBondContact O-N 3.43Å
24A96.8Very high96.2Very high10 Ų1043.1 Ų43.18%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-106.7138.6-179.600000112Q3 L4 F27 F29 N77Q3-A24 WeakPolarHBondContact O-CA 3.32Å; L4-A24 HydrophobicContact CD2-CB 3.63Å; A24-F27 HydrophobicContact CB-CE1 3.75Å; A24-F27 HydrophobicContact CB-CZ 3.71Å; A24-F29 HydrophobicContact CB-CB 4.37Å; A24-F29 HydrophobicContact CB-CD2 3.47Å; A24-F29 VanDerWaalsContact CB-CD2 3.47Å; A24-F29 HydrophobicContact CB-CE2 4.1Å; A24-F29 HydrophobicContact CB-CG 4.26Å; A24-N77 HydrophobicContact CB-CB 4.48Å; A24-N77 WeakPolarHBondContact CB-O 3.29Å; A24-N77 PolarHBondContact N-O 3.01Å; A24-N77 WeakPolarHBondContact O-CB 3.31Å
25S96Very high96.2Very high53 Ų5340.5 Ų40.537%0.37126%0.261SS..EExtended strand (participates in β ladder)trans-145.8161.2173.170.30000112.2Q3 F27Q3-S25 PolarHBondContact N-O 3.27Å; Q3-S25 PolarHBondContact O-N 3.15Å; S25-F27 VanDerWaalsContact C-N 3.34Å; S25-F27 WeakPolarHBondContact O-CD1 3.2Å; S25-F27 PolarHBondContact O-N 3.13Å
26G94.2Very high96.2Very high55 Ų5538 Ų3857%0.56723%0.234SC*.SBendtrans81.45.8179.300000115.5E1 V2E1-G26 WeakPolarHBondContact O-CA 3.49Å; V2-G26 WeakPolarHBondContact CG2-O 3.4Å
27F92.5Very high96.3Very high33 Ų3336.8 Ų36.815%0.14522%0.222CC..SBendtrans-151.6165.8170.368.3-78.8000111V2 L4 A24 S25 F29 Y32 M34 R98V2-F27 HydrophobicContact CG1-CD1 3.63Å; V2-F27 HydrophobicContact CG1-CE1 3.98Å; V2-F27 HydrophobicContact CG2-CB 4.45Å; V2-F27 HydrophobicContact CG2-CD1 4.49Å; L4-F27 HydrophobicContact CD2-CE1 3.86Å; L4-F27 HydrophobicContact CD2-CZ 3.94Å; A24-F27 HydrophobicContact CB-CE1 3.75Å; A24-F27 HydrophobicContact CB-CZ 3.71Å; S25-F27 VanDerWaalsContact C-N 3.34Å; S25-F27 WeakPolarHBondContact O-CD1 3.2Å; S25-F27 PolarHBondContact O-N 3.13Å; F27-F29 HydrophobicContact CE2-CB 4.3Å; F27-F29 HydrophobicContact CE2-CD2 4.32Å; F27-F29 HydrophobicContact CZ-CD2 4.2Å; F27-F29 PolarHBondContact O-N 2.87Å; F27-F29 VanDerWaalsContact O-N 3.1Å; F27-Y32 AromaticContact CD2-CD2 3.58Å; F27-Y32 HydrophobicContact CD2-CD2 3.58Å; F27-Y32 AromaticContact CD2-CE2 3.95Å; F27-Y32 HydrophobicContact CD2-CE2 3.95Å; F27-Y32 HydrophobicContact CD2-CG 4.43Å; F27-Y32 AromaticContact CE2-CD2 4Å; F27-Y32 HydrophobicContact CE2-CD2 4Å; F27-M34 HydrophobicContact CE2-SD 4.4Å; F27-M34 HydrophobicContact CZ-SD 4.27Å; F27-R98 HydrophobicContact CE2-CG 3.97Å; F27-R98 HydrophobicContact CZ-CB 4.48Å; F27-R98 HydrophobicContact CZ-CG 4.27Å
28N93.8Very high96.4Very high90 Ų9034.1 Ų34.148%0.48120%0.201SC..  trans-77.293.2174.2-172.95.7000110.6S30 S31 Y32N28-S30 PolarHBondContact O-N 2.83Å; N28-S30 PolarHBondContact OD1-N 2.88Å; N28-S30 PolarHBondContact OD1-OG 2.78Å; N28-S30 VanDerWaalsContact OD1-OG 3.05Å; N28-S31 PolarHBondContact ND2-OG 3.17Å; N28-S31 PolarHBondContact O-N 2.89Å; N28-S31 VanDerWaalsContact O-N 3.07Å; N28-Y32 VanDerWaalsContact O-CD2 3.25Å; N28-Y32 WeakPolarHBondContact O-CD2 3.2Å
29F94.9Very high96.4Very high0 Ų036.4 Ų36.40%021%0.211CC..G310 helixtrans-53.3-37.9-177.7178.5-99.1000113.1A24 F27 S31 Y32 M34 R72 N77 L79A24-F29 HydrophobicContact CB-CB 4.37Å; A24-F29 HydrophobicContact CB-CD2 3.47Å; A24-F29 VanDerWaalsContact CB-CD2 3.47Å; A24-F29 HydrophobicContact CB-CE2 4.1Å; A24-F29 HydrophobicContact CB-CG 4.26Å; F27-F29 HydrophobicContact CE2-CB 4.3Å; F27-F29 HydrophobicContact CE2-CD2 4.32Å; F27-F29 HydrophobicContact CZ-CD2 4.2Å; F27-F29 PolarHBondContact O-N 2.87Å; F27-F29 VanDerWaalsContact O-N 3.1Å; F29-S31 PolarHBondContact O-N 2.77Å; F29-S31 VanDerWaalsContact O-N 3.1Å; F29-Y32 PolarHBondContact O-N 2.99Å; F29-M34 HydrophobicContact CD2-CE 4.49Å; F29-M34 HydrophobicContact CD2-CG 4.15Å; F29-M34 HydrophobicContact CD2-SD 4.1Å; F29-M34 HydrophobicContact CE2-CE 4.04Å; F29-M34 HydrophobicContact CE2-CG 3.51Å; F29-M34 HydrophobicContact CE2-SD 3.9Å; F29-M34 HydrophobicContact CZ-CG 3.95Å; F29-R72 HydrophobicContact CE1-CB 4.13Å; F29-R72 HydrophobicContact CZ-CB 4.12Å; F29-R72 PolarHBondContact O-NH2 2.92Å; F29-N77 HydrophobicContact CB-CB 3.94Å; F29-N77 WeakPolarHBondContact CB-OD1 3.21Å; F29-N77 HydrophobicContact CG-CB 4.22Å; F29-L79 HydrophobicContact CE2-CB 4.42Å; F29-L79 HydrophobicContact CZ-CB 4.22Å
30S95.1Very high96.4Very high46 Ų4631.1 Ų31.132%0.32220%0.196SC..G310 helixtrans-70.2-4.7-177.980.60000114.5N28 D53N28-S30 PolarHBondContact O-N 2.83Å; N28-S30 PolarHBondContact OD1-N 2.88Å; N28-S30 PolarHBondContact OD1-OG 2.78Å; N28-S30 VanDerWaalsContact OD1-OG 3.05Å; S30-D53 WeakPolarHBondContact O-CB 3.36Å
31S93.9Very high96.3Very high64 Ų6436.2 Ų36.245%0.44823%0.229SC..G310 helixtrans-104.61.4178.8-62.50000113.5N28 F29N28-S31 PolarHBondContact ND2-OG 3.17Å; N28-S31 PolarHBondContact O-N 2.89Å; N28-S31 VanDerWaalsContact O-N 3.07Å; F29-S31 PolarHBondContact O-N 2.77Å; F29-S31 VanDerWaalsContact O-N 3.1Å
32Y94.2Very high96.2Very high86 Ų8639 Ų3934%0.33726%0.264SS..SBendtrans-128.5145.8-177.2-63.9-86.2000111.9F27 N28 F29 R72 R98F27-Y32 AromaticContact CD2-CD2 3.58Å; F27-Y32 HydrophobicContact CD2-CD2 3.58Å; F27-Y32 AromaticContact CD2-CE2 3.95Å; F27-Y32 HydrophobicContact CD2-CE2 3.95Å; F27-Y32 HydrophobicContact CD2-CG 4.43Å; F27-Y32 AromaticContact CE2-CD2 4Å; F27-Y32 HydrophobicContact CE2-CD2 4Å; N28-Y32 VanDerWaalsContact O-CD2 3.25Å; N28-Y32 WeakPolarHBondContact O-CD2 3.2Å; F29-Y32 PolarHBondContact O-N 2.99Å; Y32-R72 PolarHBondContact O-NH1 2.79Å; Y32-R98 HydrophobicContact CD1-CG 4.11Å; Y32-R98 HydrophobicContact CG-CG 3.87Å
33S95.5Very high96.1Very high18 Ų1846.2 Ų46.213%0.12630%0.295CS..  trans-71.3149163.5-550000110.1Y50 I51 S52 D99S33-Y50 VanDerWaalsContact CB-CZ 3.41Å; S33-Y50 WeakPolarHBondContact CB-OH 3.3Å; S33-Y50 PolarHBondContact OG-OH 2.87Å; S33-I51 CarbonylContact C-O 3.58Å; S33-I51 VanDerWaalsContact CA-O 3.29Å; S33-I51 WeakPolarHBondContact CA-O 3.25Å; S33-I51 WeakPolarHBondContact CB-O 3.11Å; S33-S52 WeakPolarHBondContact OG-CA 3.16Å; S33-D99 WeakPolarHBondContact O-CB 3.42Å; S33-D99 PolarHBondContact O-N 2.76Å
34M96.8Very high96Very high0 Ų046.6 Ų46.60%030%0.304CS..EExtended strand (participates in β ladder)trans-130.4156.4-175.9-62.2-60.6-58.600109.7L4 F27 F29 I51 L79 R98L4-M34 HydrophobicContact CD1-CE 4.22Å; L4-M34 HydrophobicContact CD2-CE 3.88Å; F27-M34 HydrophobicContact CE2-SD 4.4Å; F27-M34 HydrophobicContact CZ-SD 4.27Å; F29-M34 HydrophobicContact CD2-CE 4.49Å; F29-M34 HydrophobicContact CD2-CG 4.15Å; F29-M34 HydrophobicContact CD2-SD 4.1Å; F29-M34 HydrophobicContact CE2-CE 4.04Å; F29-M34 HydrophobicContact CE2-CG 3.51Å; F29-M34 HydrophobicContact CE2-SD 3.9Å; F29-M34 HydrophobicContact CZ-CG 3.95Å; M34-I51 HydrophobicContact CB-CG2 4.14Å; M34-I51 PolarHBondContact N-O 3.22Å; M34-I51 WeakPolarHBondContact O-CG2 3.01Å; M34-I51 PolarHBondContact O-N 3.36Å; M34-L79 HydrophobicContact CB-CD1 3.96Å; M34-L79 HydrophobicContact CB-CD2 3.95Å; M34-L79 HydrophobicContact CB-CG 4.47Å; M34-R98 HydrophobicContact CE-CB 4.3Å; M34-R98 HydrophobicContact SD-CB 3.96Å; M34-R98 HydrophobicContact SD-CG 3.94Å
35N97.1Very high95.9Very high7 Ų751.1 Ų51.14%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-142.1154.8-174.8-58.8-85.8000111.6W47 S49 Y50 C96 A97N35-W47 HydrophobicContact CB-CE3 3.55Å; N35-W47 HydrophobicContact CB-CH2 3.74Å; N35-W47 HydrophobicContact CB-CZ3 2.94Å; N35-W47 VanDerWaalsContact CG-CZ3 3.46Å; N35-S49 VanDerWaalsContact CA-O 3.26Å; N35-S49 WeakPolarHBondContact CA-O 3.32Å; N35-S49 WeakPolarHBondContact CB-O 3.36Å; N35-S49 PolarHBondContact OD1-O 3.21Å; N35-Y50 WeakPolarHBondContact OD1-CB 3.45Å; N35-Y50 WeakPolarHBondContact OD1-CD2 3.5Å; N35-C96 VanDerWaalsContact O-CA 3.29Å; N35-C96 WeakPolarHBondContact O-CA 3.45Å; N35-A97 PolarHBondContact N-O 3.19Å; N35-A97 PolarHBondContact O-N 3.44Å
36W97.9Very high96Very high0 Ų051.7 Ų51.70%032%0.323CS..EExtended strand (participates in β ladder)trans-107.5138.3161.4-79.798.4000110.3E6 L20 C22 I48 S49 L79 L81 Y95 C96E6-W36 HydrophobicContact CB-CH2 4.41Å; E6-W36 HydrophobicContact CG-CH2 3.91Å; E6-W36 HydrophobicContact CG-CZ3 3.93Å; L20-W36 HydrophobicContact CB-CH2 3.72Å; L20-W36 HydrophobicContact CB-CZ2 3.96Å; L20-W36 HydrophobicContact CB-CZ3 4.36Å; L20-W36 HydrophobicContact CD1-CH2 4.28Å; L20-W36 HydrophobicContact CD1-CZ3 4.07Å; C22-W36 HydrophobicContact CB-CH2 4.05Å; C22-W36 HydrophobicContact CB-CZ2 3.91Å; W36-I48 HydrophobicContact CB-CB 4.1Å; W36-I48 HydrophobicContact CB-CG2 4.21Å; W36-I48 WeakPolarHBondContact O-CB 3.23Å; W36-I48 PolarHBondContact O-N 3.16Å; W36-S49 PolarHBondContact N-O 3.37Å; W36-S49 PolarHBondContact O-N 3.47Å; W36-L79 HydrophobicContact CD2-CD2 4.47Å; W36-L79 HydrophobicContact CG-CD2 4.28Å; W36-L79 VanDerWaalsContact NE1-CD2 3.27Å; W36-L81 HydrophobicContact CB-CD2 4.37Å; W36-L81 HydrophobicContact CD2-CB 4.1Å; W36-L81 HydrophobicContact CD2-CD2 4.17Å; W36-L81 HydrophobicContact CG-CB 4.19Å; W36-L81 HydrophobicContact CG-CD1 4.27Å; W36-L81 HydrophobicContact CG-CD2 4.09Å; W36-L81 HydrophobicContact CG-CG 4.43Å; W36-L81 HydrophobicContact CZ2-CB 4.22Å; W36-Y95 CarbonylContact C-O 3.47Å; W36-Y95 WeakPolarHBondContact CA-O 3.17Å; W36-Y95 VanDerWaalsContact CE3-O 3.3Å; W36-C96 HydrophobicContact CE3-CB 4.42Å; W36-C96 HydrophobicContact CH2-CB 4.37Å; W36-C96 HydrophobicContact CZ2-CB 4.45Å; W36-C96 HydrophobicContact CZ3-CB 4.34Å
37V97.9Very high96.1Very high1 Ų154.7 Ų54.71%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-127150.1174.8-161.60000107.8L45 E46 W47 Y94 Y95 W105V37-L45 HydrophobicContact CG1-CB 3.92Å; V37-L45 HydrophobicContact CG1-CD2 3.89Å; V37-L45 HydrophobicContact CG1-CG 4.42Å; V37-E46 CarbonylContact C-O 3.51Å; V37-E46 WeakPolarHBondContact CA-O 3.34Å; V37-E46 VanDerWaalsContact CG1-O 3.23Å; V37-E46 WeakPolarHBondContact CG1-O 3.14Å; V37-W47 HydrophobicContact CB-CE3 4.36Å; V37-W47 HydrophobicContact CB-CZ3 4.3Å; V37-W47 HydrophobicContact CG2-CD2 4.02Å; V37-W47 HydrophobicContact CG2-CE3 3.27Å; V37-W47 HydrophobicContact CG2-CH2 3.53Å; V37-W47 HydrophobicContact CG2-CZ2 4.29Å; V37-W47 HydrophobicContact CG2-CZ3 2.9Å; V37-Y94 CarbonylContact O-C 3.58Å; V37-Y94 WeakPolarHBondContact O-CA 3.47Å; V37-Y95 PolarHBondContact N-O 3.1Å; V37-Y95 PolarHBondContact O-N 2.99Å; V37-W105 HydrophobicContact CB-CH2 3.97Å; V37-W105 HydrophobicContact CB-CZ3 3.64Å; V37-W105 HydrophobicContact CG1-CH2 3.9Å; V37-W105 HydrophobicContact CG1-CZ3 3.9Å; V37-W105 HydrophobicContact CG2-CE3 4.4Å; V37-W105 HydrophobicContact CG2-CH2 3.41Å; V37-W105 VanDerWaalsContact CG2-CH2 3.41Å; V37-W105 HydrophobicContact CG2-CZ2 4.42Å; V37-W105 HydrophobicContact CG2-CZ3 3.39Å
38R97.6Very high96.3Very high12 Ų1253.1 Ų53.15%0.04531%0.31CS..EExtended strand (participates in β ladder)trans-127.7157.9164.977.5-179.8176.7-168.8-7.1112.6E46 I48 S63 D90 A92 V93 Y94R38-E46 HydrophobicContact CG-CB 4.23Å; R38-E46 IonicContact CZ-OE2 4Å; R38-E46 VanDerWaalsContact CZ-OE2 3.24Å; R38-E46 PolarHBondContact N-O 2.84Å; R38-E46 IonicContact NE-OE2 2.87Å; R38-E46 PolarHBondContact NE-OE2 2.99Å; R38-E46 IonicContact NH2-OE1 2.83Å; R38-E46 IonicContact NH2-OE2 3.63Å; R38-E46 PolarHBondContact NH2-OE2 2.98Å; R38-E46 PolarHBondContact O-N 2.77Å; R38-I48 HydrophobicContact CB-CG1 4.06Å; R38-I48 HydrophobicContact CG-CD1 3.75Å; R38-I48 HydrophobicContact CG-CG1 3.84Å; R38-S63 PolarHBondContact NH2-OG 3.41Å; R38-D90 IonicContact CZ-OD1 3.24Å; R38-D90 IonicContact NH1-OD1 2.77Å; R38-D90 PolarHBondContact NH1-OD1 2.96Å; R38-A92 HydrophobicContact CB-CB 3.82Å; R38-A92 HydrophobicContact CG-CB 4.12Å; R38-V93 CarbonylContact C-O 3.55Å; R38-V93 WeakPolarHBondContact CA-O 3.5Å; R38-Y94 HydrophobicContact CB-CD1 3.86Å; R38-Y94 HydrophobicContact CB-CD2 4.32Å; R38-Y94 HydrophobicContact CB-CE1 3.79Å; R38-Y94 HydrophobicContact CB-CE2 4.24Å; R38-Y94 HydrophobicContact CB-CG 4.13Å; R38-Y94 WeakPolarHBondContact CD-OH 3.42Å; R38-Y94 HydrophobicContact CG-CE1 4.46Å; R38-Y94 PolarHBondContact NH1-OH 3.21Å
39Q98.1Very high96.5Very high77 Ų7748.9 Ų48.936%0.3629%0.287SS..EExtended strand (participates in β ladder)trans-130.4106.8169.8-168177.523.800109.3K43 L45 A92 V93 Y95Q39-K43 WeakPolarHBondContact CG-O 3.23Å; Q39-L45 HydrophobicContact CB-CD2 4.06Å; Q39-L45 HydrophobicContact CG-CD2 4.47Å; Q39-A92 WeakPolarHBondContact O-CA 3.42Å; Q39-A92 WeakPolarHBondContact O-CB 3.32Å; Q39-V93 PolarHBondContact N-O 3.12Å; Q39-V93 PolarHBondContact O-N 3.07Å; Q39-Y95 HydrophobicContact CB-CE2 3.91Å; Q39-Y95 PolarHBondContact OE1-OH 3.05Å
40A97.6Very high96.6Very high24 Ų2451.7 Ų51.720%0.19830%0.298CS..  trans-75.7153.4172.800000110.7G42 K43 A92A40-G42 PolarHBondContact O-N 3.17Å; A40-K43 HydrophobicContact CB-CB 4.08Å; A40-K43 HydrophobicContact CB-CG 3.97Å; A40-K43 WeakPolarHBondContact O-CB 3.18Å; A40-K43 PolarHBondContact O-N 2.97Å; A40-A92 HydrophobicContact CB-CB 4.34Å
41P96.3Very high96.7Very high107 Ų10749.5 Ų49.570%0.69528%0.283SS*.THydrogen-bonded Turntrans-53.4126.1177-26.334.9000112.2K43 T91P41-K43 PolarHBondContact O-N 3.31Å; P41-T91 WeakPolarHBondContact CD-O 3.36Å
42G96.8Very high96.8Very high90 Ų9047 Ų4793%0.92827%0.266SS*.THydrogen-bonded Turntrans70.812.7-178.800000115.2A40A40-G42 PolarHBondContact O-N 3.17Å
43K96.4Very high96.8Very high150 Ų15046.1 Ų46.165%0.65227%0.267SS*.  trans-117.2162.3176.9-59.1-65.8-175.6176.70111.8Q39 A40 P41Q39-K43 WeakPolarHBondContact CG-O 3.23Å; A40-K43 HydrophobicContact CB-CB 4.08Å; A40-K43 HydrophobicContact CB-CG 3.97Å; A40-K43 WeakPolarHBondContact O-CB 3.18Å; A40-K43 PolarHBondContact O-N 2.97Å; P41-K43 PolarHBondContact O-N 3.31Å
44G95.8Very high96.7Very high56 Ų5650.4 Ų50.458%0.57729%0.288SS*.  trans-75178.717000000112.4
45L96.6Very high96.6Very high104 Ų10454.6 Ų54.655%0.54531%0.311SS..EExtended strand (participates in β ladder)trans-67.6136.6173.1-66.2170.3000110.7V37 Q39 Y95 W105V37-L45 HydrophobicContact CG1-CB 3.92Å; V37-L45 HydrophobicContact CG1-CD2 3.89Å; V37-L45 HydrophobicContact CG1-CG 4.42Å; Q39-L45 HydrophobicContact CB-CD2 4.06Å; Q39-L45 HydrophobicContact CG-CD2 4.47Å; L45-Y95 HydrophobicContact CD2-CD2 4.46Å; L45-Y95 HydrophobicContact CD2-CE2 4.3Å; L45-W105 HydrophobicContact CD1-CH2 4.02Å; L45-W105 HydrophobicContact CD1-CZ3 4.49Å; L45-W105 HydrophobicContact CD2-CZ3 4.36Å
46E96.9Very high96.5Very high66 Ų6657.4 Ų57.431%0.30833%0.328SS..EExtended strand (participates in β ladder)trans-123.3121.7175.3-176.9-174-171.500109.5V37 R38 I48 S63V37-E46 CarbonylContact C-O 3.51Å; V37-E46 WeakPolarHBondContact CA-O 3.34Å; V37-E46 VanDerWaalsContact CG1-O 3.23Å; V37-E46 WeakPolarHBondContact CG1-O 3.14Å; R38-E46 HydrophobicContact CG-CB 4.23Å; R38-E46 IonicContact CZ-OE2 4Å; R38-E46 VanDerWaalsContact CZ-OE2 3.24Å; R38-E46 PolarHBondContact N-O 2.84Å; R38-E46 IonicContact NE-OE2 2.87Å; R38-E46 PolarHBondContact NE-OE2 2.99Å; R38-E46 IonicContact NH2-OE1 2.83Å; R38-E46 IonicContact NH2-OE2 3.63Å; R38-E46 PolarHBondContact NH2-OE2 2.98Å; R38-E46 PolarHBondContact O-N 2.77Å; E46-I48 HydrophobicContact CG-CD1 4.09Å; E46-I48 PolarHBondContact O-N 2.82Å; E46-S63 VanDerWaalsContact OE1-CB 3.23Å; E46-S63 WeakPolarHBondContact OE1-CB 3.38Å; E46-S63 PolarHBondContact OE1-OG 2.89Å
47W96.1Very high96.5Very high118 Ų11859.8 Ų59.845%0.44734%0.343SS..EExtended strand (participates in β ladder)trans-68.9125.5171.3-79.1116000110.2N35 V37 F59 A97 W105N35-W47 HydrophobicContact CB-CE3 3.55Å; N35-W47 HydrophobicContact CB-CH2 3.74Å; N35-W47 HydrophobicContact CB-CZ3 2.94Å; N35-W47 VanDerWaalsContact CG-CZ3 3.46Å; V37-W47 HydrophobicContact CB-CE3 4.36Å; V37-W47 HydrophobicContact CB-CZ3 4.3Å; V37-W47 HydrophobicContact CG2-CD2 4.02Å; V37-W47 HydrophobicContact CG2-CE3 3.27Å; V37-W47 HydrophobicContact CG2-CH2 3.53Å; V37-W47 HydrophobicContact CG2-CZ2 4.29Å; V37-W47 HydrophobicContact CG2-CZ3 2.9Å; W47-F59 HydrophobicContact CB-CE1 3.95Å; W47-F59 WeakPolarHBondContact O-CE1 3.47Å; W47-A97 HydrophobicContact CH2-CB 3.97Å; W47-A97 HydrophobicContact CZ3-CB 4.3Å; W47-W105 HydrophobicContact CH2-CH2 4.2Å; W47-W105 HydrophobicContact CH2-CZ2 4.14Å; W47-W105 HydrophobicContact CZ2-CH2 4.46Å; W47-W105 HydrophobicContact CZ2-CZ2 4.31Å
48I97.4Very high96.4Very high0 Ų064.7 Ų64.70%037%0.369CS..EExtended strand (participates in β ladder)trans-99.3-41.5-176.3-67-48.6000111.1W36 R38 E46 Y60 G61 V64 I68 L81 Y94W36-I48 HydrophobicContact CB-CB 4.1Å; W36-I48 HydrophobicContact CB-CG2 4.21Å; W36-I48 WeakPolarHBondContact O-CB 3.23Å; W36-I48 PolarHBondContact O-N 3.16Å; R38-I48 HydrophobicContact CB-CG1 4.06Å; R38-I48 HydrophobicContact CG-CD1 3.75Å; R38-I48 HydrophobicContact CG-CG1 3.84Å; E46-I48 HydrophobicContact CG-CD1 4.09Å; E46-I48 PolarHBondContact O-N 2.82Å; I48-Y60 WeakPolarHBondContact O-CA 3.45Å; I48-G61 PolarHBondContact O-N 2.78Å; I48-V64 HydrophobicContact CD1-CG1 4.06Å; I48-V64 HydrophobicContact CD1-CG2 4.19Å; I48-V64 HydrophobicContact CG2-CG2 4.09Å; I48-I68 HydrophobicContact CG2-CD1 3.33Å; I48-L81 HydrophobicContact CG2-CD1 4.27Å; I48-L81 HydrophobicContact CG2-CD2 4.19Å; I48-Y94 HydrophobicContact CG1-CE1 4.4Å
49S97.3Very high96.3Very high0 Ų068.4 Ų68.40%039%0.385CS..EExtended strand (participates in β ladder)trans-157.8156.6176.564.20000112.8N35 W36 F59N35-S49 VanDerWaalsContact CA-O 3.26Å; N35-S49 WeakPolarHBondContact CA-O 3.32Å; N35-S49 WeakPolarHBondContact CB-O 3.36Å; N35-S49 PolarHBondContact OD1-O 3.21Å; W36-S49 PolarHBondContact N-O 3.37Å; W36-S49 PolarHBondContact O-N 3.47Å; S49-F59 VanDerWaalsContact CA-O 3.29Å; S49-F59 WeakPolarHBondContact CA-O 3.23Å
50Y96.7Very high96.3Very high60 Ų6067.7 Ų67.724%0.23538%0.38CS..EExtended strand (participates in β ladder)trans-127.5127170.1-179.4-77.7000109.1S33 N35 N58 F59 D99S33-Y50 VanDerWaalsContact CB-CZ 3.41Å; S33-Y50 WeakPolarHBondContact CB-OH 3.3Å; S33-Y50 PolarHBondContact OG-OH 2.87Å; N35-Y50 WeakPolarHBondContact OD1-CB 3.45Å; N35-Y50 WeakPolarHBondContact OD1-CD2 3.5Å; Y50-N58 HydrophobicContact CD1-CB 3.69Å; Y50-N58 HydrophobicContact CE1-CB 4.2Å; Y50-N58 WeakPolarHBondContact CE1-ND2 3.48Å; Y50-N58 PolarHBondContact O-N 2.69Å; Y50-F59 PolarHBondContact N-O 3.39Å; Y50-F59 VanDerWaalsContact N-O 3.13Å; Y50-D99 HydrophobicContact CE2-CB 4.37Å; Y50-D99 WeakPolarHBondContact CE2-OD2 3.33Å; Y50-D99 PolarHBondContact OH-OD2 3.07Å; Y50-D99 VanDerWaalsContact OH-OD2 3.07Å
51I97.4Very high96.2Very high0 Ų066.7 Ų66.70%037%0.372CS..EExtended strand (participates in β ladder)trans-128.1128.5174.4-168.1167.7000110.5S33 M34 N55 T56 V57 V70 R72 L79S33-I51 CarbonylContact C-O 3.58Å; S33-I51 VanDerWaalsContact CA-O 3.29Å; S33-I51 WeakPolarHBondContact CA-O 3.25Å; S33-I51 WeakPolarHBondContact CB-O 3.11Å; M34-I51 HydrophobicContact CB-CG2 4.14Å; M34-I51 PolarHBondContact N-O 3.22Å; M34-I51 WeakPolarHBondContact O-CG2 3.01Å; M34-I51 PolarHBondContact O-N 3.36Å; I51-N55 WeakPolarHBondContact CD1-OD1 3.47Å; I51-T56 WeakPolarHBondContact CA-O 3.01Å; I51-V57 HydrophobicContact CD1-CG2 3.95Å; I51-V57 HydrophobicContact CG1-CG2 4.12Å; I51-V70 HydrophobicContact CB-CG1 4.33Å; I51-V70 HydrophobicContact CB-CG2 4.42Å; I51-V70 HydrophobicContact CD1-CG1 4.4Å; I51-V70 HydrophobicContact CG2-CG2 4.12Å; I51-R72 HydrophobicContact CD1-CB 4.37Å; I51-R72 HydrophobicContact CD1-CG 3.87Å; I51-R72 HydrophobicContact CG1-CG 4.46Å; I51-L79 HydrophobicContact CG2-CD1 3.51Å
52S95.9Very high96.2Very high12 Ų1268.3 Ų68.38%0.08437%0.374CS..  trans-74.6168.8178.250.90000112.4S33 N54 N55 T56 R72S33-S52 WeakPolarHBondContact OG-CA 3.16Å; S52-N54 PolarHBondContact O-N 3.22Å; S52-N54 PolarHBondContact OG-OD1 3.42Å; S52-N55 PolarHBondContact O-N 2.92Å; S52-N55 VanDerWaalsContact O-N 3.14Å; S52-T56 PolarHBondContact N-O 3.14Å; S52-T56 VanDerWaalsContact OG-CB 3.28Å; S52-T56 WeakPolarHBondContact OG-CB 3.29Å; S52-T56 PolarHBondContact OG-N 2.89Å; S52-T56 PolarHBondContact OG-O 3.21Å; S52-R72 VanDerWaalsContact O-CD 3.28Å; S52-R72 WeakPolarHBondContact O-CD 3.29Å; S52-R72 PolarHBondContact O-NH1 3.31Å
53D94.4Very high96Very high67 Ų6766 Ų6636%0.35835%0.345SS..THydrogen-bonded Turntrans-52-37.4173.462.5-15.7000114.1S30 N55 N74S30-D53 WeakPolarHBondContact O-CB 3.36Å; D53-N55 VanDerWaalsContact C-N 3.27Å; D53-N55 PolarHBondContact O-N 2.83Å; D53-N74 PolarHBondContact O-ND2 2.91Å
54N93.5Very high95.9Very high107 Ų10758.9 Ų58.957%0.57231%0.314SS*.THydrogen-bonded Turntrans-85.818.7178.273.12.6000114.8S52 T56S52-N54 PolarHBondContact O-N 3.22Å; S52-N54 PolarHBondContact OG-OD1 3.42Å; N54-T56 VanDerWaalsContact C-N 3.26Å; N54-T56 PolarHBondContact O-N 2.52Å; N54-T56 VanDerWaalsContact OD1-CB 3.29Å; N54-T56 WeakPolarHBondContact OD1-CB 3.3Å; N54-T56 PolarHBondContact OD1-N 3.3Å; N54-T56 PolarHBondContact OD1-OG1 2.95Å
55N93.8Very high95.8Very high89 Ų8962.8 Ų62.848%0.47631%0.314SS..SBendtrans67.318.4178-154.125.4000114.8I51 S52 D53 R72I51-N55 WeakPolarHBondContact CD1-OD1 3.47Å; S52-N55 PolarHBondContact O-N 2.92Å; S52-N55 VanDerWaalsContact O-N 3.14Å; D53-N55 VanDerWaalsContact C-N 3.27Å; D53-N55 PolarHBondContact O-N 2.83Å; N55-R72 HydrophobicContact CB-CG 4.31Å; N55-R72 VanDerWaalsContact OD1-CG 3.22Å; N55-R72 WeakPolarHBondContact OD1-CG 3.43Å
56T97Very high95.7Very high66 Ų6661.7 Ų61.741%0.40533%0.328SS..  trans-86.8124.4174.4-55.40000110.1I51 S52 N54 N58I51-T56 WeakPolarHBondContact CA-O 3.01Å; S52-T56 PolarHBondContact N-O 3.14Å; S52-T56 VanDerWaalsContact OG-CB 3.28Å; S52-T56 WeakPolarHBondContact OG-CB 3.29Å; S52-T56 PolarHBondContact OG-N 2.89Å; S52-T56 PolarHBondContact OG-O 3.21Å; N54-T56 VanDerWaalsContact C-N 3.26Å; N54-T56 PolarHBondContact O-N 2.52Å; N54-T56 VanDerWaalsContact OD1-CB 3.29Å; N54-T56 WeakPolarHBondContact OD1-CB 3.3Å; N54-T56 PolarHBondContact OD1-N 3.3Å; N54-T56 PolarHBondContact OD1-OG1 2.95Å; T56-N58 PolarHBondContact O-N 2.95Å; T56-N58 PolarHBondContact O-ND2 2.93Å; T56-N58 VanDerWaalsContact O-ND2 3.14Å
57V96.7Very high95.6Very high50 Ų5059.7 Ų59.730%0.30332%0.318SS..EExtended strand (participates in β ladder)trans-85.1115.4174.7-172.30000108.9I51 Y60 V70I51-V57 HydrophobicContact CD1-CG2 3.95Å; I51-V57 HydrophobicContact CG1-CG2 4.12Å; V57-Y60 HydrophobicContact CB-CE2 4.32Å; V57-Y60 HydrophobicContact CG1-CD2 4.03Å; V57-Y60 HydrophobicContact CG1-CE1 4.23Å; V57-Y60 HydrophobicContact CG1-CE2 3.51Å; V57-V70 HydrophobicContact CB-CG1 4.28Å; V57-V70 HydrophobicContact CG1-CG1 3.64Å; V57-V70 HydrophobicContact CG2-CG1 3.6Å
58N95.2Very high95.6Very high103 Ų10354.5 Ų54.555%0.55130%0.299SS*.EExtended strand (participates in β ladder)trans-98.7-16.7-176.7-61.3-79000112.5Y50 T56Y50-N58 HydrophobicContact CD1-CB 3.69Å; Y50-N58 HydrophobicContact CE1-CB 4.2Å; Y50-N58 WeakPolarHBondContact CE1-ND2 3.48Å; Y50-N58 PolarHBondContact O-N 2.69Å; T56-N58 PolarHBondContact O-N 2.95Å; T56-N58 PolarHBondContact O-ND2 2.93Å; T56-N58 VanDerWaalsContact O-ND2 3.14Å
59F96.3Very high95.6Very high91 Ų9158 Ų5840%0.39932%0.32SS..EExtended strand (participates in β ladder)trans-152.5142.9-176.8175.5-100.8000112.5W47 S49 Y50W47-F59 HydrophobicContact CB-CE1 3.95Å; W47-F59 WeakPolarHBondContact O-CE1 3.47Å; S49-F59 VanDerWaalsContact CA-O 3.29Å; S49-F59 WeakPolarHBondContact CA-O 3.23Å; Y50-F59 PolarHBondContact N-O 3.39Å; Y50-F59 VanDerWaalsContact N-O 3.13Å
60Y97.8Very high95.7Very high62 Ų6258.2 Ų58.224%0.24332%0.322CS..EExtended strand (participates in β ladder)trans-130.7136162-75.2-70.2000108.4I48 V57 I68 V70I48-Y60 WeakPolarHBondContact O-CA 3.45Å; V57-Y60 HydrophobicContact CB-CE2 4.32Å; V57-Y60 HydrophobicContact CG1-CD2 4.03Å; V57-Y60 HydrophobicContact CG1-CE1 4.23Å; V57-Y60 HydrophobicContact CG1-CE2 3.51Å; Y60-I68 HydrophobicContact CD1-CD1 3.71Å; Y60-I68 HydrophobicContact CD1-CG1 3.82Å; Y60-I68 HydrophobicContact CE1-CD1 4.05Å; Y60-I68 HydrophobicContact CE1-CG1 3.97Å; Y60-V70 HydrophobicContact CE1-CB 4.39Å; Y60-V70 HydrophobicContact CE1-CG1 3.88Å; Y60-V70 PolarHBondContact OH-N 3.03Å
61G96.3Very high95.7Very high3 Ų357.5 Ų57.53%0.03133%0.325CS..  trans-63.1140.7172.600000111.6I48 S63 V64 K65I48-G61 PolarHBondContact O-N 2.78Å; G61-S63 PolarHBondContact O-N 2.75Å; G61-V64 WeakPolarHBondContact O-CG2 3.33Å; G61-V64 PolarHBondContact O-N 2.98Å; G61-V64 VanDerWaalsContact O-N 3.14Å; G61-K65 PolarHBondContact O-N 2.91Å
62D95.6Very high95.7Very high140 Ų14058.3 Ų58.375%0.74933%0.328SS*.THydrogen-bonded Turntrans-61.6-30.3-175.9-71.4-35.8000113V64D62-V64 PolarHBondContact O-N 2.02Å
63S93.4Very high95.8Very high43 Ų4360.8 Ų60.830%0.30134%0.34SS..THydrogen-bonded Turntrans-66.2-2317963.80000114.2R38 E46 G61 R67R38-S63 PolarHBondContact NH2-OG 3.41Å; E46-S63 VanDerWaalsContact OE1-CB 3.23Å; E46-S63 WeakPolarHBondContact OE1-CB 3.38Å; E46-S63 PolarHBondContact OE1-OG 2.89Å; G61-S63 PolarHBondContact O-N 2.75Å; S63-R67 PolarHBondContact O-NH2 3.43Å
64V94.1Very high95.9Very high0 Ų060.5 Ų60.50%034%0.339CS..THydrogen-bonded Turntrans-120.6-8-172-69.10000112.8I48 G61 D62 G66 R67 I68I48-V64 HydrophobicContact CD1-CG1 4.06Å; I48-V64 HydrophobicContact CD1-CG2 4.19Å; I48-V64 HydrophobicContact CG2-CG2 4.09Å; G61-V64 WeakPolarHBondContact O-CG2 3.33Å; G61-V64 PolarHBondContact O-N 2.98Å; G61-V64 VanDerWaalsContact O-N 3.14Å; D62-V64 PolarHBondContact O-N 2.02Å; V64-G66 PolarHBondContact O-N 2.77Å; V64-R67 PolarHBondContact O-N 2.93Å; V64-I68 HydrophobicContact CB-CD1 3.77Å; V64-I68 HydrophobicContact CB-CG1 3.84Å; V64-I68 HydrophobicContact CB-CG2 3.93Å; V64-I68 HydrophobicContact CG1-CG2 4.36Å; V64-I68 HydrophobicContact CG2-CD1 3.4Å; V64-I68 VanDerWaalsContact CG2-CD1 3.4Å; V64-I68 HydrophobicContact CG2-CG1 3.9Å; V64-I68 PolarHBondContact O-N 3.04Å
65K92.6Very high96Very high137 Ų13758.8 Ų58.860%0.59635%0.347SS*.THydrogen-bonded Turntrans-53.7131.4-177.4-165172.2-173.4172.80111.7G61 R67G61-K65 PolarHBondContact O-N 2.91Å; K65-R67 PolarHBondContact O-N 2.82Å
66G94.6Very high96.1Very high81 Ų8160 Ų6084%0.83535%0.349SS*.THydrogen-bonded Turntrans78.3-3.9-178.500000115.4V64V64-G66 PolarHBondContact O-N 2.77Å
67R96.3Very high96.2Very high25 Ų2559.8 Ų59.89%0.09435%0.346CS..THydrogen-bonded Turntrans-113.4-24.4177.7-62.1-171.5-58.7109.7-1.9113.3S63 V64 K65 N84 S85 D90S63-R67 PolarHBondContact O-NH2 3.43Å; V64-R67 PolarHBondContact O-N 2.93Å; K65-R67 PolarHBondContact O-N 2.82Å; R67-N84 WeakPolarHBondContact O-CB 3.46Å; R67-N84 PolarHBondContact O-N 2.92Å; R67-S85 PolarHBondContact NH1-O 2.87Å; R67-D90 IonicContact CZ-OD1 3.78Å; R67-D90 IonicContact CZ-OD2 3.48Å; R67-D90 IonicContact NH1-OD1 3.67Å; R67-D90 IonicContact NH1-OD2 2.69Å; R67-D90 PolarHBondContact NH1-OD2 2.88Å; R67-D90 IonicContact NH2-OD1 2.92Å; R67-D90 PolarHBondContact NH2-OD1 2.95Å; R67-D90 IonicContact NH2-OD2 3.39Å; R67-D90 PolarHBondContact NH2-OD2 2.91Å
68I95.8Very high96.2Very high9 Ų958 Ų585%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-110.6155.1177.867.1162.2000111.8I48 Y60 V64 L81 Q82 M83I48-I68 HydrophobicContact CG2-CD1 3.33Å; Y60-I68 HydrophobicContact CD1-CD1 3.71Å; Y60-I68 HydrophobicContact CD1-CG1 3.82Å; Y60-I68 HydrophobicContact CE1-CD1 4.05Å; Y60-I68 HydrophobicContact CE1-CG1 3.97Å; V64-I68 HydrophobicContact CB-CD1 3.77Å; V64-I68 HydrophobicContact CB-CG1 3.84Å; V64-I68 HydrophobicContact CB-CG2 3.93Å; V64-I68 HydrophobicContact CG1-CG2 4.36Å; V64-I68 HydrophobicContact CG2-CD1 3.4Å; V64-I68 VanDerWaalsContact CG2-CD1 3.4Å; V64-I68 HydrophobicContact CG2-CG1 3.9Å; V64-I68 PolarHBondContact O-N 3.04Å; I68-L81 HydrophobicContact CB-CD1 4.22Å; I68-L81 HydrophobicContact CD1-CD1 3.86Å; I68-Q82 CarbonylContact C-O 3.18Å; I68-Q82 WeakPolarHBondContact CA-O 3.44Å; I68-M83 HydrophobicContact CG2-CB 4.42Å; I68-M83 HydrophobicContact CG2-CG 4.16Å
69T97.7Very high96.4Very high73 Ų7353.1 Ų53.145%0.44831%0.31SS..EExtended strand (participates in β ladder)trans-133.5122.5169.6-55.60000108.3Q82T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 3.33Å
70V98.1Very high96.5Very high5 Ų550.4 Ų50.43%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-92.1141.3170.165.70000109.5I51 V57 Y60 L79 Y80 L81I51-V70 HydrophobicContact CB-CG1 4.33Å; I51-V70 HydrophobicContact CB-CG2 4.42Å; I51-V70 HydrophobicContact CD1-CG1 4.4Å; I51-V70 HydrophobicContact CG2-CG2 4.12Å; V57-V70 HydrophobicContact CB-CG1 4.28Å; V57-V70 HydrophobicContact CG1-CG1 3.64Å; V57-V70 HydrophobicContact CG2-CG1 3.6Å; Y60-V70 HydrophobicContact CE1-CB 4.39Å; Y60-V70 HydrophobicContact CE1-CG1 3.88Å; Y60-V70 PolarHBondContact OH-N 3.03Å; V70-L79 HydrophobicContact CG2-CD1 3.89Å; V70-Y80 WeakPolarHBondContact CA-O 2.99Å; V70-Y80 WeakPolarHBondContact CG2-O 3.29Å; V70-L81 HydrophobicContact CB-CD1 4.37Å
71S97.9Very high96.5Very high44 Ų4447.5 Ų47.531%0.30829%0.286SS..EExtended strand (participates in β ladder)trans-146162.2170.960.90000110.5L79 Y80S71-L79 WeakPolarHBondContact O-CD1 3.49Å; S71-Y80 PolarHBondContact N-O 3.27Å; S71-Y80 PolarHBondContact O-N 2.9Å
72R97.7Very high96.6Very high18 Ų1850.1 Ų50.17%0.06830%0.297CS..EExtended strand (participates in β ladder)trans-135.4153.9176.362.5-178.3-67.7155.33.4110.9F29 Y32 I51 S52 N55 N74 S78 L79F29-R72 HydrophobicContact CE1-CB 4.13Å; F29-R72 HydrophobicContact CZ-CB 4.12Å; F29-R72 PolarHBondContact O-NH2 2.92Å; Y32-R72 PolarHBondContact O-NH1 2.79Å; I51-R72 HydrophobicContact CD1-CB 4.37Å; I51-R72 HydrophobicContact CD1-CG 3.87Å; I51-R72 HydrophobicContact CG1-CG 4.46Å; S52-R72 VanDerWaalsContact O-CD 3.28Å; S52-R72 WeakPolarHBondContact O-CD 3.29Å; S52-R72 PolarHBondContact O-NH1 3.31Å; N55-R72 HydrophobicContact CB-CG 4.31Å; N55-R72 VanDerWaalsContact OD1-CG 3.22Å; N55-R72 WeakPolarHBondContact OD1-CG 3.43Å; R72-N74 PolarHBondContact NE-OD1 3.18Å; R72-N74 PolarHBondContact NH2-OD1 2.91Å; R72-S78 CarbonylContact C-O 3.47Å; R72-S78 WeakPolarHBondContact CA-O 3.26Å; R72-L79 HydrophobicContact CB-CD1 4.1Å
73D97.2Very high96.7Very high63 Ų6343.5 Ų43.534%0.33726%0.262SS..EExtended strand (participates in β ladder)trans-123.7116.6169.3-168.6-44.7000109G75 E76 N77 S78 Y80D73-G75 WeakPolarHBondContact OD1-CA 3.26Å; D73-G75 PolarHBondContact OD1-N 2.97Å; D73-E76 HydrophobicContact CB-CB 4.07Å; D73-E76 HydrophobicContact CB-CG 4.31Å; D73-E76 PolarHBondContact OD1-N 2.86Å; D73-N77 PolarHBondContact O-N 2.91Å; D73-N77 VanDerWaalsContact O-N 3.12Å; D73-S78 PolarHBondContact N-O 3.25Å; D73-S78 PolarHBondContact O-N 3.16Å; D73-Y80 HydrophobicContact CB-CE2 4.1Å
74N96.3Very high96.9Very high62 Ų6244 Ų4433%0.33226%0.261SS..THydrogen-bonded Turntrans-78.9-23.8-179.2-72.6-15.7000113D53 R72 N77D53-N74 PolarHBondContact O-ND2 2.91Å; R72-N74 PolarHBondContact NE-OD1 3.18Å; R72-N74 PolarHBondContact NH2-OD1 2.91Å; N74-N77 PolarHBondContact O-OD1 3.08Å
75G95.8Very high97Very high71 Ų7147.4 Ų47.473%0.73229%0.285SS*.THydrogen-bonded Turntrans-75.3-33.9174.400000112D73D73-G75 WeakPolarHBondContact OD1-CA 3.26Å; D73-G75 PolarHBondContact OD1-N 2.97Å
76E96.7Very high97.2Very high114 Ų11441 Ų4153%0.53326%0.257SS..THydrogen-bonded Turntrans-92.9-1.3178-59.8-177.2156.700113.7D73 S78 Y80D73-E76 HydrophobicContact CB-CB 4.07Å; D73-E76 HydrophobicContact CB-CG 4.31Å; D73-E76 PolarHBondContact OD1-N 2.86Å; E76-S78 PolarHBondContact O-N 2.85Å; E76-S78 PolarHBondContact O-OG 3.43Å; E76-Y80 PolarHBondContact OE2-OH 3.38Å
77N97.3Very high97.3Very high61 Ų6143.3 Ų43.333%0.32624%0.241SC..THydrogen-bonded Turntrans48.741.7-172-60.4-47.1000112.6A24 F29 D73 N74A24-N77 HydrophobicContact CB-CB 4.48Å; A24-N77 WeakPolarHBondContact CB-O 3.29Å; A24-N77 PolarHBondContact N-O 3.01Å; A24-N77 WeakPolarHBondContact O-CB 3.31Å; F29-N77 HydrophobicContact CB-CB 3.94Å; F29-N77 WeakPolarHBondContact CB-OD1 3.21Å; F29-N77 HydrophobicContact CG-CB 4.22Å; D73-N77 PolarHBondContact O-N 2.91Å; D73-N77 VanDerWaalsContact O-N 3.12Å; N74-N77 PolarHBondContact O-OD1 3.08Å
78S97.9Very high97.3Very high14 Ų1446 Ų4610%0.09826%0.26CS..EExtended strand (participates in β ladder)trans-126.3139.4-168.5-69.90000112.6C22 R72 D73 E76 Y80C22-S78 WeakPolarHBondContact O-CA 3.47Å; R72-S78 CarbonylContact C-O 3.47Å; R72-S78 WeakPolarHBondContact CA-O 3.26Å; D73-S78 PolarHBondContact N-O 3.25Å; D73-S78 PolarHBondContact O-N 3.16Å; E76-S78 PolarHBondContact O-N 2.85Å; E76-S78 PolarHBondContact O-OG 3.43Å; S78-Y80 WeakPolarHBondContact CB-OH 3.42Å
79L98.4Very high97.3Very high0 Ų052 Ų520%029%0.287CS..EExtended strand (participates in β ladder)trans-110.2140.2173.2-176.874.5000109.2S21 C22 F29 M34 W36 I51 V70 S71 R72 C96S21-L79 CarbonylContact C-O 3.39Å; S21-L79 VanDerWaalsContact CA-O 3.3Å; S21-L79 WeakPolarHBondContact CA-O 3.33Å; C22-L79 HydrophobicContact CB-CB 4.22Å; C22-L79 PolarHBondContact N-O 3.43Å; C22-L79 PolarHBondContact O-N 3.32Å; F29-L79 HydrophobicContact CE2-CB 4.42Å; F29-L79 HydrophobicContact CZ-CB 4.22Å; M34-L79 HydrophobicContact CB-CD1 3.96Å; M34-L79 HydrophobicContact CB-CD2 3.95Å; M34-L79 HydrophobicContact CB-CG 4.47Å; W36-L79 HydrophobicContact CD2-CD2 4.47Å; W36-L79 HydrophobicContact CG-CD2 4.28Å; W36-L79 VanDerWaalsContact NE1-CD2 3.27Å; I51-L79 HydrophobicContact CG2-CD1 3.51Å; V70-L79 HydrophobicContact CG2-CD1 3.89Å; S71-L79 WeakPolarHBondContact O-CD1 3.49Å; R72-L79 HydrophobicContact CB-CD1 4.1Å; L79-C96 HydrophobicContact CD2-CB 4.1Å
80Y98.6Very high97.2Very high34 Ų3448.6 Ų48.613%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-127144.7-177.2-58.7-73.9000111.4R19 L20 V70 S71 D73 E76 S78R19-Y80 VanDerWaalsContact NH2-CG 3.34Å; L20-Y80 WeakPolarHBondContact O-CA 3.34Å; V70-Y80 WeakPolarHBondContact CA-O 2.99Å; V70-Y80 WeakPolarHBondContact CG2-O 3.29Å; S71-Y80 PolarHBondContact N-O 3.27Å; S71-Y80 PolarHBondContact O-N 2.9Å; D73-Y80 HydrophobicContact CB-CE2 4.1Å; E76-Y80 PolarHBondContact OE2-OH 3.38Å; S78-Y80 WeakPolarHBondContact CB-OH 3.42Å
81L98.4Very high97.2Very high0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-126.6103.8170.7-170.669000108.9R19 L20 W36 I48 I68 V70 M83 Y94R19-L81 WeakPolarHBondContact CA-O 3.44Å; L20-L81 HydrophobicContact CB-CB 4.17Å; L20-L81 HydrophobicContact CD1-CD2 4.14Å; L20-L81 PolarHBondContact N-O 3.42Å; L20-L81 PolarHBondContact O-N 3Å; W36-L81 HydrophobicContact CB-CD2 4.37Å; W36-L81 HydrophobicContact CD2-CB 4.1Å; W36-L81 HydrophobicContact CD2-CD2 4.17Å; W36-L81 HydrophobicContact CG-CB 4.19Å; W36-L81 HydrophobicContact CG-CD1 4.27Å; W36-L81 HydrophobicContact CG-CD2 4.09Å; W36-L81 HydrophobicContact CG-CG 4.43Å; W36-L81 HydrophobicContact CZ2-CB 4.22Å; I48-L81 HydrophobicContact CG2-CD1 4.27Å; I48-L81 HydrophobicContact CG2-CD2 4.19Å; I68-L81 HydrophobicContact CB-CD1 4.22Å; I68-L81 HydrophobicContact CD1-CD1 3.86Å; V70-L81 HydrophobicContact CB-CD1 4.37Å; L81-M83 HydrophobicContact CD2-CG 3.97Å; L81-M83 HydrophobicContact CD2-SD 4.07Å; L81-M83 HydrophobicContact CG-CG 3.93Å; L81-Y94 HydrophobicContact CD2-CD1 3.93Å; L81-Y94 HydrophobicContact CD2-CE1 4.03Å
82Q98.3Very high97.2Very high58 Ų5848 Ų4827%0.27126%0.262SS..EExtended strand (participates in β ladder)trans-80.8121.2169.3-177.961.441.500108.4L18 I68 T69 N84L18-Q82 PolarHBondContact O-NE2 2.83Å; I68-Q82 CarbonylContact C-O 3.18Å; I68-Q82 WeakPolarHBondContact CA-O 3.44Å; T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 3.33Å; Q82-N84 PolarHBondContact NE2-OD1 3.48Å
83M97.7Very high97.3Very high2 Ų249 Ų491%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-113.4122.6178.5-56.2172.972.900108.6S17 L18 L20 I68 L81 L86 D90 Y94S17-M83 CarbonylContact C-O 3.42Å; S17-M83 WeakPolarHBondContact CA-O 3.4Å; S17-M83 VanDerWaalsContact CB-O 3.29Å; S17-M83 WeakPolarHBondContact CB-O 3.48Å; L18-M83 PolarHBondContact N-O 2.93Å; L18-M83 PolarHBondContact O-N 2.96Å; L20-M83 HydrophobicContact CD1-SD 3.97Å; L20-M83 HydrophobicContact CG-SD 4.07Å; I68-M83 HydrophobicContact CG2-CB 4.42Å; I68-M83 HydrophobicContact CG2-CG 4.16Å; L81-M83 HydrophobicContact CD2-CG 3.97Å; L81-M83 HydrophobicContact CD2-SD 4.07Å; L81-M83 HydrophobicContact CG-CG 3.93Å; M83-L86 HydrophobicContact CB-CD2 3.88Å; M83-L86 HydrophobicContact CE-CD2 3.54Å; M83-L86 HydrophobicContact SD-CD2 4.36Å; M83-D90 HydrophobicContact CE-CB 4.28Å; M83-Y94 HydrophobicContact CE-CE1 3.84Å; M83-Y94 HydrophobicContact CE-CE2 4.09Å; M83-Y94 VanDerWaalsContact CE-CZ 3.44Å; M83-Y94 WeakPolarHBondContact CE-OH 3.47Å; M83-Y94 HydrophobicContact SD-CE1 4.33Å
84N96.9Very high97.3Very high54 Ų5446.1 Ų46.129%0.28925%0.254SS..  trans-121.2155.5178.2-56.4-54.2000110.5S17 R67 Q82 L86S17-N84 PolarHBondContact OG-OD1 2.93Å; R67-N84 WeakPolarHBondContact O-CB 3.46Å; R67-N84 PolarHBondContact O-N 2.92Å; Q82-N84 PolarHBondContact NE2-OD1 3.48Å; N84-L86 VanDerWaalsContact C-N 3.29Å; N84-L86 PolarHBondContact O-N 2.93Å
85S96.3Very high97.4Very high71 Ų7145 Ų4550%0.49725%0.245SC..SBendtrans51.452.5179.1-54.80000111G16 R67G16-S85 PolarHBondContact O-N 2.82Å; G16-S85 VanDerWaalsContact O-N 3.16Å; R67-S85 PolarHBondContact NH1-O 2.87Å
86L97.1Very high97.5Very high2 Ų241.6 Ų41.61%0.0121%0.211CC..  trans-56.2142.1-178.3-77.5169.1000111.1A12 P14 G15 G16 L18 M83 N84 D90 V113A12-L86 HydrophobicContact CB-CD1 3.56Å; P14-L86 WeakPolarHBondContact CA-O 3.46Å; G15-L86 PolarHBondContact N-O 2.62Å; G16-L86 WeakPolarHBondContact O-CB 3.44Å; G16-L86 WeakPolarHBondContact O-CG 3.44Å; G16-L86 PolarHBondContact O-N 3.11Å; L18-L86 HydrophobicContact CB-CD1 4.15Å; L18-L86 HydrophobicContact CD1-CD1 3.88Å; L18-L86 HydrophobicContact CG-CD1 3.76Å; M83-L86 HydrophobicContact CB-CD2 3.88Å; M83-L86 HydrophobicContact CE-CD2 3.54Å; M83-L86 HydrophobicContact SD-CD2 4.36Å; N84-L86 VanDerWaalsContact C-N 3.29Å; N84-L86 PolarHBondContact O-N 2.93Å; L86-D90 HydrophobicContact CD2-CB 4.11Å; L86-V113 HydrophobicContact CB-CG1 4.35Å; L86-V113 HydrophobicContact CB-CG2 4.07Å; L86-V113 HydrophobicContact CD1-CG2 4.42Å; L86-V113 HydrophobicContact CD2-CG2 4.28Å
87R96.4Very high97.4Very high130 Ų13036.2 Ų36.249%0.49119%0.186SC..  trans-121.3160.9176.3-50.5177.7174.5167.9-3.2110E89 D90 V113R87-E89 WeakPolarHBondContact CB-OE2 3.5Å; R87-E89 PolarHBondContact O-N 2.82Å; R87-E89 VanDerWaalsContact O-N 3.17Å; R87-D90 PolarHBondContact N-OD2 2.89Å; R87-D90 WeakPolarHBondContact O-CB 3.38Å; R87-D90 PolarHBondContact O-N 3.05Å; R87-V113 WeakPolarHBondContact O-CB 3.37Å; R87-V113 WeakPolarHBondContact O-CG2 3.43Å
88V96.3Very high97.3Very high82 Ų8234.3 Ų34.350%0.49717%0.174SC..G310 helixtrans-57.3-33.6178.8178.10000110.9P14 D90 T91P14-V88 HydrophobicContact CG-CG2 4.25Å; V88-D90 PolarHBondContact O-N 2.96Å; V88-T91 WeakPolarHBondContact O-CB 3.34Å; V88-T91 PolarHBondContact O-N 2.78Å; V88-T91 VanDerWaalsContact O-N 3.09Å; V88-T91 PolarHBondContact O-OG1 2.97Å
89E95.3Very high96.7Very high134 Ų13437 Ų3763%0.62619%0.187SC*.G310 helixtrans-68.8-11.4177.4-50.978.6-160.200113.7R87 T91R87-E89 WeakPolarHBondContact CB-OE2 3.5Å; R87-E89 PolarHBondContact O-N 2.82Å; R87-E89 VanDerWaalsContact O-N 3.17Å; E89-T91 VanDerWaalsContact C-N 3.25Å
90D96.9Very high95.6Very high1 Ų138.5 Ų38.51%0.00520%0.202CC..G310 helixtrans-83-0.9172.8-58-45.5000112.7R38 R67 M83 L86 R87 V88 A92 Y94 V113R38-D90 IonicContact CZ-OD1 3.24Å; R38-D90 IonicContact NH1-OD1 2.77Å; R38-D90 PolarHBondContact NH1-OD1 2.96Å; R67-D90 IonicContact CZ-OD1 3.78Å; R67-D90 IonicContact CZ-OD2 3.48Å; R67-D90 IonicContact NH1-OD1 3.67Å; R67-D90 IonicContact NH1-OD2 2.69Å; R67-D90 PolarHBondContact NH1-OD2 2.88Å; R67-D90 IonicContact NH2-OD1 2.92Å; R67-D90 PolarHBondContact NH2-OD1 2.95Å; R67-D90 IonicContact NH2-OD2 3.39Å; R67-D90 PolarHBondContact NH2-OD2 2.91Å; M83-D90 HydrophobicContact CE-CB 4.28Å; L86-D90 HydrophobicContact CD2-CB 4.11Å; R87-D90 PolarHBondContact N-OD2 2.89Å; R87-D90 WeakPolarHBondContact O-CB 3.38Å; R87-D90 PolarHBondContact O-N 3.05Å; V88-D90 PolarHBondContact O-N 2.96Å; D90-A92 PolarHBondContact O-N 3.13Å; D90-A92 VanDerWaalsContact O-N 3.15Å; D90-Y94 WeakPolarHBondContact O-CE2 3.33Å; D90-Y94 PolarHBondContact O-OH 3.22Å; D90-Y94 VanDerWaalsContact O-OH 3.13Å; D90-V113 HydrophobicContact CB-CG2 4.48Å
91T98.1Very high93.9Very high34 Ų3441.1 Ų41.121%0.20924%0.24CC..  trans-65.6111172.2-61.40000110.6P41 V88 E89 V111 T112 V113P41-T91 WeakPolarHBondContact CD-O 3.36Å; V88-T91 WeakPolarHBondContact O-CB 3.34Å; V88-T91 PolarHBondContact O-N 2.78Å; V88-T91 VanDerWaalsContact O-N 3.09Å; V88-T91 PolarHBondContact O-OG1 2.97Å; E89-T91 VanDerWaalsContact C-N 3.25Å; T91-V111 WeakPolarHBondContact CA-O 3.28Å; T91-T112 HydrophobicContact CG2-CG2 4.46Å; T91-V113 PolarHBondContact OG1-N 3.14Å; T91-V113 PolarHBondContact OG1-O 2.61Å
92A98.3Very high92.3Very high4 Ų447.1 Ų47.13%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-164.6167.9-175.900000111.6R38 Q39 A40 D90 Y94 V111R38-A92 HydrophobicContact CB-CB 3.82Å; R38-A92 HydrophobicContact CG-CB 4.12Å; Q39-A92 WeakPolarHBondContact O-CA 3.42Å; Q39-A92 WeakPolarHBondContact O-CB 3.32Å; A40-A92 HydrophobicContact CB-CB 4.34Å; D90-A92 PolarHBondContact O-N 3.13Å; D90-A92 VanDerWaalsContact O-N 3.15Å; A92-Y94 HydrophobicContact CB-CD2 4.19Å; A92-Y94 HydrophobicContact CB-CE2 3.75Å; A92-V111 PolarHBondContact N-O 3.22Å; A92-V111 VanDerWaalsContact N-O 3.11Å; A92-V111 PolarHBondContact O-N 3.29Å
93V98.6Very high91.3Very high39 Ų3947.8 Ų47.824%0.23628%0.282CS..EExtended strand (participates in β ladder)trans-85.3127.6159.2-1730000108.1R38 Q39 Y95R38-V93 CarbonylContact C-O 3.55Å; R38-V93 WeakPolarHBondContact CA-O 3.5Å; Q39-V93 PolarHBondContact N-O 3.12Å; Q39-V93 PolarHBondContact O-N 3.07Å; V93-Y95 HydrophobicContact CB-CE2 3.91Å; V93-Y95 HydrophobicContact CG1-CD1 4.34Å; V93-Y95 HydrophobicContact CG1-CD2 4.46Å; V93-Y95 HydrophobicContact CG1-CE1 3.64Å; V93-Y95 HydrophobicContact CG1-CE2 3.8Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.47Å
94Y98.5Very high90.9Very high1 Ų150.7 Ų50.70%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-105.7126.9179.4-76.7-101.6000110L20 V37 R38 I48 L81 M83 D90 A92 G108 T109 V111L20-Y94 HydrophobicContact CD1-CD1 3.91Å; L20-Y94 HydrophobicContact CD1-CD2 4.26Å; L20-Y94 HydrophobicContact CD1-CG 3.66Å; V37-Y94 CarbonylContact O-C 3.58Å; V37-Y94 WeakPolarHBondContact O-CA 3.47Å; R38-Y94 HydrophobicContact CB-CD1 3.86Å; R38-Y94 HydrophobicContact CB-CD2 4.32Å; R38-Y94 HydrophobicContact CB-CE1 3.79Å; R38-Y94 HydrophobicContact CB-CE2 4.24Å; R38-Y94 HydrophobicContact CB-CG 4.13Å; R38-Y94 WeakPolarHBondContact CD-OH 3.42Å; R38-Y94 HydrophobicContact CG-CE1 4.46Å; R38-Y94 PolarHBondContact NH1-OH 3.21Å; I48-Y94 HydrophobicContact CG1-CE1 4.4Å; L81-Y94 HydrophobicContact CD2-CD1 3.93Å; L81-Y94 HydrophobicContact CD2-CE1 4.03Å; M83-Y94 HydrophobicContact CE-CE1 3.84Å; M83-Y94 HydrophobicContact CE-CE2 4.09Å; M83-Y94 VanDerWaalsContact CE-CZ 3.44Å; M83-Y94 WeakPolarHBondContact CE-OH 3.47Å; M83-Y94 HydrophobicContact SD-CE1 4.33Å; D90-Y94 WeakPolarHBondContact O-CE2 3.33Å; D90-Y94 PolarHBondContact O-OH 3.22Å; D90-Y94 VanDerWaalsContact O-OH 3.13Å; A92-Y94 HydrophobicContact CB-CD2 4.19Å; A92-Y94 HydrophobicContact CB-CE2 3.75Å; Y94-G108 CarbonylContact O-C 3.59Å; Y94-G108 WeakPolarHBondContact O-CA 3.35Å; Y94-T109 PolarHBondContact N-O 3.14Å; Y94-T109 PolarHBondContact O-N 2.89Å; Y94-V111 HydrophobicContact CD2-CB 3.94Å; Y94-V111 HydrophobicContact CD2-CG2 3.72Å; Y94-V111 HydrophobicContact CE2-CB 3.82Å; Y94-V111 HydrophobicContact CE2-CG1 4.48Å; Y94-V111 HydrophobicContact CE2-CG2 3.96Å
95Y98.3Very high90.8Very high39 Ų3952.6 Ų52.615%0.15330%0.298CS..EExtended strand (participates in β ladder)trans-116.4140.7-179.4-50.1-89.5000109.8E6 W36 V37 Q39 L45 V93 W105 Q107 G108E6-Y95 VanDerWaalsContact OE1-CA 3.3Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.44Å; W36-Y95 CarbonylContact C-O 3.47Å; W36-Y95 WeakPolarHBondContact CA-O 3.17Å; W36-Y95 VanDerWaalsContact CE3-O 3.3Å; V37-Y95 PolarHBondContact N-O 3.1Å; V37-Y95 PolarHBondContact O-N 2.99Å; Q39-Y95 HydrophobicContact CB-CE2 3.91Å; Q39-Y95 PolarHBondContact OE1-OH 3.05Å; L45-Y95 HydrophobicContact CD2-CD2 4.46Å; L45-Y95 HydrophobicContact CD2-CE2 4.3Å; V93-Y95 HydrophobicContact CB-CE2 3.91Å; V93-Y95 HydrophobicContact CG1-CD1 4.34Å; V93-Y95 HydrophobicContact CG1-CD2 4.46Å; V93-Y95 HydrophobicContact CG1-CE1 3.64Å; V93-Y95 HydrophobicContact CG1-CE2 3.8Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.47Å; Y95-W105 HydrophobicContact CD2-CZ3 4.45Å; Y95-W105 HydrophobicContact CG-CE3 4.15Å; Y95-W105 HydrophobicContact CG-CZ3 4.31Å; Y95-Q107 WeakPolarHBondContact CE1-O 3.22Å; Y95-G108 VanDerWaalsContact CD1-CA 3.48Å
96C96.6Very high90.8Very high0 Ų049.5 Ų49.50%028%0.278CS..EExtended strand (participates in β ladder)trans-94.8142.8161.261.90000110.1L4 E6 C22 N35 W36 L79 G106L4-C96 WeakPolarHBondContact CD1-O 3.47Å; E6-C96 VanDerWaalsContact CD-SG 3.54Å; E6-C96 HydrophobicContact CG-CB 4.34Å; E6-C96 PolarHBondContact OE1-N 2.88Å; E6-C96 PolarHBondContact OE1-SG 3.49Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 3.29Å; C22-C96 WeakPolarHBondContact SG-CB 3.5Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.42Å; N35-C96 VanDerWaalsContact O-CA 3.29Å; N35-C96 WeakPolarHBondContact O-CA 3.45Å; W36-C96 HydrophobicContact CE3-CB 4.42Å; W36-C96 HydrophobicContact CH2-CB 4.37Å; W36-C96 HydrophobicContact CZ2-CB 4.45Å; W36-C96 HydrophobicContact CZ3-CB 4.34Å; L79-C96 HydrophobicContact CD2-CB 4.1Å; C96-G106 PolarHBondContact O-N 2.79Å
97A95.9Very high90.7Very high1 Ų157.9 Ų57.91%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-139.2139.7-17900000111.7N35 W47 F104 W105N35-A97 PolarHBondContact N-O 3.19Å; N35-A97 PolarHBondContact O-N 3.44Å; W47-A97 HydrophobicContact CH2-CB 3.97Å; W47-A97 HydrophobicContact CZ3-CB 4.3Å; A97-F104 CarbonylContact C-O 3.52Å; A97-F104 VanDerWaalsContact CA-O 3.26Å; A97-F104 WeakPolarHBondContact CA-O 3.46Å; A97-W105 HydrophobicContact CB-CD2 3.78Å; A97-W105 HydrophobicContact CB-CE3 4.08Å; A97-W105 HydrophobicContact CB-CG 4.19Å; A97-W105 HydrophobicContact CB-CZ2 4.23Å; A97-W105 HydrophobicContact CB-CZ3 4.45Å
98R94.3Very high90.7Very high21 Ų2152.8 Ų52.88%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-83.8131.5172.1-169.8-16576.3169.4-2.5110F27 Y32 M34 L102 F104F27-R98 HydrophobicContact CE2-CG 3.97Å; F27-R98 HydrophobicContact CZ-CB 4.48Å; F27-R98 HydrophobicContact CZ-CG 4.27Å; Y32-R98 HydrophobicContact CD1-CG 4.11Å; Y32-R98 HydrophobicContact CG-CG 3.87Å; M34-R98 HydrophobicContact CE-CB 4.3Å; M34-R98 HydrophobicContact SD-CB 3.96Å; M34-R98 HydrophobicContact SD-CG 3.94Å; R98-L102 PolarHBondContact NH2-O 2.75Å; R98-F104 HydrophobicContact CB-CB 4.44Å; R98-F104 PolarHBondContact N-O 3.1Å
99D86Confident90.8Very high69 Ų6949.7 Ų49.737%0.36929%0.286SS..  trans-71.7147.3172.5-165.822.4000111.8S33 Y50S33-D99 WeakPolarHBondContact O-CB 3.42Å; S33-D99 PolarHBondContact O-N 2.76Å; Y50-D99 HydrophobicContact CE2-CB 4.37Å; Y50-D99 WeakPolarHBondContact CE2-OD2 3.33Å; Y50-D99 PolarHBondContact OH-OD2 3.07Å; Y50-D99 VanDerWaalsContact OH-OD2 3.07Å
100G74.9Confident91Very high32 Ų3247.1 Ų47.133%0.3328%0.279SS..SBendtrans124.3172.6177.300000116.2L102 S103G100-L102 CarbonylContact O-C 3.55Å; G100-L102 PolarHBondContact O-N 2.78Å; G100-L102 VanDerWaalsContact O-N 3.08Å; G100-S103 PolarHBondContact O-N 2.92Å; G100-S103 PolarHBondContact O-OG 3.27Å
101G62Low91Very high89 Ų8947 Ų4792%0.91828%0.279SS*.SBendtrans-62.4-17.2-165.800000117.3
102L64.9Low91Very high126 Ų12648 Ų4866%0.6629%0.285SS*.SBendtrans-119.297158.7-66.9173.9000106R98 G100 F104R98-L102 PolarHBondContact NH2-O 2.75Å; G100-L102 CarbonylContact O-C 3.55Å; G100-L102 PolarHBondContact O-N 2.78Å; G100-L102 VanDerWaalsContact O-N 3.08Å; L102-F104 HydrophobicContact CB-CE2 4.49Å; L102-F104 HydrophobicContact CB-CZ 4.36Å; L102-F104 PolarHBondContact O-N 2.84Å
103S76.9Confident91Very high72 Ų7248 Ų4850%0.50329%0.285SS..  trans-73.3115179.5-47.20000108.7G100G100-S103 PolarHBondContact O-N 2.92Å; G100-S103 PolarHBondContact O-OG 3.27Å
104F90.1Very high90.7Very high64 Ų6448.1 Ų48.128%0.28129%0.289SS..  trans-92.3135.6173.5-64-70.8000109.1V2 L4 A97 R98 L102V2-F104 HydrophobicContact CB-CD1 3.98Å; V2-F104 HydrophobicContact CB-CD2 4.18Å; V2-F104 HydrophobicContact CB-CE1 3.93Å; V2-F104 HydrophobicContact CB-CE2 4.1Å; V2-F104 HydrophobicContact CB-CG 4.12Å; V2-F104 HydrophobicContact CB-CZ 4Å; V2-F104 HydrophobicContact CG1-CB 3.87Å; V2-F104 HydrophobicContact CG1-CD1 3.8Å; V2-F104 HydrophobicContact CG1-CD2 3.52Å; V2-F104 HydrophobicContact CG1-CE1 4.2Å; V2-F104 HydrophobicContact CG1-CE2 3.92Å; V2-F104 HydrophobicContact CG1-CG 3.45Å; V2-F104 VanDerWaalsContact CG1-CG 3.45Å; V2-F104 HydrophobicContact CG1-CZ 4.26Å; V2-F104 HydrophobicContact CG2-CD2 4.29Å; V2-F104 HydrophobicContact CG2-CE1 4.22Å; V2-F104 HydrophobicContact CG2-CE2 3.81Å; V2-F104 HydrophobicContact CG2-CZ 3.79Å; L4-F104 HydrophobicContact CD1-CB 4.41Å; L4-F104 VanDerWaalsContact CD1-O 3.29Å; L4-F104 WeakPolarHBondContact CD1-O 3.49Å; A97-F104 CarbonylContact C-O 3.52Å; A97-F104 VanDerWaalsContact CA-O 3.26Å; A97-F104 WeakPolarHBondContact CA-O 3.46Å; R98-F104 HydrophobicContact CB-CB 4.44Å; R98-F104 PolarHBondContact N-O 3.1Å; L102-F104 HydrophobicContact CB-CE2 4.49Å; L102-F104 HydrophobicContact CB-CZ 4.36Å; L102-F104 PolarHBondContact O-N 2.84Å
105W94.8Very high89.8Confident94 Ų9455 Ų5536%0.35634%0.338SS..BIsolated β-bridgetrans-120143.7-180-69.770.9000109.2V37 L45 W47 Y95 A97V37-W105 HydrophobicContact CB-CH2 3.97Å; V37-W105 HydrophobicContact CB-CZ3 3.64Å; V37-W105 HydrophobicContact CG1-CH2 3.9Å; V37-W105 HydrophobicContact CG1-CZ3 3.9Å; V37-W105 HydrophobicContact CG2-CE3 4.4Å; V37-W105 HydrophobicContact CG2-CH2 3.41Å; V37-W105 VanDerWaalsContact CG2-CH2 3.41Å; V37-W105 HydrophobicContact CG2-CZ2 4.42Å; V37-W105 HydrophobicContact CG2-CZ3 3.39Å; L45-W105 HydrophobicContact CD1-CH2 4.02Å; L45-W105 HydrophobicContact CD1-CZ3 4.49Å; L45-W105 HydrophobicContact CD2-CZ3 4.36Å; W47-W105 HydrophobicContact CH2-CH2 4.2Å; W47-W105 HydrophobicContact CH2-CZ2 4.14Å; W47-W105 HydrophobicContact CZ2-CH2 4.46Å; W47-W105 HydrophobicContact CZ2-CZ2 4.31Å; Y95-W105 HydrophobicContact CD2-CZ3 4.45Å; Y95-W105 HydrophobicContact CG-CE3 4.15Å; Y95-W105 HydrophobicContact CG-CZ3 4.31Å; A97-W105 HydrophobicContact CB-CD2 3.78Å; A97-W105 HydrophobicContact CB-CE3 4.08Å; A97-W105 HydrophobicContact CB-CG 4.19Å; A97-W105 HydrophobicContact CB-CZ2 4.23Å; A97-W105 HydrophobicContact CB-CZ3 4.45Å
106G95.5Very high89.3Confident6 Ų655.8 Ų55.86%0.06235%0.347CS..  trans-74.6173.5164.900000111.7L4 E6 C96 G108L4-G106 VanDerWaalsContact O-CA 3.25Å; L4-G106 WeakPolarHBondContact O-CA 3.42Å; E6-G106 WeakPolarHBondContact OE1-CA 3.25Å; E6-G106 WeakPolarHBondContact OE2-CA 3.28Å; C96-G106 PolarHBondContact O-N 2.79Å; G106-G108 PolarHBondContact O-N 3.01Å
107Q95.2Very high89Confident177 Ų17758.7 Ų58.783%0.82737%0.365SS*.  trans-75.5-17.1178.8-63.9-61.1-59.700111.9E6 Y95E6-Q107 PolarHBondContact OE2-N 3.25Å; E6-Q107 VanDerWaalsContact OE2-N 3.17Å; Y95-Q107 WeakPolarHBondContact CE1-O 3.22Å
108G97.6Very high88.6Confident23 Ų2361.9 Ų61.924%0.23739%0.385CS..  trans88.2157.3179.500000113.3E6 Y94 Y95 G106E6-G108 VanDerWaalsContact CD-N 3.32Å; E6-G108 PolarHBondContact OE1-N 3.34Å; E6-G108 PolarHBondContact OE2-N 2.81Å; Y94-G108 CarbonylContact O-C 3.59Å; Y94-G108 WeakPolarHBondContact O-CA 3.35Å; Y95-G108 VanDerWaalsContact CD1-CA 3.48Å; G106-G108 PolarHBondContact O-N 3.01Å
109T98.4Very high88.2Confident18 Ų1864.4 Ų64.411%0.1140%0.403CS..EExtended strand (participates in β ladder)trans-123.4139.6173.7-171.20000109.7E6 G9 L20 Y94E6-T109 HydrophobicContact CB-CG2 3.87Å; G9-T109 VanDerWaalsContact CA-OG1 3.31Å; G9-T109 WeakPolarHBondContact CA-OG1 3.48Å; G9-T109 PolarHBondContact N-OG1 3.5Å; L20-T109 HydrophobicContact CD1-CG2 4.06Å; L20-T109 HydrophobicContact CD2-CG2 4.1Å; Y94-T109 PolarHBondContact N-O 3.14Å; Y94-T109 PolarHBondContact O-N 2.89Å
110T98.4Very high88.4Confident79 Ų7964.1 Ų64.149%0.48541%0.405SS..EExtended strand (participates in β ladder)trans-86131.4179.9-59.40000110.1G9 D10G9-T110 CarbonylContact C-O 3.52Å; G9-T110 WeakPolarHBondContact CA-O 3.18Å; D10-T110 PolarHBondContact N-O 2.99Å
111V98.3Very high89.3Confident0 Ų066.2 Ų66.20%041%0.41CS..EExtended strand (participates in β ladder)trans-111.8128167.1172.30000107.5L18 L20 T91 A92 Y94 V113L18-V111 HydrophobicContact CD1-CG1 3.76Å; L18-V111 HydrophobicContact CD1-CG2 4.27Å; L20-V111 HydrophobicContact CD1-CG2 4.13Å; L20-V111 HydrophobicContact CD2-CG2 3.84Å; T91-V111 WeakPolarHBondContact CA-O 3.28Å; A92-V111 PolarHBondContact N-O 3.22Å; A92-V111 VanDerWaalsContact N-O 3.11Å; A92-V111 PolarHBondContact O-N 3.29Å; Y94-V111 HydrophobicContact CD2-CB 3.94Å; Y94-V111 HydrophobicContact CD2-CG2 3.72Å; Y94-V111 HydrophobicContact CE2-CB 3.82Å; Y94-V111 HydrophobicContact CE2-CG1 4.48Å; Y94-V111 HydrophobicContact CE2-CG2 3.96Å; V111-V113 HydrophobicContact CG1-CG2 4.18Å
112T98Very high91.2Very high55 Ų5564.6 Ų64.634%0.33737%0.374SS..EExtended strand (participates in β ladder)trans-118.9126.8175.2-56.40000109.3D10 L11 A12 T91D10-T112 PolarHBondContact O-N 3.09Å; D10-T112 VanDerWaalsContact O-N 3.08Å; L11-T112 CarbonylContact C-O 3.57Å; L11-T112 WeakPolarHBondContact CA-O 3.39Å; L11-T112 HydrophobicContact CD1-CG2 3.78Å; A12-T112 PolarHBondContact N-O 3.32Å; T91-T112 HydrophobicContact CG2-CG2 4.46Å
113V96.8Very high93.2Very high4 Ų459.8 Ų59.82%0.02435%0.352CS..EExtended strand (participates in β ladder)trans-114.5107.2175.7-174.30000108.8A12 P14 L86 R87 D90 T91 V111A12-V113 VanDerWaalsContact O-CA 3.27Å; A12-V113 WeakPolarHBondContact O-CA 3.29Å; P14-V113 HydrophobicContact CB-CG1 4.45Å; P14-V113 HydrophobicContact CG-CG1 4.07Å; L86-V113 HydrophobicContact CB-CG1 4.35Å; L86-V113 HydrophobicContact CB-CG2 4.07Å; L86-V113 HydrophobicContact CD1-CG2 4.42Å; L86-V113 HydrophobicContact CD2-CG2 4.28Å; R87-V113 WeakPolarHBondContact O-CB 3.37Å; R87-V113 WeakPolarHBondContact O-CG2 3.43Å; D90-V113 HydrophobicContact CB-CG2 4.48Å; T91-V113 PolarHBondContact OG1-N 3.14Å; T91-V113 PolarHBondContact OG1-O 2.61Å; V111-V113 HydrophobicContact CG1-CG2 4.18Å
114A92.8Very high94.6Very high40 Ų4058.8 Ų58.833%0.33134%0.339SS..  trans-138.4149.2-177.500000111.1L11 A12 Q13L11-A114 HydrophobicContact CD1-CB 4.03Å; A12-A114 PolarHBondContact O-N 3.33Å; A12-A114 VanDerWaalsContact O-N 3.09Å; Q13-A114 PolarHBondContact NE2-O 3.33Å; Q13-A114 PolarHBondContact OE1-O 2.98Å
115S79.1Confident95Very high146 Ų14658.4 Ų58.4100%1.02135%0.345SS*.  trans-78.80173.859.80000111.6Q13Q13-S115 PolarHBondContact NE2-OXT 3.24Å; Q13-S115 PolarHBondContact OE1-OXT 2.87Å

Retrieved 115 of 115 residues in 113.5 ms (Link to these results)

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