X5J4J3_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4J3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 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
1P61.5Low86.7Confident94 Ų9474.8 Ų74.861%0.6145%0.446SS*.  0156.50-3.224.8000110.1V10 L12 T105 S106 V107P1-V10 HydrophobicContact CB-CG2 4.39Å; P1-L12 HydrophobicContact CB-CD2 4.17Å; P1-L12 HydrophobicContact CG-CD2 3.3Å; P1-T105 HydrophobicContact CB-CG2 4.25Å; P1-T105 HydrophobicContact CG-CG2 3.13Å; P1-S106 CarbonylContact C-O 3.6Å; P1-S106 VanDerWaalsContact C-O 3.23Å; P1-V107 HydrophobicContact CB-CG2 4.12Å; P1-V107 HydrophobicContact CG-CG2 4.45Å
2G80.4Confident87.5Confident38 Ų3868.9 Ų68.939%0.39241%0.411SS..  trans-152-128.9-172.900000108.3V4 T108G2-V4 PolarHBondContact O-N 3.36Å; G2-T108 PolarHBondContact O-N 3.06Å; G2-T108 VanDerWaalsContact O-N 3.16Å
3L85.8Confident88.3Confident131 Ų13169.2 Ų69.269%0.68641%0.414SS*.EExtended strand (participates in β ladder)trans-70.4126.8-178.9-156.167.9000111.8T108 S110L3-T108 CarbonylContact C-O 3.4Å; L3-T108 WeakPolarHBondContact CA-O 3.44Å; L3-T108 HydrophobicContact CD1-CG2 3.91Å; L3-S110 WeakPolarHBondContact CD1-OG 3.38Å; L3-S110 WeakPolarHBondContact CG-OG 3.39Å
4V88.2Confident88.9Confident22 Ų2265.3 Ų65.313%0.13339%0.391CS..EExtended strand (participates in β ladder)trans-125.8147.9175-1130000109.4G2 Q8 L79 V107 T108 V109 S110G2-V4 PolarHBondContact O-N 3.36Å; V4-Q8 HydrophobicContact CG1-CB 4.39Å; V4-L79 HydrophobicContact CB-CD1 4.21Å; V4-L79 HydrophobicContact CG1-CD1 4.32Å; V4-L79 HydrophobicContact CG2-CD1 4.08Å; V4-V107 HydrophobicContact CG2-CG1 3.59Å; V4-T108 WeakPolarHBondContact CG2-O 3.22Å; V4-T108 PolarHBondContact N-O 2.97Å; V4-V109 HydrophobicContact CG2-CG2 4.14Å; V4-V109 WeakPolarHBondContact O-CA 3.09Å; V4-S110 PolarHBondContact O-N 3.2Å; V4-S110 VanDerWaalsContact O-N 3.11Å
5K86.6Confident89.4Confident138 Ų13866.3 Ų66.360%0.640%0.397SS*.  trans-84.1154.8173.8-65.1-175.6177.5-175.50110.6Q8K5-Q8 HydrophobicContact CB-CG 4.06Å; K5-Q8 WeakPolarHBondContact O-CB 3.39Å; K5-Q8 WeakPolarHBondContact O-CG 3.41Å; K5-Q8 PolarHBondContact O-N 3.35Å
6P89Confident89.8Confident60 Ų6063.3 Ų63.339%0.3938%0.38SS..THydrogen-bonded Turntrans-53.6151.6171.3-25.434.4000112.2Q8 L79 V109 S110P6-Q8 PolarHBondContact O-N 3.34Å; P6-L79 WeakPolarHBondContact CA-O 3.5Å; P6-V109 HydrophobicContact CG-CG1 4.27Å; P6-S110 WeakPolarHBondContact CD-O 3.18Å
7S88.7Confident90Very high97 Ų9766.7 Ų66.768%0.67840%0.401SS*.THydrogen-bonded Turntrans65.6-0.4-179.1-510000115.8L79S7-L79 PolarHBondContact N-O 2.87Å
8Q90.9Very high90.1Very high89 Ų8968.2 Ų68.242%0.41643%0.433SS..  trans-76.5161.9172.6-65.4-168-50.500111.8V4 K5 P6 L79V4-Q8 HydrophobicContact CG1-CB 4.39Å; K5-Q8 HydrophobicContact CB-CG 4.06Å; K5-Q8 WeakPolarHBondContact O-CB 3.39Å; K5-Q8 WeakPolarHBondContact O-CG 3.41Å; K5-Q8 PolarHBondContact O-N 3.35Å; P6-Q8 PolarHBondContact O-N 3.34Å; Q8-L79 VanDerWaalsContact O-CG 3.31Å; Q8-L79 WeakPolarHBondContact O-CG 3.35Å; Q8-L79 PolarHBondContact O-N 2.87Å
9T92.9Very high90.1Very high73 Ų7366.9 Ų66.945%0.44842%0.422SS..  trans-97.8139.7170.1-64.40000109.6E75 M76 N77T9-E75 HydrophobicContact CG2-CG 3.61Å; T9-M76 VanDerWaalsContact CA-O 3.28Å; T9-M76 WeakPolarHBondContact CA-O 3.49Å; T9-N77 WeakPolarHBondContact CB-OD1 3.38Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.26Å; T9-N77 PolarHBondContact OG1-OD1 3.12Å
10V94Very high90.4Very high13 Ų1365.7 Ų65.78%0.07942%0.415CS..EExtended strand (participates in β ladder)trans-120.7139.9167.670.40000109.8P1 L12 E75 M76 L79P1-V10 HydrophobicContact CB-CG2 4.39Å; V10-L12 HydrophobicContact CG2-CD2 3.86Å; V10-E75 WeakPolarHBondContact O-CA 3.32Å; V10-M76 HydrophobicContact CG1-CB 4.19Å; V10-M76 HydrophobicContact CG1-CE 3.43Å; V10-M76 VanDerWaalsContact CG1-CE 3.43Å; V10-M76 PolarHBondContact N-O 3.13Å; V10-M76 PolarHBondContact O-N 3.01Å; V10-L79 HydrophobicContact CB-CD1 3.93Å; V10-L79 HydrophobicContact CG1-CD1 3.78Å; V10-L79 HydrophobicContact CG1-CD2 4.19Å; V10-L79 HydrophobicContact CG1-CG 4.44Å
11S95.5Very high90.6Very high68 Ų6862.6 Ų62.648%0.47640%0.396SS..EExtended strand (participates in β ladder)trans-116124.7171-171.10000109.1L74S11-L74 CarbonylContact C-O 3.58Å; S11-L74 WeakPolarHBondContact CA-O 3.3Å
12L96.9Very high92.2Very high4 Ų461.1 Ų61.12%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-108.8137.5178.7-54.6-175000109.3P1 V10 W30 F73 L74 M76 Y87 T105 V107P1-L12 HydrophobicContact CB-CD2 4.17Å; P1-L12 HydrophobicContact CG-CD2 3.3Å; V10-L12 HydrophobicContact CG2-CD2 3.86Å; L12-W30 HydrophobicContact CB-CH2 3.72Å; L12-W30 HydrophobicContact CB-CZ2 4.36Å; L12-W30 HydrophobicContact CB-CZ3 4.04Å; L12-W30 HydrophobicContact CD1-CZ3 4.32Å; L12-F73 CarbonylContact O-C 3.57Å; L12-F73 WeakPolarHBondContact O-CA 3.38Å; L12-L74 HydrophobicContact CB-CB 4.28Å; L12-L74 HydrophobicContact CD1-CD2 4.19Å; L12-L74 PolarHBondContact N-O 2.89Å; L12-L74 PolarHBondContact O-N 3.03Å; L12-M76 HydrophobicContact CD1-CE 4.45Å; L12-Y87 HydrophobicContact CD1-CD1 3.84Å; L12-Y87 HydrophobicContact CD1-CD2 4.08Å; L12-Y87 HydrophobicContact CD1-CG 3.49Å; L12-Y87 VanDerWaalsContact CD1-CG 3.49Å; L12-T105 HydrophobicContact CD2-CG2 4.07Å; L12-V107 HydrophobicContact CD1-CG2 4.37Å; L12-V107 HydrophobicContact CD2-CG2 4.11Å
13T97.3Very high92.8Very high73 Ų7361.9 Ų61.945%0.44838%0.382SS..EExtended strand (participates in β ladder)trans-115.9130.8-178.9-57.10000110Q71 F73T13-Q71 HydrophobicContact CG2-CB 4.43Å; T13-Q71 HydrophobicContact CG2-CG 4.13Å; T13-F73 HydrophobicContact CG2-CD1 3.86Å; T13-F73 HydrophobicContact CG2-CE1 3.47Å; T13-F73 VanDerWaalsContact CG2-CE1 3.47Å; T13-F73 HydrophobicContact CG2-CZ 4.35Å; T13-F73 VanDerWaalsContact OG1-CD1 3.3Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F73 WeakPolarHBondContact OG1-CE1 3.38Å
14C97.1Very high92.9Very high14 Ų1457.2 Ų57.210%0.09537%0.365CS..EExtended strand (participates in β ladder)trans-112.1120.6165.9-173.80000109.6W30 Q71 F72 C89C14-W30 HydrophobicContact CB-CH2 3.9Å; C14-W30 HydrophobicContact CB-CZ2 3.88Å; C14-Q71 VanDerWaalsContact O-CA 3.3Å; C14-Q71 WeakPolarHBondContact O-CA 3.47Å; C14-F72 HydrophobicContact CB-CD1 3.98Å; C14-F72 HydrophobicContact CB-CD2 4.37Å; C14-F72 HydrophobicContact CB-CE1 3.6Å; C14-F72 HydrophobicContact CB-CE2 4.02Å; C14-F72 HydrophobicContact CB-CG 4.37Å; C14-F72 HydrophobicContact CB-CZ 3.66Å; C14-F72 PolarHBondContact N-O 2.69Å; C14-F72 PolarHBondContact O-N 2.88Å; C14-F72 WeakPolarHBondContact SG-CE1 3.3Å; C14-F72 VanDerWaalsContact SG-CZ 3.53Å; C14-C89 HydrophobicContact CB-CB 3.38Å; C14-C89 WeakPolarHBondContact CB-SG 3.34Å; C14-C89 WeakPolarHBondContact SG-CB 3.44Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.34Å
15T96.9Very high92.9Very high80 Ų8059.4 Ų59.449%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-98.3122.9174.3-56.30000108.9Q71T15-Q71 HydrophobicContact CG2-CG 4.15Å; T15-Q71 WeakPolarHBondContact OG1-CG 3.27Å; T15-Q71 PolarHBondContact OG1-NE2 2.78Å
16V95.2Very high93.2Very high19 Ų1953.5 Ų53.512%0.11535%0.351CS..  trans-92.4136.8177.2-178.50000109I19 I21 W28 N70 F72V16-I19 HydrophobicContact CG1-CG2 3.83Å; V16-I19 WeakPolarHBondContact CG1-O 3.46Å; V16-I21 HydrophobicContact CB-CG2 3.75Å; V16-I21 HydrophobicContact CG1-CG2 4.34Å; V16-I21 HydrophobicContact CG2-CG2 3.48Å; V16-I21 VanDerWaalsContact CG2-CG2 3.48Å; V16-W28 HydrophobicContact CG1-CH2 3.73Å; V16-W28 HydrophobicContact CG1-CZ3 3.95Å; V16-W28 HydrophobicContact CG2-CE3 4Å; V16-W28 HydrophobicContact CG2-CH2 4.18Å; V16-W28 HydrophobicContact CG2-CZ3 3.74Å; V16-N70 PolarHBondContact N-O 2.84Å; V16-N70 PolarHBondContact O-ND2 3.43Å; V16-F72 HydrophobicContact CG2-CD1 4.13Å; V16-F72 HydrophobicContact CG2-CE1 3.72Å
17T93Very high93.4Very high121 Ų12152.3 Ų52.374%0.74234%0.338SS*.  trans-123.1154.1176.559.60000109.7I19T17-I19 PolarHBondContact O-N 3.14Å; T17-I19 VanDerWaalsContact O-N 3.08Å
18G91.3Very high93.7Very high94 Ų9448.1 Ų48.197%0.96931%0.308SS*.SBendtrans76.6-17178.600000116.2
19I91.6Very high94Very high43 Ų4344.1 Ų44.122%0.22129%0.29CS..SBendtrans-149.6154175.1-164.8158.2000111.6V16 T17 T23 Y26 W28 N70V16-I19 HydrophobicContact CG1-CG2 3.83Å; V16-I19 WeakPolarHBondContact CG1-O 3.46Å; T17-I19 PolarHBondContact O-N 3.14Å; T17-I19 VanDerWaalsContact O-N 3.08Å; I19-T23 HydrophobicContact CD1-CG2 4.11Å; I19-T23 HydrophobicContact CG1-CG2 4.37Å; I19-Y26 HydrophobicContact CD1-CD2 4.37Å; I19-Y26 HydrophobicContact CD1-CE2 3.36Å; I19-Y26 WeakPolarHBondContact CD1-OH 3.29Å; I19-Y26 HydrophobicContact CG1-CE2 4.24Å; I19-W28 HydrophobicContact CG2-CH2 4.02Å; I19-N70 PolarHBondContact O-ND2 2.86Å
20S94.6Very high94.1Very high42 Ų4240.8 Ų40.829%0.29427%0.269SS..  trans-77.8139.9174.9-179.90000111.9T22 T23 N70S20-T22 PolarHBondContact O-N 3.3Å; S20-T22 VanDerWaalsContact O-N 3.17Å; S20-T22 PolarHBondContact OG-N 2.83Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.16Å; S20-T23 WeakPolarHBondContact O-CB 3.4Å; S20-T23 PolarHBondContact O-N 3.4Å; S20-T23 PolarHBondContact O-OG1 3.14Å; S20-T23 VanDerWaalsContact O-OG1 3.13Å; S20-N70 WeakPolarHBondContact CA-OD1 3.26Å
21I95Very high94.2Very high1 Ų140.8 Ų40.81%0.00527%0.268CS..THydrogen-bonded Turntrans-64.9-14170.963.2172.6000113.4V16 W28 R65 T67 N70 Q71 F72V16-I21 HydrophobicContact CB-CG2 3.75Å; V16-I21 HydrophobicContact CG1-CG2 4.34Å; V16-I21 HydrophobicContact CG2-CG2 3.48Å; V16-I21 VanDerWaalsContact CG2-CG2 3.48Å; I21-W28 HydrophobicContact CB-CZ2 4.27Å; I21-W28 HydrophobicContact CG2-CD2 4.24Å; I21-W28 HydrophobicContact CG2-CZ2 4.12Å; I21-W28 PolarHBondContact O-NE1 2.8Å; I21-R65 HydrophobicContact CD1-CB 3.99Å; I21-T67 HydrophobicContact CD1-CG2 4.26Å; I21-T67 HydrophobicContact CG1-CG2 4.43Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N70 PolarHBondContact N-OD1 2.79Å; I21-Q71 VanDerWaalsContact CD1-O 3.28Å; I21-Q71 WeakPolarHBondContact CD1-O 3.36Å; I21-F72 HydrophobicContact CG2-CD1 4.39Å
22T95.3Very high94.2Very high64 Ų6438.3 Ų38.339%0.39325%0.248SC..THydrogen-bonded Turntrans-94.5-0.5174.761.30000113.2S20 G24 T67S20-T22 PolarHBondContact O-N 3.3Å; S20-T22 VanDerWaalsContact O-N 3.17Å; S20-T22 PolarHBondContact OG-N 2.83Å; S20-T22 VanDerWaalsContact OG-N 3.12Å; S20-T22 PolarHBondContact OG-OG1 3.16Å; T22-G24 PolarHBondContact O-N 3.49Å; T22-T67 HydrophobicContact CG2-CG2 3.45Å; T22-T67 VanDerWaalsContact CG2-CG2 3.45Å
23T92.2Very high94.2Very high54 Ų5440.1 Ų40.133%0.33126%0.256SS..SBendtrans-61.7133.5174.6-58.50000109.9I19 S20 Y26 Y47I19-T23 HydrophobicContact CD1-CG2 4.11Å; I19-T23 HydrophobicContact CG1-CG2 4.37Å; S20-T23 WeakPolarHBondContact O-CB 3.4Å; S20-T23 PolarHBondContact O-N 3.4Å; S20-T23 PolarHBondContact O-OG1 3.14Å; S20-T23 VanDerWaalsContact O-OG1 3.13Å; T23-Y26 HydrophobicContact CG2-CD2 4.02Å; T23-Y26 HydrophobicContact CG2-CE2 3.54Å; T23-Y26 VanDerWaalsContact O-CD2 3.26Å; T23-Y26 WeakPolarHBondContact O-CD2 3.48Å; T23-Y47 WeakPolarHBondContact O-CB 3.45Å
24G89.7Confident94.1Very high32 Ų3238.5 Ų38.533%0.3324%0.243SC..THydrogen-bonded Turntrans-54.8149.5-171.800000114.1T22 Y26T22-G24 PolarHBondContact O-N 3.49Å; G24-Y26 PolarHBondContact O-N 3.11Å
25N87.9Confident93.8Very high68 Ų6842.9 Ų42.936%0.36427%0.272SS..THydrogen-bonded Turntrans667175.9-57.4-30.6000116.7Y46 Y47 R93N25-Y46 PolarHBondContact OD1-OH 3Å; N25-Y47 VanDerWaalsContact N-CE1 3.31Å; N25-R93 HydrophobicContact CB-CG 4.24Å; N25-R93 WeakPolarHBondContact O-CA 3.34Å
26Y91.8Very high93.6Very high15 Ų1542.6 Ų42.66%0.05929%0.285CS..EExtended strand (participates in β ladder)trans-87.2137.4171.4-65-56.5000113I19 T23 G24 W28 Y46 Y47 R91 Y92 R93I19-Y26 HydrophobicContact CD1-CD2 4.37Å; I19-Y26 HydrophobicContact CD1-CE2 3.36Å; I19-Y26 WeakPolarHBondContact CD1-OH 3.29Å; I19-Y26 HydrophobicContact CG1-CE2 4.24Å; T23-Y26 HydrophobicContact CG2-CD2 4.02Å; T23-Y26 HydrophobicContact CG2-CE2 3.54Å; T23-Y26 VanDerWaalsContact O-CD2 3.26Å; T23-Y26 WeakPolarHBondContact O-CD2 3.48Å; G24-Y26 PolarHBondContact O-N 3.11Å; Y26-W28 HydrophobicContact CD2-CZ2 4.11Å; Y26-W28 HydrophobicContact CG-CZ2 4.08Å; Y26-Y46 WeakPolarHBondContact O-CD2 3.33Å; Y26-Y47 PolarHBondContact O-N 2.65Å; Y26-R91 HydrophobicContact CD1-CG 3.71Å; Y26-R91 HydrophobicContact CE1-CG 4.24Å; Y26-R91 HydrophobicContact CG-CG 4.29Å; Y26-Y92 CarbonylContact C-O 3.55Å; Y26-Y92 WeakPolarHBondContact CA-O 3.46Å; Y26-R93 HydrophobicContact CD1-CB 3.78Å; Y26-R93 HydrophobicContact CD1-CG 4.22Å; Y26-R93 HydrophobicContact CE1-CB 3.76Å; Y26-R93 HydrophobicContact CE1-CG 4.04Å
27R93.7Very high93.4Very high35 Ų3547.6 Ų47.613%0.13231%0.311CS..EExtended strand (participates in β ladder)trans-106.3131162.6-67.1175.6177.8121.73.5108.1Y44 Y46 Y92 Y94R27-Y44 HydrophobicContact CB-CD2 4.16Å; R27-Y44 HydrophobicContact CB-CG 4.17Å; R27-Y44 HydrophobicContact CG-CD2 3.96Å; R27-Y44 HydrophobicContact CG-CE2 4.08Å; R27-Y44 HydrophobicContact CG-CG 4.29Å; R27-Y46 HydrophobicContact CB-CD2 4.45Å; R27-Y46 HydrophobicContact CG-CD2 3.45Å; R27-Y46 VanDerWaalsContact CG-CD2 3.45Å; R27-Y46 HydrophobicContact CG-CE2 3.87Å; R27-Y92 HydrophobicContact CB-CD1 4.25Å; R27-Y92 HydrophobicContact CG-CD1 4.26Å; R27-Y92 PolarHBondContact N-O 3.21Å; R27-Y92 PolarHBondContact O-N 3.4Å; R27-Y94 PolarHBondContact NH2-OH 2.82Å
28W95.7Very high93.5Very high9 Ų948.2 Ų48.23%0.03430%0.303CS..EExtended strand (participates in β ladder)trans-106.6103.8176.1-56.3103.1000108.1V16 I19 I21 Y26 Y44 I45 F72 R91V16-W28 HydrophobicContact CG1-CH2 3.73Å; V16-W28 HydrophobicContact CG1-CZ3 3.95Å; V16-W28 HydrophobicContact CG2-CE3 4Å; V16-W28 HydrophobicContact CG2-CH2 4.18Å; V16-W28 HydrophobicContact CG2-CZ3 3.74Å; I19-W28 HydrophobicContact CG2-CH2 4.02Å; I21-W28 HydrophobicContact CB-CZ2 4.27Å; I21-W28 HydrophobicContact CG2-CD2 4.24Å; I21-W28 HydrophobicContact CG2-CZ2 4.12Å; I21-W28 PolarHBondContact O-NE1 2.8Å; Y26-W28 HydrophobicContact CD2-CZ2 4.11Å; Y26-W28 HydrophobicContact CG-CZ2 4.08Å; W28-Y44 CarbonylContact O-C 3.52Å; W28-Y44 WeakPolarHBondContact O-CA 3.49Å; W28-Y44 WeakPolarHBondContact O-CB 3.47Å; W28-I45 HydrophobicContact CB-CG2 3.95Å; W28-I45 PolarHBondContact N-O 2.74Å; W28-I45 PolarHBondContact O-N 2.04Å; W28-F72 HydrophobicContact CB-CD1 4.06Å; W28-F72 HydrophobicContact CB-CD2 4.04Å; W28-F72 HydrophobicContact CB-CE1 3.84Å; W28-F72 HydrophobicContact CB-CE2 3.84Å; W28-F72 HydrophobicContact CB-CG 4.13Å; W28-F72 HydrophobicContact CB-CZ 3.68Å; W28-F72 HydrophobicContact CD2-CE1 4.22Å; W28-F72 AromaticContact CE3-CE1 3.9Å; W28-F72 HydrophobicContact CE3-CE1 3.9Å; W28-F72 HydrophobicContact CE3-CZ 4.27Å; W28-F72 HydrophobicContact CG-CD1 4.38Å; W28-F72 HydrophobicContact CG-CE1 4.21Å; W28-F72 HydrophobicContact CG-CZ 4.47Å; W28-R91 HydrophobicContact CE3-CB 4.08Å; W28-R91 HydrophobicContact CE3-CG 4.06Å; W28-R91 HydrophobicContact CH2-CB 4.42Å; W28-R91 VanDerWaalsContact CH2-CD 3.48Å; W28-R91 HydrophobicContact CH2-CG 3.81Å; W28-R91 HydrophobicContact CZ2-CG 4.47Å; W28-R91 HydrophobicContact CZ3-CB 3.7Å; W28-R91 HydrophobicContact CZ3-CG 3.57Å
29S95.6Very high93.6Very high5 Ų548.1 Ų48.14%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-100.9150.2-169.7-65.10000111.6G43 Y44 C89 A90 M98S29-G43 WeakPolarHBondContact CA-O 3.46Å; S29-Y44 WeakPolarHBondContact OG-CB 3.42Å; S29-C89 CarbonylContact O-C 3.55Å; S29-C89 WeakPolarHBondContact O-CA 3.36Å; S29-A90 PolarHBondContact N-O 3.06Å; S29-A90 PolarHBondContact O-N 3.33Å; S29-M98 VanDerWaalsContact CB-CE 3.42Å
30W96.6Very high93.8Very high3 Ų348 Ų481%0.01128%0.279CS..EExtended strand (participates in β ladder)trans-108.8134.2164.3-73.7102000110L12 C14 T42 G43 F72 F73 L74 Y88 C89L12-W30 HydrophobicContact CB-CH2 3.72Å; L12-W30 HydrophobicContact CB-CZ2 4.36Å; L12-W30 HydrophobicContact CB-CZ3 4.04Å; L12-W30 HydrophobicContact CD1-CZ3 4.32Å; C14-W30 HydrophobicContact CB-CH2 3.9Å; C14-W30 HydrophobicContact CB-CZ2 3.88Å; W30-T42 PolarHBondContact O-N 2.95Å; W30-G43 PolarHBondContact N-O 2.93Å; W30-F72 HydrophobicContact CD2-CE2 4.4Å; W30-F72 AromaticContact CE2-CD2 3.86Å; W30-F72 AromaticContact CE2-CE2 3.77Å; W30-F72 HydrophobicContact CZ2-CD2 4.18Å; W30-F72 HydrophobicContact CZ2-CE2 4.18Å; W30-F72 AromaticContact NE1-CD2 3.33Å; W30-F72 VanDerWaalsContact NE1-CD2 3.33Å; W30-F72 AromaticContact NE1-CE2 3.54Å; W30-F73 PolarHBondContact NE1-O 3.17Å; W30-L74 HydrophobicContact CB-CD2 3.95Å; W30-L74 HydrophobicContact CD2-CB 3.59Å; W30-L74 HydrophobicContact CD2-CD2 3.88Å; W30-L74 HydrophobicContact CD2-CG 4.33Å; W30-L74 HydrophobicContact CE3-CB 4.19Å; W30-L74 HydrophobicContact CE3-CD2 4Å; W30-L74 HydrophobicContact CG-CB 3.82Å; W30-L74 HydrophobicContact CG-CD1 4.5Å; W30-L74 HydrophobicContact CG-CD2 3.87Å; W30-L74 HydrophobicContact CG-CG 4.3Å; W30-L74 HydrophobicContact CH2-CB 4.42Å; W30-L74 HydrophobicContact CZ2-CB 3.85Å; W30-Y88 WeakPolarHBondContact CA-O 3.2Å; W30-C89 HydrophobicContact CD2-CB 4.43Å; W30-C89 HydrophobicContact CE3-CB 4.14Å; W30-C89 HydrophobicContact CH2-CB 4.17Å; W30-C89 HydrophobicContact CZ2-CB 4.45Å; W30-C89 HydrophobicContact CZ3-CB 4.01Å
31I95.6Very high93.7Very high12 Ų1250 Ų506%0.06228%0.28CS..EExtended strand (participates in β ladder)trans-133.2135.1179-63.2-179.7000107.8L39 E40 Y87 Y88 M98 W101I31-L39 HydrophobicContact CG2-CB 4.24Å; I31-L39 HydrophobicContact CG2-CD2 3.84Å; I31-E40 WeakPolarHBondContact CA-O 3.37Å; I31-Y87 CarbonylContact O-C 3.57Å; I31-Y87 WeakPolarHBondContact O-CA 3.41Å; I31-Y88 PolarHBondContact N-O 2.8Å; I31-Y88 PolarHBondContact O-N 2.78Å; I31-M98 HydrophobicContact CD1-CE 3.37Å; I31-M98 HydrophobicContact CD1-SD 3.4Å; I31-M98 WeakPolarHBondContact CD1-SD 3.26Å; I31-M98 HydrophobicContact CG1-CE 4.23Å; I31-W101 HydrophobicContact CB-CH2 4.28Å; I31-W101 HydrophobicContact CB-CZ3 4.07Å; I31-W101 HydrophobicContact CD1-CH2 3.28Å; I31-W101 HydrophobicContact CD1-CZ2 3.88Å; I31-W101 HydrophobicContact CD1-CZ3 3.85Å; I31-W101 HydrophobicContact CG1-CH2 4.33Å; I31-W101 HydrophobicContact CG2-CH2 4.08Å; I31-W101 HydrophobicContact CG2-CZ3 4.05Å
32R95.2Very high93.7Very high16 Ų1650 Ų506%0.0628%0.28CS..EExtended strand (participates in β ladder)trans-108.2137.4171.964.5-175.5-178.7166.68.1110.8F34 L39 E40 D83 A85 T86 Y87R32-F34 HydrophobicContact CG-CE2 4.21Å; R32-F34 HydrophobicContact CG-CZ 4.04Å; R32-F34 VanDerWaalsContact NE-CZ 3.34Å; R32-L39 CarbonylContact O-C 3.6Å; R32-L39 WeakPolarHBondContact O-CA 3.34Å; R32-E40 HydrophobicContact CG-CB 4.07Å; R32-E40 IonicContact CZ-OE2 2.72Å; R32-E40 PolarHBondContact N-O 3.35Å; R32-E40 IonicContact NE-OE2 2.65Å; R32-E40 PolarHBondContact NE-OE2 3.44Å; R32-E40 IonicContact NH2-OE2 3.45Å; R32-E40 PolarHBondContact NH2-OE2 2.91Å; R32-E40 PolarHBondContact O-N 2.9Å; R32-D83 IonicContact NH1-OD1 3.79Å; R32-D83 PolarHBondContact NH1-OD1 2.84Å; R32-A85 HydrophobicContact CB-CB 3.9Å; R32-T86 CarbonylContact C-O 3.23Å; R32-T86 WeakPolarHBondContact CA-O 3.36Å; R32-Y87 HydrophobicContact CB-CD1 3.8Å; R32-Y87 HydrophobicContact CB-CE1 3.63Å; R32-Y87 HydrophobicContact CB-CE2 4.42Å; R32-Y87 HydrophobicContact CB-CG 4.29Å; R32-Y87 HydrophobicContact CG-CE1 4.37Å
33Q96.7Very high93.7Very high42 Ų4247 Ų4720%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-111.3116175.7-170-178.331.600109.2N37 K38 L39 A85 T86 Y88Q33-N37 PolarHBondContact NE2-OD1 2.72Å; Q33-K38 WeakPolarHBondContact CA-O 3.42Å; Q33-L39 HydrophobicContact CB-CD2 3.58Å; Q33-L39 HydrophobicContact CG-CD2 3.67Å; Q33-L39 HydrophobicContact CG-CG 4.48Å; Q33-A85 CarbonylContact O-C 3.53Å; Q33-A85 WeakPolarHBondContact O-CA 3.46Å; Q33-A85 WeakPolarHBondContact O-CB 3.41Å; Q33-T86 PolarHBondContact N-O 3.06Å; Q33-T86 PolarHBondContact O-N 3.17Å; Q33-Y88 HydrophobicContact CB-CD2 4.23Å; Q33-Y88 HydrophobicContact CB-CE2 3.62Å; Q33-Y88 PolarHBondContact OE1-OH 3.08Å
34F95.4Very high93.9Very high39 Ų3946.6 Ų46.617%0.17125%0.254CS..  trans-77.8160.6176.7-61.7-74.3000111.5R32 G36 N37 K38 E40 E82 A85R32-F34 HydrophobicContact CG-CE2 4.21Å; R32-F34 HydrophobicContact CG-CZ 4.04Å; R32-F34 VanDerWaalsContact NE-CZ 3.34Å; F34-G36 PolarHBondContact O-N 2.87Å; F34-N37 PolarHBondContact O-N 3.06Å; F34-K38 HydrophobicContact CB-CB 4.42Å; F34-K38 HydrophobicContact CD2-CB 4.26Å; F34-K38 HydrophobicContact CD2-CD 4.26Å; F34-K38 HydrophobicContact CD2-CG 4.26Å; F34-K38 WeakPolarHBondContact CD2-O 3.44Å; F34-K38 PolarHBondContact N-O 3.4Å; F34-E40 HydrophobicContact CE2-CB 3.77Å; F34-E82 VanDerWaalsContact CE1-O 3.27Å; F34-E82 WeakPolarHBondContact CE1-O 3.01Å; F34-A85 HydrophobicContact CD1-CB 4.06Å; F34-A85 HydrophobicContact CE1-CB 4.29Å
35P91.6Very high94.2Very high107 Ų10745.4 Ų45.470%0.69524%0.24SC*.THydrogen-bonded Turntrans-47.8133.9161.3-2534.8000110.4
36G92.8Very high94.6Very high74 Ų7444 Ų4476%0.76323%0.23SC*.THydrogen-bonded Turntrans87.213.9-172.600000115F34 K38F34-G36 PolarHBondContact O-N 2.87Å; G36-K38 PolarHBondContact O-N 3.26Å
37N90.1Very high94.7Very high124 Ų12447.1 Ų47.166%0.66324%0.242SC*.SBendtrans66.413.2170.9-59-46.3000116.2Q33 F34 L39Q33-N37 PolarHBondContact NE2-OD1 2.72Å; F34-N37 PolarHBondContact O-N 3.06Å; N37-L39 PolarHBondContact O-N 3.4Å
38K94.4Very high94.7Very high133 Ų13348.2 Ų48.258%0.57826%0.255SS*.  trans-69.2123.4171.5-177.8-176.1175.6-170.30109.4Q33 F34 G36Q33-K38 WeakPolarHBondContact CA-O 3.42Å; F34-K38 HydrophobicContact CB-CB 4.42Å; F34-K38 HydrophobicContact CD2-CB 4.26Å; F34-K38 HydrophobicContact CD2-CD 4.26Å; F34-K38 HydrophobicContact CD2-CG 4.26Å; F34-K38 WeakPolarHBondContact CD2-O 3.44Å; F34-K38 PolarHBondContact N-O 3.4Å; G36-K38 PolarHBondContact O-N 3.26Å
39L94.2Very high94.7Very high92 Ų9249 Ų4948%0.48227%0.266SS..EExtended strand (participates in β ladder)trans-95.7140.3173.8-66.6169.6000110.4I31 R32 Q33 N37 W101I31-L39 HydrophobicContact CG2-CB 4.24Å; I31-L39 HydrophobicContact CG2-CD2 3.84Å; R32-L39 CarbonylContact O-C 3.6Å; R32-L39 WeakPolarHBondContact O-CA 3.34Å; Q33-L39 HydrophobicContact CB-CD2 3.58Å; Q33-L39 HydrophobicContact CG-CD2 3.67Å; Q33-L39 HydrophobicContact CG-CG 4.48Å; N37-L39 PolarHBondContact O-N 3.4Å; L39-W101 HydrophobicContact CD1-CH2 4.43Å
40E94.8Very high94.7Very high41 Ų4152.8 Ų52.819%0.19229%0.289CS..EExtended strand (participates in β ladder)trans-134.7126171.4-176.1174.5-113.800109.9I31 R32 F34I31-E40 WeakPolarHBondContact CA-O 3.37Å; R32-E40 HydrophobicContact CG-CB 4.07Å; R32-E40 IonicContact CZ-OE2 2.72Å; R32-E40 PolarHBondContact N-O 3.35Å; R32-E40 IonicContact NE-OE2 2.65Å; R32-E40 PolarHBondContact NE-OE2 3.44Å; R32-E40 IonicContact NH2-OE2 3.45Å; R32-E40 PolarHBondContact NH2-OE2 2.91Å; R32-E40 PolarHBondContact O-N 2.9Å; F34-E40 HydrophobicContact CE2-CB 3.77Å
41W94.4Very high94.7Very high84 Ų8455.5 Ų55.532%0.31830%0.303SS..EExtended strand (participates in β ladder)trans-74.8131.4173.8173.973000110G43 Y44 T52 N54W41-G43 VanDerWaalsContact CE2-C 3.47Å; W41-G43 VanDerWaalsContact CE2-CA 3.42Å; W41-G43 VanDerWaalsContact NE1-C 3.3Å; W41-G43 PolarHBondContact NE1-O 2.86Å; W41-G43 VanDerWaalsContact NE1-O 3.08Å; W41-Y44 HydrophobicContact CH2-CD1 4.35Å; W41-Y44 AromaticContact CZ2-CD1 3.42Å; W41-Y44 HydrophobicContact CZ2-CD1 3.42Å; W41-Y44 VanDerWaalsContact CZ2-CD1 3.42Å; W41-Y44 HydrophobicContact CZ2-CE1 4.02Å; W41-Y44 HydrophobicContact CZ2-CG 4.22Å; W41-T52 HydrophobicContact CH2-CG2 4.04Å; W41-N54 HydrophobicContact CE3-CB 3.87Å; W41-N54 HydrophobicContact CZ3-CB 3.95Å; W41-N54 VanDerWaalsContact O-CB 3.24Å; W41-N54 WeakPolarHBondContact O-CB 3.44Å; W41-N54 PolarHBondContact O-ND2 3.08Å
42T94.5Very high94.7Very high1 Ų157.4 Ų57.41%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-96.3-40.2-177.7-57.30000112W30 N54 L57 T61 L74W30-T42 PolarHBondContact O-N 2.95Å; T42-N54 WeakPolarHBondContact O-CB 3.33Å; T42-N54 PolarHBondContact O-N 2.82Å; T42-L57 HydrophobicContact CG2-CD1 4.1Å; T42-T61 HydrophobicContact CG2-CG2 3.78Å; T42-L74 HydrophobicContact CG2-CD1 4.02Å; T42-L74 HydrophobicContact CG2-CD2 4.42Å
43G95.1Very high94.6Very high0 Ų059.6 Ų59.60%032%0.324CS..EExtended strand (participates in β ladder)trans167.5172-174.300000111.5S29 W30 W41 T52S29-G43 WeakPolarHBondContact CA-O 3.46Å; W30-G43 PolarHBondContact N-O 2.93Å; W41-G43 VanDerWaalsContact CE2-C 3.47Å; W41-G43 VanDerWaalsContact CE2-CA 3.42Å; W41-G43 VanDerWaalsContact NE1-C 3.3Å; W41-G43 PolarHBondContact NE1-O 2.86Å; W41-G43 VanDerWaalsContact NE1-O 3.08Å; G43-T52 CarbonylContact C-O 3.58Å; G43-T52 WeakPolarHBondContact CA-O 3.37Å
44Y95.4Very high94.4Very high47 Ų4758.8 Ų58.818%0.18432%0.321CS..EExtended strand (participates in β ladder)trans-141.2158.3169.171-110.9000111.7R27 W28 S29 W41 I51 T52R27-Y44 HydrophobicContact CB-CD2 4.16Å; R27-Y44 HydrophobicContact CB-CG 4.17Å; R27-Y44 HydrophobicContact CG-CD2 3.96Å; R27-Y44 HydrophobicContact CG-CE2 4.08Å; R27-Y44 HydrophobicContact CG-CG 4.29Å; W28-Y44 CarbonylContact O-C 3.52Å; W28-Y44 WeakPolarHBondContact O-CA 3.49Å; W28-Y44 WeakPolarHBondContact O-CB 3.47Å; S29-Y44 WeakPolarHBondContact OG-CB 3.42Å; W41-Y44 HydrophobicContact CH2-CD1 4.35Å; W41-Y44 AromaticContact CZ2-CD1 3.42Å; W41-Y44 HydrophobicContact CZ2-CD1 3.42Å; W41-Y44 VanDerWaalsContact CZ2-CD1 3.42Å; W41-Y44 HydrophobicContact CZ2-CE1 4.02Å; W41-Y44 HydrophobicContact CZ2-CG 4.22Å; Y44-I51 WeakPolarHBondContact O-CA 3.47Å; Y44-T52 HydrophobicContact CE1-CG2 4.35Å; Y44-T52 VanDerWaalsContact CZ-OG1 3.29Å; Y44-T52 PolarHBondContact N-O 2.66Å; Y44-T52 PolarHBondContact O-N 2.72Å; Y44-T52 PolarHBondContact OH-OG1 2.79Å; Y44-T52 VanDerWaalsContact OH-OG1 3.09Å
45I96.7Very high94.1Very high6 Ų662.4 Ų62.43%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-113.2126.9163-171.6162.4000109.7W28 I51 I63 R65 F72W28-I45 HydrophobicContact CB-CG2 3.95Å; W28-I45 PolarHBondContact N-O 2.74Å; W28-I45 PolarHBondContact O-N 2.04Å; I45-I51 HydrophobicContact CB-CG1 4.19Å; I45-I51 HydrophobicContact CD1-CD1 4.28Å; I45-I51 HydrophobicContact CD1-CG1 3.87Å; I45-I51 HydrophobicContact CG1-CG1 3.86Å; I45-I63 HydrophobicContact CB-CG2 3.89Å; I45-I63 HydrophobicContact CG2-CG2 4.03Å; I45-R65 HydrophobicContact CD1-CB 4.02Å; I45-R65 HydrophobicContact CD1-CG 3.73Å; I45-F72 HydrophobicContact CG2-CB 4.24Å
46Y95.8Very high93.9Very high39 Ų3961.8 Ų61.815%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-79.6159.7178.8-162-137.9000110.8N25 Y26 R27 S48 G49 T50 R65N25-Y46 PolarHBondContact OD1-OH 3Å; Y26-Y46 WeakPolarHBondContact O-CD2 3.33Å; R27-Y46 HydrophobicContact CB-CD2 4.45Å; R27-Y46 HydrophobicContact CG-CD2 3.45Å; R27-Y46 VanDerWaalsContact CG-CD2 3.45Å; R27-Y46 HydrophobicContact CG-CE2 3.87Å; Y46-S48 WeakPolarHBondContact CD1-OG 3.24Å; Y46-S48 PolarHBondContact O-N 3Å; Y46-S48 VanDerWaalsContact O-N 3.08Å; Y46-G49 WeakPolarHBondContact O-CA 3.4Å; Y46-G49 PolarHBondContact O-N 3.19Å; Y46-T50 WeakPolarHBondContact CB-O 3.06Å; Y46-T50 PolarHBondContact N-O 2.9Å; Y46-R65 PolarHBondContact O-NH1 3.18Å
47Y94.1Very high93.4Very high80 Ų8058.7 Ų58.731%0.31431%0.312SS..THydrogen-bonded Turntrans-56-28.8178.383.2-89.1000112.9T23 N25 Y26 G49 R65T23-Y47 WeakPolarHBondContact O-CB 3.45Å; N25-Y47 VanDerWaalsContact N-CE1 3.31Å; Y26-Y47 PolarHBondContact O-N 2.65Å; Y47-G49 PolarHBondContact O-N 3.44Å; Y47-R65 VanDerWaalsContact C-NH1 3.35Å; Y47-R65 PolarHBondContact O-NH1 3.05Å; Y47-R65 PolarHBondContact O-NH2 3.04Å
48S94.8Very high93.2Very high59 Ų5955.9 Ų55.941%0.41330%0.3SS..THydrogen-bonded Turntrans-71.7-16.7174.562.30000113.5Y46 T50 R65Y46-S48 WeakPolarHBondContact CD1-OG 3.24Å; Y46-S48 PolarHBondContact O-N 3Å; Y46-S48 VanDerWaalsContact O-N 3.08Å; S48-T50 PolarHBondContact OG-N 3.44Å; S48-T50 PolarHBondContact OG-OG1 2.81Å; S48-R65 PolarHBondContact O-NH2 3.04Å
49G95.2Very high92.9Very high25 Ų2554.9 Ų54.926%0.25831%0.31SS..SBendtrans97.1-2-171.700000113.8Y46 Y47 I51 R65Y46-G49 WeakPolarHBondContact O-CA 3.4Å; Y46-G49 PolarHBondContact O-N 3.19Å; Y47-G49 PolarHBondContact O-N 3.44Å; G49-I51 PolarHBondContact O-N 2.8Å; G49-R65 VanDerWaalsContact CA-CZ 3.49Å
50T95.7Very high92.7Very high84 Ų8453.4 Ų53.452%0.51530%0.298SS..  trans-65.2128.3174.1-53.70000110.3Y46 S48Y46-T50 WeakPolarHBondContact CB-O 3.06Å; Y46-T50 PolarHBondContact N-O 2.9Å; S48-T50 PolarHBondContact OG-N 3.44Å; S48-T50 PolarHBondContact OG-OG1 2.81Å
51I95.9Very high92.6Very high61 Ų6152 Ų5231%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-105.8143.5-179.5-59.2158.4000109.5Y44 I45 G49 Y53 I63Y44-I51 WeakPolarHBondContact O-CA 3.47Å; I45-I51 HydrophobicContact CB-CG1 4.19Å; I45-I51 HydrophobicContact CD1-CD1 4.28Å; I45-I51 HydrophobicContact CD1-CG1 3.87Å; I45-I51 HydrophobicContact CG1-CG1 3.86Å; G49-I51 PolarHBondContact O-N 2.8Å; I51-Y53 HydrophobicContact CB-CE2 4.35Å; I51-Y53 HydrophobicContact CG2-CD1 4.41Å; I51-Y53 HydrophobicContact CG2-CD2 4.04Å; I51-Y53 HydrophobicContact CG2-CE1 3.89Å; I51-Y53 HydrophobicContact CG2-CE2 3.47Å; I51-Y53 VanDerWaalsContact CG2-CE2 3.47Å; I51-Y53 HydrophobicContact CG2-CG 4.48Å; I51-I63 WeakPolarHBondContact CD1-O 2.97Å; I51-I63 HydrophobicContact CG2-CB 4.17Å
52T95.1Very high92.7Very high52 Ų5250.6 Ų50.632%0.31929%0.293SS..EExtended strand (participates in β ladder)trans-134.7132.5171-52.10000108.7W41 G43 Y44W41-T52 HydrophobicContact CH2-CG2 4.04Å; G43-T52 CarbonylContact C-O 3.58Å; G43-T52 WeakPolarHBondContact CA-O 3.37Å; Y44-T52 HydrophobicContact CE1-CG2 4.35Å; Y44-T52 VanDerWaalsContact CZ-OG1 3.29Å; Y44-T52 PolarHBondContact N-O 2.66Å; Y44-T52 PolarHBondContact O-N 2.72Å; Y44-T52 PolarHBondContact OH-OG1 2.79Å; Y44-T52 VanDerWaalsContact OH-OG1 3.09Å
53Y94.4Very high92.8Very high62 Ų6250.7 Ų50.724%0.24329%0.293CS..EExtended strand (participates in β ladder)trans-108.3155.3-177.5-63.2-80000111I51 P55 T58 T61 I63I51-Y53 HydrophobicContact CB-CE2 4.35Å; I51-Y53 HydrophobicContact CG2-CD1 4.41Å; I51-Y53 HydrophobicContact CG2-CD2 4.04Å; I51-Y53 HydrophobicContact CG2-CE1 3.89Å; I51-Y53 HydrophobicContact CG2-CE2 3.47Å; I51-Y53 VanDerWaalsContact CG2-CE2 3.47Å; I51-Y53 HydrophobicContact CG2-CG 4.48Å; Y53-P55 WeakPolarHBondContact O-CD 3.31Å; Y53-T58 WeakPolarHBondContact CB-OG1 3.19Å; Y53-T58 HydrophobicContact CD2-CG2 4.13Å; Y53-T58 HydrophobicContact CG-CG2 4.23Å; Y53-T61 HydrophobicContact CD1-CG2 4.4Å; Y53-T61 HydrophobicContact CE1-CG2 4.33Å; Y53-I63 HydrophobicContact CD1-CD1 4.25Å; Y53-I63 HydrophobicContact CE1-CB 4.25Å; Y53-I63 HydrophobicContact CE1-CD1 4.07Å; Y53-I63 HydrophobicContact CE1-CG1 3.97Å; Y53-I63 PolarHBondContact OH-N 3.29Å
54N92.3Very high92.9Very high25 Ų2554 Ų5413%0.13431%0.313CS..  trans-69.2122.3159.4-177.6-27.6000108.6W41 T42 S56 L57 T58W41-N54 HydrophobicContact CE3-CB 3.87Å; W41-N54 HydrophobicContact CZ3-CB 3.95Å; W41-N54 VanDerWaalsContact O-CB 3.24Å; W41-N54 WeakPolarHBondContact O-CB 3.44Å; W41-N54 PolarHBondContact O-ND2 3.08Å; T42-N54 WeakPolarHBondContact O-CB 3.33Å; T42-N54 PolarHBondContact O-N 2.82Å; N54-S56 PolarHBondContact O-N 3.44Å; N54-S56 PolarHBondContact OD1-N 2.89Å; N54-L57 HydrophobicContact CB-CD1 4.48Å; N54-L57 PolarHBondContact O-N 2.86Å; N54-T58 PolarHBondContact O-N 2.87Å; N54-T58 PolarHBondContact O-OG1 2.88Å; N54-T58 VanDerWaalsContact O-OG1 3.05Å
55P89.8Confident93Very high114 Ų11455.4 Ų55.474%0.7432%0.318SS*.THydrogen-bonded Turntrans-50.8-33.5-178.2-28.635.5000114.4Y53 L57Y53-P55 WeakPolarHBondContact O-CD 3.31Å; P55-L57 PolarHBondContact O-N 2.85Å
56S86.1Confident93Very high94 Ų9456.9 Ų56.966%0.65733%0.326SS*.THydrogen-bonded Turntrans-69.3-16.7179.6-59.40000114N54N54-S56 PolarHBondContact O-N 3.44Å; N54-S56 PolarHBondContact OD1-N 2.89Å
57L82.8Confident93Very high9 Ų958.7 Ų58.75%0.04734%0.341CS..THydrogen-bonded Turntrans-121.8-5.7-172.3-58.9174.7000113.9T42 N54 P55 S59 R60 T61T42-L57 HydrophobicContact CG2-CD1 4.1Å; N54-L57 HydrophobicContact CB-CD1 4.48Å; N54-L57 PolarHBondContact O-N 2.86Å; P55-L57 PolarHBondContact O-N 2.85Å; L57-S59 VanDerWaalsContact C-N 3.27Å; L57-S59 PolarHBondContact O-N 3.08Å; L57-R60 PolarHBondContact O-N 2.91Å; L57-T61 VanDerWaalsContact O-CB 3.23Å; L57-T61 WeakPolarHBondContact O-CB 3.5Å; L57-T61 PolarHBondContact O-N 2.9Å; L57-T61 PolarHBondContact O-OG1 3.29Å
58T84.9Confident93.1Very high65 Ų6559.7 Ų59.740%0.39936%0.36SS..THydrogen-bonded Turntrans-56.5-34.7-174.2-52.50000113.9Y53 N54 R60Y53-T58 WeakPolarHBondContact CB-OG1 3.19Å; Y53-T58 HydrophobicContact CD2-CG2 4.13Å; Y53-T58 HydrophobicContact CG-CG2 4.23Å; N54-T58 PolarHBondContact O-N 2.87Å; N54-T58 PolarHBondContact O-OG1 2.88Å; N54-T58 VanDerWaalsContact O-OG1 3.05Å; T58-R60 VanDerWaalsContact C-N 3.29Å; T58-R60 PolarHBondContact O-N 2.75Å
59S88.3Confident93.2Very high112 Ų11262.8 Ų62.878%0.78337%0.366SS*.THydrogen-bonded Turntrans-71-22.1-17458.10000114.4L57L57-S59 VanDerWaalsContact C-N 3.27Å; L57-S59 PolarHBondContact O-N 3.08Å
60R90.7Very high93.3Very high62 Ų6263.1 Ų63.123%0.23436%0.362CS..THydrogen-bonded Turntrans-119.1-1.3-174.2-63.4-170.3-62.1129.64.8113.5L57 T58 M76 N77 S78 D83L57-R60 PolarHBondContact O-N 2.91Å; T58-R60 VanDerWaalsContact C-N 3.29Å; T58-R60 PolarHBondContact O-N 2.75Å; R60-M76 WeakPolarHBondContact O-CA 3.45Å; R60-N77 PolarHBondContact O-N 2.79Å; R60-S78 PolarHBondContact NH1-O 2.89Å; R60-D83 IonicContact CZ-OD1 3.1Å; R60-D83 IonicContact CZ-OD2 3.08Å; R60-D83 IonicContact NH1-OD1 2.66Å; R60-D83 IonicContact NH1-OD2 2.86Å; R60-D83 PolarHBondContact NH1-OD2 2.75Å; R60-D83 IonicContact NH2-OD1 3.91Å; R60-D83 PolarHBondContact NH2-OD1 3.09Å; R60-D83 VanDerWaalsContact NH2-OD1 3.08Å; R60-D83 IonicContact NH2-OD2 2.72Å; R60-D83 PolarHBondContact NH2-OD2 3.41Å
61T93.2Very high93.4Very high10 Ų1061 Ų616%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-116.6137.8-169.7-54.90000111.3T42 Y53 L57 I63 L74 E75T42-T61 HydrophobicContact CG2-CG2 3.78Å; Y53-T61 HydrophobicContact CD1-CG2 4.4Å; Y53-T61 HydrophobicContact CE1-CG2 4.33Å; L57-T61 VanDerWaalsContact O-CB 3.23Å; L57-T61 WeakPolarHBondContact O-CB 3.5Å; L57-T61 PolarHBondContact O-N 2.9Å; L57-T61 PolarHBondContact O-OG1 3.29Å; T61-I63 HydrophobicContact CG2-CG1 4.47Å; T61-L74 HydrophobicContact CG2-CD1 3.24Å; T61-E75 CarbonylContact C-O 3.53Å; T61-E75 WeakPolarHBondContact CA-O 3.16Å
62T95.9Very high93.4Very high56 Ų5658.1 Ų58.134%0.34433%0.332SS..EExtended strand (participates in β ladder)trans-132.2129172-61.50000109.7T64 E75T62-T64 HydrophobicContact CG2-CG2 3.95Å; T62-E75 PolarHBondContact N-O 2.95Å; T62-E75 PolarHBondContact O-N 2.84Å
63I96.9Very high93.6Very high2 Ų257.3 Ų57.31%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-111.3129.5176.2-64.3171.1000108.3I45 I51 Y53 T61 F73 L74I45-I63 HydrophobicContact CB-CG2 3.89Å; I45-I63 HydrophobicContact CG2-CG2 4.03Å; I51-I63 WeakPolarHBondContact CD1-O 2.97Å; I51-I63 HydrophobicContact CG2-CB 4.17Å; Y53-I63 HydrophobicContact CD1-CD1 4.25Å; Y53-I63 HydrophobicContact CE1-CB 4.25Å; Y53-I63 HydrophobicContact CE1-CD1 4.07Å; Y53-I63 HydrophobicContact CE1-CG1 3.97Å; Y53-I63 PolarHBondContact OH-N 3.29Å; T61-I63 HydrophobicContact CG2-CG1 4.47Å; I63-F73 WeakPolarHBondContact CA-O 3.44Å; I63-L74 HydrophobicContact CG1-CD1 4.03Å
64T96.8Very high93.7Very high70 Ų7054.3 Ų54.343%0.42931%0.312SS..EExtended strand (participates in β ladder)trans-135.3172.7178.9650000111.2T62 F72 F73T62-T64 HydrophobicContact CG2-CG2 3.95Å; T64-F72 CarbonylContact O-C 3.57Å; T64-F72 VanDerWaalsContact O-CA 3.32Å; T64-F72 WeakPolarHBondContact O-CA 3.49Å; T64-F72 WeakPolarHBondContact O-CB 3.4Å; T64-F73 PolarHBondContact N-O 2.82Å; T64-F73 VanDerWaalsContact N-O 3.17Å; T64-F73 PolarHBondContact O-N 3.42Å
65R96.8Very high93.9Very high76 Ų7656.8 Ų56.829%0.28732%0.323SS..EExtended strand (participates in β ladder)trans-144152.1174.668.8177.7-175.8-1763.3112.7I21 I45 Y46 Y47 S48 G49 T67 Q71 F72I21-R65 HydrophobicContact CD1-CB 3.99Å; I45-R65 HydrophobicContact CD1-CB 4.02Å; I45-R65 HydrophobicContact CD1-CG 3.73Å; Y46-R65 PolarHBondContact O-NH1 3.18Å; Y47-R65 VanDerWaalsContact C-NH1 3.35Å; Y47-R65 PolarHBondContact O-NH1 3.05Å; Y47-R65 PolarHBondContact O-NH2 3.04Å; S48-R65 PolarHBondContact O-NH2 3.04Å; G49-R65 VanDerWaalsContact CA-CZ 3.49Å; R65-T67 HydrophobicContact CG-CG2 4.38Å; R65-Q71 CarbonylContact C-O 3.59Å; R65-Q71 WeakPolarHBondContact CA-O 3.41Å; R65-Q71 WeakPolarHBondContact CB-O 3.23Å; R65-F72 HydrophobicContact CB-CB 4.1Å
66D97Very high94.1Very high38 Ų3851.6 Ų51.620%0.20329%0.289CS..EExtended strand (participates in β ladder)trans-120.9103.2168.2-176.3-18.8000107.8S68 K69 N70 Q71 F73D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.05Å; D66-S68 WeakPolarHBondContact OD1-CB 3.25Å; D66-S68 PolarHBondContact OD1-N 3.21Å; D66-S68 PolarHBondContact OD1-OG 2.88Å; D66-K69 HydrophobicContact CB-CB 4.35Å; D66-K69 PolarHBondContact O-N 3.3Å; D66-K69 PolarHBondContact OD1-N 3.08Å; D66-K69 WeakPolarHBondContact OD2-CD 3.45Å; D66-K69 VanDerWaalsContact OD2-CE 3.27Å; D66-K69 WeakPolarHBondContact OD2-CE 3.37Å; D66-K69 WeakPolarHBondContact OD2-CG 3.32Å; D66-K69 IonicContact OD2-NZ 3.54Å; D66-K69 PolarHBondContact OD2-NZ 2.96Å; D66-N70 PolarHBondContact O-N 3.05Å; D66-Q71 PolarHBondContact N-O 2.93Å; D66-Q71 PolarHBondContact O-N 2.91Å; D66-F73 HydrophobicContact CB-CE2 3.77Å; D66-F73 HydrophobicContact CB-CZ 4.2Å
67T96.1Very high94.4Very high76 Ų7649.4 Ų49.447%0.46627%0.27SS..THydrogen-bonded Turntrans-72.8-21.5-178.554.20000112.6I21 T22 R65 K69I21-T67 HydrophobicContact CD1-CG2 4.26Å; I21-T67 HydrophobicContact CG1-CG2 4.43Å; T22-T67 HydrophobicContact CG2-CG2 3.45Å; T22-T67 VanDerWaalsContact CG2-CG2 3.45Å; R65-T67 HydrophobicContact CG-CG2 4.38Å; T67-K69 VanDerWaalsContact C-N 3.33Å
68S96.3Very high94.8Very high101 Ų10152.3 Ų52.371%0.70629%0.29SS*.THydrogen-bonded Turntrans-72.4-31.3176.375.40000111.7D66D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.05Å; D66-S68 WeakPolarHBondContact OD1-CB 3.25Å; D66-S68 PolarHBondContact OD1-N 3.21Å; D66-S68 PolarHBondContact OD1-OG 2.88Å
69K97.3Very high95.1Very high125 Ų12549.2 Ų49.254%0.54327%0.272SS..THydrogen-bonded Turntrans-99.5-2.1178.4-62.4-178.6-167.9156.40113.9D66 T67 Q71D66-K69 HydrophobicContact CB-CB 4.35Å; D66-K69 PolarHBondContact O-N 3.3Å; D66-K69 PolarHBondContact OD1-N 3.08Å; D66-K69 WeakPolarHBondContact OD2-CD 3.45Å; D66-K69 VanDerWaalsContact OD2-CE 3.27Å; D66-K69 WeakPolarHBondContact OD2-CE 3.37Å; D66-K69 WeakPolarHBondContact OD2-CG 3.32Å; D66-K69 IonicContact OD2-NZ 3.54Å; D66-K69 PolarHBondContact OD2-NZ 2.96Å; T67-K69 VanDerWaalsContact C-N 3.33Å; K69-Q71 VanDerWaalsContact C-N 3.27Å; K69-Q71 HydrophobicContact CB-CB 4.3Å; K69-Q71 HydrophobicContact CB-CG 4.11Å; K69-Q71 PolarHBondContact O-N 3.02Å
70N97.1Very high95.3Very high32 Ų3246.6 Ų46.617%0.17125%0.251CS..THydrogen-bonded Turntrans56.342.6-174.8-155.139.2000112.9V16 I19 S20 I21 D66V16-N70 PolarHBondContact N-O 2.84Å; V16-N70 PolarHBondContact O-ND2 3.43Å; I19-N70 PolarHBondContact O-ND2 2.86Å; S20-N70 WeakPolarHBondContact CA-OD1 3.26Å; I21-N70 WeakPolarHBondContact CG2-OD1 3.41Å; I21-N70 PolarHBondContact N-OD1 2.79Å; D66-N70 PolarHBondContact O-N 3.05Å
71Q97.8Very high95.4Very high39 Ų3947.1 Ų47.118%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-123.5149.8-173.7-77.8171.2-10.300111.9T13 C14 T15 I21 R65 D66 K69 F73T13-Q71 HydrophobicContact CG2-CB 4.43Å; T13-Q71 HydrophobicContact CG2-CG 4.13Å; C14-Q71 VanDerWaalsContact O-CA 3.3Å; C14-Q71 WeakPolarHBondContact O-CA 3.47Å; T15-Q71 HydrophobicContact CG2-CG 4.15Å; T15-Q71 WeakPolarHBondContact OG1-CG 3.27Å; T15-Q71 PolarHBondContact OG1-NE2 2.78Å; I21-Q71 VanDerWaalsContact CD1-O 3.28Å; I21-Q71 WeakPolarHBondContact CD1-O 3.36Å; R65-Q71 CarbonylContact C-O 3.59Å; R65-Q71 WeakPolarHBondContact CA-O 3.41Å; R65-Q71 WeakPolarHBondContact CB-O 3.23Å; D66-Q71 PolarHBondContact N-O 2.93Å; D66-Q71 PolarHBondContact O-N 2.91Å; K69-Q71 VanDerWaalsContact C-N 3.27Å; K69-Q71 HydrophobicContact CB-CB 4.3Å; K69-Q71 HydrophobicContact CB-CG 4.11Å; K69-Q71 PolarHBondContact O-N 3.02Å; Q71-F73 HydrophobicContact CB-CE1 4.3Å; Q71-F73 HydrophobicContact CB-CE2 3.98Å; Q71-F73 HydrophobicContact CB-CZ 3.63Å
72F97Very high95.3Very high1 Ų154 Ų540%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-135.2151.8166.366.6-79.1000110.6C14 V16 I21 W28 W30 I45 T64 R65 C89C14-F72 HydrophobicContact CB-CD1 3.98Å; C14-F72 HydrophobicContact CB-CD2 4.37Å; C14-F72 HydrophobicContact CB-CE1 3.6Å; C14-F72 HydrophobicContact CB-CE2 4.02Å; C14-F72 HydrophobicContact CB-CG 4.37Å; C14-F72 HydrophobicContact CB-CZ 3.66Å; C14-F72 PolarHBondContact N-O 2.69Å; C14-F72 PolarHBondContact O-N 2.88Å; C14-F72 WeakPolarHBondContact SG-CE1 3.3Å; C14-F72 VanDerWaalsContact SG-CZ 3.53Å; V16-F72 HydrophobicContact CG2-CD1 4.13Å; V16-F72 HydrophobicContact CG2-CE1 3.72Å; I21-F72 HydrophobicContact CG2-CD1 4.39Å; W28-F72 HydrophobicContact CB-CD1 4.06Å; W28-F72 HydrophobicContact CB-CD2 4.04Å; W28-F72 HydrophobicContact CB-CE1 3.84Å; W28-F72 HydrophobicContact CB-CE2 3.84Å; W28-F72 HydrophobicContact CB-CG 4.13Å; W28-F72 HydrophobicContact CB-CZ 3.68Å; W28-F72 HydrophobicContact CD2-CE1 4.22Å; W28-F72 AromaticContact CE3-CE1 3.9Å; W28-F72 HydrophobicContact CE3-CE1 3.9Å; W28-F72 HydrophobicContact CE3-CZ 4.27Å; W28-F72 HydrophobicContact CG-CD1 4.38Å; W28-F72 HydrophobicContact CG-CE1 4.21Å; W28-F72 HydrophobicContact CG-CZ 4.47Å; W30-F72 HydrophobicContact CD2-CE2 4.4Å; W30-F72 AromaticContact CE2-CD2 3.86Å; W30-F72 AromaticContact CE2-CE2 3.77Å; W30-F72 HydrophobicContact CZ2-CD2 4.18Å; W30-F72 HydrophobicContact CZ2-CE2 4.18Å; W30-F72 AromaticContact NE1-CD2 3.33Å; W30-F72 VanDerWaalsContact NE1-CD2 3.33Å; W30-F72 AromaticContact NE1-CE2 3.54Å; I45-F72 HydrophobicContact CG2-CB 4.24Å; T64-F72 CarbonylContact O-C 3.57Å; T64-F72 VanDerWaalsContact O-CA 3.32Å; T64-F72 WeakPolarHBondContact O-CA 3.49Å; T64-F72 WeakPolarHBondContact O-CB 3.4Å; R65-F72 HydrophobicContact CB-CB 4.1Å; F72-C89 HydrophobicContact CE1-CB 4.46Å; F72-C89 HydrophobicContact CE2-CB 3.85Å; F72-C89 HydrophobicContact CZ-CB 3.52Å
73F97.4Very high95.1Very high34 Ų3451.5 Ų51.515%0.14928%0.284CS..EExtended strand (participates in β ladder)trans-127.7151.2-164.8-49.1-91.2000111.1L12 T13 W30 I63 T64 D66 Q71L12-F73 CarbonylContact O-C 3.57Å; L12-F73 WeakPolarHBondContact O-CA 3.38Å; T13-F73 HydrophobicContact CG2-CD1 3.86Å; T13-F73 HydrophobicContact CG2-CE1 3.47Å; T13-F73 VanDerWaalsContact CG2-CE1 3.47Å; T13-F73 HydrophobicContact CG2-CZ 4.35Å; T13-F73 VanDerWaalsContact OG1-CD1 3.3Å; T13-F73 WeakPolarHBondContact OG1-CD1 3.36Å; T13-F73 WeakPolarHBondContact OG1-CE1 3.38Å; W30-F73 PolarHBondContact NE1-O 3.17Å; I63-F73 WeakPolarHBondContact CA-O 3.44Å; T64-F73 PolarHBondContact N-O 2.82Å; T64-F73 VanDerWaalsContact N-O 3.17Å; T64-F73 PolarHBondContact O-N 3.42Å; D66-F73 HydrophobicContact CB-CE2 3.77Å; D66-F73 HydrophobicContact CB-CZ 4.2Å; Q71-F73 HydrophobicContact CB-CE1 4.3Å; Q71-F73 HydrophobicContact CB-CE2 3.98Å; Q71-F73 HydrophobicContact CB-CZ 3.63Å
74L97.3Very high95Very high0 Ų053.1 Ų53.10%030%0.295CS..EExtended strand (participates in β ladder)trans-124.3114.6169.4171.365.5000108.1S11 L12 W30 T42 T61 I63 M76 Y87S11-L74 CarbonylContact C-O 3.58Å; S11-L74 WeakPolarHBondContact CA-O 3.3Å; L12-L74 HydrophobicContact CB-CB 4.28Å; L12-L74 HydrophobicContact CD1-CD2 4.19Å; L12-L74 PolarHBondContact N-O 2.89Å; L12-L74 PolarHBondContact O-N 3.03Å; W30-L74 HydrophobicContact CB-CD2 3.95Å; W30-L74 HydrophobicContact CD2-CB 3.59Å; W30-L74 HydrophobicContact CD2-CD2 3.88Å; W30-L74 HydrophobicContact CD2-CG 4.33Å; W30-L74 HydrophobicContact CE3-CB 4.19Å; W30-L74 HydrophobicContact CE3-CD2 4Å; W30-L74 HydrophobicContact CG-CB 3.82Å; W30-L74 HydrophobicContact CG-CD1 4.5Å; W30-L74 HydrophobicContact CG-CD2 3.87Å; W30-L74 HydrophobicContact CG-CG 4.3Å; W30-L74 HydrophobicContact CH2-CB 4.42Å; W30-L74 HydrophobicContact CZ2-CB 3.85Å; T42-L74 HydrophobicContact CG2-CD1 4.02Å; T42-L74 HydrophobicContact CG2-CD2 4.42Å; T61-L74 HydrophobicContact CG2-CD1 3.24Å; I63-L74 HydrophobicContact CG1-CD1 4.03Å; L74-M76 HydrophobicContact CD1-CG 4.22Å; L74-M76 HydrophobicContact CD2-CG 4.46Å; L74-M76 HydrophobicContact CD2-SD 4.29Å; L74-M76 HydrophobicContact CG-CG 4.14Å; L74-Y87 HydrophobicContact CD2-CD1 3.7Å; L74-Y87 HydrophobicContact CD2-CE1 4.06Å
75E95.8Very high94.9Very high76 Ų7650 Ų5036%0.35528%0.276SS..EExtended strand (participates in β ladder)trans-102.1132169.8-172175.394.200109.4T9 V10 T61 T62T9-E75 HydrophobicContact CG2-CG 3.61Å; V10-E75 WeakPolarHBondContact O-CA 3.32Å; T61-E75 CarbonylContact C-O 3.53Å; T61-E75 WeakPolarHBondContact CA-O 3.16Å; T62-E75 PolarHBondContact N-O 2.95Å; T62-E75 PolarHBondContact O-N 2.84Å
76M93.8Very high95Very high6 Ų648.1 Ų48.13%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-126.1125.8174-63.5179.3-62.800109.4T9 V10 L12 R60 L74 L79 Y87T9-M76 VanDerWaalsContact CA-O 3.28Å; T9-M76 WeakPolarHBondContact CA-O 3.49Å; V10-M76 HydrophobicContact CG1-CB 4.19Å; V10-M76 HydrophobicContact CG1-CE 3.43Å; V10-M76 VanDerWaalsContact CG1-CE 3.43Å; V10-M76 PolarHBondContact N-O 3.13Å; V10-M76 PolarHBondContact O-N 3.01Å; L12-M76 HydrophobicContact CD1-CE 4.45Å; R60-M76 WeakPolarHBondContact O-CA 3.45Å; L74-M76 HydrophobicContact CD1-CG 4.22Å; L74-M76 HydrophobicContact CD2-CG 4.46Å; L74-M76 HydrophobicContact CD2-SD 4.29Å; L74-M76 HydrophobicContact CG-CG 4.14Å; M76-L79 HydrophobicContact CB-CD2 4.03Å; M76-L79 HydrophobicContact CE-CD2 4.1Å; M76-Y87 HydrophobicContact CE-CD1 4.14Å; M76-Y87 HydrophobicContact CE-CE1 3.42Å; M76-Y87 VanDerWaalsContact CE-CE1 3.42Å; M76-Y87 HydrophobicContact CE-CE2 3.95Å; M76-Y87 WeakPolarHBondContact CE-OH 3.41Å; M76-Y87 HydrophobicContact SD-CD1 4.38Å; M76-Y87 HydrophobicContact SD-CE1 3.37Å; M76-Y87 WeakPolarHBondContact SD-CE1 3.38Å; M76-Y87 VanDerWaalsContact SD-CZ 3.58Å; M76-Y87 PolarHBondContact SD-OH 3.2Å
77N93.4Very high95Very high48 Ų4846.3 Ų46.326%0.25726%0.263SS..  trans-103.1155.5-178.2-63.5-44.4000110.8T9 R60 L79T9-N77 WeakPolarHBondContact CB-OD1 3.38Å; T9-N77 WeakPolarHBondContact CG2-OD1 3.26Å; T9-N77 PolarHBondContact OG1-OD1 3.12Å; R60-N77 PolarHBondContact O-N 2.79Å; N77-L79 PolarHBondContact O-N 2.92Å
78S91.8Very high95Very high69 Ų6945 Ų4548%0.48325%0.25SC..SBendtrans53.553.8176.1-570000112.5R60R60-S78 PolarHBondContact NH1-O 2.89Å
79L91.6Very high95Very high1 Ų141 Ų411%0.00522%0.222CC..  trans-60.2140.8-178.1-73.3170.3000112.6V4 P6 S7 Q8 V10 M76 N77 D83 V109V4-L79 HydrophobicContact CB-CD1 4.21Å; V4-L79 HydrophobicContact CG1-CD1 4.32Å; V4-L79 HydrophobicContact CG2-CD1 4.08Å; P6-L79 WeakPolarHBondContact CA-O 3.5Å; S7-L79 PolarHBondContact N-O 2.87Å; Q8-L79 VanDerWaalsContact O-CG 3.31Å; Q8-L79 WeakPolarHBondContact O-CG 3.35Å; Q8-L79 PolarHBondContact O-N 2.87Å; V10-L79 HydrophobicContact CB-CD1 3.93Å; V10-L79 HydrophobicContact CG1-CD1 3.78Å; V10-L79 HydrophobicContact CG1-CD2 4.19Å; V10-L79 HydrophobicContact CG1-CG 4.44Å; M76-L79 HydrophobicContact CB-CD2 4.03Å; M76-L79 HydrophobicContact CE-CD2 4.1Å; N77-L79 PolarHBondContact O-N 2.92Å; L79-D83 WeakPolarHBondContact CA-OD2 3.28Å; L79-D83 HydrophobicContact CD2-CB 3.65Å; L79-V109 HydrophobicContact CB-CG1 4.35Å; L79-V109 HydrophobicContact CB-CG2 4.03Å; L79-V109 HydrophobicContact CD1-CG2 4.3Å
80T92.2Very high94.9Very high56 Ų5635.2 Ų35.234%0.34420%0.197SC..  trans-120.1169.3173.171.20000110.6E82 D83 V109T80-E82 PolarHBondContact O-N 2.96Å; T80-E82 VanDerWaalsContact O-N 3.14Å; T80-E82 PolarHBondContact OG1-N 2.84Å; T80-D83 PolarHBondContact N-OD2 2.78Å; T80-D83 WeakPolarHBondContact O-CB 3.41Å; T80-D83 PolarHBondContact O-N 3.34Å; T80-D83 PolarHBondContact OG1-OD2 2.78Å; T80-V109 WeakPolarHBondContact O-CB 3.36Å; T80-V109 WeakPolarHBondContact O-CG2 3.27Å
81A91.7Very high94.7Very high73 Ų7335.2 Ų35.260%0.60320%0.195SC*.G310 helixtrans-55.5-30.5175.200000112.5D83 T84A81-D83 PolarHBondContact O-N 2.9Å; A81-T84 VanDerWaalsContact O-CB 3.26Å; A81-T84 WeakPolarHBondContact O-CB 3.5Å; A81-T84 PolarHBondContact O-N 2.83Å; A81-T84 VanDerWaalsContact O-N 3.14Å; A81-T84 PolarHBondContact O-OG1 2.83Å
82E90.4Very high94.3Very high155 Ų15536.5 Ų36.572%0.72420%0.198SC*.G310 helixtrans-67.1-18.6177.1-59.4-179.2173.100113.1F34 T80 T84F34-E82 VanDerWaalsContact CE1-O 3.27Å; F34-E82 WeakPolarHBondContact CE1-O 3.01Å; T80-E82 PolarHBondContact O-N 2.96Å; T80-E82 VanDerWaalsContact O-N 3.14Å; T80-E82 PolarHBondContact OG1-N 2.84Å; E82-T84 PolarHBondContact O-N 2.97Å
83D92.1Very high93.7Very high3 Ų340.1 Ų40.12%0.01621%0.212CC..G310 helixtrans-84.54.3175.7-57.7-50.7000112.3R32 R60 L79 T80 A81 A85 Y87R32-D83 IonicContact NH1-OD1 3.79Å; R32-D83 PolarHBondContact NH1-OD1 2.84Å; R60-D83 IonicContact CZ-OD1 3.1Å; R60-D83 IonicContact CZ-OD2 3.08Å; R60-D83 IonicContact NH1-OD1 2.66Å; R60-D83 IonicContact NH1-OD2 2.86Å; R60-D83 PolarHBondContact NH1-OD2 2.75Å; R60-D83 IonicContact NH2-OD1 3.91Å; R60-D83 PolarHBondContact NH2-OD1 3.09Å; R60-D83 VanDerWaalsContact NH2-OD1 3.08Å; R60-D83 IonicContact NH2-OD2 2.72Å; R60-D83 PolarHBondContact NH2-OD2 3.41Å; L79-D83 WeakPolarHBondContact CA-OD2 3.28Å; L79-D83 HydrophobicContact CD2-CB 3.65Å; T80-D83 PolarHBondContact N-OD2 2.78Å; T80-D83 WeakPolarHBondContact O-CB 3.41Å; T80-D83 PolarHBondContact O-N 3.34Å; T80-D83 PolarHBondContact OG1-OD2 2.78Å; A81-D83 PolarHBondContact O-N 2.9Å; D83-A85 PolarHBondContact O-N 2.83Å; D83-A85 VanDerWaalsContact O-N 3.12Å; D83-Y87 PolarHBondContact O-OH 2.92Å; D83-Y87 VanDerWaalsContact O-OH 3.06Å
84T95Very high92.4Very high37 Ų3745.3 Ų45.323%0.22723%0.232CC..  trans-67.7108.1171.9-64.30000110.4A81 E82 V107 T108 V109A81-T84 VanDerWaalsContact O-CB 3.26Å; A81-T84 WeakPolarHBondContact O-CB 3.5Å; A81-T84 PolarHBondContact O-N 2.83Å; A81-T84 VanDerWaalsContact O-N 3.14Å; A81-T84 PolarHBondContact O-OG1 2.83Å; E82-T84 PolarHBondContact O-N 2.97Å; T84-V107 WeakPolarHBondContact CA-O 3.43Å; T84-T108 HydrophobicContact CG2-CG2 4.27Å; T84-V109 PolarHBondContact OG1-N 2.59Å
85A96.1Very high90.9Very high4 Ų450.7 Ų50.73%0.03326%0.261CS..EExtended strand (participates in β ladder)trans-161.4167.6-17700000111.3R32 Q33 F34 D83 Y87 V107R32-A85 HydrophobicContact CB-CB 3.9Å; Q33-A85 CarbonylContact O-C 3.53Å; Q33-A85 WeakPolarHBondContact O-CA 3.46Å; Q33-A85 WeakPolarHBondContact O-CB 3.41Å; F34-A85 HydrophobicContact CD1-CB 4.06Å; F34-A85 HydrophobicContact CE1-CB 4.29Å; D83-A85 PolarHBondContact O-N 2.83Å; D83-A85 VanDerWaalsContact O-N 3.12Å; A85-Y87 HydrophobicContact CB-CD2 4.3Å; A85-Y87 HydrophobicContact CB-CE2 3.78Å; A85-Y87 WeakPolarHBondContact O-CD2 3.48Å; A85-V107 PolarHBondContact N-O 3.04Å; A85-V107 VanDerWaalsContact N-O 3.13Å; A85-V107 PolarHBondContact O-N 3.42Å
86T97.4Very high89.3Confident37 Ų3753.6 Ų53.623%0.22727%0.269CS..EExtended strand (participates in β ladder)trans-92.4121.1163.2-55.70000109.1R32 Q33 Y88R32-T86 CarbonylContact C-O 3.23Å; R32-T86 WeakPolarHBondContact CA-O 3.36Å; Q33-T86 PolarHBondContact N-O 3.06Å; Q33-T86 PolarHBondContact O-N 3.17Å; T86-Y88 HydrophobicContact CG2-CD2 4.3Å; T86-Y88 HydrophobicContact CG2-CE1 4.08Å; T86-Y88 HydrophobicContact CG2-CE2 3.56Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.45Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.48Å; T86-Y88 WeakPolarHBondContact O-CD2 3.37Å; T86-Y88 WeakPolarHBondContact O-CE2 3.09Å
87Y96.9Very high88Confident0 Ų057.1 Ų57.10%030%0.299CS..EExtended strand (participates in β ladder)trans-96.5123.7-178.1-71.9-99.8000110.2L12 I31 R32 L74 M76 D83 A85 G104 T105 V107L12-Y87 HydrophobicContact CD1-CD1 3.84Å; L12-Y87 HydrophobicContact CD1-CD2 4.08Å; L12-Y87 HydrophobicContact CD1-CG 3.49Å; L12-Y87 VanDerWaalsContact CD1-CG 3.49Å; I31-Y87 CarbonylContact O-C 3.57Å; I31-Y87 WeakPolarHBondContact O-CA 3.41Å; R32-Y87 HydrophobicContact CB-CD1 3.8Å; R32-Y87 HydrophobicContact CB-CE1 3.63Å; R32-Y87 HydrophobicContact CB-CE2 4.42Å; R32-Y87 HydrophobicContact CB-CG 4.29Å; R32-Y87 HydrophobicContact CG-CE1 4.37Å; L74-Y87 HydrophobicContact CD2-CD1 3.7Å; L74-Y87 HydrophobicContact CD2-CE1 4.06Å; M76-Y87 HydrophobicContact CE-CD1 4.14Å; M76-Y87 HydrophobicContact CE-CE1 3.42Å; M76-Y87 VanDerWaalsContact CE-CE1 3.42Å; M76-Y87 HydrophobicContact CE-CE2 3.95Å; M76-Y87 WeakPolarHBondContact CE-OH 3.41Å; M76-Y87 HydrophobicContact SD-CD1 4.38Å; M76-Y87 HydrophobicContact SD-CE1 3.37Å; M76-Y87 WeakPolarHBondContact SD-CE1 3.38Å; M76-Y87 VanDerWaalsContact SD-CZ 3.58Å; M76-Y87 PolarHBondContact SD-OH 3.2Å; D83-Y87 PolarHBondContact O-OH 2.92Å; D83-Y87 VanDerWaalsContact O-OH 3.06Å; A85-Y87 HydrophobicContact CB-CD2 4.3Å; A85-Y87 HydrophobicContact CB-CE2 3.78Å; A85-Y87 WeakPolarHBondContact O-CD2 3.48Å; Y87-G104 CarbonylContact O-C 3.57Å; Y87-G104 VanDerWaalsContact O-CA 3.29Å; Y87-G104 WeakPolarHBondContact O-CA 3.09Å; Y87-T105 PolarHBondContact N-O 3.13Å; Y87-T105 PolarHBondContact O-N 3.33Å; Y87-V107 HydrophobicContact CD2-CB 4Å; Y87-V107 HydrophobicContact CD2-CG2 3.66Å; Y87-V107 HydrophobicContact CE2-CB 3.87Å; Y87-V107 HydrophobicContact CE2-CG2 3.95Å
88Y97.1Very high87.1Confident48 Ų4857.4 Ų57.419%0.18830%0.3CS..EExtended strand (participates in β ladder)trans-112139.3178.4-60-89.3000109.5W30 I31 Q33 T86 W101 G102W30-Y88 WeakPolarHBondContact CA-O 3.2Å; I31-Y88 PolarHBondContact N-O 2.8Å; I31-Y88 PolarHBondContact O-N 2.78Å; Q33-Y88 HydrophobicContact CB-CD2 4.23Å; Q33-Y88 HydrophobicContact CB-CE2 3.62Å; Q33-Y88 PolarHBondContact OE1-OH 3.08Å; T86-Y88 HydrophobicContact CG2-CD2 4.3Å; T86-Y88 HydrophobicContact CG2-CE1 4.08Å; T86-Y88 HydrophobicContact CG2-CE2 3.56Å; T86-Y88 VanDerWaalsContact CG2-CZ 3.45Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.48Å; T86-Y88 WeakPolarHBondContact O-CD2 3.37Å; T86-Y88 WeakPolarHBondContact O-CE2 3.09Å; Y88-W101 HydrophobicContact CD1-CE3 4.29Å; Y88-W101 HydrophobicContact CD2-CZ3 4.4Å; Y88-W101 AromaticContact CG-CE3 3.95Å; Y88-W101 HydrophobicContact CG-CE3 3.95Å; Y88-W101 HydrophobicContact CG-CZ3 4.15Å; Y88-G102 WeakPolarHBondContact CD1-O 3.22Å
89C96Very high86.5Confident17 Ų1757 Ų5712%0.11529%0.292CS..EExtended strand (participates in β ladder)trans-93.6143.2160.561.70000109.5C14 S29 W30 F72 G102C14-C89 HydrophobicContact CB-CB 3.38Å; C14-C89 WeakPolarHBondContact CB-SG 3.34Å; C14-C89 WeakPolarHBondContact SG-CB 3.44Å; C14-C89 CovalentContact SG-SG 2.04Å; C14-C89 PolarHBondContact SG-SG 3.34Å; S29-C89 CarbonylContact O-C 3.55Å; S29-C89 WeakPolarHBondContact O-CA 3.36Å; W30-C89 HydrophobicContact CD2-CB 4.43Å; W30-C89 HydrophobicContact CE3-CB 4.14Å; W30-C89 HydrophobicContact CH2-CB 4.17Å; W30-C89 HydrophobicContact CZ2-CB 4.45Å; W30-C89 HydrophobicContact CZ3-CB 4.01Å; F72-C89 HydrophobicContact CE1-CB 4.46Å; F72-C89 HydrophobicContact CE2-CB 3.85Å; F72-C89 HydrophobicContact CZ-CB 3.52Å; C89-G102 PolarHBondContact O-N 3.41Å
90A95.1Very high86.3Confident3 Ų364 Ų643%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-144.5149.4-177.500000111.6S29 M98 Y100 W101S29-A90 PolarHBondContact N-O 3.06Å; S29-A90 PolarHBondContact O-N 3.33Å; A90-M98 HydrophobicContact CB-CE 3.4Å; A90-M98 HydrophobicContact CB-SD 4.16Å; A90-Y100 CarbonylContact C-O 3.57Å; A90-Y100 WeakPolarHBondContact CA-O 3.35Å; A90-Y100 WeakPolarHBondContact CB-O 3.42Å; A90-W101 HydrophobicContact CB-CD2 3.96Å; A90-W101 HydrophobicContact CB-CE3 4.24Å; A90-W101 HydrophobicContact CB-CG 4.26Å
91R93.3Very high86.4Confident32 Ų3266.4 Ų66.412%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-98.5141.6176.5-171178.176.8177.913.8109.9Y26 W28 M98 D99 Y100Y26-R91 HydrophobicContact CD1-CG 3.71Å; Y26-R91 HydrophobicContact CE1-CG 4.24Å; Y26-R91 HydrophobicContact CG-CG 4.29Å; W28-R91 HydrophobicContact CE3-CB 4.08Å; W28-R91 HydrophobicContact CE3-CG 4.06Å; W28-R91 HydrophobicContact CH2-CB 4.42Å; W28-R91 VanDerWaalsContact CH2-CD 3.48Å; W28-R91 HydrophobicContact CH2-CG 3.81Å; W28-R91 HydrophobicContact CZ2-CG 4.47Å; W28-R91 HydrophobicContact CZ3-CB 3.7Å; W28-R91 HydrophobicContact CZ3-CG 3.57Å; R91-M98 VanDerWaalsContact O-CA 3.25Å; R91-M98 WeakPolarHBondContact O-CA 3.28Å; R91-D99 IonicContact CZ-OD1 3.04Å; R91-D99 IonicContact CZ-OD2 3.44Å; R91-D99 IonicContact NE-OD1 3.42Å; R91-D99 PolarHBondContact NE-OD1 3.37Å; R91-D99 IonicContact NE-OD2 3.7Å; R91-D99 PolarHBondContact NE-OD2 3.29Å; R91-D99 IonicContact NH2-OD1 3.73Å; R91-D99 IonicContact NH2-OD2 3.77Å; R91-D99 PolarHBondContact NH2-OD2 2.73Å; R91-D99 PolarHBondContact O-N 3.46Å; R91-Y100 PolarHBondContact N-O 3.49Å
92Y88.5Confident86.5Confident67 Ų6764.2 Ų64.226%0.26331%0.307SS..EExtended strand (participates in β ladder)trans-135.7141.9170.2172.9-83000110.3Y26 R27 Y96 M98Y26-Y92 CarbonylContact C-O 3.55Å; Y26-Y92 WeakPolarHBondContact CA-O 3.46Å; R27-Y92 HydrophobicContact CB-CD1 4.25Å; R27-Y92 HydrophobicContact CG-CD1 4.26Å; R27-Y92 PolarHBondContact N-O 3.21Å; R27-Y92 PolarHBondContact O-N 3.4Å; Y92-Y96 VanDerWaalsContact CE2-O 3.26Å; Y92-Y96 WeakPolarHBondContact CE2-O 3.32Å; Y92-M98 HydrophobicContact CD2-CG 4.28Å
93R83.9Confident86.6Confident77 Ų7766 Ų6629%0.29132%0.315SS..EExtended strand (participates in β ladder)trans-131.9141.3172.5-175174.7168.4175.11.2108.6N25 Y26 D95 Y96N25-R93 HydrophobicContact CB-CG 4.24Å; N25-R93 WeakPolarHBondContact O-CA 3.34Å; Y26-R93 HydrophobicContact CD1-CB 3.78Å; Y26-R93 HydrophobicContact CD1-CG 4.22Å; Y26-R93 HydrophobicContact CE1-CB 3.76Å; Y26-R93 HydrophobicContact CE1-CG 4.04Å; R93-D95 IonicContact NE-OD2 3.4Å; R93-D95 PolarHBondContact O-N 3.42Å; R93-Y96 HydrophobicContact CB-CD2 4.29Å; R93-Y96 HydrophobicContact CG-CD2 4.37Å; R93-Y96 CarbonylContact O-C 3.43Å; R93-Y96 PolarHBondContact O-N 2.79Å
94Y70.2Confident86.8Confident142 Ų14266.9 Ų66.956%0.55733%0.325SS*.THydrogen-bonded Turntrans-45.9-35.2-175.9-96.8-85000115.5R27R27-Y94 PolarHBondContact NH2-OH 2.82Å
95D66.2Low86.9Confident114 Ų11467 Ų6761%0.6133%0.326SS*.THydrogen-bonded Turntrans-88.6-2.8-177.3-45.4-50.6000113.9R93R93-D95 IonicContact NE-OD2 3.4Å; R93-D95 PolarHBondContact O-N 3.42Å
96Y62Low86.8Confident137 Ų13769.8 Ų69.854%0.53734%0.344SS..EExtended strand (participates in β ladder)trans-137.6150.8-173.1-62.1-84.5000112Y92 R93Y92-Y96 VanDerWaalsContact CE2-O 3.26Å; Y92-Y96 WeakPolarHBondContact CE2-O 3.32Å; R93-Y96 HydrophobicContact CB-CD2 4.29Å; R93-Y96 HydrophobicContact CG-CD2 4.37Å; R93-Y96 CarbonylContact O-C 3.43Å; R93-Y96 PolarHBondContact O-N 2.79Å
97A67.7Low86.7Confident80 Ų8068 Ų6866%0.66133%0.334SS*.EExtended strand (participates in β ladder)trans-63.2177165.300000110.9D99A97-D99 VanDerWaalsContact C-N 3.32Å; A97-D99 PolarHBondContact O-N 2.95Å
98M73.9Confident86.6Confident54 Ų5470.6 Ų70.627%0.26635%0.35SS..EExtended strand (participates in β ladder)trans-61.794.6171-76-176125.600110.4S29 I31 A90 R91 Y92 W101S29-M98 VanDerWaalsContact CB-CE 3.42Å; I31-M98 HydrophobicContact CD1-CE 3.37Å; I31-M98 HydrophobicContact CD1-SD 3.4Å; I31-M98 WeakPolarHBondContact CD1-SD 3.26Å; I31-M98 HydrophobicContact CG1-CE 4.23Å; A90-M98 HydrophobicContact CB-CE 3.4Å; A90-M98 HydrophobicContact CB-SD 4.16Å; R91-M98 VanDerWaalsContact O-CA 3.25Å; R91-M98 WeakPolarHBondContact O-CA 3.28Å; Y92-M98 HydrophobicContact CD2-CG 4.28Å; M98-W101 HydrophobicContact CB-CZ2 4.34Å; M98-W101 PolarHBondContact O-NE1 3.12Å; M98-W101 HydrophobicContact SD-CH2 4.38Å; M98-W101 HydrophobicContact SD-CZ2 3.73Å
99D78.6Confident86.3Confident61 Ų6168.8 Ų68.833%0.32634%0.343SS..EExtended strand (participates in β ladder)trans-89.4-21.2-164.258.2-15.5000112.7R91 A97R91-D99 IonicContact CZ-OD1 3.04Å; R91-D99 IonicContact CZ-OD2 3.44Å; R91-D99 IonicContact NE-OD1 3.42Å; R91-D99 PolarHBondContact NE-OD1 3.37Å; R91-D99 IonicContact NE-OD2 3.7Å; R91-D99 PolarHBondContact NE-OD2 3.29Å; R91-D99 IonicContact NH2-OD1 3.73Å; R91-D99 IonicContact NH2-OD2 3.77Å; R91-D99 PolarHBondContact NH2-OD2 2.73Å; R91-D99 PolarHBondContact O-N 3.46Å; A97-D99 VanDerWaalsContact C-N 3.32Å; A97-D99 PolarHBondContact O-N 2.95Å
100Y87.9Confident85.9Confident146 Ų14670 Ų7057%0.57335%0.352SS*.EExtended strand (participates in β ladder)trans-132.3135.3176.2-71.3-94.5000111.7A90 R91A90-Y100 CarbonylContact C-O 3.57Å; A90-Y100 WeakPolarHBondContact CA-O 3.35Å; A90-Y100 WeakPolarHBondContact CB-O 3.42Å; R91-Y100 PolarHBondContact N-O 3.49Å
101W93.8Very high84.6Confident107 Ų10777.6 Ų77.641%0.40541%0.405SS..EExtended strand (participates in β ladder)trans-124.4138.5174.6-69.870.2000109.3I31 L39 Y88 A90 M98I31-W101 HydrophobicContact CB-CH2 4.28Å; I31-W101 HydrophobicContact CB-CZ3 4.07Å; I31-W101 HydrophobicContact CD1-CH2 3.28Å; I31-W101 HydrophobicContact CD1-CZ2 3.88Å; I31-W101 HydrophobicContact CD1-CZ3 3.85Å; I31-W101 HydrophobicContact CG1-CH2 4.33Å; I31-W101 HydrophobicContact CG2-CH2 4.08Å; I31-W101 HydrophobicContact CG2-CZ3 4.05Å; L39-W101 HydrophobicContact CD1-CH2 4.43Å; Y88-W101 HydrophobicContact CD1-CE3 4.29Å; Y88-W101 HydrophobicContact CD2-CZ3 4.4Å; Y88-W101 AromaticContact CG-CE3 3.95Å; Y88-W101 HydrophobicContact CG-CE3 3.95Å; Y88-W101 HydrophobicContact CG-CZ3 4.15Å; A90-W101 HydrophobicContact CB-CD2 3.96Å; A90-W101 HydrophobicContact CB-CE3 4.24Å; A90-W101 HydrophobicContact CB-CG 4.26Å; M98-W101 HydrophobicContact CB-CZ2 4.34Å; M98-W101 PolarHBondContact O-NE1 3.12Å; M98-W101 HydrophobicContact SD-CH2 4.38Å; M98-W101 HydrophobicContact SD-CZ2 3.73Å
102G94Very high84.2Confident27 Ų2779.9 Ų79.928%0.27842%0.42SS..  trans-68.7168.3168.300000111.3Y88 C89 G104Y88-G102 WeakPolarHBondContact CD1-O 3.22Å; C89-G102 PolarHBondContact O-N 3.41Å; G102-G104 PolarHBondContact O-N 3.4Å
103Q94.1Very high83.9Confident194 Ų19480.6 Ų80.691%0.90743%0.428SS*.  trans-63.5-9.9179.9-67.2-62.6-45.300114.2
104G94.9Very high83.9Confident20 Ų2080.8 Ų80.821%0.20644%0.435CS..  trans81163.4-175.300000111.9Y87 G102Y87-G104 CarbonylContact O-C 3.57Å; Y87-G104 VanDerWaalsContact O-CA 3.29Å; Y87-G104 WeakPolarHBondContact O-CA 3.09Å; G102-G104 PolarHBondContact O-N 3.4Å
105T96.4Very high84.7Confident41 Ų4177.2 Ų77.225%0.25243%0.428SS..EExtended strand (participates in β ladder)trans-149.8110-173-67.70000109P1 L12 Y87P1-T105 HydrophobicContact CB-CG2 4.25Å; P1-T105 HydrophobicContact CG-CG2 3.13Å; L12-T105 HydrophobicContact CD2-CG2 4.07Å; Y87-T105 PolarHBondContact N-O 3.13Å; Y87-T105 PolarHBondContact O-N 3.33Å
106S95.8Very high85.9Confident61 Ų6174.9 Ų74.943%0.42742%0.417SS..EExtended strand (participates in β ladder)trans-74.5134.1-178-164.20000111.1P1P1-S106 CarbonylContact C-O 3.6Å; P1-S106 VanDerWaalsContact C-O 3.23Å
107V95.2Very high87.5Confident0 Ų070.7 Ų70.70%041%0.409CS..EExtended strand (participates in β ladder)trans-126.3124172.5179.50000106.7P1 V4 L12 T84 A85 Y87 V109P1-V107 HydrophobicContact CB-CG2 4.12Å; P1-V107 HydrophobicContact CG-CG2 4.45Å; V4-V107 HydrophobicContact CG2-CG1 3.59Å; L12-V107 HydrophobicContact CD1-CG2 4.37Å; L12-V107 HydrophobicContact CD2-CG2 4.11Å; T84-V107 WeakPolarHBondContact CA-O 3.43Å; A85-V107 PolarHBondContact N-O 3.04Å; A85-V107 VanDerWaalsContact N-O 3.13Å; A85-V107 PolarHBondContact O-N 3.42Å; Y87-V107 HydrophobicContact CD2-CB 4Å; Y87-V107 HydrophobicContact CD2-CG2 3.66Å; Y87-V107 HydrophobicContact CE2-CB 3.87Å; Y87-V107 HydrophobicContact CE2-CG2 3.95Å; V107-V109 HydrophobicContact CG1-CG2 4.4Å
108T94.5Very high88.9Confident55 Ų5570.1 Ų70.134%0.33739%0.391SS..EExtended strand (participates in β ladder)trans-121.8119.3178.4-54.10000109.1G2 L3 V4 T84G2-T108 PolarHBondContact O-N 3.06Å; G2-T108 VanDerWaalsContact O-N 3.16Å; L3-T108 CarbonylContact C-O 3.4Å; L3-T108 WeakPolarHBondContact CA-O 3.44Å; L3-T108 HydrophobicContact CD1-CG2 3.91Å; V4-T108 WeakPolarHBondContact CG2-O 3.22Å; V4-T108 PolarHBondContact N-O 2.97Å; T84-T108 HydrophobicContact CG2-CG2 4.27Å
109V91.4Very high90Very high9 Ų971.3 Ų71.36%0.05540%0.4CS..EExtended strand (participates in β ladder)trans-102.1108.8179.4-1730000108.4V4 P6 L79 T80 T84 V107V4-V109 HydrophobicContact CG2-CG2 4.14Å; V4-V109 WeakPolarHBondContact O-CA 3.09Å; P6-V109 HydrophobicContact CG-CG1 4.27Å; L79-V109 HydrophobicContact CB-CG1 4.35Å; L79-V109 HydrophobicContact CB-CG2 4.03Å; L79-V109 HydrophobicContact CD1-CG2 4.3Å; T80-V109 WeakPolarHBondContact O-CB 3.36Å; T80-V109 WeakPolarHBondContact O-CG2 3.27Å; T84-V109 PolarHBondContact OG1-N 2.59Å; V107-V109 HydrophobicContact CG1-CG2 4.4Å
110S85.7Confident91Very high42 Ų4272.2 Ų72.229%0.29441%0.407SS..  trans-123.9140.7-178.868.10000111.3L3 V4 P6L3-S110 WeakPolarHBondContact CD1-OG 3.38Å; L3-S110 WeakPolarHBondContact CG-OG 3.39Å; V4-S110 PolarHBondContact O-N 3.2Å; V4-S110 VanDerWaalsContact O-N 3.11Å; P6-S110 WeakPolarHBondContact CD-O 3.18Å
111S68.4Low91.3Very high164 Ų16465.5 Ų65.5100%1.14739%0.392SS*.  trans-66.30170.458.30000112.5

Retrieved 111 of 111 residues in 23.1 ms (Link to these results)

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