A0A087Y1J4_POEFO Loading...

Sodium channel, voltage-gated, type II, beta

AlphaFold DB , UniProt , Accession A0A087Y1J4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1M90.6Very high95.8Very high34 Ų3460.4 Ų60.417%0.16733%0.334CS..  0122.20170.8-17716700105.4F23 T24 V102 N104 D107M1-F23 HydrophobicContact CE-CB 3.94Å; M1-F23 HydrophobicContact CE-CD2 3.55Å; M1-F23 HydrophobicContact CE-CE2 4.23Å; M1-F23 HydrophobicContact CE-CG 3.86Å; M1-F23 HydrophobicContact CG-CD2 4.37Å; M1-F23 HydrophobicContact SD-CD2 4.38Å; M1-T24 WeakPolarHBondContact CA-O 3.41Å; M1-T24 VanDerWaalsContact CG-O 3.3Å; M1-T24 WeakPolarHBondContact CG-O 3.5Å; M1-V102 HydrophobicContact CE-CB 3.27Å; M1-V102 HydrophobicContact CE-CG1 3.22Å; M1-V102 HydrophobicContact CE-CG2 4.39Å; M1-V102 WeakPolarHBondContact CE-O 3.44Å; M1-N104 HydrophobicContact CE-CB 4.49Å; M1-N104 HydrophobicContact SD-CB 4.05Å; M1-D107 HydrophobicContact CB-CB 4.32Å; M1-D107 HydrophobicContact SD-CB 4.39Å
2D92.5Very high95.8Very high106 Ų10659.8 Ų59.857%0.56733%0.329SS*.EExtended strand (participates in β ladder)trans-121.1149.7-175.5-51.7-41000109.2F23 T24D2-F23 CarbonylContact O-C 3.5Å; D2-F23 VanDerWaalsContact O-CA 3.24Å; D2-F23 WeakPolarHBondContact O-CA 3.45Å; D2-T24 PolarHBondContact N-O 2.71Å; D2-T24 PolarHBondContact N-OG1 3.2Å; D2-T24 PolarHBondContact O-N 2.9Å; D2-T24 PolarHBondContact O-OG1 3.05Å
3V97.2Very high96Very high22 Ų2259.9 Ų59.913%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-113.3119.7178.5177.10000108.2V5 C21 F23 C100 V102V3-V5 HydrophobicContact CG1-CG1 3.95Å; V3-C21 WeakPolarHBondContact CG1-SG 3.35Å; V3-F23 HydrophobicContact CG2-CB 4.1Å; V3-C100 HydrophobicContact CG1-CB 4.33Å; V3-V102 HydrophobicContact CG2-CB 4.35Å; V3-V102 HydrophobicContact CG2-CG2 3.96Å
4L97.8Very high96Very high104 Ų10458.8 Ų58.855%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-94.4112.7179.4-58.4171.2000108.5T22 T24L4-T22 WeakPolarHBondContact CA-O 3.48Å; L4-T22 WeakPolarHBondContact CB-O 3.41Å; L4-T22 PolarHBondContact N-O 3.47Å; L4-T22 PolarHBondContact O-N 3.23Å; L4-T24 HydrophobicContact CD1-CG2 3.98Å
5V97.9Very high96.1Very high42 Ų4258.2 Ų58.226%0.25534%0.336SS..EExtended strand (participates in β ladder)trans-137.3157.8175.8-67.10000109.6V3 C21 I115V3-V5 HydrophobicContact CG1-CG1 3.95Å; V5-C21 HydrophobicContact CG1-CB 3.94Å; V5-I115 HydrophobicContact CB-CD1 3.93Å; V5-I115 HydrophobicContact CB-CG1 3.79Å; V5-I115 HydrophobicContact CG1-CD1 3.99Å; V5-I115 HydrophobicContact CG1-CG1 4.19Å; V5-I115 HydrophobicContact CG2-CG1 4.07Å
6S96.7Very high96.2Very high54 Ų5460.3 Ų60.338%0.37835%0.35SS..  trans-71.8130.6165.3-63.20000109.2Y8 I115S6-Y8 PolarHBondContact O-N 3.21Å; S6-I115 WeakPolarHBondContact O-CG1 3.28Å
7S95.5Very high96.3Very high99 Ų9958.2 Ų58.269%0.69234%0.339SS*.SBendtrans-65.3-26.6177.957.80000112.9D116S7-D116 PolarHBondContact O-N 3.07Å
8Y96.3Very high96.4Very high106 Ų10659.3 Ų59.342%0.41635%0.346SS..EExtended strand (participates in β ladder)trans-147.1136.8-175.9-177.7-89.3000110.6S6 N10 D116 K118S6-Y8 PolarHBondContact O-N 3.21Å; Y8-N10 HydrophobicContact CE1-CB 4.48Å; Y8-N10 VanDerWaalsContact CE1-CG 3.43Å; Y8-N10 WeakPolarHBondContact CE1-OD1 3.28Å; Y8-N10 PolarHBondContact OH-OD1 2.99Å; Y8-D116 CarbonylContact C-O 3.2Å; Y8-D116 VanDerWaalsContact CA-O 3.29Å; Y8-D116 WeakPolarHBondContact CA-O 3.31Å; Y8-D116 HydrophobicContact CD2-CB 3.99Å; Y8-K118 HydrophobicContact CD2-CG 4.36Å; Y8-K118 HydrophobicContact CE2-CB 4.19Å; Y8-K118 HydrophobicContact CE2-CD 4.48Å; Y8-K118 HydrophobicContact CE2-CG 3.31Å; Y8-K118 VanDerWaalsContact CZ-CG 3.49Å; Y8-K118 WeakPolarHBondContact OH-CB 3.38Å; Y8-K118 WeakPolarHBondContact OH-CG 3.36Å
9I96.9Very high96.5Very high20 Ų2056.2 Ų56.210%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-133.5130.5177.9-62.2179.3000109V17 I19 I115 D116 F117 K118I9-V17 HydrophobicContact CG2-CG2 4.48Å; I9-I19 HydrophobicContact CD1-CG2 4.08Å; I9-I115 HydrophobicContact CB-CG2 4.37Å; I9-I115 HydrophobicContact CD1-CG2 3.7Å; I9-I115 HydrophobicContact CG1-CG2 3.83Å; I9-D116 PolarHBondContact N-O 3.46Å; I9-F117 HydrophobicContact CB-CD2 3.96Å; I9-F117 HydrophobicContact CB-CE2 4.47Å; I9-F117 HydrophobicContact CG2-CD2 3.87Å; I9-F117 HydrophobicContact CG2-CE2 3.86Å; I9-K118 PolarHBondContact O-N 3.45Å
10N96.1Very high96.5Very high74 Ų7455.7 Ų55.740%0.39633%0.327SS..EExtended strand (participates in β ladder)trans-100.2128.2166.3-79.3-26.8000109.5Y8 K118Y8-N10 HydrophobicContact CE1-CB 4.48Å; Y8-N10 VanDerWaalsContact CE1-CG 3.43Å; Y8-N10 WeakPolarHBondContact CE1-OD1 3.28Å; Y8-N10 PolarHBondContact OH-OD1 2.99Å; N10-K118 WeakPolarHBondContact CA-O 3.46Å; N10-K118 WeakPolarHBondContact OD1-CB 3.48Å
11A96.1Very high96.6Very high3 Ų353 Ų533%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-120144.4171.200000110.4V17 V90 F117 K118 V119 V120A11-V17 HydrophobicContact CB-CB 4.24Å; A11-V17 HydrophobicContact CB-CG1 4.05Å; A11-V17 HydrophobicContact CB-CG2 4.35Å; A11-V90 HydrophobicContact CB-CG1 4.06Å; A11-V90 HydrophobicContact CB-CG2 4.27Å; A11-F117 HydrophobicContact CB-CE1 4.05Å; A11-F117 HydrophobicContact CB-CE2 3.92Å; A11-F117 HydrophobicContact CB-CZ 3.35Å; A11-K118 PolarHBondContact N-O 3.09Å; A11-V119 CarbonylContact O-C 3.59Å; A11-V119 WeakPolarHBondContact O-CA 3.47Å; A11-V120 WeakPolarHBondContact O-CG2 3.32Å; A11-V120 PolarHBondContact O-N 3.46Å
12L96.6Very high97Very high53 Ų5353.7 Ų53.728%0.27732%0.317SS..EExtended strand (participates in β ladder)trans-84.5136.5176.6-173.875000109.4G14 T15 V120 T121L12-G14 PolarHBondContact O-N 3.07Å; L12-T15 HydrophobicContact CB-CG2 3.69Å; L12-T15 HydrophobicContact CD2-CG2 3.83Å; L12-T15 HydrophobicContact CG-CG2 4.07Å; L12-T15 WeakPolarHBondContact O-CB 3.47Å; L12-T15 PolarHBondContact O-N 3.09Å; L12-T15 VanDerWaalsContact O-N 3.09Å; L12-T15 PolarHBondContact O-OG1 3.16Å; L12-V120 CarbonylContact C-O 3.58Å; L12-V120 WeakPolarHBondContact CA-O 3.46Å; L12-V120 HydrophobicContact CD1-CG2 4.26Å; L12-T121 WeakPolarHBondContact CD1-O 3.32Å
13N97.4Very high97.2Very high62 Ų6248.8 Ų48.833%0.33229%0.291SS..THydrogen-bonded Turntrans-54.5135.4176.6-169.353.6000111.6T15 V90 Q91 L92 V119 V120N13-T15 VanDerWaalsContact C-N 3.27Å; N13-T15 PolarHBondContact O-N 3.2Å; N13-V90 CarbonylContact C-O 3.56Å; N13-V90 PolarHBondContact OD1-O 2.83Å; N13-Q91 WeakPolarHBondContact OD1-CA 3.05Å; N13-L92 PolarHBondContact OD1-N 3.47Å; N13-V119 HydrophobicContact CB-CG1 4.1Å; N13-V120 PolarHBondContact N-O 2.97Å
14G96.9Very high97.1Very high44 Ų4450.6 Ų50.645%0.45430%0.302SS..THydrogen-bonded Turntrans76.60.4-176.500000115.5L12 V90L12-G14 PolarHBondContact O-N 3.07Å; G14-V90 PolarHBondContact N-O 3.4Å
15T96.9Very high97Very high50 Ų5047 Ų4731%0.30729%0.286SS..  trans-90.5170.117966.70000112.7L12 N13 D89 V90L12-T15 HydrophobicContact CB-CG2 3.69Å; L12-T15 HydrophobicContact CD2-CG2 3.83Å; L12-T15 HydrophobicContact CG-CG2 4.07Å; L12-T15 WeakPolarHBondContact O-CB 3.47Å; L12-T15 PolarHBondContact O-N 3.09Å; L12-T15 VanDerWaalsContact O-N 3.09Å; L12-T15 PolarHBondContact O-OG1 3.16Å; N13-T15 VanDerWaalsContact C-N 3.27Å; N13-T15 PolarHBondContact O-N 3.2Å; T15-D89 PolarHBondContact O-N 3.08Å; T15-V90 VanDerWaalsContact O-CG2 3.31Å; T15-V90 WeakPolarHBondContact O-CG2 3.36Å; T15-V90 PolarHBondContact O-N 3.37Å
16T97.9Very high96.7Very high91 Ų9150.9 Ų50.956%0.55831%0.313SS*.  trans-105.2127.4169.9-630000108.9T86 L87 Q88T16-T86 HydrophobicContact CG2-CG2 3.32Å; T16-L87 WeakPolarHBondContact CA-O 3.23Å; T16-Q88 HydrophobicContact CG2-CG 4.03Å
17V97.3Very high96.6Very high26 Ų2654 Ų5416%0.15832%0.318CS..EExtended strand (participates in β ladder)trans-127.1146.7-177.570.50000110.8I9 A11 I19 T86 L87 V90 F117I9-V17 HydrophobicContact CG2-CG2 4.48Å; A11-V17 HydrophobicContact CB-CB 4.24Å; A11-V17 HydrophobicContact CB-CG1 4.05Å; A11-V17 HydrophobicContact CB-CG2 4.35Å; V17-I19 HydrophobicContact CG1-CG1 4.46Å; V17-T86 CarbonylContact O-C 3.59Å; V17-T86 WeakPolarHBondContact O-CA 3.26Å; V17-L87 HydrophobicContact CG1-CB 4.2Å; V17-L87 PolarHBondContact N-O 3.15Å; V17-L87 PolarHBondContact O-N 3.42Å; V17-V90 HydrophobicContact CG1-CG2 3.73Å; V17-F117 HydrophobicContact CG1-CE2 3.78Å; V17-F117 HydrophobicContact CG1-CZ 3.73Å
18T98.1Very high96.5Very high77 Ų7758.6 Ų58.647%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-100.4126171.1-60.10000109P20 I85 T86T18-P20 WeakPolarHBondContact O-CD 3.45Å; T18-I85 CarbonylContact C-O 3.5Å; T18-I85 WeakPolarHBondContact CA-O 3.39Å; T18-T86 PolarHBondContact OG1-OG1 2.95Å
19I98.1Very high96.5Very high0 Ų055.4 Ų55.40%032%0.315CS..EExtended strand (participates in β ladder)trans-98.8105.7177.1-56.2175.1000107I9 V17 W38 S84 I85 L87 Y98 I115 F117I9-I19 HydrophobicContact CD1-CG2 4.08Å; V17-I19 HydrophobicContact CG1-CG1 4.46Å; I19-W38 HydrophobicContact CG2-CH2 3.83Å; I19-W38 HydrophobicContact CG2-CZ3 4.27Å; I19-S84 WeakPolarHBondContact O-CA 3.38Å; I19-I85 HydrophobicContact CB-CD1 4.43Å; I19-I85 HydrophobicContact CB-CG1 3.88Å; I19-I85 HydrophobicContact CD1-CD1 4.22Å; I19-I85 HydrophobicContact CD1-CG1 4.42Å; I19-I85 PolarHBondContact N-O 2.74Å; I19-I85 PolarHBondContact O-N 3.41Å; I19-I85 VanDerWaalsContact O-N 3.17Å; I19-L87 HydrophobicContact CD1-CB 4.41Å; I19-Y98 HydrophobicContact CD1-CD1 3.99Å; I19-Y98 HydrophobicContact CD1-CE1 3.95Å; I19-I115 HydrophobicContact CG2-CD1 3.42Å; I19-I115 VanDerWaalsContact CG2-CD1 3.42Å; I19-F117 HydrophobicContact CD1-CD2 4.03Å; I19-F117 HydrophobicContact CD1-CE2 3.91Å; I19-F117 HydrophobicContact CG1-CD2 4.28Å; I19-F117 HydrophobicContact CG1-CE2 4.01Å
20P98Very high96.4Very high46 Ų4657 Ų5730%0.29932%0.323SS..  trans-76.7135.5-174.430.6-34.5000111.9T18 S84T18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-S84 WeakPolarHBondContact CA-OG 3.19Å
21C98.3Very high96.3Very high0 Ų059.3 Ų59.30%033%0.327CS..EExtended strand (participates in β ladder)trans-141.2123.5163.51770000108.7V3 V5 W38 L83 S84 C100V3-C21 WeakPolarHBondContact CG1-SG 3.35Å; V5-C21 HydrophobicContact CG1-CB 3.94Å; C21-W38 HydrophobicContact CB-CH2 3.63Å; C21-W38 HydrophobicContact CB-CZ2 3.26Å; C21-L83 HydrophobicContact CB-CB 4.2Å; C21-L83 CarbonylContact O-C 3.49Å; C21-L83 WeakPolarHBondContact O-CA 3.46Å; C21-L83 PolarHBondContact O-N 3.02Å; C21-S84 PolarHBondContact N-OG 3.25Å; C21-S84 PolarHBondContact O-N 2.97Å; C21-C100 HydrophobicContact CB-CB 3.88Å; C21-C100 WeakPolarHBondContact CB-SG 3.27Å; C21-C100 WeakPolarHBondContact SG-CB 3.3Å; C21-C100 CovalentContact SG-SG 2.05Å; C21-C100 PolarHBondContact SG-SG 3.23Å
22T98.1Very high96.2Very high49 Ų4964.1 Ų64.130%0.30136%0.356SS..EExtended strand (participates in β ladder)trans-130.2142.2175.3-590000108.6L4 N81L4-T22 WeakPolarHBondContact CA-O 3.48Å; L4-T22 WeakPolarHBondContact CB-O 3.41Å; L4-T22 PolarHBondContact N-O 3.47Å; L4-T22 PolarHBondContact O-N 3.23Å; T22-N81 WeakPolarHBondContact CA-O 3.41Å
23F97.4Very high96.1Very high2 Ų267.4 Ų67.41%0.00937%0.368CS..EExtended strand (participates in β ladder)trans-118.4152.1176.775.7-85.3000112.5M1 D2 V3 I29 F34 N81 L83 V102 N104M1-F23 HydrophobicContact CE-CB 3.94Å; M1-F23 HydrophobicContact CE-CD2 3.55Å; M1-F23 HydrophobicContact CE-CE2 4.23Å; M1-F23 HydrophobicContact CE-CG 3.86Å; M1-F23 HydrophobicContact CG-CD2 4.37Å; M1-F23 HydrophobicContact SD-CD2 4.38Å; D2-F23 CarbonylContact O-C 3.5Å; D2-F23 VanDerWaalsContact O-CA 3.24Å; D2-F23 WeakPolarHBondContact O-CA 3.45Å; V3-F23 HydrophobicContact CG2-CB 4.1Å; F23-I29 HydrophobicContact CE1-CD1 4.2Å; F23-I29 HydrophobicContact CZ-CD1 3.78Å; F23-I29 HydrophobicContact CZ-CG1 3.86Å; F23-F34 HydrophobicContact CE1-CE2 4.04Å; F23-F34 HydrophobicContact CE1-CZ 4.26Å; F23-F34 AromaticContact CZ-CE2 3.87Å; F23-F34 HydrophobicContact CZ-CE2 3.87Å; F23-N81 HydrophobicContact CD1-CB 3.71Å; F23-N81 VanDerWaalsContact CD1-O 3.27Å; F23-N81 WeakPolarHBondContact CD1-O 3.4Å; F23-N81 HydrophobicContact CD2-CB 4.3Å; F23-N81 HydrophobicContact CE1-CB 3.53Å; F23-N81 HydrophobicContact CE2-CB 4.15Å; F23-N81 HydrophobicContact CG-CB 4.12Å; F23-N81 HydrophobicContact CZ-CB 3.77Å; F23-N81 PolarHBondContact N-O 2.98Å; F23-N81 WeakPolarHBondContact O-CB 3.44Å; F23-N81 PolarHBondContact O-ND2 3.33Å; F23-L83 HydrophobicContact CD1-CD1 3.56Å; F23-L83 HydrophobicContact CD1-CG 3.93Å; F23-L83 HydrophobicContact CE1-CD1 3.95Å; F23-L83 HydrophobicContact CE1-CD2 4.24Å; F23-L83 HydrophobicContact CE1-CG 4.14Å; F23-V102 HydrophobicContact CB-CG1 4.49Å; F23-V102 HydrophobicContact CD1-CG1 3.88Å; F23-V102 HydrophobicContact CD2-CG1 4.39Å; F23-V102 HydrophobicContact CE1-CG1 4.13Å; F23-V102 HydrophobicContact CG-CG1 4Å; F23-V102 HydrophobicContact CZ-CG1 4.49Å; F23-N104 HydrophobicContact CE2-CB 4.19Å
24T95.8Very high96.1Very high60 Ų6064.9 Ų64.937%0.36835%0.354SS..EExtended strand (participates in β ladder)trans-108.8129.7175.560.90000109.7M1 D2 L4M1-T24 WeakPolarHBondContact CA-O 3.41Å; M1-T24 VanDerWaalsContact CG-O 3.3Å; M1-T24 WeakPolarHBondContact CG-O 3.5Å; D2-T24 PolarHBondContact N-O 2.71Å; D2-T24 PolarHBondContact N-OG1 3.2Å; D2-T24 PolarHBondContact O-N 2.9Å; D2-T24 PolarHBondContact O-OG1 3.05Å; L4-T24 HydrophobicContact CD1-CG2 3.98Å
25S94.1Very high96.1Very high29 Ų2964.8 Ų64.820%0.20335%0.349CS..  trans-145.4146.5177177.90000109.8Y27 N104 D107S25-Y27 PolarHBondContact O-N 3.43Å; S25-Y27 PolarHBondContact OG-N 3.42Å; S25-Y27 VanDerWaalsContact OG-N 3.12Å; S25-Y27 PolarHBondContact OG-O 2.99Å; S25-N104 PolarHBondContact OG-ND2 2.85Å; S25-D107 WeakPolarHBondContact CB-OD2 3.31Å; S25-D107 PolarHBondContact OG-OD2 2.93Å
26C92.8Very high96.1Very high124 Ų12462.5 Ų62.584%0.83834%0.335SS*.SBendtrans-75.8-11.7172.7-61.40000112.2
27Y93.6Very high96.1Very high118 Ų11860 Ų6046%0.46332%0.319SS..SBendtrans-114.8143.6-175.8-53.9-77.2000110.9S25 N104 P106 D107S25-Y27 PolarHBondContact O-N 3.43Å; S25-Y27 PolarHBondContact OG-N 3.42Å; S25-Y27 VanDerWaalsContact OG-N 3.12Å; S25-Y27 PolarHBondContact OG-O 2.99Å; Y27-N104 PolarHBondContact O-ND2 3.29Å; Y27-N104 VanDerWaalsContact O-ND2 3.11Å; Y27-P106 HydrophobicContact CD1-CG 3.68Å; Y27-P106 HydrophobicContact CD2-CG 3.73Å; Y27-P106 HydrophobicContact CE1-CG 3.66Å; Y27-P106 HydrophobicContact CE2-CG 3.72Å; Y27-P106 HydrophobicContact CG-CG 3.71Å; Y27-D107 VanDerWaalsContact CD2-OD1 3.25Å; Y27-D107 WeakPolarHBondContact CD2-OD1 3.29Å; Y27-D107 VanDerWaalsContact CE2-OD1 3.29Å; Y27-D107 WeakPolarHBondContact CE2-OD1 3.43Å
28K94.1Very high96.1Very high196 Ų19658.8 Ų58.885%0.85231%0.311SS*.  trans-67.8151.9170-64.7-172.8178.6-175.10110.2D30K28-D30 PolarHBondContact O-N 3.25Å
29I95.2Very high96.1Very high40 Ų4055.6 Ų55.621%0.20529%0.291CS..  trans-62.2118.1176.1-67.5174.6000110.1F23 R31 F34 L78F23-I29 HydrophobicContact CE1-CD1 4.2Å; F23-I29 HydrophobicContact CZ-CD1 3.78Å; F23-I29 HydrophobicContact CZ-CG1 3.86Å; I29-R31 HydrophobicContact CG2-CG 4.44Å; I29-F34 HydrophobicContact CD1-CE2 4.34Å; I29-F34 HydrophobicContact CG1-CD2 4.22Å; I29-F34 HydrophobicContact CG1-CE2 4.4Å; I29-F34 HydrophobicContact CG2-CB 3.73Å; I29-F34 HydrophobicContact CG2-CD1 4.25Å; I29-F34 HydrophobicContact CG2-CD2 4.09Å; I29-F34 HydrophobicContact CG2-CG 3.76Å; I29-L78 HydrophobicContact CD1-CB 4.5Å; I29-L78 WeakPolarHBondContact CD1-O 3.38Å
30D95.1Very high96.1Very high52 Ų5255.8 Ų55.828%0.27829%0.292SS..  trans-86.2104.3162.5-179-15.1000108.5K28 T32 K33 F34K28-D30 PolarHBondContact O-N 3.25Å; D30-T32 PolarHBondContact O-N 3.05Å; D30-T32 WeakPolarHBondContact OD1-CB 3.31Å; D30-T32 PolarHBondContact OD1-N 2.92Å; D30-T32 PolarHBondContact OD1-OG1 3.11Å; D30-K33 HydrophobicContact CB-CB 4.36Å; D30-K33 PolarHBondContact O-N 3.48Å; D30-K33 WeakPolarHBondContact OD2-CD 3.45Å; D30-K33 WeakPolarHBondContact OD2-CE 3.37Å; D30-K33 IonicContact OD2-NZ 2.76Å; D30-K33 PolarHBondContact OD2-NZ 2.98Å; D30-F34 VanDerWaalsContact O-CB 3.31Å; D30-F34 WeakPolarHBondContact O-CB 3.39Å; D30-F34 PolarHBondContact O-N 3.17Å
31R94.1Very high95.9Very high123 Ų12354.5 Ų54.546%0.46428%0.282SS..THydrogen-bonded Turntrans-56.1-19.2-176.6-69.1177.5174.9-96.71.6114.3I29 Y54 E79I29-R31 HydrophobicContact CG2-CG 4.44Å; R31-Y54 WeakPolarHBondContact CB-OH 3.35Å; R31-Y54 WeakPolarHBondContact O-CE1 3.34Å; R31-Y54 PolarHBondContact O-OH 2.95Å; R31-E79 IonicContact CZ-OE1 2.7Å; R31-E79 IonicContact NH2-OE1 3.53Å; R31-E79 PolarHBondContact NH2-OE1 3.38Å
32T94.5Very high95.7Very high105 Ų10559 Ų5964%0.64430%0.303SS*.THydrogen-bonded Turntrans-87.6-20178.768.10000113.6D30D30-T32 PolarHBondContact O-N 3.05Å; D30-T32 WeakPolarHBondContact OD1-CB 3.31Å; D30-T32 PolarHBondContact OD1-N 2.92Å; D30-T32 PolarHBondContact OD1-OG1 3.11Å
33K95.4Very high95.4Very high122 Ų12259.7 Ų59.753%0.5331%0.307SS..THydrogen-bonded Turntrans-118.4-20.5-175.2-61.8-178-169.2122.50113.6D30 P105D30-K33 HydrophobicContact CB-CB 4.36Å; D30-K33 PolarHBondContact O-N 3.48Å; D30-K33 WeakPolarHBondContact OD2-CD 3.45Å; D30-K33 WeakPolarHBondContact OD2-CE 3.37Å; D30-K33 IonicContact OD2-NZ 2.76Å; D30-K33 PolarHBondContact OD2-NZ 2.98Å; K33-P105 HydrophobicContact CB-CB 4.28Å; K33-P105 HydrophobicContact CB-CG 4.07Å; K33-P105 HydrophobicContact CD-CB 4.37Å
34F97.1Very high95.1Very high9 Ų966.2 Ų66.24%0.03934%0.342CS..  trans-61.8135.7177.3179.7-103.7000110.4F23 I29 D30 M36 Y54 L78 L83 V102 R103 N104F23-F34 HydrophobicContact CE1-CE2 4.04Å; F23-F34 HydrophobicContact CE1-CZ 4.26Å; F23-F34 AromaticContact CZ-CE2 3.87Å; F23-F34 HydrophobicContact CZ-CE2 3.87Å; I29-F34 HydrophobicContact CD1-CE2 4.34Å; I29-F34 HydrophobicContact CG1-CD2 4.22Å; I29-F34 HydrophobicContact CG1-CE2 4.4Å; I29-F34 HydrophobicContact CG2-CB 3.73Å; I29-F34 HydrophobicContact CG2-CD1 4.25Å; I29-F34 HydrophobicContact CG2-CD2 4.09Å; I29-F34 HydrophobicContact CG2-CG 3.76Å; D30-F34 VanDerWaalsContact O-CB 3.31Å; D30-F34 WeakPolarHBondContact O-CB 3.39Å; D30-F34 PolarHBondContact O-N 3.17Å; F34-M36 HydrophobicContact CE1-CB 4.1Å; F34-M36 HydrophobicContact CE1-CG 3.87Å; F34-M36 HydrophobicContact CZ-CB 3.9Å; F34-M36 HydrophobicContact CZ-CG 4.03Å; F34-Y54 HydrophobicContact CB-CE1 4.41Å; F34-Y54 AromaticContact CD1-CD1 3.62Å; F34-Y54 HydrophobicContact CD1-CD1 3.62Å; F34-Y54 AromaticContact CD1-CD2 3.99Å; F34-Y54 HydrophobicContact CD1-CD2 3.99Å; F34-Y54 AromaticContact CD1-CE1 3.91Å; F34-Y54 HydrophobicContact CD1-CE1 3.91Å; F34-Y54 HydrophobicContact CD1-CE2 4.26Å; F34-Y54 AromaticContact CD1-CG 3.65Å; F34-Y54 HydrophobicContact CD1-CG 3.65Å; F34-Y54 HydrophobicContact CE1-CD1 4.32Å; F34-Y54 HydrophobicContact CE1-CD2 4.08Å; F34-Y54 AromaticContact CE1-CG 3.9Å; F34-Y54 HydrophobicContact CE1-CG 3.9Å; F34-Y54 WeakPolarHBondContact O-CD1 3.35Å; F34-L78 HydrophobicContact CE1-CD2 4.07Å; F34-L78 HydrophobicContact CZ-CD2 4.45Å; F34-L83 HydrophobicContact CZ-CD1 4.43Å; F34-L83 HydrophobicContact CZ-CD2 4.08Å; F34-V102 HydrophobicContact CE2-CG1 3.68Å; F34-V102 HydrophobicContact CZ-CG1 3.99Å; F34-R103 WeakPolarHBondContact CD2-O 3.35Å; F34-N104 HydrophobicContact CD2-CB 4.17Å; F34-N104 HydrophobicContact CE2-CB 4.49Å
35A96.8Very high94.9Very high42 Ų4271 Ų7135%0.34737%0.365SS..EExtended strand (participates in β ladder)trans-143.3137.8175.200000108.8R103A35-R103 HydrophobicContact CB-CB 4.49Å; A35-R103 PolarHBondContact N-O 2.9Å; A35-R103 WeakPolarHBondContact O-CA 3.49Å; A35-R103 PolarHBondContact O-N 2.94Å
36M97.2Very high94.8Very high2 Ų272.7 Ų72.71%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-145.5153.617375.48276.200109.3F34 T53 Y54 M60 L83 Y101 V102F34-M36 HydrophobicContact CE1-CB 4.1Å; F34-M36 HydrophobicContact CE1-CG 3.87Å; F34-M36 HydrophobicContact CZ-CB 3.9Å; F34-M36 HydrophobicContact CZ-CG 4.03Å; M36-T53 WeakPolarHBondContact O-CA 3.35Å; M36-T53 PolarHBondContact O-OG1 3.33Å; M36-T53 VanDerWaalsContact O-OG1 3.07Å; M36-Y54 PolarHBondContact O-N 2.95Å; M36-M60 HydrophobicContact CE-CE 3.72Å; M36-M60 HydrophobicContact CE-SD 4.41Å; M36-M60 HydrophobicContact CG-CE 4.41Å; M36-M60 HydrophobicContact CG-SD 3.99Å; M36-M60 HydrophobicContact SD-CE 3.47Å; M36-M60 WeakPolarHBondContact SD-CE 3.47Å; M36-M60 HydrophobicContact SD-SD 3.81Å; M36-L83 HydrophobicContact CB-CD1 4.43Å; M36-L83 HydrophobicContact CE-CB 3.71Å; M36-L83 HydrophobicContact CE-CD1 3.71Å; M36-L83 HydrophobicContact CE-CD2 4.12Å; M36-L83 HydrophobicContact CE-CG 4.05Å; M36-Y101 CarbonylContact C-O 3.54Å; M36-Y101 WeakPolarHBondContact CA-O 3.4Å; M36-Y101 VanDerWaalsContact CB-O 3.3Å; M36-Y101 WeakPolarHBondContact CB-O 3.29Å; M36-V102 HydrophobicContact CB-CG1 4.29Å
37N97.5Very high94.8Very high39 Ų3972.7 Ų72.721%0.20937%0.368CS..EExtended strand (participates in β ladder)trans-137.6136.8173.3-58.6-58.1000109T39 K50 M52 T53 Y101N37-T39 HydrophobicContact CB-CG2 4.39Å; N37-K50 HydrophobicContact CB-CD 4.26Å; N37-K50 HydrophobicContact CB-CG 4.34Å; N37-K50 WeakPolarHBondContact OD1-CD 3.41Å; N37-K50 VanDerWaalsContact OD1-CE 3.28Å; N37-K50 WeakPolarHBondContact OD1-CE 3.23Å; N37-K50 PolarHBondContact OD1-NZ 3.49Å; N37-M52 WeakPolarHBondContact CA-O 3.36Å; N37-T53 PolarHBondContact OD1-OG1 2.91Å; N37-Y101 PolarHBondContact N-O 2.9Å; N37-Y101 PolarHBondContact O-N 3.13Å
38W97.9Very high94.9Very high0 Ų070.5 Ų70.50%036%0.362CS..EExtended strand (participates in β ladder)trans-93.1133.2153.7-74.897.5000110.1I19 C21 K50 F51 M52 L83 I85 H99 C100 I115I19-W38 HydrophobicContact CG2-CH2 3.83Å; I19-W38 HydrophobicContact CG2-CZ3 4.27Å; C21-W38 HydrophobicContact CB-CH2 3.63Å; C21-W38 HydrophobicContact CB-CZ2 3.26Å; W38-K50 WeakPolarHBondContact O-CA 3.32Å; W38-K50 WeakPolarHBondContact O-CG 3.28Å; W38-F51 HydrophobicContact CB-CD1 4.45Å; W38-F51 HydrophobicContact CB-CD2 4.24Å; W38-F51 HydrophobicContact CB-CE1 3.84Å; W38-F51 HydrophobicContact CB-CE2 3.57Å; W38-F51 HydrophobicContact CB-CZ 3.37Å; W38-F51 HydrophobicContact CD2-CZ 4.28Å; W38-F51 HydrophobicContact CE3-CZ 4.2Å; W38-F51 HydrophobicContact CG-CE2 4.16Å; W38-F51 HydrophobicContact CG-CZ 4.01Å; W38-F51 PolarHBondContact O-N 3.36Å; W38-F51 VanDerWaalsContact O-N 3.12Å; W38-M52 HydrophobicContact CB-CB 3.93Å; W38-M52 HydrophobicContact CG-CB 4.32Å; W38-M52 PolarHBondContact N-O 3.43Å; W38-L83 PolarHBondContact NE1-O 3.05Å; W38-I85 HydrophobicContact CD2-CD1 4.08Å; W38-I85 HydrophobicContact CE3-CD1 4.41Å; W38-I85 HydrophobicContact CG-CD1 4.33Å; W38-I85 HydrophobicContact CZ2-CD1 4.45Å; W38-I85 HydrophobicContact CZ2-CG1 4.25Å; W38-H99 VanDerWaalsContact CA-O 3.29Å; W38-H99 WeakPolarHBondContact CA-O 3.45Å; W38-H99 VanDerWaalsContact CE3-O 3.28Å; W38-C100 HydrophobicContact CD2-CB 4.25Å; W38-C100 HydrophobicContact CE3-CB 4.03Å; W38-C100 HydrophobicContact CH2-CB 3.8Å; W38-C100 HydrophobicContact CZ2-CB 4.03Å; W38-C100 HydrophobicContact CZ3-CB 3.78Å; W38-I115 HydrophobicContact CH2-CD1 3.8Å; W38-I115 HydrophobicContact CZ3-CD1 4Å
39T97.3Very high94.9Very high10 Ų1065.8 Ų65.86%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-127.7153.6172.368.60000110.6N37 E48 E49 K50 F51 Y98 H99 Y101N37-T39 HydrophobicContact CB-CG2 4.39Å; T39-E48 WeakPolarHBondContact CB-OE2 3.47Å; T39-E48 PolarHBondContact OG1-OE2 3.41Å; T39-E49 CarbonylContact C-O 3.54Å; T39-E49 WeakPolarHBondContact CA-O 3.25Å; T39-K50 HydrophobicContact CG2-CB 4.21Å; T39-K50 HydrophobicContact CG2-CG 4.45Å; T39-F51 VanDerWaalsContact C-CE1 3.49Å; T39-Y98 WeakPolarHBondContact O-CA 3.42Å; T39-H99 PolarHBondContact N-O 2.89Å; T39-H99 PolarHBondContact O-N 3.23Å; T39-H99 WeakPolarHBondContact OG1-CB 3.44Å; T39-Y101 HydrophobicContact CG2-CD2 4.3Å; T39-Y101 HydrophobicContact CG2-CE2 4.31Å; T39-Y101 WeakPolarHBondContact OG1-CE2 3.45Å
40Y97.1Very high95Very high4 Ų468.1 Ų68.12%0.01635%0.352CS..EExtended strand (participates in β ladder)trans-116.1141.1176.7165.6-91000109.1E42 E48 E49 R67 F68 E95 L97 Y98Y40-E42 HydrophobicContact CE1-CB 4.02Å; Y40-E42 WeakPolarHBondContact OH-CA 3.27Å; Y40-E48 CarbonylContact O-C 3.55Å; Y40-E48 WeakPolarHBondContact O-CA 3.39Å; Y40-E49 PolarHBondContact N-O 3.03Å; Y40-E49 PolarHBondContact O-N 3.27Å; Y40-R67 PolarHBondContact OH-NH1 3.48Å; Y40-F68 HydrophobicContact CD2-CE2 4.44Å; Y40-F68 AromaticContact CD2-CZ 3.8Å; Y40-F68 HydrophobicContact CD2-CZ 3.8Å; Y40-F68 HydrophobicContact CE2-CZ 4.46Å; Y40-F68 HydrophobicContact CG-CE2 4.04Å; Y40-F68 AromaticContact CG-CZ 3.85Å; Y40-F68 HydrophobicContact CG-CZ 3.85Å; Y40-E95 PolarHBondContact OH-O 2.98Å; Y40-L97 CarbonylContact C-O 3.6Å; Y40-L97 WeakPolarHBondContact CA-O 3.31Å; Y40-Y98 HydrophobicContact CD2-CD2 4.31Å; Y40-Y98 HydrophobicContact CD2-CE1 4.36Å; Y40-Y98 AromaticContact CD2-CE2 3.84Å; Y40-Y98 HydrophobicContact CD2-CE2 3.84Å; Y40-Y98 AromaticContact CD2-CZ 3.88Å; Y40-Y98 HydrophobicContact CE2-CE2 4.14Å
41Q95.6Very high95.1Very high18 Ų1865.9 Ų65.98%0.08434%0.339CS..EExtended strand (participates in β ladder)trans-138.4120.6175.6-155.8-164.917.400108.8T43 L44 N46 E48 L97Q41-T43 WeakPolarHBondContact CG-O 3.28Å; Q41-T43 PolarHBondContact NE2-O 3.49Å; Q41-L44 PolarHBondContact NE2-O 3.49Å; Q41-L44 VanDerWaalsContact NE2-O 3.08Å; Q41-N46 HydrophobicContact CG-CB 4.35Å; Q41-N46 PolarHBondContact NE2-O 3.45Å; Q41-E48 HydrophobicContact CB-CG 4.17Å; Q41-E48 HydrophobicContact CG-CG 4.08Å; Q41-L97 HydrophobicContact CB-CB 4.24Å; Q41-L97 PolarHBondContact N-O 2.91Å; Q41-L97 WeakPolarHBondContact O-CB 3.24Å; Q41-L97 PolarHBondContact O-N 3.2Å
42E93.9Very high95.2Very high95 Ų9560 Ų6044%0.44432%0.318SS..SBendtrans-64.9-46.7-177.5-176.7170.1-122.100112.2Y40 N46 R67Y40-E42 HydrophobicContact CE1-CB 4.02Å; Y40-E42 WeakPolarHBondContact OH-CA 3.27Å; E42-N46 HydrophobicContact CB-CB 4.44Å; E42-N46 PolarHBondContact OE2-ND2 3.47Å; E42-R67 IonicContact OE1-NH2 2.75Å
43T91.4Very high95.3Very high64 Ų6456.7 Ų56.739%0.39330%0.297SS..SBendtrans-139.5164.8169.580.80000109.6Q41 N45 N46Q41-T43 WeakPolarHBondContact CG-O 3.28Å; Q41-T43 PolarHBondContact NE2-O 3.49Å; T43-N45 PolarHBondContact O-N 2.87Å; T43-N45 PolarHBondContact OG1-N 3.03Å; T43-N46 WeakPolarHBondContact CB-OD1 3.33Å; T43-N46 PolarHBondContact N-OD1 3.3Å; T43-N46 WeakPolarHBondContact O-CB 3.16Å; T43-N46 PolarHBondContact O-N 2.89Å; T43-N46 PolarHBondContact OG1-OD1 3.01Å
44L90.4Very high95.4Very high139 Ų13951.7 Ų51.773%0.72828%0.275SS*.THydrogen-bonded Turntrans-54.6-20.1179.4-69170.4000114.8Q41 L97Q41-L44 PolarHBondContact NE2-O 3.49Å; Q41-L44 VanDerWaalsContact NE2-O 3.08Å; L44-L97 HydrophobicContact CD2-CD1 3.52Å; L44-L97 HydrophobicContact CG-CD1 3.91Å
45N91.1Very high95.4Very high159 Ų15954 Ų5485%0.8529%0.287SS*.THydrogen-bonded Turntrans-93.3-12.4-180-63.5-30.7000113.4T43T43-N45 PolarHBondContact O-N 2.87Å; T43-N45 PolarHBondContact OG1-N 3.03Å
46N92.4Very high95.2Very high65 Ų6558.5 Ų58.535%0.34830%0.299SS..SBendtrans-81.2163.1-179.8-68.578.2000111Q41 E42 T43Q41-N46 HydrophobicContact CG-CB 4.35Å; Q41-N46 PolarHBondContact NE2-O 3.45Å; E42-N46 HydrophobicContact CB-CB 4.44Å; E42-N46 PolarHBondContact OE2-ND2 3.47Å; T43-N46 WeakPolarHBondContact CB-OD1 3.33Å; T43-N46 PolarHBondContact N-OD1 3.3Å; T43-N46 WeakPolarHBondContact O-CB 3.16Å; T43-N46 PolarHBondContact O-N 2.89Å; T43-N46 PolarHBondContact OG1-OD1 3.01Å
47T93.6Very high95.1Very high125 Ų12564.8 Ų64.877%0.76733%0.333SS*.PPolyproline II helixtrans-76.2141.3172.4-570000110
48E95.3Very high94.9Very high71 Ų7170.1 Ų70.133%0.33235%0.354SS..PPolyproline II helixtrans-72.6131.7172.8-68.3-171.7-159.800111.5T39 Y40 Q41 Y101T39-E48 WeakPolarHBondContact CB-OE2 3.47Å; T39-E48 PolarHBondContact OG1-OE2 3.41Å; Y40-E48 CarbonylContact O-C 3.55Å; Y40-E48 WeakPolarHBondContact O-CA 3.39Å; Q41-E48 HydrophobicContact CB-CG 4.17Å; Q41-E48 HydrophobicContact CG-CG 4.08Å; E48-Y101 PolarHBondContact OE1-OH 3.44Å; E48-Y101 WeakPolarHBondContact OE2-CE2 3.25Å; E48-Y101 PolarHBondContact OE2-OH 3.24Å
49E94.9Very high94.8Very high97 Ų9770.8 Ų70.845%0.45336%0.361SS..EExtended strand (participates in β ladder)trans-109.4124.9175.5-68.2-175.1-176.300110.7T39 Y40T39-E49 CarbonylContact C-O 3.54Å; T39-E49 WeakPolarHBondContact CA-O 3.25Å; Y40-E49 PolarHBondContact N-O 3.03Å; Y40-E49 PolarHBondContact O-N 3.27Å
50K95.8Very high94.7Very high90 Ų9071.2 Ų71.239%0.39136%0.363SS..EExtended strand (participates in β ladder)trans-79.1131177.5-171.1-175.2-54.8-167.30110.7N37 W38 T39 V63N37-K50 HydrophobicContact CB-CD 4.26Å; N37-K50 HydrophobicContact CB-CG 4.34Å; N37-K50 WeakPolarHBondContact OD1-CD 3.41Å; N37-K50 VanDerWaalsContact OD1-CE 3.28Å; N37-K50 WeakPolarHBondContact OD1-CE 3.23Å; N37-K50 PolarHBondContact OD1-NZ 3.49Å; W38-K50 WeakPolarHBondContact O-CA 3.32Å; W38-K50 WeakPolarHBondContact O-CG 3.28Å; T39-K50 HydrophobicContact CG2-CB 4.21Å; T39-K50 HydrophobicContact CG2-CG 4.45Å; K50-V63 HydrophobicContact CD-CG2 4.08Å; K50-V63 HydrophobicContact CG-CG2 4.14Å
51F96.8Very high94.6Very high4 Ų474 Ų742%0.01838%0.376CS..EExtended strand (participates in β ladder)trans-127.3-9.8179.268-99.8000114.1W38 T39 V63 F68 V72 I85 Y98W38-F51 HydrophobicContact CB-CD1 4.45Å; W38-F51 HydrophobicContact CB-CD2 4.24Å; W38-F51 HydrophobicContact CB-CE1 3.84Å; W38-F51 HydrophobicContact CB-CE2 3.57Å; W38-F51 HydrophobicContact CB-CZ 3.37Å; W38-F51 HydrophobicContact CD2-CZ 4.28Å; W38-F51 HydrophobicContact CE3-CZ 4.2Å; W38-F51 HydrophobicContact CG-CE2 4.16Å; W38-F51 HydrophobicContact CG-CZ 4.01Å; W38-F51 PolarHBondContact O-N 3.36Å; W38-F51 VanDerWaalsContact O-N 3.12Å; T39-F51 VanDerWaalsContact C-CE1 3.49Å; F51-V63 PolarHBondContact O-N 2.93Å; F51-F68 HydrophobicContact CB-CD2 3.67Å; F51-F68 HydrophobicContact CB-CE2 4.04Å; F51-F68 HydrophobicContact CD1-CD2 4.14Å; F51-F68 AromaticContact CD1-CE2 3.65Å; F51-F68 HydrophobicContact CD1-CE2 3.65Å; F51-F68 HydrophobicContact CD1-CZ 4.47Å; F51-F68 HydrophobicContact CD2-CD2 4.4Å; F51-F68 HydrophobicContact CE1-CE2 4.22Å; F51-F68 AromaticContact CG-CD2 3.82Å; F51-F68 HydrophobicContact CG-CD2 3.82Å; F51-F68 AromaticContact CG-CE2 3.83Å; F51-F68 HydrophobicContact CG-CE2 3.83Å; F51-V72 HydrophobicContact CD2-CB 4.43Å; F51-V72 HydrophobicContact CD2-CG1 3.88Å; F51-V72 HydrophobicContact CD2-CG2 4.23Å; F51-V72 HydrophobicContact CE2-CG1 3.83Å; F51-V72 HydrophobicContact CE2-CG2 4.41Å; F51-I85 HydrophobicContact CE2-CD1 3.43Å; F51-I85 VanDerWaalsContact CE2-CD1 3.43Å; F51-I85 HydrophobicContact CZ-CD1 3.64Å; F51-Y98 AromaticContact CE1-CD1 3.91Å; F51-Y98 HydrophobicContact CE1-CD1 3.91Å; F51-Y98 HydrophobicContact CE1-CE1 4.22Å; F51-Y98 AromaticContact CZ-CD1 3.74Å; F51-Y98 HydrophobicContact CZ-CD1 3.74Å; F51-Y98 HydrophobicContact CZ-CE1 4.09Å
52M96.9Very high94.5Very high1 Ų176.9 Ų76.91%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-147.6144.3172.2-174.87358.400109.9N37 W38 M60 P62 V72 F74 I85N37-M52 WeakPolarHBondContact CA-O 3.36Å; W38-M52 HydrophobicContact CB-CB 3.93Å; W38-M52 HydrophobicContact CG-CB 4.32Å; W38-M52 PolarHBondContact N-O 3.43Å; M52-M60 HydrophobicContact CG-CE 3.56Å; M52-M60 HydrophobicContact SD-CE 4.22Å; M52-P62 HydrophobicContact CE-CB 4.11Å; M52-V72 HydrophobicContact CE-CG1 3.64Å; M52-F74 HydrophobicContact SD-CB 4.46Å; M52-I85 HydrophobicContact CE-CG2 4.46Å; M52-I85 HydrophobicContact CG-CG2 4.44Å
53T97.3Very high94.5Very high34 Ų3474.5 Ų74.521%0.20939%0.388CS..EExtended strand (participates in β ladder)trans-149.4165.3177.1-163.80000111.7M36 N37 Q61 V63M36-T53 WeakPolarHBondContact O-CA 3.35Å; M36-T53 PolarHBondContact O-OG1 3.33Å; M36-T53 VanDerWaalsContact O-OG1 3.07Å; N37-T53 PolarHBondContact OD1-OG1 2.91Å; T53-Q61 PolarHBondContact N-O 3.43Å; T53-Q61 PolarHBondContact O-N 3.39Å; T53-V63 HydrophobicContact CG2-CG2 3.79Å
54Y97.6Very high94.2Very high18 Ų1877.6 Ų77.67%0.07141%0.409CS..EExtended strand (participates in β ladder)trans-96.2124.2171176.8-93.7000110.9R31 F34 M36 M60 L78R31-Y54 WeakPolarHBondContact CB-OH 3.35Å; R31-Y54 WeakPolarHBondContact O-CE1 3.34Å; R31-Y54 PolarHBondContact O-OH 2.95Å; F34-Y54 HydrophobicContact CB-CE1 4.41Å; F34-Y54 AromaticContact CD1-CD1 3.62Å; F34-Y54 HydrophobicContact CD1-CD1 3.62Å; F34-Y54 AromaticContact CD1-CD2 3.99Å; F34-Y54 HydrophobicContact CD1-CD2 3.99Å; F34-Y54 AromaticContact CD1-CE1 3.91Å; F34-Y54 HydrophobicContact CD1-CE1 3.91Å; F34-Y54 HydrophobicContact CD1-CE2 4.26Å; F34-Y54 AromaticContact CD1-CG 3.65Å; F34-Y54 HydrophobicContact CD1-CG 3.65Å; F34-Y54 HydrophobicContact CE1-CD1 4.32Å; F34-Y54 HydrophobicContact CE1-CD2 4.08Å; F34-Y54 AromaticContact CE1-CG 3.9Å; F34-Y54 HydrophobicContact CE1-CG 3.9Å; F34-Y54 WeakPolarHBondContact O-CD1 3.35Å; M36-Y54 PolarHBondContact O-N 2.95Å; Y54-M60 HydrophobicContact CD2-SD 4.24Å; Y54-L78 HydrophobicContact CD2-CD1 4.09Å; Y54-L78 HydrophobicContact CE2-CD1 3.81Å
55D95.9Very high93.9Very high56 Ų5671.8 Ų71.830%0.29938%0.38SS..EExtended strand (participates in β ladder)trans-102.3134.8168.3-179.5-90.9000110.3N57 K58 G59 Q61D55-N57 PolarHBondContact O-N 3.39Å; D55-N57 WeakPolarHBondContact OD1-CA 3.48Å; D55-N57 WeakPolarHBondContact OD1-CB 3.44Å; D55-N57 PolarHBondContact OD1-N 2.85Å; D55-K58 HydrophobicContact CB-CB 4.21Å; D55-K58 PolarHBondContact OD1-N 3.2Å; D55-G59 PolarHBondContact N-O 3.49Å; D55-G59 VanDerWaalsContact O-CA 3.25Å; D55-G59 WeakPolarHBondContact O-CA 3.48Å; D55-G59 PolarHBondContact O-N 3.03Å; D55-Q61 HydrophobicContact CB-CG 4Å
56K93.9Very high93.6Very high137 Ų13772.7 Ų72.760%0.59639%0.385SS*.THydrogen-bonded Turntrans-61.9-26.5-176.863.7-179.8-179.6-179.10114.6
57N93.9Very high93.4Very high135 Ų13572.8 Ų72.872%0.72238%0.38SS*.THydrogen-bonded Turntrans-100.3-35.1-176.6-59.9-41.2000111.7D55D55-N57 PolarHBondContact O-N 3.39Å; D55-N57 WeakPolarHBondContact OD1-CA 3.48Å; D55-N57 WeakPolarHBondContact OD1-CB 3.44Å; D55-N57 PolarHBondContact OD1-N 2.85Å
58K94.3Very high93.2Very high151 Ų15167 Ų6766%0.65735%0.345SS*.THydrogen-bonded Turntrans-103.1-10.3-174.3-58-177.8-179.9-1790114D55 Q61D55-K58 HydrophobicContact CB-CB 4.21Å; D55-K58 PolarHBondContact OD1-N 3.2Å; K58-Q61 VanDerWaalsContact CB-CD 3.49Å; K58-Q61 HydrophobicContact CB-CG 3.76Å; K58-Q61 HydrophobicContact CD-CG 4.4Å; K58-Q61 PolarHBondContact O-NE2 3.37Å
59G94.5Very high92.8Very high14 Ų1466.1 Ų66.114%0.14435%0.354CS..EExtended strand (participates in β ladder)trans76.9-145-173.600000112D55 Q61D55-G59 PolarHBondContact N-O 3.49Å; D55-G59 VanDerWaalsContact O-CA 3.25Å; D55-G59 WeakPolarHBondContact O-CA 3.48Å; D55-G59 PolarHBondContact O-N 3.03Å; G59-Q61 PolarHBondContact O-N 2.98Å
60M95.8Very high92.6Very high18 Ų1870.4 Ų70.49%0.08937%0.374CS..EExtended strand (participates in β ladder)trans-66.7127.7177.7-69.6-63.4-70.100110.6M36 M52 Y54 F74 L78M36-M60 HydrophobicContact CE-CE 3.72Å; M36-M60 HydrophobicContact CE-SD 4.41Å; M36-M60 HydrophobicContact CG-CE 4.41Å; M36-M60 HydrophobicContact CG-SD 3.99Å; M36-M60 HydrophobicContact SD-CE 3.47Å; M36-M60 WeakPolarHBondContact SD-CE 3.47Å; M36-M60 HydrophobicContact SD-SD 3.81Å; M52-M60 HydrophobicContact CG-CE 3.56Å; M52-M60 HydrophobicContact SD-CE 4.22Å; Y54-M60 HydrophobicContact CD2-SD 4.24Å; M60-F74 HydrophobicContact CB-CB 3.83Å; M60-F74 HydrophobicContact CB-CD1 3.72Å; M60-F74 HydrophobicContact CB-CD2 3.93Å; M60-F74 HydrophobicContact CB-CE1 4.26Å; M60-F74 HydrophobicContact CB-CE2 4.45Å; M60-F74 HydrophobicContact CB-CG 3.52Å; M60-F74 HydrophobicContact CE-CD2 3.65Å; M60-F74 HydrophobicContact CE-CE2 4Å; M60-F74 HydrophobicContact CE-CG 4.36Å; M60-F74 HydrophobicContact CG-CB 4.49Å; M60-F74 HydrophobicContact CG-CD1 3.83Å; M60-F74 HydrophobicContact CG-CD2 3.64Å; M60-F74 HydrophobicContact CG-CE1 3.87Å; M60-F74 HydrophobicContact CG-CE2 3.69Å; M60-F74 HydrophobicContact CG-CG 3.7Å; M60-F74 HydrophobicContact CG-CZ 3.8Å; M60-F74 HydrophobicContact SD-CD2 4.45Å; M60-F74 HydrophobicContact SD-CE2 4.45Å; M60-L78 HydrophobicContact CG-CD1 4.25Å; M60-L78 HydrophobicContact CG-CD2 4.39Å; M60-L78 HydrophobicContact CG-CG 4.46Å; M60-L78 HydrophobicContact SD-CD2 4.44Å
61Q95Very high92.6Very high64 Ų6468 Ų6830%0.29936%0.363SS..EExtended strand (participates in β ladder)trans-133.6131.9-175.4-65.6-64.8-78.800111T53 D55 K58 G59T53-Q61 PolarHBondContact N-O 3.43Å; T53-Q61 PolarHBondContact O-N 3.39Å; D55-Q61 HydrophobicContact CB-CG 4Å; K58-Q61 VanDerWaalsContact CB-CD 3.49Å; K58-Q61 HydrophobicContact CB-CG 3.76Å; K58-Q61 HydrophobicContact CD-CG 4.4Å; K58-Q61 PolarHBondContact O-NE2 3.37Å; G59-Q61 PolarHBondContact O-N 2.98Å
62P94.1Very high92.6Very high78 Ų7868.4 Ų68.451%0.50637%0.365SS..EExtended strand (participates in β ladder)trans-65.5143.5170.329.2-33.3000109.6M52M52-P62 HydrophobicContact CE-CB 4.11Å
63V93.3Very high92.6Very high45 Ų4571.3 Ų71.327%0.27338%0.383SS..PPolyproline II helixtrans-101.4124.2170.8179.30000106.7K50 F51 T53 S65K50-V63 HydrophobicContact CD-CG2 4.08Å; K50-V63 HydrophobicContact CG-CG2 4.14Å; F51-V63 PolarHBondContact O-N 2.93Å; T53-V63 HydrophobicContact CG2-CG2 3.79Å; V63-S65 PolarHBondContact O-N 3.36Å; V63-S65 VanDerWaalsContact O-N 3.1Å
64P85.6Confident92.6Very high129 Ų12972.5 Ų72.584%0.83839%0.385SS*.PPolyproline II helixtrans-52.9120.3179.1-27.234.7000111.2
65S83.3Confident92.5Very high16 Ų1674.1 Ų74.111%0.11240%0.399CS..  trans-132.6138174.1168.20000108.2V63 R67 G69V63-S65 PolarHBondContact O-N 3.36Å; V63-S65 VanDerWaalsContact O-N 3.1Å; S65-R67 PolarHBondContact O-N 3.04Å; S65-R67 PolarHBondContact OG-N 3.45Å; S65-G69 PolarHBondContact O-N 2.92Å; S65-G69 VanDerWaalsContact O-N 3.14Å
66N85.2Confident92.6Very high178 Ų17872.2 Ų72.295%0.95239%0.393SS*.THydrogen-bonded Turntrans-64.4-20.9177.9-71.8-13.1000112.6
67R88.3Confident92.7Very high67 Ų6768.8 Ų68.825%0.25338%0.381SS..THydrogen-bonded Turntrans-77.5-50.3-178.3-178.8175-62.2-912.1112.6Y40 E42 S65 R71 E93Y40-R67 PolarHBondContact OH-NH1 3.48Å; E42-R67 IonicContact OE1-NH2 2.75Å; S65-R67 PolarHBondContact O-N 3.04Å; S65-R67 PolarHBondContact OG-N 3.45Å; R67-R71 PolarHBondContact O-NH2 3.06Å; R67-E93 PolarHBondContact NH1-O 2.95Å
68F90.3Very high92.7Very high5 Ų563.4 Ų63.42%0.02235%0.352CS..THydrogen-bonded Turntrans-93.7-22.5-170.7-62.1-61.7000113.3Y40 F51 E70 R71 V72 L87 D94 Y98Y40-F68 HydrophobicContact CD2-CE2 4.44Å; Y40-F68 AromaticContact CD2-CZ 3.8Å; Y40-F68 HydrophobicContact CD2-CZ 3.8Å; Y40-F68 HydrophobicContact CE2-CZ 4.46Å; Y40-F68 HydrophobicContact CG-CE2 4.04Å; Y40-F68 AromaticContact CG-CZ 3.85Å; Y40-F68 HydrophobicContact CG-CZ 3.85Å; F51-F68 HydrophobicContact CB-CD2 3.67Å; F51-F68 HydrophobicContact CB-CE2 4.04Å; F51-F68 HydrophobicContact CD1-CD2 4.14Å; F51-F68 AromaticContact CD1-CE2 3.65Å; F51-F68 HydrophobicContact CD1-CE2 3.65Å; F51-F68 HydrophobicContact CD1-CZ 4.47Å; F51-F68 HydrophobicContact CD2-CD2 4.4Å; F51-F68 HydrophobicContact CE1-CE2 4.22Å; F51-F68 AromaticContact CG-CD2 3.82Å; F51-F68 HydrophobicContact CG-CD2 3.82Å; F51-F68 AromaticContact CG-CE2 3.83Å; F51-F68 HydrophobicContact CG-CE2 3.83Å; F68-E70 PolarHBondContact O-N 3Å; F68-R71 VanDerWaalsContact O-CB 3.29Å; F68-R71 WeakPolarHBondContact O-CB 3.36Å; F68-R71 WeakPolarHBondContact O-CG 3.46Å; F68-R71 PolarHBondContact O-N 3.47Å; F68-R71 PolarHBondContact O-NE 3.36Å; F68-V72 HydrophobicContact CB-CG2 3.72Å; F68-V72 HydrophobicContact CD1-CG2 3.92Å; F68-V72 HydrophobicContact CD2-CG2 4.48Å; F68-V72 HydrophobicContact CG-CG2 3.78Å; F68-L87 HydrophobicContact CD1-CD1 3.9Å; F68-L87 HydrophobicContact CE1-CD1 4.36Å; F68-D94 WeakPolarHBondContact CE1-OD1 3.33Å; F68-Y98 HydrophobicContact CE1-CE1 4.19Å; F68-Y98 VanDerWaalsContact CE1-OH 3.29Å; F68-Y98 WeakPolarHBondContact CE1-OH 3.18Å; F68-Y98 AromaticContact CZ-CE1 3.88Å; F68-Y98 HydrophobicContact CZ-CE1 3.88Å; F68-Y98 AromaticContact CZ-CZ 3.95Å
69G86.7Confident92.6Very high52 Ų5262.8 Ų62.854%0.53635%0.352SS..THydrogen-bonded Turntrans53.6-123.6-174.800000111S65S65-G69 PolarHBondContact O-N 2.92Å; S65-G69 VanDerWaalsContact O-N 3.14Å
70E91.3Very high92.7Very high186 Ų18669.5 Ų69.587%0.86938%0.377SS*.THydrogen-bonded Turntrans-100.56.9178.1-59.4-173.8166.500113.5F68 V72F68-E70 PolarHBondContact O-N 3Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 3.07Å
71R95.6Very high92.7Very high41 Ų4170.5 Ų70.516%0.15538%0.383CS..  trans-75.5-18.7-171.6-62.8-177-61.1111.6-3114.3R67 F68 L87 Q88 D89 D94R67-R71 PolarHBondContact O-NH2 3.06Å; F68-R71 VanDerWaalsContact O-CB 3.29Å; F68-R71 WeakPolarHBondContact O-CB 3.36Å; F68-R71 WeakPolarHBondContact O-CG 3.46Å; F68-R71 PolarHBondContact O-N 3.47Å; F68-R71 PolarHBondContact O-NE 3.36Å; R71-L87 HydrophobicContact CB-CD1 4.24Å; R71-Q88 HydrophobicContact CB-CB 4.39Å; R71-Q88 WeakPolarHBondContact CB-O 3.1Å; R71-Q88 WeakPolarHBondContact CD-O 3.47Å; R71-Q88 PolarHBondContact NH1-O 3.26Å; R71-Q88 VanDerWaalsContact NH1-O 3.13Å; R71-Q88 PolarHBondContact O-N 3.26Å; R71-D89 PolarHBondContact NH1-O 2.96Å; R71-D94 IonicContact CZ-OD1 3.15Å; R71-D94 IonicContact CZ-OD2 3.77Å; R71-D94 IonicContact NH1-OD1 3.68Å; R71-D94 IonicContact NH1-OD2 3.4Å; R71-D94 PolarHBondContact NH1-OD2 3.13Å; R71-D94 IonicContact NH2-OD1 2.66Å; R71-D94 PolarHBondContact NH2-OD1 3.49Å; R71-D94 IonicContact NH2-OD2 3.71Å; R71-D94 PolarHBondContact NH2-OD2 3.04Å
72V96.1Very high92.9Very high11 Ų1169.4 Ų69.47%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-93.2121.5179.11780000110.2F51 M52 F68 E70 I85 T86 L87F51-V72 HydrophobicContact CD2-CB 4.43Å; F51-V72 HydrophobicContact CD2-CG1 3.88Å; F51-V72 HydrophobicContact CD2-CG2 4.23Å; F51-V72 HydrophobicContact CE2-CG1 3.83Å; F51-V72 HydrophobicContact CE2-CG2 4.41Å; M52-V72 HydrophobicContact CE-CG1 3.64Å; F68-V72 HydrophobicContact CB-CG2 3.72Å; F68-V72 HydrophobicContact CD1-CG2 3.92Å; F68-V72 HydrophobicContact CD2-CG2 4.48Å; F68-V72 HydrophobicContact CG-CG2 3.78Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 3.07Å; V72-I85 HydrophobicContact CG1-CB 4.27Å; V72-I85 HydrophobicContact CG1-CD1 4.17Å; V72-T86 WeakPolarHBondContact CA-O 3.4Å; V72-L87 HydrophobicContact CG2-CD1 3.61Å
73V96.2Very high93.1Very high63 Ų6365.7 Ų65.738%0.38236%0.355SS..EExtended strand (participates in β ladder)trans-124.6140.4179.9-176.70000109.7S75 I85 T86V73-S75 PolarHBondContact O-N 3.23Å; V73-I85 CarbonylContact O-C 3.56Å; V73-I85 WeakPolarHBondContact O-CA 3.27Å; V73-T86 PolarHBondContact N-O 3.13Å; V73-T86 PolarHBondContact O-N 3.44Å
74F97.1Very high93.3Very high58 Ų5864 Ų6425%0.25435%0.345SS..EExtended strand (participates in β ladder)trans-71.6126.2170.2175.9-111.7000110.5M52 M60 G76 L78 S84M52-F74 HydrophobicContact SD-CB 4.46Å; M60-F74 HydrophobicContact CB-CB 3.83Å; M60-F74 HydrophobicContact CB-CD1 3.72Å; M60-F74 HydrophobicContact CB-CD2 3.93Å; M60-F74 HydrophobicContact CB-CE1 4.26Å; M60-F74 HydrophobicContact CB-CE2 4.45Å; M60-F74 HydrophobicContact CB-CG 3.52Å; M60-F74 HydrophobicContact CE-CD2 3.65Å; M60-F74 HydrophobicContact CE-CE2 4Å; M60-F74 HydrophobicContact CE-CG 4.36Å; M60-F74 HydrophobicContact CG-CB 4.49Å; M60-F74 HydrophobicContact CG-CD1 3.83Å; M60-F74 HydrophobicContact CG-CD2 3.64Å; M60-F74 HydrophobicContact CG-CE1 3.87Å; M60-F74 HydrophobicContact CG-CE2 3.69Å; M60-F74 HydrophobicContact CG-CG 3.7Å; M60-F74 HydrophobicContact CG-CZ 3.8Å; M60-F74 HydrophobicContact SD-CD2 4.45Å; M60-F74 HydrophobicContact SD-CE2 4.45Å; F74-G76 VanDerWaalsContact CE1-O 3.27Å; F74-G76 WeakPolarHBondContact CE1-O 3.44Å; F74-G76 VanDerWaalsContact CZ-O 3.28Å; F74-G76 WeakPolarHBondContact CZ-O 3.4Å; F74-L78 HydrophobicContact CZ-CG 4.21Å; F74-S84 VanDerWaalsContact CD2-O 3.31Å; F74-S84 WeakPolarHBondContact CD2-O 3.06Å
75S97.3Very high93.9Very high52 Ų5257.9 Ų57.936%0.36431%0.305SS..  trans-1280.1-177.854.50000114.1V73 S84 T86V73-S75 PolarHBondContact O-N 3.23Å; S75-S84 PolarHBondContact N-O 2.95Å; S75-S84 VanDerWaalsContact N-O 3.07Å; S75-T86 WeakPolarHBondContact CB-OG1 3.47Å; S75-T86 PolarHBondContact OG-N 3.5Å; S75-T86 PolarHBondContact OG-OG1 2.78Å
76G97.1Very high94.6Very high16 Ų1658 Ų5817%0.16531%0.305CS..SBendtrans-79.6-171.9176.500000114.5F74 D82 S84F74-G76 VanDerWaalsContact CE1-O 3.27Å; F74-G76 WeakPolarHBondContact CE1-O 3.44Å; F74-G76 VanDerWaalsContact CZ-O 3.28Å; F74-G76 WeakPolarHBondContact CZ-O 3.4Å; G76-D82 CarbonylContact C-O 3.53Å; G76-S84 PolarHBondContact N-O 3.48Å
77N96.2Very high95.2Very high65 Ų6549.5 Ų49.535%0.34826%0.26SS..  trans-134.2105177.5-175.5-21.6000111E79 K80 N81 D82N77-E79 VanDerWaalsContact C-N 3.26Å; N77-E79 PolarHBondContact O-N 2.93Å; N77-E79 WeakPolarHBondContact OD1-CB 3.35Å; N77-E79 PolarHBondContact OD1-N 3Å; N77-K80 HydrophobicContact CB-CB 4.31Å; N77-K80 HydrophobicContact CB-CG 4.49Å; N77-K80 CarbonylContact O-C 3.57Å; N77-K80 WeakPolarHBondContact O-CA 3.39Å; N77-K80 PolarHBondContact O-N 3.03Å; N77-N81 PolarHBondContact O-N 2.95Å; N77-D82 CarbonylContact C-O 3.58Å; N77-D82 HydrophobicContact CB-CB 4.36Å; N77-D82 PolarHBondContact N-O 2.89Å; N77-D82 WeakPolarHBondContact O-CB 3.31Å; N77-D82 PolarHBondContact O-N 3.4Å
78L94.1Very high95.6Very high22 Ų2250.5 Ų50.512%0.11527%0.267CS..G310 helixtrans-55.9-36.5-179.6-72.4171.2000113.4I29 F34 Y54 M60 F74 K80 N81 L83I29-L78 HydrophobicContact CD1-CB 4.5Å; I29-L78 WeakPolarHBondContact CD1-O 3.38Å; F34-L78 HydrophobicContact CE1-CD2 4.07Å; F34-L78 HydrophobicContact CZ-CD2 4.45Å; Y54-L78 HydrophobicContact CD2-CD1 4.09Å; Y54-L78 HydrophobicContact CE2-CD1 3.81Å; M60-L78 HydrophobicContact CG-CD1 4.25Å; M60-L78 HydrophobicContact CG-CD2 4.39Å; M60-L78 HydrophobicContact CG-CG 4.46Å; M60-L78 HydrophobicContact SD-CD2 4.44Å; F74-L78 HydrophobicContact CZ-CG 4.21Å; L78-K80 PolarHBondContact O-N 3.47Å; L78-N81 PolarHBondContact O-N 2.95Å; L78-L83 HydrophobicContact CD2-CD2 3.52Å
79E92.3Very high95.9Very high138 Ų13854.2 Ų54.265%0.64529%0.288SS*.G310 helixtrans-68.3-18.9179.9-60.8-61.8148.400112.6R31 N77R31-E79 IonicContact CZ-OE1 2.7Å; R31-E79 IonicContact NH2-OE1 3.53Å; R31-E79 PolarHBondContact NH2-OE1 3.38Å; N77-E79 VanDerWaalsContact C-N 3.26Å; N77-E79 PolarHBondContact O-N 2.93Å; N77-E79 WeakPolarHBondContact OD1-CB 3.35Å; N77-E79 PolarHBondContact OD1-N 3Å
80K95.8Very high96.4Very high156 Ų15651.8 Ų51.868%0.67826%0.262SS*.G310 helixtrans-104.513.8174.3-62.6-173.7179.2-177.90112.5N77 L78 D82N77-K80 HydrophobicContact CB-CB 4.31Å; N77-K80 HydrophobicContact CB-CG 4.49Å; N77-K80 CarbonylContact O-C 3.57Å; N77-K80 WeakPolarHBondContact O-CA 3.39Å; N77-K80 PolarHBondContact O-N 3.03Å; L78-K80 PolarHBondContact O-N 3.47Å; K80-D82 PolarHBondContact O-N 3.33Å
81N96.8Very high96.7Very high39 Ų3945.4 Ų45.421%0.20923%0.233CC..THydrogen-bonded Turntrans5823.9-174.7-52.5-18.7000113.8T22 F23 N77 L78T22-N81 WeakPolarHBondContact CA-O 3.41Å; F23-N81 HydrophobicContact CD1-CB 3.71Å; F23-N81 VanDerWaalsContact CD1-O 3.27Å; F23-N81 WeakPolarHBondContact CD1-O 3.4Å; F23-N81 HydrophobicContact CD2-CB 4.3Å; F23-N81 HydrophobicContact CE1-CB 3.53Å; F23-N81 HydrophobicContact CE2-CB 4.15Å; F23-N81 HydrophobicContact CG-CB 4.12Å; F23-N81 HydrophobicContact CZ-CB 3.77Å; F23-N81 PolarHBondContact N-O 2.98Å; F23-N81 WeakPolarHBondContact O-CB 3.44Å; F23-N81 PolarHBondContact O-ND2 3.33Å; N77-N81 PolarHBondContact O-N 2.95Å; L78-N81 PolarHBondContact O-N 2.95Å
82D97.9Very high96.7Very high41 Ų4147.5 Ų47.522%0.21925%0.246CC..BIsolated β-bridgetrans-95.4117-179.1176.67.7000109.4G76 N77 K80 S84G76-D82 CarbonylContact C-O 3.53Å; N77-D82 CarbonylContact C-O 3.58Å; N77-D82 HydrophobicContact CB-CB 4.36Å; N77-D82 PolarHBondContact N-O 2.89Å; N77-D82 WeakPolarHBondContact O-CB 3.31Å; N77-D82 PolarHBondContact O-N 3.4Å; K80-D82 PolarHBondContact O-N 3.33Å; D82-S84 WeakPolarHBondContact OD1-CB 3.46Å; D82-S84 PolarHBondContact OD1-N 2.87Å; D82-S84 PolarHBondContact OD1-OG 3.09Å
83L98.1Very high96.6Very high0 Ų052.7 Ų52.70%027%0.27CS..  trans-110.916.4-173.7-58.8-177.6000112.1C21 F23 F34 M36 W38 L78 V102C21-L83 HydrophobicContact CB-CB 4.2Å; C21-L83 CarbonylContact O-C 3.49Å; C21-L83 WeakPolarHBondContact O-CA 3.46Å; C21-L83 PolarHBondContact O-N 3.02Å; F23-L83 HydrophobicContact CD1-CD1 3.56Å; F23-L83 HydrophobicContact CD1-CG 3.93Å; F23-L83 HydrophobicContact CE1-CD1 3.95Å; F23-L83 HydrophobicContact CE1-CD2 4.24Å; F23-L83 HydrophobicContact CE1-CG 4.14Å; F34-L83 HydrophobicContact CZ-CD1 4.43Å; F34-L83 HydrophobicContact CZ-CD2 4.08Å; M36-L83 HydrophobicContact CB-CD1 4.43Å; M36-L83 HydrophobicContact CE-CB 3.71Å; M36-L83 HydrophobicContact CE-CD1 3.71Å; M36-L83 HydrophobicContact CE-CD2 4.12Å; M36-L83 HydrophobicContact CE-CG 4.05Å; W38-L83 PolarHBondContact NE1-O 3.05Å; L78-L83 HydrophobicContact CD2-CD2 3.52Å; L83-V102 HydrophobicContact CD1-CB 4.22Å; L83-V102 HydrophobicContact CD1-CG1 3.71Å; L83-V102 HydrophobicContact CD1-CG2 3.37Å
84S98.4Very high96.6Very high9 Ų949.8 Ų49.86%0.06325%0.252CS..  trans-59.6146.6-176.9-56.30000112.6I19 P20 C21 F74 S75 G76 D82I19-S84 WeakPolarHBondContact O-CA 3.38Å; P20-S84 WeakPolarHBondContact CA-OG 3.19Å; C21-S84 PolarHBondContact N-OG 3.25Å; C21-S84 PolarHBondContact O-N 2.97Å; F74-S84 VanDerWaalsContact CD2-O 3.31Å; F74-S84 WeakPolarHBondContact CD2-O 3.06Å; S75-S84 PolarHBondContact N-O 2.95Å; S75-S84 VanDerWaalsContact N-O 3.07Å; G76-S84 PolarHBondContact N-O 3.48Å; D82-S84 WeakPolarHBondContact OD1-CB 3.46Å; D82-S84 PolarHBondContact OD1-N 2.87Å; D82-S84 PolarHBondContact OD1-OG 3.09Å
85I98Very high96.6Very high0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-122.2155.1175.459.5174.3000109.5T18 I19 W38 F51 M52 V72 V73T18-I85 CarbonylContact C-O 3.5Å; T18-I85 WeakPolarHBondContact CA-O 3.39Å; I19-I85 HydrophobicContact CB-CD1 4.43Å; I19-I85 HydrophobicContact CB-CG1 3.88Å; I19-I85 HydrophobicContact CD1-CD1 4.22Å; I19-I85 HydrophobicContact CD1-CG1 4.42Å; I19-I85 PolarHBondContact N-O 2.74Å; I19-I85 PolarHBondContact O-N 3.41Å; I19-I85 VanDerWaalsContact O-N 3.17Å; W38-I85 HydrophobicContact CD2-CD1 4.08Å; W38-I85 HydrophobicContact CE3-CD1 4.41Å; W38-I85 HydrophobicContact CG-CD1 4.33Å; W38-I85 HydrophobicContact CZ2-CD1 4.45Å; W38-I85 HydrophobicContact CZ2-CG1 4.25Å; F51-I85 HydrophobicContact CE2-CD1 3.43Å; F51-I85 VanDerWaalsContact CE2-CD1 3.43Å; F51-I85 HydrophobicContact CZ-CD1 3.64Å; M52-I85 HydrophobicContact CE-CG2 4.46Å; M52-I85 HydrophobicContact CG-CG2 4.44Å; V72-I85 HydrophobicContact CG1-CB 4.27Å; V72-I85 HydrophobicContact CG1-CD1 4.17Å; V73-I85 CarbonylContact O-C 3.56Å; V73-I85 WeakPolarHBondContact O-CA 3.27Å
86T97.9Very high96.5Very high19 Ų1948.5 Ų48.512%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-111.7126.1171-64.40000108.5T16 V17 T18 V72 V73 S75 Q88T16-T86 HydrophobicContact CG2-CG2 3.32Å; V17-T86 CarbonylContact O-C 3.59Å; V17-T86 WeakPolarHBondContact O-CA 3.26Å; T18-T86 PolarHBondContact OG1-OG1 2.95Å; V72-T86 WeakPolarHBondContact CA-O 3.4Å; V73-T86 PolarHBondContact N-O 3.13Å; V73-T86 PolarHBondContact O-N 3.44Å; S75-T86 WeakPolarHBondContact CB-OG1 3.47Å; S75-T86 PolarHBondContact OG-N 3.5Å; S75-T86 PolarHBondContact OG-OG1 2.78Å; T86-Q88 HydrophobicContact CG2-CG 4.34Å
87L97.6Very high96.6Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-101.2115.9171.6179.662.8000107.9T16 V17 I19 F68 R71 V72 V90 D94 F117T16-L87 WeakPolarHBondContact CA-O 3.23Å; V17-L87 HydrophobicContact CG1-CB 4.2Å; V17-L87 PolarHBondContact N-O 3.15Å; V17-L87 PolarHBondContact O-N 3.42Å; I19-L87 HydrophobicContact CD1-CB 4.41Å; F68-L87 HydrophobicContact CD1-CD1 3.9Å; F68-L87 HydrophobicContact CE1-CD1 4.36Å; R71-L87 HydrophobicContact CB-CD1 4.24Å; V72-L87 HydrophobicContact CG2-CD1 3.61Å; L87-V90 HydrophobicContact CD2-CG2 4Å; L87-V90 HydrophobicContact CG-CG2 4.01Å; L87-D94 HydrophobicContact CD2-CB 4.01Å; L87-F117 HydrophobicContact CD2-CE1 4.29Å; L87-F117 HydrophobicContact CD2-CZ 4.14Å
88Q97.6Very high96.7Very high87 Ų8745.9 Ų45.941%0.40722%0.224SC..  trans-90.1152.8177.7-60.1178.819.500110.5T16 R71 T86 V90T16-Q88 HydrophobicContact CG2-CG 4.03Å; R71-Q88 HydrophobicContact CB-CB 4.39Å; R71-Q88 WeakPolarHBondContact CB-O 3.1Å; R71-Q88 WeakPolarHBondContact CD-O 3.47Å; R71-Q88 PolarHBondContact NH1-O 3.26Å; R71-Q88 VanDerWaalsContact NH1-O 3.13Å; R71-Q88 PolarHBondContact O-N 3.26Å; T86-Q88 HydrophobicContact CG2-CG 4.34Å; Q88-V90 VanDerWaalsContact C-N 3.34Å; Q88-V90 PolarHBondContact O-N 2.88Å
89D96.9Very high96.9Very high84 Ų8445.2 Ų45.245%0.44922%0.22SC..SBendtrans45.359.4175.3-17232.4000111.5T15 R71 Q91T15-D89 PolarHBondContact O-N 3.08Å; R71-D89 PolarHBondContact NH1-O 2.96Å; D89-Q91 PolarHBondContact O-N 3.03Å; D89-Q91 PolarHBondContact O-NE2 2.92Å; D89-Q91 PolarHBondContact OD1-NE2 2.63Å; D89-Q91 PolarHBondContact OD2-NE2 2.92Å
90V97.3Very high97.1Very high0 Ų038.7 Ų38.70%019%0.19CC..  trans-56.8126.9-177.1171.80000109.5A11 N13 G14 T15 V17 L87 Q88 F117 V119A11-V90 HydrophobicContact CB-CG1 4.06Å; A11-V90 HydrophobicContact CB-CG2 4.27Å; N13-V90 CarbonylContact C-O 3.56Å; N13-V90 PolarHBondContact OD1-O 2.83Å; G14-V90 PolarHBondContact N-O 3.4Å; T15-V90 VanDerWaalsContact O-CG2 3.31Å; T15-V90 WeakPolarHBondContact O-CG2 3.36Å; T15-V90 PolarHBondContact O-N 3.37Å; V17-V90 HydrophobicContact CG1-CG2 3.73Å; L87-V90 HydrophobicContact CD2-CG2 4Å; L87-V90 HydrophobicContact CG-CG2 4.01Å; Q88-V90 VanDerWaalsContact C-N 3.34Å; Q88-V90 PolarHBondContact O-N 2.88Å; V90-F117 HydrophobicContact CG1-CE1 4.09Å; V90-F117 HydrophobicContact CG1-CZ 4.24Å; V90-F117 HydrophobicContact CG2-CZ 4.34Å; V90-V119 HydrophobicContact CG1-CB 4.37Å; V90-V119 HydrophobicContact CG1-CG1 3.74Å; V90-V119 HydrophobicContact CG1-CG2 3.67Å
91Q96.5Very high97.3Very high53 Ų5333.2 Ų33.225%0.24817%0.165CC..  trans-106.7159.8176.6-57-55.4-49.200110.9N13 D89 E93 D94 V119N13-Q91 WeakPolarHBondContact OD1-CA 3.05Å; D89-Q91 PolarHBondContact O-N 3.03Å; D89-Q91 PolarHBondContact O-NE2 2.92Å; D89-Q91 PolarHBondContact OD1-NE2 2.63Å; D89-Q91 PolarHBondContact OD2-NE2 2.92Å; Q91-E93 WeakPolarHBondContact CB-OE2 3.44Å; Q91-E93 PolarHBondContact O-N 3.31Å; Q91-D94 PolarHBondContact N-OD2 3.21Å; Q91-D94 VanDerWaalsContact O-CB 3.29Å; Q91-D94 WeakPolarHBondContact O-CB 3.29Å; Q91-D94 PolarHBondContact O-N 2.92Å; Q91-V119 WeakPolarHBondContact O-CG2 3.19Å
92L95.6Very high97.3Very high85 Ų8531.3 Ų31.345%0.44516%0.155SC..G310 helixtrans-58.1-31.9176.6-65.5173.7000112.3N13 D94 E95 V119 T121N13-L92 PolarHBondContact OD1-N 3.47Å; L92-D94 PolarHBondContact O-N 2.53Å; L92-E95 WeakPolarHBondContact O-CB 3.14Å; L92-E95 PolarHBondContact O-N 3.3Å; L92-V119 HydrophobicContact CD2-CB 4.31Å; L92-V119 HydrophobicContact CD2-CG1 3.92Å; L92-T121 HydrophobicContact CD2-CG2 4.08Å
93E94.4Very high97.3Very high120 Ų12036.6 Ų36.656%0.56117%0.172SC*.G310 helixtrans-73.8-7.1177.9-5177.9-123.300113.4R67 Q91R67-E93 PolarHBondContact NH1-O 2.95Å; Q91-E93 WeakPolarHBondContact CB-OE2 3.44Å; Q91-E93 PolarHBondContact O-N 3.31Å
94D95.9Very high97.2Very high2 Ų236.6 Ų36.61%0.01117%0.172CC..G310 helixtrans-80.7-5.6174-64.7-35.5000112.5F68 R71 L87 Q91 L92 G96 Y98 F117F68-D94 WeakPolarHBondContact CE1-OD1 3.33Å; R71-D94 IonicContact CZ-OD1 3.15Å; R71-D94 IonicContact CZ-OD2 3.77Å; R71-D94 IonicContact NH1-OD1 3.68Å; R71-D94 IonicContact NH1-OD2 3.4Å; R71-D94 PolarHBondContact NH1-OD2 3.13Å; R71-D94 IonicContact NH2-OD1 2.66Å; R71-D94 PolarHBondContact NH2-OD1 3.49Å; R71-D94 IonicContact NH2-OD2 3.71Å; R71-D94 PolarHBondContact NH2-OD2 3.04Å; L87-D94 HydrophobicContact CD2-CB 4.01Å; Q91-D94 PolarHBondContact N-OD2 3.21Å; Q91-D94 VanDerWaalsContact O-CB 3.29Å; Q91-D94 WeakPolarHBondContact O-CB 3.29Å; Q91-D94 PolarHBondContact O-N 2.92Å; L92-D94 PolarHBondContact O-N 2.53Å; D94-G96 PolarHBondContact O-N 3.23Å; D94-Y98 WeakPolarHBondContact O-CE2 3.3Å; D94-Y98 PolarHBondContact O-OH 2.63Å; D94-F117 HydrophobicContact CB-CE1 4.43Å
95E96.6Very high97.1Very high79 Ų7937.5 Ų37.537%0.36918%0.177SC..  trans-60.2129.9172.8174.5166.3155.600111.3Y40 L92 F117 K118 V119Y40-E95 PolarHBondContact OH-O 2.98Å; L92-E95 WeakPolarHBondContact O-CB 3.14Å; L92-E95 PolarHBondContact O-N 3.3Å; E95-F117 WeakPolarHBondContact CA-O 3.3Å; E95-K118 VanDerWaalsContact CD-CD 3.4Å; E95-K118 HydrophobicContact CG-CD 3.79Å; E95-K118 VanDerWaalsContact OE1-CD 3.28Å; E95-K118 WeakPolarHBondContact OE1-CD 3.16Å; E95-K118 WeakPolarHBondContact OE1-CE 3.33Å; E95-K118 IonicContact OE1-NZ 3.75Å; E95-K118 PolarHBondContact OE1-NZ 2.89Å; E95-V119 HydrophobicContact CB-CG2 4.29Å
96G96.8Very high97Very high3 Ų341.3 Ų41.33%0.03120%0.202CC..EExtended strand (participates in β ladder)trans161.5-164.617800000112.9D94 F117D94-G96 PolarHBondContact O-N 3.23Å; G96-F117 PolarHBondContact N-O 2.66Å; G96-F117 WeakPolarHBondContact O-CB 3.49Å; G96-F117 PolarHBondContact O-N 2.77Å
97L98Very high96.9Very high27 Ų2741.7 Ų41.714%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-97.6125.8179.9-56.7175.8000110.3Y40 Q41 L44 I115 D116Y40-L97 CarbonylContact C-O 3.6Å; Y40-L97 WeakPolarHBondContact CA-O 3.31Å; Q41-L97 HydrophobicContact CB-CB 4.24Å; Q41-L97 PolarHBondContact N-O 2.91Å; Q41-L97 WeakPolarHBondContact O-CB 3.24Å; Q41-L97 PolarHBondContact O-N 3.2Å; L44-L97 HydrophobicContact CD2-CD1 3.52Å; L44-L97 HydrophobicContact CG-CD1 3.91Å; L97-I115 WeakPolarHBondContact CA-O 3.49Å; L97-D116 HydrophobicContact CD2-CB 4.13Å
98Y97.9Very high96.6Very high0 Ų053.5 Ų53.50%025%0.248CC..EExtended strand (participates in β ladder)trans-108.9126176.7-69.7-112.7000108.8I19 T39 Y40 F51 F68 D94 V114 I115 F117I19-Y98 HydrophobicContact CD1-CD1 3.99Å; I19-Y98 HydrophobicContact CD1-CE1 3.95Å; T39-Y98 WeakPolarHBondContact O-CA 3.42Å; Y40-Y98 HydrophobicContact CD2-CD2 4.31Å; Y40-Y98 HydrophobicContact CD2-CE1 4.36Å; Y40-Y98 AromaticContact CD2-CE2 3.84Å; Y40-Y98 HydrophobicContact CD2-CE2 3.84Å; Y40-Y98 AromaticContact CD2-CZ 3.88Å; Y40-Y98 HydrophobicContact CE2-CE2 4.14Å; F51-Y98 AromaticContact CE1-CD1 3.91Å; F51-Y98 HydrophobicContact CE1-CD1 3.91Å; F51-Y98 HydrophobicContact CE1-CE1 4.22Å; F51-Y98 AromaticContact CZ-CD1 3.74Å; F51-Y98 HydrophobicContact CZ-CD1 3.74Å; F51-Y98 HydrophobicContact CZ-CE1 4.09Å; F68-Y98 HydrophobicContact CE1-CE1 4.19Å; F68-Y98 VanDerWaalsContact CE1-OH 3.29Å; F68-Y98 WeakPolarHBondContact CE1-OH 3.18Å; F68-Y98 AromaticContact CZ-CE1 3.88Å; F68-Y98 HydrophobicContact CZ-CE1 3.88Å; F68-Y98 AromaticContact CZ-CZ 3.95Å; D94-Y98 WeakPolarHBondContact O-CE2 3.3Å; D94-Y98 PolarHBondContact O-OH 2.63Å; Y98-V114 WeakPolarHBondContact O-CA 3.48Å; Y98-I115 PolarHBondContact N-O 3.02Å; Y98-I115 PolarHBondContact O-N 3.41Å; Y98-F117 HydrophobicContact CD2-CB 3.48Å; Y98-F117 VanDerWaalsContact CD2-CB 3.48Å; Y98-F117 HydrophobicContact CD2-CG 4.13Å; Y98-F117 HydrophobicContact CE2-CB 3.48Å; Y98-F117 VanDerWaalsContact CE2-CB 3.48Å; Y98-F117 AromaticContact CE2-CD1 3.91Å; Y98-F117 HydrophobicContact CE2-CD1 3.91Å; Y98-F117 AromaticContact CE2-CG 3.76Å; Y98-F117 HydrophobicContact CE2-CG 3.76Å
99H98.1Very high96.3Very high8 Ų854.9 Ų54.94%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-113.7129.2-177.5-52.4-105.7000110.6W38 T39 Y101 H112 G113W38-H99 VanDerWaalsContact CA-O 3.29Å; W38-H99 WeakPolarHBondContact CA-O 3.45Å; W38-H99 VanDerWaalsContact CE3-O 3.28Å; T39-H99 PolarHBondContact N-O 2.89Å; T39-H99 PolarHBondContact O-N 3.23Å; T39-H99 WeakPolarHBondContact OG1-CB 3.44Å; H99-Y101 HydrophobicContact CB-CD2 4.01Å; H99-Y101 HydrophobicContact CB-CE2 3.44Å; H99-Y101 VanDerWaalsContact CB-CE2 3.44Å; H99-H112 AromaticContact CG-NE2 3.9Å; H99-H112 AromaticContact ND1-CE1 3.87Å; H99-H112 AromaticContact ND1-NE2 3.27Å; H99-H112 PolarHBondContact ND1-NE2 3.19Å; H99-G113 CarbonylContact C-O 3.59Å; H99-G113 VanDerWaalsContact CA-O 3.3Å; H99-G113 WeakPolarHBondContact CA-O 3.17Å
100C98.3Very high96.2Very high0 Ų056 Ų560%026%0.26CS..EExtended strand (participates in β ladder)trans-106.3100.8174.2-171.10000108.6V3 C21 W38 H112 G113V3-C100 HydrophobicContact CG1-CB 4.33Å; C21-C100 HydrophobicContact CB-CB 3.88Å; C21-C100 WeakPolarHBondContact CB-SG 3.27Å; C21-C100 WeakPolarHBondContact SG-CB 3.3Å; C21-C100 CovalentContact SG-SG 2.05Å; C21-C100 PolarHBondContact SG-SG 3.23Å; W38-C100 HydrophobicContact CD2-CB 4.25Å; W38-C100 HydrophobicContact CE3-CB 4.03Å; W38-C100 HydrophobicContact CH2-CB 3.8Å; W38-C100 HydrophobicContact CZ2-CB 4.03Å; W38-C100 HydrophobicContact CZ3-CB 3.78Å; C100-H112 WeakPolarHBondContact O-CA 3.46Å; C100-G113 PolarHBondContact N-O 2.98Å; C100-G113 PolarHBondContact O-N 2.88Å
101Y98.2Very high96.2Very high41 Ų4156.1 Ų56.116%0.16126%0.261CS..EExtended strand (participates in β ladder)trans-96.5130.6175.8-67-81.2000110.2M36 N37 T39 E48 H99 G111 H112M36-Y101 CarbonylContact C-O 3.54Å; M36-Y101 WeakPolarHBondContact CA-O 3.4Å; M36-Y101 VanDerWaalsContact CB-O 3.3Å; M36-Y101 WeakPolarHBondContact CB-O 3.29Å; N37-Y101 PolarHBondContact N-O 2.9Å; N37-Y101 PolarHBondContact O-N 3.13Å; T39-Y101 HydrophobicContact CG2-CD2 4.3Å; T39-Y101 HydrophobicContact CG2-CE2 4.31Å; T39-Y101 WeakPolarHBondContact OG1-CE2 3.45Å; E48-Y101 PolarHBondContact OE1-OH 3.44Å; E48-Y101 WeakPolarHBondContact OE2-CE2 3.25Å; E48-Y101 PolarHBondContact OE2-OH 3.24Å; H99-Y101 HydrophobicContact CB-CD2 4.01Å; H99-Y101 HydrophobicContact CB-CE2 3.44Å; H99-Y101 VanDerWaalsContact CB-CE2 3.44Å; Y101-G111 WeakPolarHBondContact CA-O 3.29Å; Y101-H112 HydrophobicContact CD1-CB 4.26Å; Y101-H112 AromaticContact CD1-CD2 3.45Å; Y101-H112 VanDerWaalsContact CD1-CD2 3.45Å; Y101-H112 WeakPolarHBondContact CD1-CD2 3.36Å; Y101-H112 AromaticContact CD1-CG 3.98Å; Y101-H112 AromaticContact CD1-NE2 3.98Å; Y101-H112 HydrophobicContact CE1-CB 4.35Å; Y101-H112 AromaticContact CE1-CD2 3.12Å; Y101-H112 WeakPolarHBondContact CE1-CD2 3.47Å; Y101-H112 AromaticContact CE1-CE1 3.75Å; Y101-H112 AromaticContact CE1-CG 3.66Å; Y101-H112 AromaticContact CE1-NE2 3.18Å; Y101-H112 WeakPolarHBondContact CE1-NE2 3.39Å; Y101-H112 AromaticContact CE2-NE2 3.87Å; Y101-H112 AromaticContact CZ-CD2 3.5Å; Y101-H112 AromaticContact CZ-CE1 3.87Å; Y101-H112 AromaticContact CZ-NE2 3.12Å; Y101-H112 PolarHBondContact OH-NE2 3Å; Y101-H112 VanDerWaalsContact OH-NE2 3.08Å
102V98Very high96.3Very high0 Ų057.7 Ų57.70%027%0.268CS..EExtended strand (participates in β ladder)trans-137.5131.9-174.6-164.10000110.3M1 V3 F23 F34 M36 L83 Q110 G111M1-V102 HydrophobicContact CE-CB 3.27Å; M1-V102 HydrophobicContact CE-CG1 3.22Å; M1-V102 HydrophobicContact CE-CG2 4.39Å; M1-V102 WeakPolarHBondContact CE-O 3.44Å; V3-V102 HydrophobicContact CG2-CB 4.35Å; V3-V102 HydrophobicContact CG2-CG2 3.96Å; F23-V102 HydrophobicContact CB-CG1 4.49Å; F23-V102 HydrophobicContact CD1-CG1 3.88Å; F23-V102 HydrophobicContact CD2-CG1 4.39Å; F23-V102 HydrophobicContact CE1-CG1 4.13Å; F23-V102 HydrophobicContact CG-CG1 4Å; F23-V102 HydrophobicContact CZ-CG1 4.49Å; F34-V102 HydrophobicContact CE2-CG1 3.68Å; F34-V102 HydrophobicContact CZ-CG1 3.99Å; M36-V102 HydrophobicContact CB-CG1 4.29Å; L83-V102 HydrophobicContact CD1-CB 4.22Å; L83-V102 HydrophobicContact CD1-CG1 3.71Å; L83-V102 HydrophobicContact CD1-CG2 3.37Å; V102-Q110 CarbonylContact O-C 3.53Å; V102-Q110 WeakPolarHBondContact O-CG 3.29Å; V102-G111 PolarHBondContact N-O 3.31Å; V102-G111 PolarHBondContact O-N 2.91Å
103R97.3Very high96.3Very high151 Ų15153.9 Ų53.957%0.5725%0.249SC*.EExtended strand (participates in β ladder)trans-129.8115.3177.1-174.6-178.7178.1171.1-0.3109.1F34 A35 P105F34-R103 WeakPolarHBondContact CD2-O 3.35Å; A35-R103 HydrophobicContact CB-CB 4.49Å; A35-R103 PolarHBondContact N-O 2.9Å; A35-R103 WeakPolarHBondContact O-CA 3.49Å; A35-R103 PolarHBondContact O-N 2.94Å; R103-P105 HydrophobicContact CG-CG 4.35Å
104N97.1Very high96.5Very high0 Ų051 Ų510%024%0.239CC..  trans-12479.4-179.4-173.335.7000112M1 F23 S25 Y27 F34 D107M1-N104 HydrophobicContact CE-CB 4.49Å; M1-N104 HydrophobicContact SD-CB 4.05Å; F23-N104 HydrophobicContact CE2-CB 4.19Å; S25-N104 PolarHBondContact OG-ND2 2.85Å; Y27-N104 PolarHBondContact O-ND2 3.29Å; Y27-N104 VanDerWaalsContact O-ND2 3.11Å; F34-N104 HydrophobicContact CD2-CB 4.17Å; F34-N104 HydrophobicContact CE2-CB 4.49Å; N104-D107 WeakPolarHBondContact O-CB 3.48Å; N104-D107 PolarHBondContact O-N 3.33Å
105P96.1Very high96.6Very high28 Ų2850.9 Ų50.918%0.18224%0.239CC..THydrogen-bonded Turntrans-56.4140177.9-24.437000111.3K33 R103K33-P105 HydrophobicContact CB-CB 4.28Å; K33-P105 HydrophobicContact CB-CG 4.07Å; K33-P105 HydrophobicContact CD-CB 4.37Å; R103-P105 HydrophobicContact CG-CG 4.35Å
106P95.5Very high96.7Very high80 Ų8049.5 Ų49.552%0.51923%0.234SC..THydrogen-bonded Turncis-87.29.816.736.1-37.7000115.3Y27 R108Y27-P106 HydrophobicContact CD1-CG 3.68Å; Y27-P106 HydrophobicContact CD2-CG 3.73Å; Y27-P106 HydrophobicContact CE1-CG 3.66Å; Y27-P106 HydrophobicContact CE2-CG 3.72Å; Y27-P106 HydrophobicContact CG-CG 3.71Å; P106-R108 PolarHBondContact O-N 3.07Å
107D94.5Very high96.7Very high28 Ų2849.3 Ų49.315%0.1523%0.232CC..  trans-56.1126.6169.6-70.1-35.2000109.7M1 S25 Y27 N104M1-D107 HydrophobicContact CB-CB 4.32Å; M1-D107 HydrophobicContact SD-CB 4.39Å; S25-D107 WeakPolarHBondContact CB-OD2 3.31Å; S25-D107 PolarHBondContact OG-OD2 2.93Å; Y27-D107 VanDerWaalsContact CD2-OD1 3.25Å; Y27-D107 WeakPolarHBondContact CD2-OD1 3.29Å; Y27-D107 VanDerWaalsContact CE2-OD1 3.29Å; Y27-D107 WeakPolarHBondContact CE2-OD1 3.43Å; N104-D107 WeakPolarHBondContact O-CB 3.48Å; N104-D107 PolarHBondContact O-N 3.33Å
108R91.3Very high96.7Very high247 Ų24750.6 Ų50.693%0.93224%0.237SC*.  trans-82.8-25.9-179.1-62.8-174179.9-173.50.4112.2P106P106-R108 PolarHBondContact O-N 3.07Å
109I92.6Very high96.6Very high117 Ų11751.2 Ų51.260%0.624%0.241SC*.SBendtrans-91.7129.7-177.5-57.8172.7000107.9
110Q94.8Very high96.5Very high107 Ų10752.4 Ų52.450%0.525%0.248SC..PPolyproline II helixtrans-76.6128.7168.8-175.8176.332.300108.9V102V102-Q110 CarbonylContact O-C 3.53Å; V102-Q110 WeakPolarHBondContact O-CG 3.29Å
111G97.1Very high96.3Very high2 Ų257.3 Ų57.32%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-75.7141.2170.500000111Y101 V102Y101-G111 WeakPolarHBondContact CA-O 3.29Å; V102-G111 PolarHBondContact N-O 3.31Å; V102-G111 PolarHBondContact O-N 2.91Å
112H97.6Very high95.8Very high87 Ų8762.8 Ų62.840%0.40331%0.306SS..EExtended strand (participates in β ladder)trans-142.7126.2178.1-178.3-149.3000110H99 C100 Y101 V114H99-H112 AromaticContact CG-NE2 3.9Å; H99-H112 AromaticContact ND1-CE1 3.87Å; H99-H112 AromaticContact ND1-NE2 3.27Å; H99-H112 PolarHBondContact ND1-NE2 3.19Å; C100-H112 WeakPolarHBondContact O-CA 3.46Å; Y101-H112 HydrophobicContact CD1-CB 4.26Å; Y101-H112 AromaticContact CD1-CD2 3.45Å; Y101-H112 VanDerWaalsContact CD1-CD2 3.45Å; Y101-H112 WeakPolarHBondContact CD1-CD2 3.36Å; Y101-H112 AromaticContact CD1-CG 3.98Å; Y101-H112 AromaticContact CD1-NE2 3.98Å; Y101-H112 HydrophobicContact CE1-CB 4.35Å; Y101-H112 AromaticContact CE1-CD2 3.12Å; Y101-H112 WeakPolarHBondContact CE1-CD2 3.47Å; Y101-H112 AromaticContact CE1-CE1 3.75Å; Y101-H112 AromaticContact CE1-CG 3.66Å; Y101-H112 AromaticContact CE1-NE2 3.18Å; Y101-H112 WeakPolarHBondContact CE1-NE2 3.39Å; Y101-H112 AromaticContact CE2-NE2 3.87Å; Y101-H112 AromaticContact CZ-CD2 3.5Å; Y101-H112 AromaticContact CZ-CE1 3.87Å; Y101-H112 AromaticContact CZ-NE2 3.12Å; Y101-H112 PolarHBondContact OH-NE2 3Å; Y101-H112 VanDerWaalsContact OH-NE2 3.08Å; H112-V114 VanDerWaalsContact CE1-CG2 3.48Å; H112-V114 WeakPolarHBondContact CE1-CG2 3.33Å
113G97.5Very high94.8Very high4 Ų469 Ų694%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-121.3141.9169.700000110H99 C100H99-G113 CarbonylContact C-O 3.59Å; H99-G113 VanDerWaalsContact CA-O 3.3Å; H99-G113 WeakPolarHBondContact CA-O 3.17Å; C100-G113 PolarHBondContact N-O 2.98Å; C100-G113 PolarHBondContact O-N 2.88Å
114V97.8Very high93.6Very high59 Ų5966 Ų6636%0.35834%0.338SS..EExtended strand (participates in β ladder)trans-124.4134.8178.2-171.80000109Y98 H112Y98-V114 WeakPolarHBondContact O-CA 3.48Å; H112-V114 VanDerWaalsContact CE1-CG2 3.48Å; H112-V114 WeakPolarHBondContact CE1-CG2 3.33Å
115I98.4Very high92.3Very high0 Ų071.2 Ų71.20%037%0.372CS..EExtended strand (participates in β ladder)trans-125.9123.2-176.4-52.8177000107.9V5 S6 I9 I19 W38 L97 Y98 F117V5-I115 HydrophobicContact CB-CD1 3.93Å; V5-I115 HydrophobicContact CB-CG1 3.79Å; V5-I115 HydrophobicContact CG1-CD1 3.99Å; V5-I115 HydrophobicContact CG1-CG1 4.19Å; V5-I115 HydrophobicContact CG2-CG1 4.07Å; S6-I115 WeakPolarHBondContact O-CG1 3.28Å; I9-I115 HydrophobicContact CB-CG2 4.37Å; I9-I115 HydrophobicContact CD1-CG2 3.7Å; I9-I115 HydrophobicContact CG1-CG2 3.83Å; I19-I115 HydrophobicContact CG2-CD1 3.42Å; I19-I115 VanDerWaalsContact CG2-CD1 3.42Å; W38-I115 HydrophobicContact CH2-CD1 3.8Å; W38-I115 HydrophobicContact CZ3-CD1 4Å; L97-I115 WeakPolarHBondContact CA-O 3.49Å; Y98-I115 PolarHBondContact N-O 3.02Å; Y98-I115 PolarHBondContact O-N 3.41Å; I115-F117 PolarHBondContact O-N 2.79Å
116D97.9Very high91.1Very high50 Ų5074.9 Ų74.927%0.26740%0.396SS..EExtended strand (participates in β ladder)trans-83.9106.9166.8-175.69.7000109S7 Y8 I9 L97 K118S7-D116 PolarHBondContact O-N 3.07Å; Y8-D116 CarbonylContact C-O 3.2Å; Y8-D116 VanDerWaalsContact CA-O 3.29Å; Y8-D116 WeakPolarHBondContact CA-O 3.31Å; Y8-D116 HydrophobicContact CD2-CB 3.99Å; I9-D116 PolarHBondContact N-O 3.46Å; L97-D116 HydrophobicContact CD2-CB 4.13Å; D116-K118 VanDerWaalsContact OD1-CE 3.24Å; D116-K118 WeakPolarHBondContact OD1-CE 3.24Å; D116-K118 IonicContact OD1-NZ 3.23Å
117F97.7Very high89.5Confident0 Ų082.3 Ų82.30%041%0.413CS..EExtended strand (participates in β ladder)trans-102.3117.6-175.6-173.3-89.4000109.6I9 A11 V17 I19 L87 V90 D94 E95 G96 Y98 I115 V119I9-F117 HydrophobicContact CB-CD2 3.96Å; I9-F117 HydrophobicContact CB-CE2 4.47Å; I9-F117 HydrophobicContact CG2-CD2 3.87Å; I9-F117 HydrophobicContact CG2-CE2 3.86Å; A11-F117 HydrophobicContact CB-CE1 4.05Å; A11-F117 HydrophobicContact CB-CE2 3.92Å; A11-F117 HydrophobicContact CB-CZ 3.35Å; V17-F117 HydrophobicContact CG1-CE2 3.78Å; V17-F117 HydrophobicContact CG1-CZ 3.73Å; I19-F117 HydrophobicContact CD1-CD2 4.03Å; I19-F117 HydrophobicContact CD1-CE2 3.91Å; I19-F117 HydrophobicContact CG1-CD2 4.28Å; I19-F117 HydrophobicContact CG1-CE2 4.01Å; L87-F117 HydrophobicContact CD2-CE1 4.29Å; L87-F117 HydrophobicContact CD2-CZ 4.14Å; V90-F117 HydrophobicContact CG1-CE1 4.09Å; V90-F117 HydrophobicContact CG1-CZ 4.24Å; V90-F117 HydrophobicContact CG2-CZ 4.34Å; D94-F117 HydrophobicContact CB-CE1 4.43Å; E95-F117 WeakPolarHBondContact CA-O 3.3Å; G96-F117 PolarHBondContact N-O 2.66Å; G96-F117 WeakPolarHBondContact O-CB 3.49Å; G96-F117 PolarHBondContact O-N 2.77Å; Y98-F117 HydrophobicContact CD2-CB 3.48Å; Y98-F117 VanDerWaalsContact CD2-CB 3.48Å; Y98-F117 HydrophobicContact CD2-CG 4.13Å; Y98-F117 HydrophobicContact CE2-CB 3.48Å; Y98-F117 VanDerWaalsContact CE2-CB 3.48Å; Y98-F117 AromaticContact CE2-CD1 3.91Å; Y98-F117 HydrophobicContact CE2-CD1 3.91Å; Y98-F117 AromaticContact CE2-CG 3.76Å; Y98-F117 HydrophobicContact CE2-CG 3.76Å; I115-F117 PolarHBondContact O-N 2.79Å; F117-V119 HydrophobicContact CD1-CG2 4.08Å; F117-V119 HydrophobicContact CE1-CG2 3.66Å
118K96.9Very high87.9Confident54 Ų5485.3 Ų85.324%0.23543%0.429CS..EExtended strand (participates in β ladder)trans-112.7141.1179.9-65.2-54-170.9-169.20111.4Y8 I9 N10 A11 E95 D116Y8-K118 HydrophobicContact CD2-CG 4.36Å; Y8-K118 HydrophobicContact CE2-CB 4.19Å; Y8-K118 HydrophobicContact CE2-CD 4.48Å; Y8-K118 HydrophobicContact CE2-CG 3.31Å; Y8-K118 VanDerWaalsContact CZ-CG 3.49Å; Y8-K118 WeakPolarHBondContact OH-CB 3.38Å; Y8-K118 WeakPolarHBondContact OH-CG 3.36Å; I9-K118 PolarHBondContact O-N 3.45Å; N10-K118 WeakPolarHBondContact CA-O 3.46Å; N10-K118 WeakPolarHBondContact OD1-CB 3.48Å; A11-K118 PolarHBondContact N-O 3.09Å; E95-K118 VanDerWaalsContact CD-CD 3.4Å; E95-K118 HydrophobicContact CG-CD 3.79Å; E95-K118 VanDerWaalsContact OE1-CD 3.28Å; E95-K118 WeakPolarHBondContact OE1-CD 3.16Å; E95-K118 WeakPolarHBondContact OE1-CE 3.33Å; E95-K118 IonicContact OE1-NZ 3.75Å; E95-K118 PolarHBondContact OE1-NZ 2.89Å; D116-K118 VanDerWaalsContact OD1-CE 3.24Å; D116-K118 WeakPolarHBondContact OD1-CE 3.24Å; D116-K118 IonicContact OD1-NZ 3.23Å
119V96.9Very high86.6Confident13 Ų1377.6 Ų77.68%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-108.6120.1177.7-171.40000108.9A11 N13 V90 Q91 L92 E95 F117A11-V119 CarbonylContact O-C 3.59Å; A11-V119 WeakPolarHBondContact O-CA 3.47Å; N13-V119 HydrophobicContact CB-CG1 4.1Å; V90-V119 HydrophobicContact CG1-CB 4.37Å; V90-V119 HydrophobicContact CG1-CG1 3.74Å; V90-V119 HydrophobicContact CG1-CG2 3.67Å; Q91-V119 WeakPolarHBondContact O-CG2 3.19Å; L92-V119 HydrophobicContact CD2-CB 4.31Å; L92-V119 HydrophobicContact CD2-CG1 3.92Å; E95-V119 HydrophobicContact CB-CG2 4.29Å; F117-V119 HydrophobicContact CD1-CG2 4.08Å; F117-V119 HydrophobicContact CE1-CG2 3.66Å
120V95.6Very high85.4Confident33 Ų3377.2 Ų77.220%0.242%0.417CS..EExtended strand (participates in β ladder)trans-106.7147.6178.3-61.50000109.7A11 L12 N13 E122A11-V120 WeakPolarHBondContact O-CG2 3.32Å; A11-V120 PolarHBondContact O-N 3.46Å; L12-V120 CarbonylContact C-O 3.58Å; L12-V120 WeakPolarHBondContact CA-O 3.46Å; L12-V120 HydrophobicContact CD1-CG2 4.26Å; N13-V120 PolarHBondContact N-O 2.97Å; V120-E122 WeakPolarHBondContact CG2-O 3.48Å
121T94.3Very high84.2Confident103 Ų10377 Ų7763%0.63242%0.418SS*.SBendtrans-87.7-21.2172.151.30000112.2L12 L92L12-T121 WeakPolarHBondContact CD1-O 3.32Å; L92-T121 HydrophobicContact CD2-CG2 4.08Å
122E87.8Confident82.8Confident156 Ų15680.2 Ų80.273%0.72944%0.444SS*.SBendtrans-139142.3178-63.1-169.9167.700110.1V120V120-E122 WeakPolarHBondContact CG2-O 3.48Å
123L76.1Confident81.8Confident130 Ų13080.9 Ų80.968%0.68145%0.454SS*.PPolyproline II helixtrans-71.1135.4171.9-74.3162.3000109
124P71.8Confident80.7Confident89 Ų8983.5 Ų83.558%0.57848%0.476SS*.PPolyproline II helixtrans-56.6142.8174.321.7-30.1000109.6
125P71.3Confident79.7Confident108 Ų10885.5 Ų85.570%0.70148%0.483SS*.PPolyproline II helixtrans-56.2140.2-178.922.3-32.4000109.7R127P125-R127 PolarHBondContact O-N 2.76Å
126P69.5Low78.8Confident105 Ų10587.8 Ų87.868%0.68251%0.507SS*.PPolyproline II helixtrans-55.3120.1179.920.1-29.6000108.8D128P126-D128 PolarHBondContact O-N 3.17Å
127R62.5Low78Confident236 Ų23688.7 Ų88.789%0.89152%0.521SS*.  trans-77.359.8174.1-70.5-171.1173.2-139.71.2109.5P125 S129P125-R127 PolarHBondContact O-N 2.76Å; R127-S129 VanDerWaalsContact C-N 3.27Å; R127-S129 PolarHBondContact O-N 2.85Å
128D60.3Low77.5Confident91 Ų9192.1 Ų92.149%0.48755%0.545SS..  trans-81.181.4171.8-72.5-25.9000108.7P126 T130 I131P126-D128 PolarHBondContact O-N 3.17Å; D128-T130 PolarHBondContact O-N 3.06Å; D128-I131 HydrophobicContact CB-CD1 3.95Å; D128-I131 HydrophobicContact CB-CG1 4.02Å; D128-I131 PolarHBondContact O-N 2.05Å
129S64Low77.2Confident86 Ų8693.6 Ų93.660%0.60156%0.558SS**Hα-helixtrans-52.4-22.2170.4-59.90000112.2R127 I131 A132 V133R127-S129 VanDerWaalsContact C-N 3.27Å; R127-S129 PolarHBondContact O-N 2.85Å; S129-I131 VanDerWaalsContact C-N 3.29Å; S129-I131 PolarHBondContact O-N 2.94Å; S129-A132 PolarHBondContact O-N 3.11Å; S129-V133 WeakPolarHBondContact O-CB 3.29Å; S129-V133 VanDerWaalsContact O-CG2 3.25Å; S129-V133 WeakPolarHBondContact O-CG2 3.25Å; S129-V133 PolarHBondContact O-N 3.31Å
130T67.7Low76.8Confident108 Ų10894.9 Ų94.966%0.66357%0.574SS**Hα-helixtrans-58-37.6173.3-37.50000112.6D128 A134D128-T130 PolarHBondContact O-N 3.06Å; T130-A134 VanDerWaalsContact O-CB 3.23Å; T130-A134 WeakPolarHBondContact O-CB 3.39Å; T130-A134 PolarHBondContact O-N 2.99Å
131I69.4Low76.6Confident104 Ų10494.9 Ų94.953%0.53358%0.581SS.*Hα-helixtrans-68.6-46.9179-61.2175.9000109.7D128 S129 V133 A134 I135D128-I131 HydrophobicContact CB-CD1 3.95Å; D128-I131 HydrophobicContact CB-CG1 4.02Å; D128-I131 PolarHBondContact O-N 2.05Å; S129-I131 VanDerWaalsContact C-N 3.29Å; S129-I131 PolarHBondContact O-N 2.94Å; I131-V133 PolarHBondContact O-N 2.85Å; I131-A134 PolarHBondContact O-N 3.42Å; I131-I135 HydrophobicContact CG2-CD1 3.89Å; I131-I135 VanDerWaalsContact O-CG1 3.28Å; I131-I135 WeakPolarHBondContact O-CG1 3.5Å; I131-I135 PolarHBondContact O-N 3.38Å
132A68.4Low76.5Confident69 Ų6992.5 Ų92.557%0.5757%0.572SS**Hα-helixtrans-63.8-40.6178.600000112.3S129 G136S129-A132 PolarHBondContact O-N 3.11Å; A132-G136 PolarHBondContact O-N 3.29Å
133V75.4Confident76.8Confident101 Ų10189.9 Ų89.961%0.61256%0.562SS**Hα-helixtrans-68-41.4177.2172.80000111.6S129 I131 I135 G136 A137S129-V133 WeakPolarHBondContact O-CB 3.29Å; S129-V133 VanDerWaalsContact O-CG2 3.25Å; S129-V133 WeakPolarHBondContact O-CG2 3.25Å; S129-V133 PolarHBondContact O-N 3.31Å; I131-V133 PolarHBondContact O-N 2.85Å; V133-I135 PolarHBondContact O-N 3.31Å; V133-G136 PolarHBondContact O-N 3.19Å; V133-A137 WeakPolarHBondContact O-CB 3.49Å; V133-A137 PolarHBondContact O-N 2.72Å
134A74.3Confident77.7Confident59 Ų5985.9 Ų85.949%0.48855%0.548SS..Hα-helixtrans-63.4-41.1177.300000112.3T130 I131 S138T130-A134 VanDerWaalsContact O-CB 3.23Å; T130-A134 WeakPolarHBondContact O-CB 3.39Å; T130-A134 PolarHBondContact O-N 2.99Å; I131-A134 PolarHBondContact O-N 3.42Å; A134-S138 WeakPolarHBondContact O-CB 3.4Å; A134-S138 PolarHBondContact O-N 3.29Å; A134-S138 VanDerWaalsContact O-N 3.13Å; A134-S138 PolarHBondContact O-OG 3.47Å; A134-S138 VanDerWaalsContact O-OG 3.04Å
135I78.1Confident78.7Confident101 Ų10187.6 Ų87.652%0.51855%0.552SS.*Hα-helixtrans-66.3-44.5175.3-64.3167.3000110.5I131 V133 A137 S138 V139I131-I135 HydrophobicContact CG2-CD1 3.89Å; I131-I135 VanDerWaalsContact O-CG1 3.28Å; I131-I135 WeakPolarHBondContact O-CG1 3.5Å; I131-I135 PolarHBondContact O-N 3.38Å; V133-I135 PolarHBondContact O-N 3.31Å; I135-A137 PolarHBondContact O-N 3.4Å; I135-S138 PolarHBondContact O-N 3.34Å; I135-S138 PolarHBondContact O-OG 3.04Å; I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-V139 PolarHBondContact O-N 3.23Å
136G78.1Confident79.9Confident48 Ų4887.7 Ų87.750%0.49555%0.546SS..Hα-helixtrans-62.8-42.217800000113.5A132 V133 G140A132-G136 PolarHBondContact O-N 3.29Å; V133-G136 PolarHBondContact O-N 3.19Å; G136-G140 PolarHBondContact O-N 2.75Å
137A82.9Confident81.1Confident69 Ų6988 Ų8857%0.5754%0.54SS*.Hα-helixtrans-68-39.8-179.800000112.7V133 I135 G141V133-A137 WeakPolarHBondContact O-CB 3.49Å; V133-A137 PolarHBondContact O-N 2.72Å; I135-A137 PolarHBondContact O-N 3.4Å; A137-G141 PolarHBondContact O-N 2.71Å
138S86.9Confident82.6Confident72 Ų7281.9 Ų81.950%0.50353%0.525SS..Hα-helixtrans-67.3-49.6179.856.60000112.4A134 I135 G141 A142A134-S138 WeakPolarHBondContact O-CB 3.4Å; A134-S138 PolarHBondContact O-N 3.29Å; A134-S138 VanDerWaalsContact O-N 3.13Å; A134-S138 PolarHBondContact O-OG 3.47Å; A134-S138 VanDerWaalsContact O-OG 3.04Å; I135-S138 PolarHBondContact O-N 3.34Å; I135-S138 PolarHBondContact O-OG 3.04Å; S138-G141 PolarHBondContact O-N 2.99Å; S138-A142 PolarHBondContact O-N 3.41Å
139V90.4Very high84.2Confident84 Ų8480.3 Ų80.351%0.50952%0.521SS..Hα-helixtrans-66.6-43.4179.8179.70000111I135 A142 L143I135-V139 WeakPolarHBondContact O-CG2 3.4Å; I135-V139 PolarHBondContact O-N 3.23Å; V139-A142 PolarHBondContact O-N 3.42Å; V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 WeakPolarHBondContact O-CG 3.28Å; V139-L143 PolarHBondContact O-N 2.8Å; V139-L143 VanDerWaalsContact O-N 3.13Å
140G88.8Confident85.6Confident40 Ų4082.6 Ų82.641%0.41252%0.524SS..Hα-helixtrans-62.8-43.1176.900000112.8G136 L143 A144G136-G140 PolarHBondContact O-N 2.75Å; G140-L143 PolarHBondContact O-N 2.78Å; G140-A144 WeakPolarHBondContact O-CB 3.46Å; G140-A144 PolarHBondContact O-N 3.29Å
141G91Very high86.9Confident33 Ų3381.1 Ų81.134%0.3452%0.515SS..Hα-helixtrans-63.2-45177.500000112.9A137 S138 A144 L145A137-G141 PolarHBondContact O-N 2.71Å; S138-G141 PolarHBondContact O-N 2.99Å; G141-A144 PolarHBondContact O-N 2.8Å; G141-L145 WeakPolarHBondContact O-CG 3.41Å; G141-L145 PolarHBondContact O-N 3.32Å
142A92.9Very high88.1Confident54 Ų5480.1 Ų80.145%0.44651%0.513SS..Hα-helixtrans-62-44.9177.800000112.1S138 V139 L145 L146S138-A142 PolarHBondContact O-N 3.41Å; V139-A142 PolarHBondContact O-N 3.42Å; A142-L145 PolarHBondContact O-N 3.19Å; A142-L146 WeakPolarHBondContact O-CG 3.21Å; A142-L146 PolarHBondContact O-N 3.29Å
143L94.1Very high89.3Confident100 Ų10079.9 Ų79.952%0.52451%0.505SS..Hα-helixtrans-63-42.9177.2-72.8170.2000112V139 G140 L146 I147V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 WeakPolarHBondContact O-CG 3.28Å; V139-L143 PolarHBondContact O-N 2.8Å; V139-L143 VanDerWaalsContact O-N 3.13Å; G140-L143 PolarHBondContact O-N 2.78Å; L143-L146 PolarHBondContact O-N 3.03Å; L143-I147 VanDerWaalsContact O-CG1 3.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.45Å; L143-I147 PolarHBondContact O-N 2.78Å
144A93.4Very high90.1Very high47 Ų4782.5 Ų82.539%0.38851%0.507SS..Hα-helixtrans-62.6-43.8177.200000112.1G140 G141 L146 I147 L148G140-A144 WeakPolarHBondContact O-CB 3.46Å; G140-A144 PolarHBondContact O-N 3.29Å; G141-A144 PolarHBondContact O-N 2.8Å; A144-L146 PolarHBondContact O-N 3.46Å; A144-I147 PolarHBondContact O-N 2.95Å; A144-L148 WeakPolarHBondContact O-CB 3.48Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.39Å; A144-L148 PolarHBondContact O-N 2.7Å
145L94.3Very high90.9Very high124 Ų12483.3 Ų83.365%0.64951%0.509SS*.Hα-helixtrans-63.4-40.5177.1-73.6172.9000112.4G141 A142 L148 S149G141-L145 WeakPolarHBondContact O-CG 3.41Å; G141-L145 PolarHBondContact O-N 3.32Å; A142-L145 PolarHBondContact O-N 3.19Å; L145-L148 PolarHBondContact O-N 2.97Å; L145-S149 WeakPolarHBondContact O-CB 3.39Å; L145-S149 PolarHBondContact O-N 2.82Å
146L94.9Very high91.4Very high110 Ų11083.6 Ų83.658%0.57651%0.511SS*.Hα-helixtrans-62.1-46.1176.1-73.4174.3000111.6A142 L143 A144 S149 M150A142-L146 WeakPolarHBondContact O-CG 3.21Å; A142-L146 PolarHBondContact O-N 3.29Å; L143-L146 PolarHBondContact O-N 3.03Å; A144-L146 PolarHBondContact O-N 3.46Å; L146-S149 PolarHBondContact O-N 3.21Å; L146-S149 PolarHBondContact O-OG 2.88Å; L146-M150 WeakPolarHBondContact O-CG 3.44Å; L146-M150 PolarHBondContact O-N 2.9Å
147I94.5Very high91.9Very high112 Ų11290 Ų9057%0.57452%0.52SS*.Hα-helixtrans-62.2-46.7177.6-65.9165.8000110.5L143 A144 S149 M150 V151L143-I147 VanDerWaalsContact O-CG1 3.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.45Å; L143-I147 PolarHBondContact O-N 2.78Å; A144-I147 PolarHBondContact O-N 2.95Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 2.99Å; I147-M150 PolarHBondContact O-N 3.49Å; I147-V151 WeakPolarHBondContact O-CG2 3.49Å; I147-V151 PolarHBondContact O-N 3.05Å
148L94.7Very high92.1Very high108 Ų10896.1 Ų96.157%0.56553%0.528SS*.Hα-helixtrans-59.4-43.9177-73.6171.1000111.6A144 L145 M150 V151 V152A144-L148 WeakPolarHBondContact O-CB 3.48Å; A144-L148 VanDerWaalsContact O-CG 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.39Å; A144-L148 PolarHBondContact O-N 2.7Å; L145-L148 PolarHBondContact O-N 2.97Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.89Å; L148-V151 PolarHBondContact O-N 2.97Å; L148-V152 VanDerWaalsContact O-CG2 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.29Å; L148-V152 PolarHBondContact O-N 2.94Å
149S94.4Very high91.9Very high58 Ų5897.7 Ų97.741%0.40653%0.528SS..Hα-helixtrans-62.8-41177.789.70000112.2L145 L146 I147 V151 V152 V153L145-S149 WeakPolarHBondContact O-CB 3.39Å; L145-S149 PolarHBondContact O-N 2.82Å; L146-S149 PolarHBondContact O-N 3.21Å; L146-S149 PolarHBondContact O-OG 2.88Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 2.99Å; S149-V151 PolarHBondContact O-N 2.53Å; S149-V152 PolarHBondContact O-N 2.85Å; S149-V153 WeakPolarHBondContact O-CB 3.42Å; S149-V153 VanDerWaalsContact O-CG2 3.26Å; S149-V153 WeakPolarHBondContact O-CG2 3.41Å; S149-V153 PolarHBondContact O-N 3.22Å
150M93.2Very high91.5Very high133 Ų133102.8 Ų102.866%0.65554%0.538SS*.Hα-helixtrans-63.9-40.3177.9-74.2-72.2-165.200111.8L146 I147 L148 K154L146-M150 WeakPolarHBondContact O-CG 3.44Å; L146-M150 PolarHBondContact O-N 2.9Å; I147-M150 PolarHBondContact O-N 3.49Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.89Å; M150-K154 WeakPolarHBondContact O-CB 3.49Å; M150-K154 PolarHBondContact O-N 3.01Å
151V94.6Very high91.2Very high78 Ų78107.7 Ų107.747%0.47355%0.548SS..Hα-helixtrans-64.9-48.2175.8172.70000110.6I147 L148 S149 V153 K154 C155I147-V151 WeakPolarHBondContact O-CG2 3.49Å; I147-V151 PolarHBondContact O-N 3.05Å; L148-V151 PolarHBondContact O-N 2.97Å; S149-V151 PolarHBondContact O-N 2.53Å; V151-V153 PolarHBondContact O-N 3.28Å; V151-K154 PolarHBondContact O-N 3.12Å; V151-C155 WeakPolarHBondContact O-CB 3.49Å; V151-C155 PolarHBondContact O-N 2.85Å; V151-C155 PolarHBondContact O-SG 2.85Å; V151-C155 VanDerWaalsContact O-SG 3.39Å
152V94.4Very high90.6Very high83 Ų83112.5 Ų112.550%0.50356%0.561SS.*Hα-helixtrans-58.8-48177.8171.50000110.8L148 S149 K154 C155 L156L148-V152 VanDerWaalsContact O-CG2 3.31Å; L148-V152 WeakPolarHBondContact O-CG2 3.29Å; L148-V152 PolarHBondContact O-N 2.94Å; S149-V152 PolarHBondContact O-N 2.85Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 3.1Å; V152-C155 PolarHBondContact O-N 3.14Å; V152-L156 HydrophobicContact CG1-CD1 3.91Å; V152-L156 HydrophobicContact CG1-CG 4.33Å; V152-L156 VanDerWaalsContact O-CG 3.3Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 3.12Å
153V93.6Very high90Very high64 Ų64114.4 Ų114.439%0.38856%0.561SS.*Hα-helixtrans-61.2-41.6177.4172.10000111.4S149 V151 L156 R157S149-V153 WeakPolarHBondContact O-CB 3.42Å; S149-V153 VanDerWaalsContact O-CG2 3.26Å; S149-V153 WeakPolarHBondContact O-CG2 3.41Å; S149-V153 PolarHBondContact O-N 3.22Å; V151-V153 PolarHBondContact O-N 3.28Å; V153-L156 PolarHBondContact O-N 2.82Å; V153-R157 HydrophobicContact CG1-CG 4.36Å; V153-R157 WeakPolarHBondContact O-CB 3.41Å; V153-R157 VanDerWaalsContact O-CG 3.27Å; V153-R157 WeakPolarHBondContact O-CG 3.2Å; V153-R157 PolarHBondContact O-N 3.19Å
154K92.8Very high89.2Confident155 Ų155114.5 Ų114.567%0.67456%0.561SS**Hα-helixtrans-64-42.2175.6-102.3-177.3167.9165.30112.4M150 V151 V152 R157 R158M150-K154 WeakPolarHBondContact O-CB 3.49Å; M150-K154 PolarHBondContact O-N 3.01Å; V151-K154 PolarHBondContact O-N 3.12Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 3.1Å; K154-R157 PolarHBondContact O-N 3.2Å; K154-R158 WeakPolarHBondContact O-CB 3.12Å; K154-R158 PolarHBondContact O-N 2.96Å
155C90.2Very high88.3Confident77 Ų77116.7 Ų116.752%0.5257%0.566SS.*Hα-helixtrans-63.2-46.7176.4-740000111.3V151 V152 R157 R158 H159V151-C155 WeakPolarHBondContact O-CB 3.49Å; V151-C155 PolarHBondContact O-N 2.85Å; V151-C155 PolarHBondContact O-SG 2.85Å; V151-C155 VanDerWaalsContact O-SG 3.39Å; V152-C155 PolarHBondContact O-N 3.14Å; C155-R157 PolarHBondContact O-N 3.02Å; C155-R158 PolarHBondContact O-N 3.32Å; C155-H159 WeakPolarHBondContact O-CB 3.48Å; C155-H159 PolarHBondContact O-N 2.92Å
156L89.1Confident87.2Confident106 Ų106113.5 Ų113.556%0.55555%0.554SS**Hα-helixtrans-63.7-41.2177.2-67.7175.3000112.4V152 V153 H159 R160V152-L156 HydrophobicContact CG1-CD1 3.91Å; V152-L156 HydrophobicContact CG1-CG 4.33Å; V152-L156 VanDerWaalsContact O-CG 3.3Å; V152-L156 WeakPolarHBondContact O-CG 3.48Å; V152-L156 PolarHBondContact O-N 3.12Å; V153-L156 PolarHBondContact O-N 2.82Å; L156-H159 PolarHBondContact O-N 2.68Å; L156-R160 PolarHBondContact O-N 2.9Å
157R88.8Confident86.3Confident184 Ų184113.7 Ų113.769%0.69455%0.552SS**Hα-helixtrans-64.6-41174.8-75.6-179.9-176.6-169.83.7112V153 K154 C155 K161V153-R157 HydrophobicContact CG1-CG 4.36Å; V153-R157 WeakPolarHBondContact O-CB 3.41Å; V153-R157 VanDerWaalsContact O-CG 3.27Å; V153-R157 WeakPolarHBondContact O-CG 3.2Å; V153-R157 PolarHBondContact O-N 3.19Å; K154-R157 PolarHBondContact O-N 3.2Å; C155-R157 PolarHBondContact O-N 3.02Å; R157-K161 WeakPolarHBondContact O-CB 3.3Å; R157-K161 PolarHBondContact O-N 2.82Å
158R86.6Confident85.2Confident196 Ų196114.7 Ų114.774%0.7455%0.554SS**Hα-helixtrans-63.7-45174.8-88.3-173.5170.7-179.3-3111.6K154 C155 K161 Q162K154-R158 WeakPolarHBondContact O-CB 3.12Å; K154-R158 PolarHBondContact O-N 2.96Å; C155-R158 PolarHBondContact O-N 3.32Å; R158-K161 PolarHBondContact O-N 2.82Å; R158-Q162 PolarHBondContact O-N 2.87Å
159H82.6Confident83.8Confident106 Ų106115.8 Ų115.849%0.49155%0.554SS.*Hα-helixtrans-62.1-49.9178.3-167.3-67.3000111.2C155 L156 K161 Q162 E163C155-H159 WeakPolarHBondContact O-CB 3.48Å; C155-H159 PolarHBondContact O-N 2.92Å; L156-H159 PolarHBondContact O-N 2.68Å; H159-K161 VanDerWaalsContact C-N 3.26Å; H159-K161 PolarHBondContact O-N 2.84Å; H159-Q162 WeakPolarHBondContact O-CB 3.4Å; H159-Q162 PolarHBondContact O-N 3.07Å; H159-E163 IonicContact CE1-OE1 3.7Å; H159-E163 PolarHBondContact CE1-OE1 2.86Å; H159-E163 IonicContact ND1-OE1 2.71Å; H159-E163 WeakPolarHBondContact O-CG 3.12Å; H159-E163 PolarHBondContact O-N 2.91Å
160R83.1Confident82.2Confident191 Ų191120 Ų12072%0.72157%0.569SS**Hα-helixtrans-58.8-37.2175.2-76-170.6-175.2-161.21112.7L156 E163 L164L156-R160 PolarHBondContact O-N 2.9Å; R160-E163 PolarHBondContact O-N 2.9Å; R160-L164 WeakPolarHBondContact O-CG 3.45Å; R160-L164 PolarHBondContact O-N 3Å
161K81.9Confident80.8Confident143 Ų143121.1 Ų121.162%0.62257%0.573SS**Hα-helixtrans-67.7-35.3175.8-170176-179.5-1780112R157 R158 H159 I165R157-K161 WeakPolarHBondContact O-CB 3.3Å; R157-K161 PolarHBondContact O-N 2.82Å; R158-K161 PolarHBondContact O-N 2.82Å; H159-K161 VanDerWaalsContact C-N 3.26Å; H159-K161 PolarHBondContact O-N 2.84Å; K161-I165 HydrophobicContact CG-CD1 4.1Å; K161-I165 WeakPolarHBondContact O-CD1 3.38Å; K161-I165 VanDerWaalsContact O-CG1 3.23Å; K161-I165 WeakPolarHBondContact O-CG1 3.47Å; K161-I165 PolarHBondContact O-N 3.27Å
162Q79.1Confident79.2Confident134 Ų134124.8 Ų124.863%0.62659%0.585SS**Hα-helixtrans-67.4-42.8174.5-77.8178.8-35.600111.8R158 H159 L164 I165 S166R158-Q162 PolarHBondContact O-N 2.87Å; H159-Q162 WeakPolarHBondContact O-CB 3.4Å; H159-Q162 PolarHBondContact O-N 3.07Å; Q162-L164 PolarHBondContact O-N 2.89Å; Q162-I165 PolarHBondContact O-N 2.77Å; Q162-S166 PolarHBondContact O-N 2.84Å; Q162-S166 PolarHBondContact O-OG 2.66Å; Q162-S166 VanDerWaalsContact O-OG 3.11Å
163E79Confident77.4Confident93 Ų93127.3 Ų127.344%0.43559%0.591SS.*Hα-helixtrans-58-45.9176.1-68.3-67.8157.100112H159 R160 I165 S166 E167H159-E163 IonicContact CE1-OE1 3.7Å; H159-E163 PolarHBondContact CE1-OE1 2.86Å; H159-E163 IonicContact ND1-OE1 2.71Å; H159-E163 WeakPolarHBondContact O-CG 3.12Å; H159-E163 PolarHBondContact O-N 2.91Å; R160-E163 PolarHBondContact O-N 2.9Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 PolarHBondContact O-N 2.8Å; E163-S166 VanDerWaalsContact C-OG 3.31Å; E163-S166 VanDerWaalsContact CA-OG 3.28Å; E163-S166 WeakPolarHBondContact CA-OG 3.18Å; E163-S166 PolarHBondContact O-N 2.76Å; E163-S166 PolarHBondContact O-OG 3.03Å; E163-E167 WeakPolarHBondContact O-CG 3.49Å; E163-E167 PolarHBondContact O-N 2.77Å
164L77.4Confident75.7Confident102 Ų102127.5 Ų127.553%0.53461%0.606SS.*Hα-helixtrans-63.7-38.2177.5-70167.4000112.7R160 Q162 S166 E167 E168R160-L164 WeakPolarHBondContact O-CG 3.45Å; R160-L164 PolarHBondContact O-N 3Å; Q162-L164 PolarHBondContact O-N 2.89Å; L164-S166 VanDerWaalsContact C-N 3.35Å; L164-E167 PolarHBondContact O-N 2.64Å; L164-E168 WeakPolarHBondContact O-CG 3.21Å; L164-E168 PolarHBondContact O-N 3.43Å
165I75.2Confident73.9Confident93 Ų93129 Ų12948%0.47761%0.612SS.*Hα-helixtrans-69.7-33.7176.9-67.5165.7000110.9K161 Q162 E163 K169K161-I165 HydrophobicContact CG-CD1 4.1Å; K161-I165 WeakPolarHBondContact O-CD1 3.38Å; K161-I165 VanDerWaalsContact O-CG1 3.23Å; K161-I165 WeakPolarHBondContact O-CG1 3.47Å; K161-I165 PolarHBondContact O-N 3.27Å; Q162-I165 PolarHBondContact O-N 2.77Å; E163-I165 VanDerWaalsContact C-N 3.34Å; E163-I165 PolarHBondContact O-N 2.8Å; I165-K169 VanDerWaalsContact O-CB 3.32Å; I165-K169 WeakPolarHBondContact O-CB 3.45Å; I165-K169 PolarHBondContact O-N 3.38Å; I165-K169 VanDerWaalsContact O-N 3.16Å
166S71.8Confident72.3Confident57 Ų57132.1 Ų132.140%0.39962%0.623SS.*Hα-helixtrans-71.5-37.3173.444.80000112.9Q162 E163 L164 K169 M170Q162-S166 PolarHBondContact O-N 2.84Å; Q162-S166 PolarHBondContact O-OG 2.66Å; Q162-S166 VanDerWaalsContact O-OG 3.11Å; E163-S166 VanDerWaalsContact C-OG 3.31Å; E163-S166 VanDerWaalsContact CA-OG 3.28Å; E163-S166 WeakPolarHBondContact CA-OG 3.18Å; E163-S166 PolarHBondContact O-N 2.76Å; E163-S166 PolarHBondContact O-OG 3.03Å; L164-S166 VanDerWaalsContact C-N 3.35Å; S166-K169 PolarHBondContact O-N 3.08Å; S166-M170 PolarHBondContact O-N 3.17Å; S166-M170 VanDerWaalsContact O-N 3.09Å
167E74.6Confident70.1Confident114 Ų114135.7 Ų135.753%0.53364%0.637SS.*Hα-helixtrans-65.6-47.1175.5-74.7179.7155.100111.3E163 L164 K169 M170 E171E163-E167 WeakPolarHBondContact O-CG 3.49Å; E163-E167 PolarHBondContact O-N 2.77Å; L164-E167 PolarHBondContact O-N 2.64Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 2.71Å; E167-M170 PolarHBondContact O-N 2.92Å; E167-E171 PolarHBondContact O-N 3.43Å; E167-E171 VanDerWaalsContact O-N 3.09Å
168E72.5Confident68.1Low134 Ų134132.7 Ų132.763%0.62664%0.641SS**Hα-helixtrans-60.2-38.6175.6-76.8-178.6152.900112L164 E171 E172L164-E168 WeakPolarHBondContact O-CG 3.21Å; L164-E168 PolarHBondContact O-N 3.43Å; E168-E171 PolarHBondContact O-N 3.27Å; E168-E172 PolarHBondContact O-N 3.08Å; E168-E172 VanDerWaalsContact O-N 3.07Å
169K64.4Low65.7Low131 Ų131132.8 Ų132.857%0.5765%0.65SS**Hα-helixtrans-67.6-35.2177.9-171.5177178-174.10112.7I165 S166 E167 E172 E173I165-K169 VanDerWaalsContact O-CB 3.32Å; I165-K169 WeakPolarHBondContact O-CB 3.45Å; I165-K169 PolarHBondContact O-N 3.38Å; I165-K169 VanDerWaalsContact O-N 3.16Å; S166-K169 PolarHBondContact O-N 3.08Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 2.71Å; K169-E172 PolarHBondContact O-N 2.6Å; K169-E173 PolarHBondContact O-N 2.76Å; K169-E173 VanDerWaalsContact O-N 3.08Å
170M60.7Low63.7Low146 Ų146132.3 Ų132.372%0.71967%0.665SS**Hα-helixtrans-70.5-35.6175.4-99.3179.146.400112.7S166 E167 G174S166-M170 PolarHBondContact O-N 3.17Å; S166-M170 VanDerWaalsContact O-N 3.09Å; E167-M170 PolarHBondContact O-N 2.92Å; M170-G174 PolarHBondContact O-N 2.93Å
171E64.3Low61.5Low157 Ų157129.8 Ų129.873%0.73467%0.67SS**Hα-helixtrans-68.7-33.8173-89.6-172.3144.600112.5E167 E168E167-E171 PolarHBondContact O-N 3.43Å; E167-E171 VanDerWaalsContact O-N 3.09Å; E168-E171 PolarHBondContact O-N 3.27Å
172E60.4Low59.7Low154 Ų154127.4 Ų127.472%0.7268%0.677SS**Hα-helixtrans-73.5-41.3177.8-154.9177.4-16600112.2E168 K169E168-E172 PolarHBondContact O-N 3.08Å; E168-E172 VanDerWaalsContact O-N 3.07Å; K169-E172 PolarHBondContact O-N 2.6Å
173E57.9Low57.7Low137 Ų137130.8 Ų130.864%0.6469%0.693SS**Hα-helixtrans-69.8-33.4174.3-87.2-178.2155.700113K169 K175K169-E173 PolarHBondContact O-N 2.76Å; K169-E173 VanDerWaalsContact O-N 3.08Å; E173-K175 PolarHBondContact O-N 3.36Å
174G56.5Low55.6Low67 Ų67135.7 Ų135.769%0.69172%0.716SS**THydrogen-bonded Turntrans-71.4-6.617900000115.3M170M170-G174 PolarHBondContact O-N 2.93Å
175K55.6Low53.6Low187 Ų187133.9 Ų133.981%0.81372%0.722SS**THydrogen-bonded Turntrans-99.6-11.5-178.4-156.5172.8-179-177.60113.8E173E173-K175 PolarHBondContact O-N 3.36Å
176L56.5Low51.6Low142 Ų142135.5 Ų135.574%0.74374%0.736SS**SBendtrans-97132.1168.5-113.890.7000108.6
177E43.9Very low49.8Very low181 Ų181142.2 Ų142.285%0.84676%0.758SS**  trans94.8105.8179.4-44.9-120.5132.600114.3
178P46.7Very low47.9Very low122 Ų122144.5 Ų144.579%0.79277%0.773SS**  -137.4138.79536.3-23.7000113.6
179E36.5Very low46.7Very low197 Ų197143.4 Ų143.492%0.92178%0.778SS**  -174.5152.2120.2-106.2-173.3149.400112.1
180A40Very low45.4Very low97 Ų97150 Ų15080%0.80281%0.81SS**  trans-89.4151.2-152.700000116.1
181V37.4Very low44.6Very low138 Ų138150.2 Ų150.284%0.83682%0.815SS**  trans-17.6119.8156.1179.40000118.1
182A42.5Very low43.6Very low92 Ų92149.8 Ų149.876%0.7682%0.819SS**  trans30.4131.4130.100000123
183E36.9Very low42.7Very low205 Ų205149.6 Ų149.696%0.95883%0.825SS**  trans-124.8150.6142.6-121.3-161.3175.400110.9
184E35.2Very low41.8Very low196 Ų196150.3 Ų150.392%0.91684%0.835SS**  trans-107.4151.5-159.2-172.3-171.5168.400113
185G36.7Very low40.8Very low64 Ų64155.5 Ų155.566%0.6684%0.844SS**  trans97.1143.2151.200000116.6
186T33.2Very low39.9Very low127 Ų127153.4 Ų153.478%0.77985%0.847SS**  cis-178.3134.323.2-70.50000108.9
187K34.3Very low38.7Very low198 Ų198154.2 Ų154.286%0.86185%0.854SS**  trans148.4117.5134.8-96.2153.6-176.6-172.30114.7
188L33.5Very low38.3Very low163 Ų163152.2 Ų152.285%0.85386%0.855SS**  trans-73.8-178150.2-101.695.9000110.2
189P47.7Very low37.6Very low110 Ų110154.7 Ų154.771%0.71486%0.86SS**  cis-131.9166.8-19.230.1-11.3000113.5
190Q37.1Very low37.7Very low269 Ų269150.8 Ų150.8100%1.25785%0.854SS**  -1630127.1-132.5175.7-26.500111

Retrieved 190 of 190 residues in 272.1 ms (Link to these results)

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