A0A077Z9R5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9R5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M25.9Very low28.8Very low249 Ų249100.5 Ų100.5100%1.22749%0.493SS*.  0117.90-102.9173.3151.100108.6
2A22.9Very low29.1Very low63 Ų63104.2 Ų104.252%0.52151%0.505SS..  trans-86.5113.6175.900000109.9L4 A31A2-L4 PolarHBondContact O-N 3.1Å; A2-A31 HydrophobicContact CB-CB 3.24Å
3S22.9Very low29.6Very low72 Ų7297.5 Ų97.550%0.50347%0.471SS..  trans-77.7116174.660.90000110R5S3-R5 PolarHBondContact O-N 2.9Å
4L25.4Very low29.7Very low89 Ų89102.5 Ų102.547%0.46649%0.493SS..EExtended strand (participates in β ladder)trans-64.6122.2165-90.9146.8000108.9A2 F6 V27A2-L4 PolarHBondContact O-N 3.1Å; L4-F6 HydrophobicContact CB-CE2 3.95Å; L4-F6 HydrophobicContact CB-CZ 3.9Å; L4-F6 HydrophobicContact CD2-CE1 4.41Å; L4-F6 HydrophobicContact CD2-CZ 4.32Å; L4-F6 HydrophobicContact CG-CZ 4.5Å; L4-V27 HydrophobicContact CD2-CG1 3.74Å
5R27.4Very low29.8Very low169 Ų16998 Ų9864%0.63848%0.476SS*.EExtended strand (participates in β ladder)trans-109.1117172.3-71.6-174.7-176.7171.50.5108.6S3 S28S3-R5 PolarHBondContact O-N 2.9Å; R5-S28 PolarHBondContact N-O 2.93Å; R5-S28 PolarHBondContact O-N 3.04Å
6F28.3Very low29.8Very low131 Ų13199.6 Ų99.658%0.57550%0.5SS*.EExtended strand (participates in β ladder)trans-92.1136.6177.7-53.8-87.5000109.3L4 V27L4-F6 HydrophobicContact CB-CE2 3.95Å; L4-F6 HydrophobicContact CB-CZ 3.9Å; L4-F6 HydrophobicContact CD2-CE1 4.41Å; L4-F6 HydrophobicContact CD2-CZ 4.32Å; L4-F6 HydrophobicContact CG-CZ 4.5Å; F6-V27 HydrophobicContact CD1-CB 4.45Å; F6-V27 HydrophobicContact CD1-CG1 3.82Å; F6-V27 HydrophobicContact CD1-CG2 4.07Å; F6-V27 HydrophobicContact CE1-CG1 3.74Å; F6-V27 HydrophobicContact CE1-CG2 4.43Å
7W30.5Very low29.8Very low117 Ų117101.2 Ų101.244%0.44351%0.509SS..EExtended strand (participates in β ladder)trans-122.5108.1171.8-63.679.2000107.6T26W7-T26 PolarHBondContact N-O 3.09Å; W7-T26 PolarHBondContact O-N 3.12Å; W7-T26 VanDerWaalsContact O-O 3.13Å
8I31.5Very low29.8Very low97 Ų9798.3 Ų98.350%0.49750%0.5SS..EExtended strand (participates in β ladder)trans-95.9120.1175-63.4167.4000106.7I23 V25 V149I8-I23 HydrophobicContact CG2-CG2 3.91Å; I8-V25 HydrophobicContact CG1-CG1 3.86Å; I8-V25 HydrophobicContact CG1-CG2 4.14Å; I8-V25 HydrophobicContact CG2-CG2 4.2Å; I8-V149 HydrophobicContact CD1-CG1 4.23Å
9S32Very low30.1Very low11 Ų1196.4 Ų96.48%0.07750%0.495CS..EExtended strand (participates in β ladder)trans-132.2120.4-179.4-66.30000112.6V11 V24 S98S9-V11 PolarHBondContact O-N 3.38Å; S9-V24 CarbonylContact C-O 3.57Å; S9-V24 PolarHBondContact N-O 2.92Å; S9-V24 WeakPolarHBondContact O-CA 3.2Å; S9-V24 PolarHBondContact O-N 2.81Å; S9-S98 WeakPolarHBondContact CB-O 3.19Å; S9-S98 WeakPolarHBondContact OG-CA 3.34Å; S9-S98 PolarHBondContact OG-O 2.89Å
10K34.9Very low30.4Very low101 Ų10192.8 Ų92.844%0.43948%0.478SS..EExtended strand (participates in β ladder)trans-81.5106.3175.4-174173.7-179178.80108.3D21 I23K10-D21 WeakPolarHBondContact CE-OD2 3.19Å; K10-D21 IonicContact NZ-OD2 2.73Å; K10-D21 PolarHBondContact NZ-OD2 3.16Å; K10-I23 HydrophobicContact CB-CG1 4.47Å; K10-I23 HydrophobicContact CG-CG1 4.2Å
11V35.1Very low30.7Very low7 Ų789.1 Ų89.14%0.04246%0.459CS..EExtended strand (participates in β ladder)trans-96.5109173-172.70000108S9 F13 I22 V24 L95S9-V11 PolarHBondContact O-N 3.38Å; V11-F13 HydrophobicContact CB-CD2 4.47Å; V11-F13 HydrophobicContact CB-CE2 3.94Å; V11-F13 HydrophobicContact CG1-CD2 3.98Å; V11-F13 HydrophobicContact CG1-CE1 4.47Å; V11-F13 HydrophobicContact CG1-CE2 3.44Å; V11-F13 VanDerWaalsContact CG1-CE2 3.44Å; V11-F13 HydrophobicContact CG1-CZ 3.73Å; V11-I22 CarbonylContact C-O 3.59Å; V11-I22 WeakPolarHBondContact CA-O 2.76Å; V11-I22 PolarHBondContact N-O 3.37Å; V11-I22 CarbonylContact O-C 3.6Å; V11-I22 PolarHBondContact O-N 3.14Å; V11-V24 HydrophobicContact CB-CG2 4.27Å; V11-V24 HydrophobicContact CG2-CB 4.32Å; V11-V24 HydrophobicContact CG2-CG2 3.72Å; V11-L95 HydrophobicContact CG2-CD2 4.3Å
12K32.2Very low31.4Very low144 Ų14477.5 Ų77.563%0.62640%0.402SS*.EExtended strand (participates in β ladder)trans-79.3121173-61.1-158171.4175.20109.1D21K12-D21 WeakPolarHBondContact CD-OD1 3.2Å; K12-D21 WeakPolarHBondContact CE-OD1 3.38Å; K12-D21 WeakPolarHBondContact CG-OD1 3.38Å
13F35Very low32Very low17 Ų1775.6 Ų75.68%0.07538%0.382CS..EExtended strand (participates in β ladder)trans-100120.2170.8-74.3-86000109.4V11 C15 V20 I22 A88 A90 V111V11-F13 HydrophobicContact CB-CD2 4.47Å; V11-F13 HydrophobicContact CB-CE2 3.94Å; V11-F13 HydrophobicContact CG1-CD2 3.98Å; V11-F13 HydrophobicContact CG1-CE1 4.47Å; V11-F13 HydrophobicContact CG1-CE2 3.44Å; V11-F13 VanDerWaalsContact CG1-CE2 3.44Å; V11-F13 HydrophobicContact CG1-CZ 3.73Å; F13-C15 PolarHBondContact O-N 2.75Å; F13-V20 PolarHBondContact N-O 2.89Å; F13-V20 PolarHBondContact O-N 3.11Å; F13-I22 HydrophobicContact CD2-CB 3.94Å; F13-I22 HydrophobicContact CD2-CD1 3.54Å; F13-I22 HydrophobicContact CD2-CG1 3.81Å; F13-I22 HydrophobicContact CE2-CB 4.09Å; F13-I22 HydrophobicContact CE2-CD1 3.84Å; F13-I22 HydrophobicContact CE2-CG1 4.29Å; F13-I22 HydrophobicContact CG-CD1 4.39Å; F13-A88 HydrophobicContact CD1-CB 3.35Å; F13-A88 HydrophobicContact CE1-CB 3.35Å; F13-A88 HydrophobicContact CG-CB 4.37Å; F13-A88 HydrophobicContact CZ-CB 4.37Å; F13-A90 HydrophobicContact CE1-CB 4.13Å; F13-A90 HydrophobicContact CZ-CB 4.42Å; F13-V111 HydrophobicContact CZ-CB 4.25Å; F13-V111 HydrophobicContact CZ-CG2 4.04Å
14H31.4Very low32.8Very low168 Ų16872.6 Ų72.678%0.77836%0.361SS*.EExtended strand (participates in β ladder)trans-84.1101.7165.5-89-50.5000108.7
15C31.4Very low33.2Very low35 Ų3569.9 Ų69.924%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-89.6148.1162.6-63.30000108.6F13 I17 S18 I56F13-C15 PolarHBondContact O-N 2.75Å; C15-I17 PolarHBondContact O-N 2.95Å; C15-S18 PolarHBondContact O-N 3.36Å; C15-I56 HydrophobicContact CB-CD1 4.19Å
16S30.6Very low33.6Very low123 Ų12361.9 Ų61.986%0.8632%0.318SS*.THydrogen-bonded Turntrans-58.4-10.2-17644.10000115.4
17I29.8Very low33.6Very low127 Ų12757.2 Ų57.265%0.65130%0.3SS*.THydrogen-bonded Turntrans-117.7-26.4-172.1-45.6174.4000111.9C15C15-I17 PolarHBondContact O-N 2.95Å
18S29Very low33.6Very low49 Ų4953.6 Ų53.634%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-170.9142.7174.3-1720000110.7C15 V20C15-S18 PolarHBondContact O-N 3.36Å; S18-V20 PolarHBondContact O-N 2.69Å
19P34.9Very low33.5Very low62 Ų6249.4 Ų49.440%0.40327%0.272SS..EExtended strand (participates in β ladder)trans-65.7125.8172.625.8-32000111.1
20V37.2Very low33.3Very low25 Ų2553.7 Ų53.715%0.15231%0.308CS..EExtended strand (participates in β ladder)trans-107.6117.1173.7-175.90000108.4F13 S18 I22 V42F13-V20 PolarHBondContact N-O 2.89Å; F13-V20 PolarHBondContact O-N 3.11Å; S18-V20 PolarHBondContact O-N 2.69Å; V20-I22 HydrophobicContact CG1-CD1 4.35Å; V20-I22 HydrophobicContact CG1-CG1 3.89Å; V20-I22 PolarHBondContact O-N 3.15Å; V20-V42 HydrophobicContact CG1-CG1 4.3Å
21D36.8Very low32.8Very low15 Ų1552 Ų528%0.0831%0.313CS..EExtended strand (participates in β ladder)trans-84.6109.3173.9-83.8-13.7000109K10 K12 R43K10-D21 WeakPolarHBondContact CE-OD2 3.19Å; K10-D21 IonicContact NZ-OD2 2.73Å; K10-D21 PolarHBondContact NZ-OD2 3.16Å; K12-D21 WeakPolarHBondContact CD-OD1 3.2Å; K12-D21 WeakPolarHBondContact CE-OD1 3.38Å; K12-D21 WeakPolarHBondContact CG-OD1 3.38Å; D21-R43 WeakPolarHBondContact CB-O 3.39Å; D21-R43 CarbonylContact O-C 3.5Å; D21-R43 PolarHBondContact O-N 2.94Å; D21-R43 VanDerWaalsContact O-N 3.11Å
22I40Very low32.5Very low6 Ų657 Ų573%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-103.6123.8175.7-58.7-173.3000108.3V11 F13 V20 V24 V42 I113V11-I22 CarbonylContact C-O 3.59Å; V11-I22 WeakPolarHBondContact CA-O 2.76Å; V11-I22 PolarHBondContact N-O 3.37Å; V11-I22 CarbonylContact O-C 3.6Å; V11-I22 PolarHBondContact O-N 3.14Å; F13-I22 HydrophobicContact CD2-CB 3.94Å; F13-I22 HydrophobicContact CD2-CD1 3.54Å; F13-I22 HydrophobicContact CD2-CG1 3.81Å; F13-I22 HydrophobicContact CE2-CB 4.09Å; F13-I22 HydrophobicContact CE2-CD1 3.84Å; F13-I22 HydrophobicContact CE2-CG1 4.29Å; F13-I22 HydrophobicContact CG-CD1 4.39Å; V20-I22 HydrophobicContact CG1-CD1 4.35Å; V20-I22 HydrophobicContact CG1-CG1 3.89Å; V20-I22 PolarHBondContact O-N 3.15Å; I22-V24 HydrophobicContact CG2-CG2 4.24Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 4.28Å; I22-V42 HydrophobicContact CG2-CG2 4.22Å; I22-I113 HydrophobicContact CD1-CD1 3.19Å; I22-I113 HydrophobicContact CD1-CG1 4.3Å
23I36.2Very low32.2Very low22 Ų2254 Ų5411%0.11334%0.336CS..EExtended strand (participates in β ladder)trans-96107.9173-56.1176.5000107.3I8 K10 V25 A41 R43I8-I23 HydrophobicContact CG2-CG2 3.91Å; K10-I23 HydrophobicContact CB-CG1 4.47Å; K10-I23 HydrophobicContact CG-CG1 4.2Å; I23-V25 HydrophobicContact CG2-CG2 4.09Å; I23-A41 CarbonylContact C-O 3.53Å; I23-A41 WeakPolarHBondContact CA-O 3.37Å; I23-A41 WeakPolarHBondContact CB-O 3.39Å; I23-A41 PolarHBondContact N-O 3.17Å; I23-A41 PolarHBondContact O-N 3.18Å; I23-R43 HydrophobicContact CD1-CB 3.93Å; I23-R43 HydrophobicContact CG1-CB 4.33Å
24V39.9Very low32Very low9 Ų958.3 Ų58.36%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-86.7116.9171.5175.30000107.7S9 V11 I22 F40 L99S9-V24 CarbonylContact C-O 3.57Å; S9-V24 PolarHBondContact N-O 2.92Å; S9-V24 WeakPolarHBondContact O-CA 3.2Å; S9-V24 PolarHBondContact O-N 2.81Å; V11-V24 HydrophobicContact CB-CG2 4.27Å; V11-V24 HydrophobicContact CG2-CB 4.32Å; V11-V24 HydrophobicContact CG2-CG2 3.72Å; I22-V24 HydrophobicContact CG2-CG2 4.24Å; V24-F40 HydrophobicContact CB-CD1 3.75Å; V24-F40 HydrophobicContact CB-CE1 3.8Å; V24-F40 HydrophobicContact CG1-CD1 3.51Å; V24-F40 HydrophobicContact CG1-CE1 3.11Å; V24-F40 HydrophobicContact CG1-CZ 4.02Å; V24-F40 HydrophobicContact CG2-CD1 3.64Å; V24-F40 HydrophobicContact CG2-CE1 3.68Å; V24-L99 HydrophobicContact CB-CD1 4.47Å; V24-L99 HydrophobicContact CG1-CD1 3.84Å; V24-L99 HydrophobicContact CG1-CD2 3.81Å; V24-L99 HydrophobicContact CG1-CG 4.34Å
25V32.9Very low31.8Very low32 Ų3259 Ų5919%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-104.9115.6169.3-172.80000108.8I8 I23 R39I8-V25 HydrophobicContact CG1-CG1 3.86Å; I8-V25 HydrophobicContact CG1-CG2 4.14Å; I8-V25 HydrophobicContact CG2-CG2 4.2Å; I23-V25 HydrophobicContact CG2-CG2 4.09Å; V25-R39 VanDerWaalsContact CB-O 3.27Å; V25-R39 WeakPolarHBondContact CB-O 3.35Å; V25-R39 PolarHBondContact N-O 3.32Å; V25-R39 PolarHBondContact O-N 3.41Å
26T35.5Very low31.6Very low2 Ų258.4 Ų58.41%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-104.1124176.3-61.30000108.9W7 W38 L99 I101W7-T26 PolarHBondContact N-O 3.09Å; W7-T26 PolarHBondContact O-N 3.12Å; W7-T26 VanDerWaalsContact O-O 3.13Å; T26-W38 HydrophobicContact CG2-CD2 3.93Å; T26-W38 HydrophobicContact CG2-CE3 3.61Å; T26-W38 HydrophobicContact CG2-CH2 3.44Å; T26-W38 VanDerWaalsContact CG2-CH2 3.44Å; T26-W38 HydrophobicContact CG2-CZ2 3.81Å; T26-W38 HydrophobicContact CG2-CZ3 3.38Å; T26-W38 WeakPolarHBondContact OG1-CZ3 3.43Å; T26-L99 HydrophobicContact CG2-CD2 4.34Å; T26-L99 WeakPolarHBondContact OG1-CD2 3.24Å; T26-I101 HydrophobicContact CG2-CD1 4.31Å
27V29.5Very low31.6Very low32 Ų3255.4 Ų55.419%0.19434%0.338CS..EExtended strand (participates in β ladder)trans-105121.4176.2-170.90000107.2L4 F6L4-V27 HydrophobicContact CD2-CG1 3.74Å; F6-V27 HydrophobicContact CD1-CB 4.45Å; F6-V27 HydrophobicContact CD1-CG1 3.82Å; F6-V27 HydrophobicContact CD1-CG2 4.07Å; F6-V27 HydrophobicContact CE1-CG1 3.74Å; F6-V27 HydrophobicContact CE1-CG2 4.43Å
28S29.5Very low31.6Very low41 Ų4150.8 Ų50.829%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-129.4125172.8165.20000109.2R5R5-S28 PolarHBondContact N-O 2.93Å; R5-S28 PolarHBondContact O-N 3.04Å
29S28.6Very low31.6Very low9 Ų951.8 Ų51.86%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-105.1128.8166.7166.40000107.1A31 L32S29-A31 PolarHBondContact O-N 3.47Å; S29-A31 PolarHBondContact OG-N 2.89Å; S29-L32 PolarHBondContact O-N 3.11Å; S29-L32 VanDerWaalsContact O-N 3.11Å; S29-L32 PolarHBondContact OG-N 2.67Å
30A28Very low31.4Very low102 Ų10249.2 Ų49.284%0.84329%0.291SS*.THydrogen-bonded Turntrans-60.8-9.917500000113.6
31A25Very low31.1Very low66 Ų6649.1 Ų49.155%0.54529%0.293SS..THydrogen-bonded Turntrans-115-2.5177.300000114.5A2 S29A2-A31 HydrophobicContact CB-CB 3.24Å; S29-A31 PolarHBondContact O-N 3.47Å; S29-A31 PolarHBondContact OG-N 2.89Å
32L28.6Very low30.9Very low110 Ų11051.1 Ų51.158%0.57631%0.306SS*.SBendtrans-101.9110170.4-63.7169.6000106.5S29S29-L32 PolarHBondContact O-N 3.11Å; S29-L32 VanDerWaalsContact O-N 3.11Å; S29-L32 PolarHBondContact OG-N 2.67Å
33S26.7Very low30.4Very low82 Ų8256.9 Ų56.957%0.57333%0.327SS*.  trans-3.3147.6149.7-170.60000115.5Y35S33-Y35 PolarHBondContact O-N 3.32Å
34P29.7Very low30.3Very low107 Ų10760.1 Ų60.170%0.69534%0.341SS*.SBendtrans-54.814-173.317.7-31.3000119
35Y28.7Very low29.9Very low183 Ų18360.9 Ų60.972%0.71835%0.347SS*.  trans-125.831.7-167-60.9-81.9000114.2S33S33-Y35 PolarHBondContact O-N 3.32Å
36A26.5Very low30.1Very low23 Ų2365.2 Ų65.219%0.1938%0.376CS..PPolyproline II helixtrans-70.2128.1169.700000109.8W38A36-W38 PolarHBondContact O-N 3.25Å; A36-W38 VanDerWaalsContact O-N 3.14Å; A36-W38 PolarHBondContact O-NE1 2.91Å
37P30Very low30.1Very low59 Ų5969.2 Ų69.238%0.38342%0.417SS..PPolyproline II helixtrans-67.6117.3177.524-28.6000109.1L134 V155P37-L134 HydrophobicContact CB-CD1 4.2Å; P37-V155 HydrophobicContact CG-CB 4.4Å; P37-V155 HydrophobicContact CG-CG1 3.64Å; P37-V155 HydrophobicContact CG-CG2 3.82Å
38W30.8Very low30.6Very low30 Ų3072.5 Ų72.511%0.11443%0.43CS..PPolyproline II helixtrans-62.1153.3170.8-54.351.7000107T26 A36 F40 L99 I101 L102 L125 L134T26-W38 HydrophobicContact CG2-CD2 3.93Å; T26-W38 HydrophobicContact CG2-CE3 3.61Å; T26-W38 HydrophobicContact CG2-CH2 3.44Å; T26-W38 VanDerWaalsContact CG2-CH2 3.44Å; T26-W38 HydrophobicContact CG2-CZ2 3.81Å; T26-W38 HydrophobicContact CG2-CZ3 3.38Å; T26-W38 WeakPolarHBondContact OG1-CZ3 3.43Å; A36-W38 PolarHBondContact O-N 3.25Å; A36-W38 VanDerWaalsContact O-N 3.14Å; A36-W38 PolarHBondContact O-NE1 2.91Å; W38-F40 HydrophobicContact CB-CD2 4.35Å; W38-F40 HydrophobicContact CB-CE2 3.55Å; W38-F40 HydrophobicContact CB-CZ 4.01Å; W38-F40 AromaticContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CG-CE2 4.48Å; W38-L99 HydrophobicContact CZ3-CD2 3.96Å; W38-I101 HydrophobicContact CH2-CG2 4.39Å; W38-I101 HydrophobicContact CZ2-CG2 4.39Å; W38-L102 HydrophobicContact CH2-CD1 4.13Å; W38-L102 HydrophobicContact CH2-CD2 3.5Å; W38-L102 VanDerWaalsContact CH2-CD2 3.5Å; W38-L102 HydrophobicContact CH2-CG 3.6Å; W38-L102 HydrophobicContact CZ2-CD2 4.14Å; W38-L102 HydrophobicContact CZ3-CD1 3.95Å; W38-L102 HydrophobicContact CZ3-CD2 4.11Å; W38-L102 HydrophobicContact CZ3-CG 3.94Å; W38-L125 HydrophobicContact CE3-CD1 4.04Å; W38-L125 HydrophobicContact CZ3-CD1 4.1Å; W38-L134 VanDerWaalsContact C-CD2 3.49Å; W38-L134 HydrophobicContact CB-CD1 3.77Å; W38-L134 HydrophobicContact CB-CD2 4.13Å; W38-L134 HydrophobicContact CB-CG 4.42Å; W38-L134 HydrophobicContact CG-CD1 4.4Å; W38-L134 WeakPolarHBondContact O-CD1 3.37Å; W38-L134 WeakPolarHBondContact O-CD2 3.46Å; W38-L134 WeakPolarHBondContact O-CG 3.48Å
39R28.5Very low30.9Very low71 Ų7181.2 Ų81.227%0.26846%0.457SS..EExtended strand (participates in β ladder)trans-133.7116.3173.9-78.3-176.1167.1145.4-8.2107.7V25 L153 T154 V155V25-R39 VanDerWaalsContact CB-O 3.27Å; V25-R39 WeakPolarHBondContact CB-O 3.35Å; V25-R39 PolarHBondContact N-O 3.32Å; V25-R39 PolarHBondContact O-N 3.41Å; R39-L153 PolarHBondContact NH1-O 3.1Å; R39-L153 PolarHBondContact NH2-O 2.77Å; R39-T154 VanDerWaalsContact NH2-C 3.34Å; R39-T154 PolarHBondContact NH2-O 2.91Å; R39-V155 VanDerWaalsContact CZ-CG2 3.43Å
40F31.8Very low31.4Very low7 Ų785.6 Ų85.63%0.03149%0.485CS..EExtended strand (participates in β ladder)trans-102.4142.6-178.9-58.2-101.2000109.6V24 W38 V123 L125 L134 V136V24-F40 HydrophobicContact CB-CD1 3.75Å; V24-F40 HydrophobicContact CB-CE1 3.8Å; V24-F40 HydrophobicContact CG1-CD1 3.51Å; V24-F40 HydrophobicContact CG1-CE1 3.11Å; V24-F40 HydrophobicContact CG1-CZ 4.02Å; V24-F40 HydrophobicContact CG2-CD1 3.64Å; V24-F40 HydrophobicContact CG2-CE1 3.68Å; W38-F40 HydrophobicContact CB-CD2 4.35Å; W38-F40 HydrophobicContact CB-CE2 3.55Å; W38-F40 HydrophobicContact CB-CZ 4.01Å; W38-F40 AromaticContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CE3-CZ 3.96Å; W38-F40 HydrophobicContact CG-CE2 4.48Å; F40-V123 HydrophobicContact CB-CG2 4.26Å; F40-V123 HydrophobicContact CD1-CG1 4.33Å; F40-V123 HydrophobicContact CD2-CB 4.13Å; F40-V123 HydrophobicContact CD2-CG1 4.32Å; F40-V123 HydrophobicContact CE1-CG1 4.27Å; F40-V123 HydrophobicContact CE2-CB 4.44Å; F40-V123 HydrophobicContact CE2-CG1 4.31Å; F40-V123 HydrophobicContact CG-CB 4.35Å; F40-V123 HydrophobicContact CG-CG1 4.36Å; F40-V123 HydrophobicContact CG-CG2 4.34Å; F40-V123 HydrophobicContact CZ-CG1 4.32Å; F40-L125 HydrophobicContact CE1-CD1 4.44Å; F40-L125 HydrophobicContact CZ-CD1 3.78Å; F40-L125 HydrophobicContact CZ-CG 4.24Å; F40-L134 HydrophobicContact CD2-CD2 3.43Å; F40-L134 VanDerWaalsContact CD2-CD2 3.43Å; F40-L134 HydrophobicContact CE2-CB 4.24Å; F40-L134 HydrophobicContact CE2-CD2 3.57Å; F40-L134 HydrophobicContact CE2-CG 4.41Å; F40-V136 HydrophobicContact CB-CG2 4.09Å; F40-V136 HydrophobicContact CD2-CG2 4.26Å; F40-V136 WeakPolarHBondContact O-CG1 3.25Å
41A29.6Very low31.5Very low23 Ų2390.1 Ų90.119%0.1949%0.486CS..EExtended strand (participates in β ladder)trans-129.8120.7172.100000108.9I23 W146I23-A41 CarbonylContact C-O 3.53Å; I23-A41 WeakPolarHBondContact CA-O 3.37Å; I23-A41 WeakPolarHBondContact CB-O 3.39Å; I23-A41 PolarHBondContact N-O 3.17Å; I23-A41 PolarHBondContact O-N 3.18Å; A41-W146 HydrophobicContact CB-CH2 3.42Å; A41-W146 VanDerWaalsContact CB-CH2 3.42Å; A41-W146 HydrophobicContact CB-CZ2 4.01Å; A41-W146 HydrophobicContact CB-CZ3 4.42Å
42V32.1Very low31.6Very low57 Ų5795.3 Ų95.335%0.34550%0.499SS..EExtended strand (participates in β ladder)trans-84.4132.6175.6177.50000108.7V20 I22 L121V20-V42 HydrophobicContact CG1-CG1 4.3Å; I22-V42 HydrophobicContact CG1-CG1 4.48Å; I22-V42 HydrophobicContact CG1-CG2 4.28Å; I22-V42 HydrophobicContact CG2-CG2 4.22Å; V42-L121 HydrophobicContact CB-CD2 4.22Å; V42-L121 HydrophobicContact CG2-CD2 3.23Å
43R30.6Very low31.4Very low128 Ų12894.3 Ų94.348%0.48350%0.501SS..EExtended strand (participates in β ladder)trans-123.5119.9-179.9-162.7177.8178172.50.8109.5D21 I23D21-R43 WeakPolarHBondContact CB-O 3.39Å; D21-R43 CarbonylContact O-C 3.5Å; D21-R43 PolarHBondContact O-N 2.94Å; D21-R43 VanDerWaalsContact O-N 3.11Å; I23-R43 HydrophobicContact CD1-CB 3.93Å; I23-R43 HydrophobicContact CG1-CB 4.33Å
44H33.5Very low31.4Very low89 Ų8993 Ų9341%0.41249%0.491SS..PPolyproline II helixtrans-67144.9166.5-74-77.2000110.2
45P31.6Very low31.1Very low26 Ų2694 Ų9417%0.16949%0.49CS..PPolyproline II helixtrans-59.6142175.623.1-31.2000110.3G47 Q48P45-G47 PolarHBondContact O-N 3.28Å; P45-Q48 HydrophobicContact CG-CB 4.21Å; P45-Q48 HydrophobicContact CG-CG 4.17Å; P45-Q48 PolarHBondContact O-N 2.73Å; P45-Q48 VanDerWaalsContact O-N 3.11Å
46P36.3Very low31Very low123 Ų12388.3 Ų88.380%0.79947%0.472SS*.THydrogen-bonded Turntrans-57.7131-176.721.8-30.7000110.7
47G36.9Very low30.7Very low86 Ų8693 Ų9389%0.88750%0.498SS*.THydrogen-bonded Turntrans95.1-12.4-176.900000115.4P45P45-G47 PolarHBondContact O-N 3.28Å
48Q39Very low30.3Very low100 Ų10094.9 Ų94.947%0.46752%0.518SS..  trans-98.4110.3174.8-67.5-170.2-3.900110.9P45P45-Q48 HydrophobicContact CG-CB 4.21Å; P45-Q48 HydrophobicContact CG-CG 4.17Å; P45-Q48 PolarHBondContact O-N 2.73Å; P45-Q48 VanDerWaalsContact O-N 3.11Å
49R36.2Very low29.8Very low224 Ų22497.8 Ų97.885%0.84555%0.548SS*.  trans-62.6148.9159.9-75.7-176.7176.8177.1-0.2108.4K51R49-K51 PolarHBondContact O-N 3.11Å
50P39.5Very low29.5Very low102 Ų102101.9 Ų101.966%0.66258%0.576SS**  trans-62.788.517526.2-32.7000109.1Q52P50-Q52 PolarHBondContact O-N 3.43Å; P50-Q52 VanDerWaalsContact O-N 3.15Å
51K30.1Very low29.1Very low196 Ų196109.8 Ų109.885%0.85261%0.613SS**  trans-76.3101.1169.4-79.1-170.9176.4-176.10105.7R49R49-K51 PolarHBondContact O-N 3.11Å
52Q26.7Very low28.8Very low175 Ų175116.1 Ų116.182%0.81864%0.638SS**SBendtrans47100.2158.5-67.9175.4-26.500115.3P50P50-Q52 PolarHBondContact O-N 3.43Å; P50-Q52 VanDerWaalsContact O-N 3.15Å
53S24.4Very low28.4Very low90 Ų90120.3 Ų120.363%0.62965%0.654SS**  trans37.2102.5140.849.80000116.6L55S53-L55 PolarHBondContact O-N 3.38Å; S53-L55 VanDerWaalsContact O-N 3.12Å
54C26.5Very low28.2Very low53 Ų53120.8 Ų120.836%0.35867%0.67SS.*  trans-53.1124.1155.5-79.10000108.5F86C54-F86 HydrophobicContact CB-CD1 4.07Å; C54-F86 HydrophobicContact CB-CE1 3.3Å; C54-F86 HydrophobicContact CB-CZ 3.61Å; C54-F86 WeakPolarHBondContact O-CE1 3.27Å; C54-F86 WeakPolarHBondContact O-CZ 3.33Å
55L23.8Very low27.6Very low128 Ų128120 Ų12067%0.6768%0.679SS**  trans-104.3111.1164.2-174.694.1000104.9S53S53-L55 PolarHBondContact O-N 3.38Å; S53-L55 VanDerWaalsContact O-N 3.12Å
56I25.8Very low27.3Very low65 Ų65126.1 Ų126.133%0.33371%0.711SS.*  trans-139.2134.5168.3-49.4-178.9000109.2C15 F86C15-I56 HydrophobicContact CB-CD1 4.19Å; I56-F86 HydrophobicContact CB-CD1 3.67Å; I56-F86 HydrophobicContact CB-CE1 4.02Å; I56-F86 HydrophobicContact CD1-CD1 3.95Å; I56-F86 HydrophobicContact CG1-CD1 3.77Å; I56-F86 HydrophobicContact CG1-CE1 4Å
57V21.2Very low26.7Very low121 Ų121125.4 Ų125.473%0.73371%0.708SS**  trans-74.9143-162.5176.30000111.5
58A20.8Very low26.2Very low98 Ų98129.5 Ų129.581%0.8171%0.71SS**  trans-66128.7170.200000110.2
59A20.8Very low25.7Very low91 Ų91128.5 Ų128.575%0.75271%0.714SS**  trans-128.1120162.800000109
60D22.2Very low25.2Very low157 Ų157121.7 Ų121.784%0.8471%0.713SS**  trans69108.7170.9-106.9-17.4000121.5
61Q23.5Very low24.6Very low174 Ų174124.9 Ų124.981%0.81371%0.712SS**  trans-72.5114.6160.6-62.4171.4-21.100107.5
62H23Very low24.7Very low155 Ų155117.4 Ų117.472%0.71868%0.684SS**  trans-162.2118.2144.9-90.2-60.3000108.1
63H24.7Very low24.7Very low146 Ų146115.4 Ų115.468%0.67668%0.678SS**  trans68.859.2171.6-53.4-59.5000117.9A65H63-A65 PolarHBondContact O-N 3.33Å; H63-A65 VanDerWaalsContact O-N 3.16Å
64V25.5Very low24.7Very low137 Ų137115.7 Ų115.783%0.8369%0.686SS**  trans-80.867146-172.30000107.8
65A21.8Very low24.7Very low73 Ų73116.7 Ų116.760%0.60370%0.698SS**  trans-163.372.1167.900000106.2H63H63-A65 PolarHBondContact O-N 3.33Å; H63-A65 VanDerWaalsContact O-N 3.16Å
66D24.9Very low24.9Very low155 Ų155113.1 Ų113.183%0.82968%0.679SS**  trans-122.183.7153.4-121.3-8.5000105.8D68D66-D68 PolarHBondContact O-N 3.4Å; D66-D68 VanDerWaalsContact O-N 3.1Å
67S23.1Very low24.9Very low107 Ų107120.7 Ų120.775%0.74870%0.703SS**THydrogen-bonded Turntrans-68.491.2172550000108.7
68D26.8Very low25.2Very low173 Ų173120.9 Ų120.993%0.92571%0.707SS**THydrogen-bonded Turntrans-1454151-93.4-21.8000112D66D66-D68 PolarHBondContact O-N 3.4Å; D66-D68 VanDerWaalsContact O-N 3.1Å
69S29Very low25.8Very low78 Ų78119 Ų11955%0.54568%0.683SS.*  trans-126.8106.9170.467.90000108.3W71S69-W71 PolarHBondContact O-N 2.85Å
70G25.2Very low26.4Very low81 Ų81124.3 Ų124.384%0.83569%0.692SS**  trans-6540.7167.200000112.8
71W27.3Very low27.2Very low169 Ų169125 Ų12564%0.6469%0.688SS**  trans-93.7148-178.8-84.373.3000110.5S69 L73S69-W71 PolarHBondContact O-N 2.85Å; W71-L73 PolarHBondContact O-N 2.76Å
72P30.9Very low27.9Very low39 Ų39124.4 Ų124.425%0.25369%0.689SS.*SBend-98.184.7-108.532.4-34000110.5A75 I76 Q135P72-A75 HydrophobicContact CB-CB 3.89Å; P72-I76 WeakPolarHBondContact O-CD1 3.38Å; P72-I76 WeakPolarHBondContact O-CG1 3.47Å; P72-Q135 VanDerWaalsContact CG-OE1 3.31Å
73L26.9Very low28.8Very low134 Ų134119 Ų11970%0.70267%0.668SS**SBendtrans-73.8-22.8142.8-76.1162.7000110.5W71 I76W71-L73 PolarHBondContact O-N 2.76Å; L73-I76 HydrophobicContact CD2-CD1 4.18Å; L73-I76 PolarHBondContact O-N 3.07Å
74A25.2Very low29.7Very low96 Ų96116.6 Ų116.679%0.79366%0.656SS**THydrogen-bonded Turntrans-75.3-23.2-176.500000115.5I76A74-I76 VanDerWaalsContact C-N 3.29Å
75A25.6Very low30.5Very low73 Ų73114.3 Ų114.360%0.60364%0.638SS**THydrogen-bonded Turntrans-87.1-2.1177.400000113.3P72 R77P72-A75 HydrophobicContact CB-CB 3.89Å; A75-R77 PolarHBondContact O-N 2.75Å; A75-R77 VanDerWaalsContact O-N 3.16Å
76I27.8Very low31.6Very low53 Ų53112.1 Ų112.127%0.27262%0.615SS.*  trans-87.588.2-178.2-53.1-176.1000107.2P72 L73 A74 L79P72-I76 WeakPolarHBondContact O-CD1 3.38Å; P72-I76 WeakPolarHBondContact O-CG1 3.47Å; L73-I76 HydrophobicContact CD2-CD1 4.18Å; L73-I76 PolarHBondContact O-N 3.07Å; A74-I76 VanDerWaalsContact C-N 3.29Å; I76-L79 HydrophobicContact CD1-CD1 4.41Å; I76-L79 HydrophobicContact CG2-CB 4.23Å; I76-L79 HydrophobicContact CG2-CD1 3.19Å; I76-L79 HydrophobicContact CG2-CD2 4.22Å; I76-L79 HydrophobicContact CG2-CG 3.23Å
77R25.6Very low32.6Very low225 Ų225110.7 Ų110.785%0.84960%0.598SS**  trans-42137.6156.2-75.2-174.8-178.3-176.50.7107.3A75 L79A75-R77 PolarHBondContact O-N 2.75Å; A75-R77 VanDerWaalsContact O-N 3.16Å; R77-L79 PolarHBondContact O-N 3.31Å
78P28.1Very low33.5Very low124 Ų124106.6 Ų106.681%0.80557%0.57SS**  trans-52.2105.9-163.522.1-32.6000108.9Q80P78-Q80 PolarHBondContact O-N 2.73Å; P78-Q80 VanDerWaalsContact O-N 3.1Å
79L33.2Very low34Very low60 Ų60102.4 Ų102.431%0.31455%0.545SS..  trans-63.3121.3177.2-71159.8000105.1I76 R77 K81 P83 V116I76-L79 HydrophobicContact CD1-CD1 4.41Å; I76-L79 HydrophobicContact CG2-CB 4.23Å; I76-L79 HydrophobicContact CG2-CD1 3.19Å; I76-L79 HydrophobicContact CG2-CD2 4.22Å; I76-L79 HydrophobicContact CG2-CG 3.23Å; R77-L79 PolarHBondContact O-N 3.31Å; L79-K81 WeakPolarHBondContact CB-O 3.15Å; L79-K81 PolarHBondContact O-N 2.98Å; L79-P83 HydrophobicContact CD1-CG 4.48Å; L79-V116 HydrophobicContact CD1-CB 4.35Å; L79-V116 HydrophobicContact CD1-CG1 3.44Å; L79-V116 VanDerWaalsContact CD1-CG1 3.44Å; L79-V116 HydrophobicContact CD1-CG2 4.36Å; L79-V116 HydrophobicContact CD2-CG1 3.47Å; L79-V116 VanDerWaalsContact CD2-CG1 3.47Å; L79-V116 HydrophobicContact CG-CG1 4.03Å
80Q34Very low34.4Very low201 Ų20199.3 Ų99.394%0.93952%0.524SS*.SBendtrans-59.1-11.7173.4-70.6-177.7-22.600112.2P78P78-Q80 PolarHBondContact O-N 2.73Å; P78-Q80 VanDerWaalsContact O-N 3.1Å
81K38.4Very low34.8Very low171 Ų17198.5 Ų98.574%0.74351%0.506SS*.SBendtrans-135.8130.7174.7-67.4-179.3-179.2173.90110.5L79L79-K81 WeakPolarHBondContact CB-O 3.15Å; L79-K81 PolarHBondContact O-N 2.98Å
82L39.7Very low35.3Very low163 Ų16392.3 Ų92.385%0.85349%0.488SS*.PPolyproline II helixtrans-54.2138.1176.7-77.3160000111.4
83P40.8Very low35.5Very low42 Ų4297.5 Ų97.527%0.27351%0.51SS..PPolyproline II helixtrans-65.1141.5177.624.9-31.1000111.6L79 I114 Y115 V116L79-P83 HydrophobicContact CD1-CG 4.48Å; P83-I114 HydrophobicContact CB-CG2 4.02Å; P83-Y115 CarbonylContact C-O 3.24Å; P83-Y115 VanDerWaalsContact CA-O 3.24Å; P83-Y115 WeakPolarHBondContact CA-O 3.04Å; P83-Y115 WeakPolarHBondContact CB-O 2.86Å; P83-V116 HydrophobicContact CB-CG2 3.88Å
84K44.6Very low35.7Very low94 Ų9493.1 Ų93.141%0.40949%0.494SS..EExtended strand (participates in β ladder)trans-92.2129.7175.5-65.9-179.6178.2-179.50109.3F86 I114 Y115K84-F86 HydrophobicContact CB-CE2 4.06Å; K84-F86 HydrophobicContact CB-CZ 4.11Å; K84-I114 CarbonylContact O-C 3.49Å; K84-I114 WeakPolarHBondContact O-CA 3.27Å; K84-Y115 PolarHBondContact N-O 3.14Å; K84-Y115 PolarHBondContact O-N 3.46Å
85I42.4Very low36.1Very low90 Ų9088.8 Ų88.846%0.46246%0.457SS..EExtended strand (participates in β ladder)trans-115.8125.5-176.3-54.8178000109.2Y112 I113 I114I85-Y112 HydrophobicContact CG2-CD1 4.33Å; I85-I113 CarbonylContact C-O 3.46Å; I85-I114 HydrophobicContact CG1-CG1 4.14Å; I85-I114 HydrophobicContact CG1-CG2 4.09Å; I85-I114 HydrophobicContact CG2-CG1 4.13Å
86F44.1Very low36.5Very low27 Ų2789.3 Ų89.312%0.11845%0.447CS..EExtended strand (participates in β ladder)trans-111.4128.4177.1-53-87.5000109.1C54 I56 K84 Y112 I113C54-F86 HydrophobicContact CB-CD1 4.07Å; C54-F86 HydrophobicContact CB-CE1 3.3Å; C54-F86 HydrophobicContact CB-CZ 3.61Å; C54-F86 WeakPolarHBondContact O-CE1 3.27Å; C54-F86 WeakPolarHBondContact O-CZ 3.33Å; I56-F86 HydrophobicContact CB-CD1 3.67Å; I56-F86 HydrophobicContact CB-CE1 4.02Å; I56-F86 HydrophobicContact CD1-CD1 3.95Å; I56-F86 HydrophobicContact CG1-CD1 3.77Å; I56-F86 HydrophobicContact CG1-CE1 4Å; K84-F86 HydrophobicContact CB-CE2 4.06Å; K84-F86 HydrophobicContact CB-CZ 4.11Å; F86-Y112 CarbonylContact O-C 3.59Å; F86-Y112 VanDerWaalsContact O-CA 3.27Å; F86-Y112 WeakPolarHBondContact O-CA 3.42Å; F86-I113 HydrophobicContact CB-CB 4.26Å; F86-I113 HydrophobicContact CD2-CB 4.46Å; F86-I113 WeakPolarHBondContact CD2-O 3.33Å; F86-I113 PolarHBondContact N-O 2.78Å; F86-I113 PolarHBondContact O-N 2.92Å
87R45.9Very low36.8Very low124 Ų12494.8 Ų94.847%0.46847%0.471SS..EExtended strand (participates in β ladder)trans-107.5129.7170.1-178.8179.1171.4-179.2-0.9109.3E89 S110 V111 Y112R87-E89 IonicContact CZ-OE1 3.46Å; R87-E89 IonicContact NE-OE1 3.67Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 2.97Å; R87-S110 PolarHBondContact NE-OG 2.97Å; R87-S110 PolarHBondContact NH2-OG 2.83Å; R87-V111 WeakPolarHBondContact CA-O 3.22Å; R87-Y112 HydrophobicContact CB-CD1 4.24Å; R87-Y112 HydrophobicContact CB-CE1 4.26Å; R87-Y112 HydrophobicContact CG-CD1 4.41Å; R87-Y112 HydrophobicContact CG-CE1 4.11Å
88A41.1Very low37Very low21 Ų2184.8 Ų84.817%0.17444%0.436CS..EExtended strand (participates in β ladder)trans-127.7128.916900000109.7F13 V111F13-A88 HydrophobicContact CD1-CB 3.35Å; F13-A88 HydrophobicContact CE1-CB 3.35Å; F13-A88 HydrophobicContact CG-CB 4.37Å; F13-A88 HydrophobicContact CZ-CB 4.37Å; A88-V111 PolarHBondContact N-O 2.78Å; A88-V111 PolarHBondContact O-N 2.97Å
89E37.4Very low37.5Very low86 Ų8679 Ų7940%0.40240%0.398SS..EExtended strand (participates in β ladder)trans-92.1118.2171.2-63-165.8165.800108.1R87 R108R87-E89 IonicContact CZ-OE1 3.46Å; R87-E89 IonicContact NE-OE1 3.67Å; R87-E89 IonicContact NH2-OE1 2.69Å; R87-E89 PolarHBondContact NH2-OE1 2.97Å; E89-R108 WeakPolarHBondContact OE2-CD 3.38Å; E89-R108 IonicContact OE2-CZ 3.79Å; E89-R108 IonicContact OE2-NE 3.95Å; E89-R108 IonicContact OE2-NH1 2.92Å; E89-R108 PolarHBondContact OE2-NH1 3.49Å
90A38.6Very low37.6Very low12 Ų1278.5 Ų78.510%0.09940%0.4CS..EExtended strand (participates in β ladder)trans-96.4140.3171.800000109.7F13 L95F13-A90 HydrophobicContact CE1-CB 4.13Å; F13-A90 HydrophobicContact CZ-CB 4.42Å; A90-L95 HydrophobicContact CB-CD1 3.61Å; A90-L95 HydrophobicContact CB-CD2 4.17Å; A90-L95 HydrophobicContact CB-CG 3.68Å
91S33.4Very low37.7Very low65 Ų6572.8 Ų72.846%0.45537%0.374SS..PPolyproline II helixtrans-62143.2177.798.80000109.4M93 A94 L95S91-M93 PolarHBondContact O-N 2.89Å; S91-M93 VanDerWaalsContact O-N 3.1Å; S91-M93 PolarHBondContact OG-N 2.93Å; S91-A94 PolarHBondContact O-N 3.39Å; S91-A94 PolarHBondContact OG-N 2.98Å; S91-L95 PolarHBondContact O-N 2.87Å; S91-L95 VanDerWaalsContact O-N 3.16Å
92P37.4Very low37.8Very low39 Ų3965.5 Ų65.525%0.25334%0.344SS..Hα-helixtrans-54.3-33.2179.4-25.333.1000112.7H96P92-H96 VanDerWaalsContact O-CB 3.25Å; P92-H96 WeakPolarHBondContact O-CB 3.43Å; P92-H96 PolarHBondContact O-N 2.76Å
93M35Very low37.5Very low147 Ų14759.4 Ų59.472%0.72432%0.32SS*.Hα-helixtrans-66.2-44.3175.6-89.8-178.566.900113S91 L95 H96 Q97S91-M93 PolarHBondContact O-N 2.89Å; S91-M93 VanDerWaalsContact O-N 3.1Å; S91-M93 PolarHBondContact OG-N 2.93Å; M93-L95 VanDerWaalsContact C-N 3.25Å; M93-L95 PolarHBondContact O-N 2.82Å; M93-H96 PolarHBondContact O-N 3.34Å; M93-Q97 PolarHBondContact O-N 2.91Å
94A32.1Very low37.3Very low43 Ų4359.6 Ų59.636%0.35532%0.322SS..Hα-helixtrans-63.9-35.7179.700000111.5S91 S98S91-A94 PolarHBondContact O-N 3.39Å; S91-A94 PolarHBondContact OG-N 2.98Å; A94-S98 PolarHBondContact O-OG 3.22Å
95L33.6Very low37Very low4 Ų462.1 Ų62.12%0.02134%0.339CS..Hα-helixtrans-80.3-29.4174.8-70.6167.4000112.6V11 A90 S91 M93 Q97 S98 L99 I109V11-L95 HydrophobicContact CG2-CD2 4.3Å; A90-L95 HydrophobicContact CB-CD1 3.61Å; A90-L95 HydrophobicContact CB-CD2 4.17Å; A90-L95 HydrophobicContact CB-CG 3.68Å; S91-L95 PolarHBondContact O-N 2.87Å; S91-L95 VanDerWaalsContact O-N 3.16Å; M93-L95 VanDerWaalsContact C-N 3.25Å; M93-L95 PolarHBondContact O-N 2.82Å; L95-Q97 PolarHBondContact O-N 2.8Å; L95-S98 CarbonylContact O-C 3.49Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-S98 VanDerWaalsContact O-N 3.07Å; L95-L99 HydrophobicContact CD2-CD1 3.72Å; L95-L99 CarbonylContact O-C 3.46Å; L95-L99 VanDerWaalsContact O-CA 3.28Å; L95-L99 WeakPolarHBondContact O-CA 3.21Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 PolarHBondContact O-N 2.83Å; L95-I109 HydrophobicContact CB-CD1 4.22Å; L95-I109 HydrophobicContact CD1-CB 3.44Å; L95-I109 VanDerWaalsContact CD1-CB 3.44Å; L95-I109 HydrophobicContact CD1-CD1 3.54Å; L95-I109 HydrophobicContact CD1-CG1 4.05Å; L95-I109 HydrophobicContact CD1-CG2 3.79Å
96H33Very low36.6Very low84 Ų8460.8 Ų60.839%0.38935%0.347SS..Hα-helixtrans-66.7-36.5179.3-165.6-36000112.4P92 M93 S98P92-H96 VanDerWaalsContact O-CB 3.25Å; P92-H96 WeakPolarHBondContact O-CB 3.43Å; P92-H96 PolarHBondContact O-N 2.76Å; M93-H96 PolarHBondContact O-N 3.34Å; H96-S98 PolarHBondContact O-N 3.16Å
97Q33.7Very low36.5Very low168 Ų16865.2 Ų65.279%0.78537%0.366SS*.THydrogen-bonded Turntrans-65.3-25173.6-71.6-178.5-19.300112.5M93 L95M93-Q97 PolarHBondContact O-N 2.91Å; L95-Q97 PolarHBondContact O-N 2.8Å
98S31Very low36.2Very low15 Ų1567.6 Ų67.611%0.10538%0.375CS..THydrogen-bonded Turntrans-103.3-33.1-171.1-69.50000113S9 A94 L95 H96S9-S98 WeakPolarHBondContact CB-O 3.19Å; S9-S98 WeakPolarHBondContact OG-CA 3.34Å; S9-S98 PolarHBondContact OG-O 2.89Å; A94-S98 PolarHBondContact O-OG 3.22Å; L95-S98 CarbonylContact O-C 3.49Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-S98 VanDerWaalsContact O-N 3.07Å; H96-S98 PolarHBondContact O-N 3.16Å
99L37.4Very low36.4Very low4 Ų467 Ų672%0.02137%0.369CS..  trans-147.963.1-161.8-66175.3000107.6V24 T26 W38 L95 I101 L102 G103V24-L99 HydrophobicContact CB-CD1 4.47Å; V24-L99 HydrophobicContact CG1-CD1 3.84Å; V24-L99 HydrophobicContact CG1-CD2 3.81Å; V24-L99 HydrophobicContact CG1-CG 4.34Å; T26-L99 HydrophobicContact CG2-CD2 4.34Å; T26-L99 WeakPolarHBondContact OG1-CD2 3.24Å; W38-L99 HydrophobicContact CZ3-CD2 3.96Å; L95-L99 HydrophobicContact CD2-CD1 3.72Å; L95-L99 CarbonylContact O-C 3.46Å; L95-L99 VanDerWaalsContact O-CA 3.28Å; L95-L99 WeakPolarHBondContact O-CA 3.21Å; L95-L99 WeakPolarHBondContact O-CB 3.47Å; L95-L99 PolarHBondContact O-N 2.83Å; L99-I101 PolarHBondContact O-N 2.82Å; L99-L102 HydrophobicContact CB-CB 4.14Å; L99-L102 HydrophobicContact CB-CD1 4Å; L99-L102 HydrophobicContact CB-CG 4.11Å; L99-L102 HydrophobicContact CD1-CD1 3.5Å; L99-L102 VanDerWaalsContact CD1-CD1 3.5Å; L99-L102 HydrophobicContact CD1-CG 4.44Å; L99-L102 HydrophobicContact CG-CD1 4.27Å; L99-L102 PolarHBondContact O-N 3.33Å; L99-G103 PolarHBondContact O-N 3.49Å
100S35.9Very low36.8Very low49 Ų4963.2 Ų63.234%0.34335%0.352SS..THydrogen-bonded Turntrans-50.8-27.717648.50000112.5G103S100-G103 WeakPolarHBondContact O-CA 2.82Å; S100-G103 PolarHBondContact O-N 3.14Å; S100-G103 VanDerWaalsContact O-N 3.14Å
101I36.2Very low37.2Very low80 Ų8063.1 Ų63.141%0.4135%0.35SS..THydrogen-bonded Turntrans-73.6-30.8176.1-66.4162.1000113.5T26 W38 L99T26-I101 HydrophobicContact CG2-CD1 4.31Å; W38-I101 HydrophobicContact CH2-CG2 4.39Å; W38-I101 HydrophobicContact CZ2-CG2 4.39Å; L99-I101 PolarHBondContact O-N 2.82Å
102L40.3Very low37.8Very low19 Ų1961.7 Ų61.710%0.09934%0.335CS..THydrogen-bonded Turntrans-79.4-11.2169.5-61.7178.3000111.5W38 L99 S104 I109 L125 K127W38-L102 HydrophobicContact CH2-CD1 4.13Å; W38-L102 HydrophobicContact CH2-CD2 3.5Å; W38-L102 VanDerWaalsContact CH2-CD2 3.5Å; W38-L102 HydrophobicContact CH2-CG 3.6Å; W38-L102 HydrophobicContact CZ2-CD2 4.14Å; W38-L102 HydrophobicContact CZ3-CD1 3.95Å; W38-L102 HydrophobicContact CZ3-CD2 4.11Å; W38-L102 HydrophobicContact CZ3-CG 3.94Å; L99-L102 HydrophobicContact CB-CB 4.14Å; L99-L102 HydrophobicContact CB-CD1 4Å; L99-L102 HydrophobicContact CB-CG 4.11Å; L99-L102 HydrophobicContact CD1-CD1 3.5Å; L99-L102 VanDerWaalsContact CD1-CD1 3.5Å; L99-L102 HydrophobicContact CD1-CG 4.44Å; L99-L102 HydrophobicContact CG-CD1 4.27Å; L99-L102 PolarHBondContact O-N 3.33Å; L102-S104 PolarHBondContact O-N 2.78Å; L102-I109 HydrophobicContact CB-CD1 3.61Å; L102-I109 HydrophobicContact CD1-CD1 4.25Å; L102-I109 HydrophobicContact CD1-CG2 4.41Å; L102-L125 HydrophobicContact CD1-CD1 3.89Å; L102-K127 WeakPolarHBondContact O-CE 3.28Å; L102-K127 PolarHBondContact O-NZ 3.2Å
103G34.2Very low38.4Very low35 Ų3560.9 Ų60.936%0.36133%0.328SS..  trans-64.789.4178.600000113.2L99 S100L99-G103 PolarHBondContact O-N 3.49Å; S100-G103 WeakPolarHBondContact O-CA 2.82Å; S100-G103 PolarHBondContact O-N 3.14Å; S100-G103 VanDerWaalsContact O-N 3.14Å
104S36.5Very low38.9Very low45 Ų4555.2 Ų55.232%0.31530%0.301SS..  trans-106.3114.8137.552.70000106L102 G106 K127L102-S104 PolarHBondContact O-N 2.78Å; S104-G106 PolarHBondContact O-N 3.38Å; S104-K127 WeakPolarHBondContact OG-CE 3.08Å; S104-K127 PolarHBondContact OG-NZ 2.6Å
105I37.3Very low39.5Very low148 Ų14856.4 Ų56.476%0.75930%0.297SS*.THydrogen-bonded Turntrans-48.8127.1179.7-63.7166000109.2
106G35.4Very low39.9Very low61 Ų6157.2 Ų57.263%0.62930%0.302SS*.THydrogen-bonded Turntrans105.1-6168.400000118.2S104S104-G106 PolarHBondContact O-N 3.38Å
107K40.9Very low40.4Very low120 Ų12054.7 Ų54.752%0.52230%0.298SS..  trans-117.5134.6179.3-59.1-145.4-167178.20113.5
108R40.9Very low40.8Very low175 Ų17552.6 Ų52.666%0.6629%0.292SS*.  trans-63.9136.3-179.4-63.4-172.9-176.3-177.65.2110E89E89-R108 WeakPolarHBondContact OE2-CD 3.38Å; E89-R108 IonicContact OE2-CZ 3.79Å; E89-R108 IonicContact OE2-NE 3.95Å; E89-R108 IonicContact OE2-NH1 2.92Å; E89-R108 PolarHBondContact OE2-NH1 3.49Å
109I44.5Very low41.1Very low7 Ų754.9 Ų54.94%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-109.8121.9173.5-67.1156.1000106.1L95 L102 V111 L125 K127L95-I109 HydrophobicContact CB-CD1 4.22Å; L95-I109 HydrophobicContact CD1-CB 3.44Å; L95-I109 VanDerWaalsContact CD1-CB 3.44Å; L95-I109 HydrophobicContact CD1-CD1 3.54Å; L95-I109 HydrophobicContact CD1-CG1 4.05Å; L95-I109 HydrophobicContact CD1-CG2 3.79Å; L102-I109 HydrophobicContact CB-CD1 3.61Å; L102-I109 HydrophobicContact CD1-CD1 4.25Å; L102-I109 HydrophobicContact CD1-CG2 4.41Å; I109-V111 HydrophobicContact CG2-CG2 4.49Å; I109-L125 HydrophobicContact CG2-CD2 4.42Å; I109-K127 HydrophobicContact CG1-CG 4.36Å
110S45.3Very low41.2Very low8 Ų859.8 Ų59.86%0.05632%0.324CS..EExtended strand (participates in β ladder)trans-93.2126177-62.80000108.7R87 E126R87-S110 PolarHBondContact NE-OG 2.97Å; R87-S110 PolarHBondContact NH2-OG 2.83Å; S110-E126 PolarHBondContact N-O 2.99Å; S110-E126 VanDerWaalsContact N-O 3.08Å; S110-E126 PolarHBondContact O-N 2.98Å
111V46.8Very low41.7Very low9 Ų958.5 Ų58.56%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-105.7120.8174.6-172.20000107.9F13 R87 A88 I109 I113 V123 I124 L125F13-V111 HydrophobicContact CZ-CB 4.25Å; F13-V111 HydrophobicContact CZ-CG2 4.04Å; R87-V111 WeakPolarHBondContact CA-O 3.22Å; A88-V111 PolarHBondContact N-O 2.78Å; A88-V111 PolarHBondContact O-N 2.97Å; I109-V111 HydrophobicContact CG2-CG2 4.49Å; V111-I113 HydrophobicContact CG1-CG1 4.28Å; V111-V123 HydrophobicContact CG1-CG1 3.83Å; V111-I124 CarbonylContact C-O 3.51Å; V111-I124 WeakPolarHBondContact CA-O 3.43Å; V111-L125 HydrophobicContact CB-CD2 4.17Å; V111-L125 HydrophobicContact CG1-CD2 3.97Å; V111-L125 HydrophobicContact CG2-CD2 3.61Å
112Y46.5Very low42.1Very low35 Ų3555.8 Ų55.814%0.13730%0.302CS..EExtended strand (participates in β ladder)trans-102.2130.7171.7-55.2-101.3000108.6I85 F86 R87 V123 I124 E126I85-Y112 HydrophobicContact CG2-CD1 4.33Å; F86-Y112 CarbonylContact O-C 3.59Å; F86-Y112 VanDerWaalsContact O-CA 3.27Å; F86-Y112 WeakPolarHBondContact O-CA 3.42Å; R87-Y112 HydrophobicContact CB-CD1 4.24Å; R87-Y112 HydrophobicContact CB-CE1 4.26Å; R87-Y112 HydrophobicContact CG-CD1 4.41Å; R87-Y112 HydrophobicContact CG-CE1 4.11Å; Y112-V123 CarbonylContact O-C 3.46Å; Y112-V123 VanDerWaalsContact O-CA 3.22Å; Y112-V123 WeakPolarHBondContact O-CA 3.43Å; Y112-I124 HydrophobicContact CD2-CB 4.13Å; Y112-I124 HydrophobicContact CD2-CG2 4.34Å; Y112-I124 HydrophobicContact CG-CB 4.4Å; Y112-I124 PolarHBondContact N-O 3.11Å; Y112-I124 PolarHBondContact O-N 3.4Å; Y112-E126 HydrophobicContact CE2-CB 3.86Å; Y112-E126 PolarHBondContact OH-OE2 2.87Å
113I49.8Very low42.5Very low22 Ų2255 Ų5511%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-117.3118.3175.6-57.6160.8000105.9I22 I85 F86 V111 L121 S122I22-I113 HydrophobicContact CD1-CD1 3.19Å; I22-I113 HydrophobicContact CD1-CG1 4.3Å; I85-I113 CarbonylContact C-O 3.46Å; F86-I113 HydrophobicContact CB-CB 4.26Å; F86-I113 HydrophobicContact CD2-CB 4.46Å; F86-I113 WeakPolarHBondContact CD2-O 3.33Å; F86-I113 PolarHBondContact N-O 2.78Å; F86-I113 PolarHBondContact O-N 2.92Å; V111-I113 HydrophobicContact CG1-CG1 4.28Å; I113-L121 HydrophobicContact CG2-CD1 3.28Å; I113-L121 HydrophobicContact CG2-CD2 4.19Å; I113-L121 HydrophobicContact CG2-CG 3.86Å; I113-S122 CarbonylContact C-O 3.55Å; I113-S122 WeakPolarHBondContact CA-O 3.43Å
114I44.9Very low43.1Very low28 Ų2855.1 Ų55.114%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-112.1113.7-174.6-53.9172.8000107.3P83 K84 I85 V116 L121 S122 I124P83-I114 HydrophobicContact CB-CG2 4.02Å; K84-I114 CarbonylContact O-C 3.49Å; K84-I114 WeakPolarHBondContact O-CA 3.27Å; I85-I114 HydrophobicContact CG1-CG1 4.14Å; I85-I114 HydrophobicContact CG1-CG2 4.09Å; I85-I114 HydrophobicContact CG2-CG1 4.13Å; I114-V116 HydrophobicContact CG2-CG2 4.08Å; I114-L121 CarbonylContact O-C 3.54Å; I114-L121 WeakPolarHBondContact O-CA 3.47Å; I114-S122 PolarHBondContact N-O 2.96Å; I114-S122 PolarHBondContact O-N 3.34Å; I114-I124 HydrophobicContact CD1-CD1 3.58Å; I114-I124 HydrophobicContact CD1-CG1 4.05Å
115Y46Very low43.7Very low69 Ų6953.9 Ų53.927%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-92.6117.8177.2-169.2-94.7000109.5P83 K84 G117 D118 L121 I140P83-Y115 CarbonylContact C-O 3.24Å; P83-Y115 VanDerWaalsContact CA-O 3.24Å; P83-Y115 WeakPolarHBondContact CA-O 3.04Å; P83-Y115 WeakPolarHBondContact CB-O 2.86Å; K84-Y115 PolarHBondContact N-O 3.14Å; K84-Y115 PolarHBondContact O-N 3.46Å; Y115-G117 WeakPolarHBondContact CD1-O 2.97Å; Y115-G117 VanDerWaalsContact CE1-C 3.41Å; Y115-G117 WeakPolarHBondContact CE1-O 3.5Å; Y115-D118 WeakPolarHBondContact OH-CA 3.49Å; Y115-D118 PolarHBondContact OH-OD1 3.1Å; Y115-L121 HydrophobicContact CD2-CD1 4.41Å; Y115-I140 HydrophobicContact CD2-CD1 3.66Å; Y115-I140 HydrophobicContact CE2-CD1 3.33Å
116V42.1Very low44Very low21 Ų2148.5 Ų48.513%0.12725%0.251CS..EExtended strand (participates in β ladder)trans-113.387.6-178.4169.20000108.2L79 P83 I114 Y120L79-V116 HydrophobicContact CD1-CB 4.35Å; L79-V116 HydrophobicContact CD1-CG1 3.44Å; L79-V116 VanDerWaalsContact CD1-CG1 3.44Å; L79-V116 HydrophobicContact CD1-CG2 4.36Å; L79-V116 HydrophobicContact CD2-CG1 3.47Å; L79-V116 VanDerWaalsContact CD2-CG1 3.47Å; L79-V116 HydrophobicContact CG-CG1 4.03Å; P83-V116 HydrophobicContact CB-CG2 3.88Å; I114-V116 HydrophobicContact CG2-CG2 4.08Å; V116-Y120 HydrophobicContact CG1-CD2 4.5Å; V116-Y120 PolarHBondContact N-O 3.4Å; V116-Y120 PolarHBondContact O-N 3.07Å
117G42.4Very low44.6Very low30 Ų3047.9 Ų47.931%0.30923%0.231SC..G310 helixtrans58.5-162.3-17300000112.7Y115 T119Y115-G117 WeakPolarHBondContact CD1-O 2.97Å; Y115-G117 VanDerWaalsContact CE1-C 3.41Å; Y115-G117 WeakPolarHBondContact CE1-O 3.5Å; G117-T119 PolarHBondContact O-N 3.43Å; G117-T119 VanDerWaalsContact O-N 3.09Å
118D43.1Very low45.1Very low124 Ų12447.5 Ų47.566%0.66323%0.231SC*.G310 helixtrans-78.16.7-172.9-51.7-34.7000114.6Y115Y115-D118 WeakPolarHBondContact OH-CA 3.49Å; Y115-D118 PolarHBondContact OH-OD1 3.1Å
119T37Very low45.2Very low63 Ų6342 Ų4239%0.38723%0.228SC..G310 helixtrans-131.1-13.8-160.427.20000115.1G117 H138 P139G117-T119 PolarHBondContact O-N 3.43Å; G117-T119 VanDerWaalsContact O-N 3.09Å; T119-H138 CarbonylContact O-C 3.6Å; T119-H138 VanDerWaalsContact O-C 3.24Å; T119-P139 HydrophobicContact CG2-CB 4.44Å; T119-P139 WeakPolarHBondContact O-CA 3.09Å
120Y40.5Very low45Very low107 Ų10751.5 Ų51.542%0.4226%0.264SS..EExtended strand (participates in β ladder)trans-141.1136.2-170.4-64.5-79.3000112.2V116 N137V116-Y120 HydrophobicContact CG1-CD2 4.5Å; V116-Y120 PolarHBondContact N-O 3.4Å; V116-Y120 PolarHBondContact O-N 3.07Å; Y120-N137 HydrophobicContact CD1-CB 4.27Å; Y120-N137 HydrophobicContact CE1-CB 4.22Å
121L44.9Very low44.9Very low22 Ų2257.3 Ų57.312%0.11528%0.284CS..EExtended strand (participates in β ladder)trans-126.3113.5177.7-165.481.4000109.8V42 I113 I114 Y115 V123 V136 I140V42-L121 HydrophobicContact CB-CD2 4.22Å; V42-L121 HydrophobicContact CG2-CD2 3.23Å; I113-L121 HydrophobicContact CG2-CD1 3.28Å; I113-L121 HydrophobicContact CG2-CD2 4.19Å; I113-L121 HydrophobicContact CG2-CG 3.86Å; I114-L121 CarbonylContact O-C 3.54Å; I114-L121 WeakPolarHBondContact O-CA 3.47Å; Y115-L121 HydrophobicContact CD2-CD1 4.41Å; L121-V123 HydrophobicContact CD2-CG2 4.25Å; L121-V136 CarbonylContact O-C 3.48Å; L121-V136 WeakPolarHBondContact O-CB 3.4Å; L121-V136 PolarHBondContact O-N 3.32Å; L121-I140 HydrophobicContact CB-CD1 4.14Å; L121-I140 HydrophobicContact CD1-CD1 4.32Å
122S45.4Very low44.7Very low23 Ų2362.1 Ų62.116%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-98.3140.3168.9-1770000109.9I113 I114I113-S122 CarbonylContact C-O 3.55Å; I113-S122 WeakPolarHBondContact CA-O 3.43Å; I114-S122 PolarHBondContact N-O 2.96Å; I114-S122 PolarHBondContact O-N 3.34Å
123V47.7Very low44.3Very low3 Ų362.5 Ų62.52%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-119.4123.5176.5-179.40000108.3F40 V111 Y112 L121 L134F40-V123 HydrophobicContact CB-CG2 4.26Å; F40-V123 HydrophobicContact CD1-CG1 4.33Å; F40-V123 HydrophobicContact CD2-CB 4.13Å; F40-V123 HydrophobicContact CD2-CG1 4.32Å; F40-V123 HydrophobicContact CE1-CG1 4.27Å; F40-V123 HydrophobicContact CE2-CB 4.44Å; F40-V123 HydrophobicContact CE2-CG1 4.31Å; F40-V123 HydrophobicContact CG-CB 4.35Å; F40-V123 HydrophobicContact CG-CG1 4.36Å; F40-V123 HydrophobicContact CG-CG2 4.34Å; F40-V123 HydrophobicContact CZ-CG1 4.32Å; V111-V123 HydrophobicContact CG1-CG1 3.83Å; Y112-V123 CarbonylContact O-C 3.46Å; Y112-V123 VanDerWaalsContact O-CA 3.22Å; Y112-V123 WeakPolarHBondContact O-CA 3.43Å; L121-V123 HydrophobicContact CD2-CG2 4.25Å; V123-L134 PolarHBondContact N-O 3.03Å; V123-L134 CarbonylContact O-C 3.56Å; V123-L134 WeakPolarHBondContact O-CA 3.5Å; V123-L134 PolarHBondContact O-N 2.69Å
124I48.3Very low43.8Very low38 Ų3862.7 Ų62.720%0.19532%0.322CS..EExtended strand (participates in β ladder)trans-111.6130.1174.1-48.7-177.8000107.8V111 Y112 I114 R131V111-I124 CarbonylContact C-O 3.51Å; V111-I124 WeakPolarHBondContact CA-O 3.43Å; Y112-I124 HydrophobicContact CD2-CB 4.13Å; Y112-I124 HydrophobicContact CD2-CG2 4.34Å; Y112-I124 HydrophobicContact CG-CB 4.4Å; Y112-I124 PolarHBondContact N-O 3.11Å; Y112-I124 PolarHBondContact O-N 3.4Å; I114-I124 HydrophobicContact CD1-CD1 3.58Å; I114-I124 HydrophobicContact CD1-CG1 4.05Å; I124-R131 HydrophobicContact CG2-CB 4.17Å
125L48.6Very low43.5Very low18 Ų1865 Ų659%0.09433%0.332CS..EExtended strand (participates in β ladder)trans-102.5130.4169.6-63.8178.3000108.6W38 F40 L102 I109 V111 Q132W38-L125 HydrophobicContact CE3-CD1 4.04Å; W38-L125 HydrophobicContact CZ3-CD1 4.1Å; F40-L125 HydrophobicContact CE1-CD1 4.44Å; F40-L125 HydrophobicContact CZ-CD1 3.78Å; F40-L125 HydrophobicContact CZ-CG 4.24Å; L102-L125 HydrophobicContact CD1-CD1 3.89Å; I109-L125 HydrophobicContact CG2-CD2 4.42Å; V111-L125 HydrophobicContact CB-CD2 4.17Å; V111-L125 HydrophobicContact CG1-CD2 3.97Å; V111-L125 HydrophobicContact CG2-CD2 3.61Å; L125-Q132 PolarHBondContact N-O 3.23Å; L125-Q132 PolarHBondContact O-N 2.92Å
126E44.2Very low42.9Very low35 Ų3562.4 Ų62.416%0.16432%0.323CS..EExtended strand (participates in β ladder)trans-117127.8173.5-171.6179.6146.800110.4S110 Y112 R130 R131S110-E126 PolarHBondContact N-O 2.99Å; S110-E126 VanDerWaalsContact N-O 3.08Å; S110-E126 PolarHBondContact O-N 2.98Å; Y112-E126 HydrophobicContact CE2-CB 3.86Å; Y112-E126 PolarHBondContact OH-OE2 2.87Å; E126-R130 WeakPolarHBondContact CA-O 3.11Å; E126-R131 HydrophobicContact CB-CG 4.04Å; E126-R131 HydrophobicContact CG-CG 3.68Å; E126-R131 WeakPolarHBondContact OE2-CG 3.34Å; E126-R131 IonicContact OE2-CZ 3.57Å; E126-R131 IonicContact OE2-NE 2.78Å; E126-R131 PolarHBondContact OE2-NE 3.26Å; E126-R131 IonicContact OE2-NH2 3.46Å; E126-R131 PolarHBondContact OE2-NH2 3.48Å
127K47.4Very low42.7Very low48 Ų4865.8 Ų65.821%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-140.5128.4176.5-169.7-172.5171.1178.20108.5L102 S104 I109 G129 R130L102-K127 WeakPolarHBondContact O-CE 3.28Å; L102-K127 PolarHBondContact O-NZ 3.2Å; S104-K127 WeakPolarHBondContact OG-CE 3.08Å; S104-K127 PolarHBondContact OG-NZ 2.6Å; I109-K127 HydrophobicContact CG1-CG 4.36Å; K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 2.63Å; K127-R130 PolarHBondContact N-O 3.08Å; K127-R130 PolarHBondContact O-N 2.49Å; K127-R130 VanDerWaalsContact O-N 3.07Å; K127-R130 VanDerWaalsContact O-O 3.12Å
128H51.2Low42.3Very low113 Ų11368.9 Ų68.952%0.52335%0.347SS..THydrogen-bonded Turntrans58.434.6-178.4-53.6-70.9000115.1R130H128-R130 PolarHBondContact O-N 3.02Å
129G42.7Very low41.9Very low58 Ų5865.5 Ų65.560%0.59833%0.332SS*.THydrogen-bonded Turntrans68.7-2.2-174.700000114K127K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 2.63Å
130R40.9Very low41.8Very low207 Ų20765.9 Ų65.978%0.78133%0.331SS*.EExtended strand (participates in β ladder)trans-90.9121170.2-67.5-171.2176.9-173.7-1.3108.8E126 K127 H128E126-R130 WeakPolarHBondContact CA-O 3.11Å; K127-R130 PolarHBondContact N-O 3.08Å; K127-R130 PolarHBondContact O-N 2.49Å; K127-R130 VanDerWaalsContact O-N 3.07Å; K127-R130 VanDerWaalsContact O-O 3.12Å; H128-R130 PolarHBondContact O-N 3.02Å
131R43Very low41.1Very low130 Ų13064.4 Ų64.449%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-94.3129.8177.1-67.5175.3177.3155.16.4109.3I124 E126I124-R131 HydrophobicContact CG2-CB 4.17Å; E126-R131 HydrophobicContact CB-CG 4.04Å; E126-R131 HydrophobicContact CG-CG 3.68Å; E126-R131 WeakPolarHBondContact OE2-CG 3.34Å; E126-R131 IonicContact OE2-CZ 3.57Å; E126-R131 IonicContact OE2-NE 2.78Å; E126-R131 PolarHBondContact OE2-NE 3.26Å; E126-R131 IonicContact OE2-NH2 3.46Å; E126-R131 PolarHBondContact OE2-NH2 3.48Å
132Q41.7Very low40.5Very low111 Ų11171 Ų7152%0.51938%0.379SS..EExtended strand (participates in β ladder)trans-113.9107.5165.7-71.9-168.2-600108.1L125L125-Q132 PolarHBondContact N-O 3.23Å; L125-Q132 PolarHBondContact O-N 2.92Å
133G38.7Very low39.7Very low42 Ų4273.9 Ų73.943%0.43340%0.395SS..EExtended strand (participates in β ladder)trans-79.6132.6175.300000110.1
134L39.1Very low38.9Very low27 Ų2785.3 Ų85.314%0.14144%0.438CS..EExtended strand (participates in β ladder)trans-130110.6171.5-166112.5000110.7P37 W38 F40 V123 V136P37-L134 HydrophobicContact CB-CD1 4.2Å; W38-L134 VanDerWaalsContact C-CD2 3.49Å; W38-L134 HydrophobicContact CB-CD1 3.77Å; W38-L134 HydrophobicContact CB-CD2 4.13Å; W38-L134 HydrophobicContact CB-CG 4.42Å; W38-L134 HydrophobicContact CG-CD1 4.4Å; W38-L134 WeakPolarHBondContact O-CD1 3.37Å; W38-L134 WeakPolarHBondContact O-CD2 3.46Å; W38-L134 WeakPolarHBondContact O-CG 3.48Å; F40-L134 HydrophobicContact CD2-CD2 3.43Å; F40-L134 VanDerWaalsContact CD2-CD2 3.43Å; F40-L134 HydrophobicContact CE2-CB 4.24Å; F40-L134 HydrophobicContact CE2-CD2 3.57Å; F40-L134 HydrophobicContact CE2-CG 4.41Å; V123-L134 PolarHBondContact N-O 3.03Å; V123-L134 CarbonylContact O-C 3.56Å; V123-L134 WeakPolarHBondContact O-CA 3.5Å; V123-L134 PolarHBondContact O-N 2.69Å; L134-V136 HydrophobicContact CD2-CG2 3.79Å; L134-V136 PolarHBondContact O-N 3.07Å
135Q37.8Very low37.9Very low75 Ų7591.8 Ų91.835%0.3547%0.467SS..EExtended strand (participates in β ladder)trans-81.3114.1179.1-172.9176.87.500109.9P72 N137P72-Q135 VanDerWaalsContact CG-OE1 3.31Å; Q135-N137 WeakPolarHBondContact CG-OD1 3.46Å; Q135-N137 PolarHBondContact NE2-ND2 3.45Å; Q135-N137 PolarHBondContact NE2-OD1 3Å
136V35.2Very low37.1Very low15 Ų1597 Ų979%0.09149%0.486CS..EExtended strand (participates in β ladder)trans-97.196.8168-169.90000108F40 L121 L134 H138F40-V136 HydrophobicContact CB-CG2 4.09Å; F40-V136 HydrophobicContact CD2-CG2 4.26Å; F40-V136 WeakPolarHBondContact O-CG1 3.25Å; L121-V136 CarbonylContact O-C 3.48Å; L121-V136 WeakPolarHBondContact O-CB 3.4Å; L121-V136 PolarHBondContact O-N 3.32Å; L134-V136 HydrophobicContact CD2-CG2 3.79Å; L134-V136 PolarHBondContact O-N 3.07Å; V136-H138 HydrophobicContact CG1-CB 4.04Å; V136-H138 PolarHBondContact O-N 3.3Å
137N36.6Very low36.3Very low93 Ų9399.4 Ų99.450%0.49750%0.504SS..  trans-7677.9171.9-73.7-29.8000109.7Y120 Q135Y120-N137 HydrophobicContact CD1-CB 4.27Å; Y120-N137 HydrophobicContact CE1-CB 4.22Å; Q135-N137 WeakPolarHBondContact CG-OD1 3.46Å; Q135-N137 PolarHBondContact NE2-ND2 3.45Å; Q135-N137 PolarHBondContact NE2-OD1 3Å
138H34.9Very low35.3Very low95 Ų95107.3 Ų107.344%0.4453%0.532SS..  trans-123.3123.2174.7-115.4-55.9000111.9T119 V136 I140T119-H138 CarbonylContact O-C 3.6Å; T119-H138 VanDerWaalsContact O-C 3.24Å; V136-H138 HydrophobicContact CG1-CB 4.04Å; V136-H138 PolarHBondContact O-N 3.3Å; H138-I140 PolarHBondContact O-N 3.14Å; H138-I140 VanDerWaalsContact O-N 3.14Å
139P33.7Very low34.4Very low53 Ų53107.4 Ų107.434%0.34454%0.54SS..  trans-60.6114.4171.422-30000111.1T119 G141T119-P139 HydrophobicContact CG2-CB 4.44Å; T119-P139 WeakPolarHBondContact O-CA 3.09Å; P139-G141 PolarHBondContact O-N 3.21Å
140I34.6Very low33.6Very low71 Ų71112.7 Ų112.736%0.36455%0.549SS..THydrogen-bonded Turntrans-72.994.9177.6-55.3172.8000107.7Y115 L121 H138Y115-I140 HydrophobicContact CD2-CD1 3.66Å; Y115-I140 HydrophobicContact CE2-CD1 3.33Å; L121-I140 HydrophobicContact CB-CD1 4.14Å; L121-I140 HydrophobicContact CD1-CD1 4.32Å; H138-I140 PolarHBondContact O-N 3.14Å; H138-I140 VanDerWaalsContact O-N 3.14Å
141G27.4Very low32.8Very low76 Ų76107.8 Ų107.878%0.78454%0.538SS*.THydrogen-bonded Turntrans147.6-11.6174.500000117.2P139P139-G141 PolarHBondContact O-N 3.21Å
142Q31.3Very low31.9Very low161 Ų161112.9 Ų112.975%0.75256%0.558SS**  trans-1031.8-175.2-83.2-168.2-12.700116.3R144Q142-R144 VanDerWaalsContact C-N 3.34Å; Q142-R144 PolarHBondContact O-N 2.88Å
143V29.2Very low31.2Very low82 Ų82112.6 Ų112.650%0.49756%0.559SS.*  trans-80.883.1-179.8-167.90000110.2W146V143-W146 HydrophobicContact CG1-CG 4.15Å
144R29.3Very low30.7Very low244 Ų244116.4 Ų116.492%0.92157%0.574SS**SBendtrans-83.4-35.2166.8-76.5-171177-173.50.6111.9Q142Q142-R144 VanDerWaalsContact C-N 3.34Å; Q142-R144 PolarHBondContact O-N 2.88Å
145E28.3Very low30.1Very low174 Ų174118.4 Ų118.481%0.81359%0.587SS**SBendtrans-136.3131.6176.9-68.6-179.617000108.3
146W30.8Very low29.4Very low128 Ų128120.2 Ų120.249%0.48560%0.604SS.*PPolyproline II helixtrans-77.1136.7173.1-85.171000108.7A41 V143 R148A41-W146 HydrophobicContact CB-CH2 3.42Å; A41-W146 VanDerWaalsContact CB-CH2 3.42Å; A41-W146 HydrophobicContact CB-CZ2 4.01Å; A41-W146 HydrophobicContact CB-CZ3 4.42Å; V143-W146 HydrophobicContact CG1-CG 4.15Å; W146-R148 PolarHBondContact O-N 2.82Å
147P29Very low29Very low84 Ų84127.6 Ų127.655%0.54564%0.637SS.*PPolyproline II helixtrans-58.1135.5157.525.7-29.5000107.1V149 D151P147-V149 PolarHBondContact O-N 3.21Å; P147-D151 HydrophobicContact CB-CB 4.18Å
148R26.7Very low28.3Very low215 Ų215131.7 Ų131.781%0.81165%0.653SS**PPolyproline II helixtrans-52.9138.7176.1-69.3179.9179.91770.3106.6W146 H150 D151W146-R148 PolarHBondContact O-N 2.82Å; R148-H150 PolarHBondContact O-N 3.39Å; R148-D151 PolarHBondContact O-N 3.28Å
149V30.8Very low27.7Very low114 Ų114131.9 Ų131.969%0.69167%0.665SS**THydrogen-bonded Turntrans-51.6-6-174.8176.10000114.3I8 P147I8-V149 HydrophobicContact CD1-CG1 4.23Å; P147-V149 PolarHBondContact O-N 3.21Å
150H25.6Very low27.4Very low169 Ų169142.1 Ų142.178%0.78271%0.708SS**THydrogen-bonded Turntrans-88.1-10.9174.6-64.6-65.5000115.7R148 R152R148-H150 PolarHBondContact O-N 3.39Å; H150-R152 PolarHBondContact O-N 3.16Å; H150-R152 VanDerWaalsContact O-N 3.11Å
151D24.9Very low27Very low104 Ų104145.7 Ų145.756%0.55673%0.726SS**SBendtrans-79.8103.8177.8-66.7-31.7000109.5P147 R148 L153P147-D151 HydrophobicContact CB-CB 4.18Å; R148-D151 PolarHBondContact O-N 3.28Å; D151-L153 PolarHBondContact O-N 3.47Å
152R25.1Very low27Very low238 Ų238149.4 Ų149.490%0.89872%0.723SS**  trans-38.4104.4169.6-77.8172.5155.4176.3-6.2109.7H150 T154H150-R152 PolarHBondContact O-N 3.16Å; H150-R152 VanDerWaalsContact O-N 3.11Å; R152-T154 PolarHBondContact O-N 3.01Å
153L27.2Very low26.7Very low104 Ų104148.7 Ų148.755%0.54572%0.721SS.*  trans-72.1121.8161.9-10.565.3000109.2R39 D151 V155R39-L153 PolarHBondContact NH1-O 3.1Å; R39-L153 PolarHBondContact NH2-O 2.77Å; D151-L153 PolarHBondContact O-N 3.47Å; L153-V155 PolarHBondContact O-N 2.96Å; L153-V155 VanDerWaalsContact O-N 3.17Å
154T26.5Very low26.6Very low122 Ų122152.6 Ų152.675%0.74873%0.734SS**  trans-62.9115.8176.2-34.50000108.1R39 R152R39-T154 VanDerWaalsContact NH2-C 3.34Å; R39-T154 PolarHBondContact NH2-O 2.91Å; R152-T154 PolarHBondContact O-N 3.01Å
155V27Very low26.4Very low69 Ų69146.9 Ų146.942%0.41872%0.723SS.*  trans-88.3107.6167.2175.50000104.9P37 R39 L153 Q157P37-V155 HydrophobicContact CG-CB 4.4Å; P37-V155 HydrophobicContact CG-CG1 3.64Å; P37-V155 HydrophobicContact CG-CG2 3.82Å; R39-V155 VanDerWaalsContact CZ-CG2 3.43Å; L153-V155 PolarHBondContact O-N 2.96Å; L153-V155 VanDerWaalsContact O-N 3.17Å; V155-Q157 PolarHBondContact O-N 3.39Å
156T23.8Very low26.3Very low114 Ų114145.1 Ų145.170%0.69972%0.716SS**  trans-76.2103.3168.4-5.80000107.4H158T156-H158 PolarHBondContact O-N 3.07Å
157Q26Very low26Very low169 Ų169146.4 Ų146.479%0.7973%0.733SS**  trans-78.7108.6173.5-153.3174.87.700106.8V155 S159V155-Q157 PolarHBondContact O-N 3.39Å; Q157-S159 PolarHBondContact O-N 3.31Å
158H22.4Very low25.7Very low180 Ų180151.2 Ų151.283%0.83375%0.747SS**  trans-86.997.7163-76-78000106.5T156T156-H158 PolarHBondContact O-N 3.07Å
159S22.5Very low25.6Very low99 Ų99145.8 Ų145.869%0.69274%0.742SS**  trans-91.3124.2161.244.70000107.4Q157Q157-S159 PolarHBondContact O-N 3.31Å
160E26.1Very low25.2Very low268 Ų268148.7 Ų148.7100%1.25275%0.747SS**  trans-65.30149.6-70.2-177.4162.600109.4

Retrieved 160 of 160 residues in 209.5 ms (Link to these results)