A0A077YVI5_TRITR Loading...

Histidine triad nucleotide binding protein 1

AlphaFold DB , UniProt , Accession A0A077YVI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M75.1Confident90.4Very high185 Ų18583.9 Ų83.991%0.91144%0.438SS*.  01380-81.1-175.1-78.500108.4K6M1-K6 HydrophobicContact CB-CG 4.33Å
2S88.1Confident90.2Very high67 Ų6783.9 Ų83.947%0.46945%0.447SS..  trans-66.5160.1172.457.10000111E4 S5 K6S2-E4 PolarHBondContact O-N 2.82Å; S2-S5 PolarHBondContact O-N 3.39Å; S2-S5 VanDerWaalsContact O-N 3.14Å; S2-S5 WeakPolarHBondContact OG-CB 3.31Å; S2-S5 PolarHBondContact OG-N 3.28Å; S2-S5 VanDerWaalsContact OG-N 3.16Å; S2-K6 WeakPolarHBondContact O-CG 3.48Å; S2-K6 PolarHBondContact O-N 2.85Å
3E88.8Confident89.3Confident52 Ų5282.7 Ų82.724%0.24345%0.449CS..Hα-helixtrans-58.3-38.3171.9-68.2-54.7115.100111.5S5 K6 A7 S106E3-S5 VanDerWaalsContact C-N 3.34Å; E3-S5 PolarHBondContact O-N 2.87Å; E3-K6 PolarHBondContact O-N 2.78Å; E3-K6 WeakPolarHBondContact OE1-CD 3.45Å; E3-K6 WeakPolarHBondContact OE1-CE 3.36Å; E3-K6 IonicContact OE1-NZ 3.11Å; E3-K6 PolarHBondContact OE1-NZ 3.22Å; E3-A7 WeakPolarHBondContact O-CB 3.48Å; E3-A7 PolarHBondContact O-N 3.23Å; E3-S106 WeakPolarHBondContact OE2-CB 2.93Å; E3-S106 PolarHBondContact OE2-OG 3.3Å
4E91.9Very high88.5Confident124 Ų12482.6 Ų82.658%0.57948%0.478SS*.Hα-helixtrans-55.9-47.1173.2-175.6-176.4-170.700112.1S2 A7 Q8S2-E4 PolarHBondContact O-N 2.82Å; E4-A7 PolarHBondContact O-N 2.96Å; E4-Q8 WeakPolarHBondContact O-CG 3.4Å; E4-Q8 PolarHBondContact O-N 2.66Å; E4-Q8 PolarHBondContact O-NE2 3.36Å
5S93.4Very high88.7Confident47 Ų4781.1 Ų81.133%0.32947%0.467SS..Hα-helixtrans-65.7-39.5178.3170.70000112.1S2 E3 Q8S2-S5 PolarHBondContact O-N 3.39Å; S2-S5 VanDerWaalsContact O-N 3.14Å; S2-S5 WeakPolarHBondContact OG-CB 3.31Å; S2-S5 PolarHBondContact OG-N 3.28Å; S2-S5 VanDerWaalsContact OG-N 3.16Å; E3-S5 VanDerWaalsContact C-N 3.34Å; E3-S5 PolarHBondContact O-N 2.87Å; S5-Q8 PolarHBondContact O-N 2.72Å
6K93Very high89.1Confident58 Ų5876.7 Ų76.725%0.25244%0.442SS..Hα-helixtrans-63.1-42.8175-66.7175.7-172.1170.30111M1 S2 E3 Q8 T9 A10M1-K6 HydrophobicContact CB-CG 4.33Å; S2-K6 WeakPolarHBondContact O-CG 3.48Å; S2-K6 PolarHBondContact O-N 2.85Å; E3-K6 PolarHBondContact O-N 2.78Å; E3-K6 WeakPolarHBondContact OE1-CD 3.45Å; E3-K6 WeakPolarHBondContact OE1-CE 3.36Å; E3-K6 IonicContact OE1-NZ 3.11Å; E3-K6 PolarHBondContact OE1-NZ 3.22Å; K6-Q8 PolarHBondContact O-N 3.45Å; K6-T9 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-OG1 3.26Å; K6-A10 WeakPolarHBondContact O-CB 3.45Å; K6-A10 PolarHBondContact O-N 3Å
7A94.1Very high89.4Confident5 Ų577.1 Ų77.14%0.04144%0.441CS..Hα-helixtrans-64-24.6-178.200000113.9E3 E4 T9 C104 Q105E3-A7 WeakPolarHBondContact O-CB 3.48Å; E3-A7 PolarHBondContact O-N 3.23Å; E4-A7 PolarHBondContact O-N 2.96Å; A7-T9 VanDerWaalsContact C-N 3.3Å; A7-T9 PolarHBondContact O-N 3.38Å; A7-C104 HydrophobicContact CB-CB 4.5Å; A7-Q105 WeakPolarHBondContact CA-O 3.44Å; A7-Q105 WeakPolarHBondContact CB-O 3.39Å
8Q94.3Very high89.7Confident86 Ų8673.2 Ų73.240%0.40242%0.419SS..Hα-helixtrans-69.2-29.2177.1-60.1-46-52.200113.1E4 S5 K6E4-Q8 WeakPolarHBondContact O-CG 3.4Å; E4-Q8 PolarHBondContact O-N 2.66Å; E4-Q8 PolarHBondContact O-NE2 3.36Å; S5-Q8 PolarHBondContact O-N 2.72Å; K6-Q8 PolarHBondContact O-N 3.45Å
9T93.4Very high90.1Very high106 Ų10670 Ų7065%0.6540%0.401SS*.Hα-helixtrans-113.5-10.1-175.161.10000113.5K6 A7K6-T9 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-OG1 3.26Å; A7-T9 VanDerWaalsContact C-N 3.3Å; A7-T9 PolarHBondContact O-N 3.38Å
10A92.2Very high90.4Very high27 Ų2770.2 Ų70.222%0.22340%0.397CS..  trans-59.5141.2175.200000111.4K6 S106 F108K6-A10 WeakPolarHBondContact O-CB 3.45Å; K6-A10 PolarHBondContact O-N 3Å; A10-S106 WeakPolarHBondContact CB-O 3.43Å; A10-F108 VanDerWaalsContact C-CE2 3.46Å; A10-F108 HydrophobicContact CB-CD2 4.04Å; A10-F108 HydrophobicContact CB-CE2 3.64Å
11K89.6Confident90.7Very high166 Ų16667.6 Ų67.672%0.72238%0.382SS*.  trans-137.7152.3178.6-65.1-178.1-177.8-179.40109.8S13 F108K11-S13 PolarHBondContact O-N 3.02Å; K11-F108 WeakPolarHBondContact O-CD2 3.42Å
12P88.2Confident91.7Very high84 Ų8460 Ų6055%0.54535%0.345SS..  trans-53.1132.1167.2-19.928.5000110.7F108P12-F108 HydrophobicContact CB-CB 4.49Å; P12-F108 HydrophobicContact CB-CD1 3.97Å; P12-F108 HydrophobicContact CB-CG 4.36Å; P12-F108 HydrophobicContact CG-CD1 3.49Å; P12-F108 VanDerWaalsContact CG-CD1 3.49Å; P12-F108 HydrophobicContact CG-CE1 3.58Å; P12-F108 HydrophobicContact CG-CG 4.21Å; P12-F108 HydrophobicContact CG-CZ 4.4Å
13S78.8Confident92.1Very high68 Ų6862.3 Ų62.348%0.47634%0.343SS..  trans-133.2131.7173167.60000106.8K11 D15K11-S13 PolarHBondContact O-N 3.02Å; S13-D15 PolarHBondContact O-N 3.36Å; S13-D15 VanDerWaalsContact O-N 3.14Å; S13-D15 PolarHBondContact OG-N 3.37Å; S13-D15 PolarHBondContact OG-O 2.89Å
14G78.6Confident92.5Very high82 Ų8267.4 Ų67.485%0.84536%0.36SS*.SBendtrans-60.7-20.8175.300000113.2
15D91.2Very high92.7Very high60 Ų6066.8 Ų66.832%0.32136%0.358SS..SBendtrans-126.492.6175.4-166.340.1000110.9S13 S19 K20 R23S13-D15 PolarHBondContact O-N 3.36Å; S13-D15 VanDerWaalsContact O-N 3.14Å; S13-D15 PolarHBondContact OG-N 3.37Å; S13-D15 PolarHBondContact OG-O 2.89Å; D15-S19 VanDerWaalsContact OD1-CB 3.31Å; D15-S19 WeakPolarHBondContact OD1-CB 3.42Å; D15-K20 WeakPolarHBondContact OD2-CE 3.46Å; D15-R23 VanDerWaalsContact CG-NH2 3.33Å; D15-R23 IonicContact OD1-CZ 2.81Å; D15-R23 VanDerWaalsContact OD1-CZ 3.22Å; D15-R23 IonicContact OD1-NH1 2.62Å; D15-R23 PolarHBondContact OD1-NH1 2.95Å; D15-R23 IonicContact OD1-NH2 2.69Å; D15-R23 PolarHBondContact OD1-NH2 3.28Å; D15-R23 IonicContact OD2-NH2 2.7Å; D15-R23 PolarHBondContact OD2-NH2 2.69Å; D15-R23 VanDerWaalsContact OD2-NH2 3.11Å
16S94.2Very high92.8Very high10 Ų1067.4 Ų67.47%0.0736%0.356CS..  trans-77.6163.2177.974.60000111.8F18 S19 K20 H109S16-F18 PolarHBondContact O-N 3.42Å; S16-F18 PolarHBondContact OG-N 3.29Å; S16-S19 PolarHBondContact N-OG 3.33Å; S16-S19 WeakPolarHBondContact O-CB 3.46Å; S16-S19 PolarHBondContact O-N 3.07Å; S16-S19 VanDerWaalsContact O-N 3.09Å; S16-S19 PolarHBondContact OG-N 3.02Å; S16-S19 PolarHBondContact OG-OG 3.46Å; S16-K20 PolarHBondContact O-N 2.9Å; S16-H109 PolarHBondContact OG-ND1 3.18Å
17I94.6Very high93Very high83 Ų8370.5 Ų70.543%0.42638%0.383SS..Hα-helixtrans-59.1-31.7171-168.5169.9000112.2K20 I21 I26 I107I17-K20 WeakPolarHBondContact O-CB 3.5Å; I17-K20 PolarHBondContact O-N 3.24Å; I17-I21 HydrophobicContact CG1-CD1 4.49Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 3.43Å; I17-I26 HydrophobicContact CG1-CD1 4Å; I17-I107 HydrophobicContact CG2-CD1 3.46Å; I17-I107 VanDerWaalsContact CG2-CD1 3.46Å; I17-I107 HydrophobicContact CG2-CG1 4.1Å; I17-I107 HydrophobicContact CG2-CG2 4.23Å
18F96Very high93.2Very high8 Ų872 Ų724%0.03540%0.395CS..Hα-helixtrans-68.3-37.7175.2-61.5-19.1000111.8S16 K20 I21 I22 F40 L52 V54 I107 H109 H111S16-F18 PolarHBondContact O-N 3.42Å; S16-F18 PolarHBondContact OG-N 3.29Å; F18-K20 VanDerWaalsContact C-N 3.27Å; F18-K20 PolarHBondContact O-N 2.88Å; F18-I21 HydrophobicContact CD1-CD1 4.29Å; F18-I21 PolarHBondContact O-N 2.85Å; F18-I21 VanDerWaalsContact O-N 3.17Å; F18-I22 WeakPolarHBondContact O-CB 3.5Å; F18-I22 WeakPolarHBondContact O-CD1 3.4Å; F18-I22 VanDerWaalsContact O-CG1 3.25Å; F18-I22 WeakPolarHBondContact O-CG1 3.42Å; F18-I22 PolarHBondContact O-N 3.45Å; F18-F40 HydrophobicContact CD1-CE2 4.38Å; F18-F40 AromaticContact CD1-CZ 3.71Å; F18-F40 HydrophobicContact CD1-CZ 3.71Å; F18-F40 HydrophobicContact CE1-CE2 4.3Å; F18-F40 AromaticContact CE1-CZ 3.9Å; F18-F40 HydrophobicContact CE1-CZ 3.9Å; F18-F40 HydrophobicContact CG-CZ 4.32Å; F18-L52 HydrophobicContact CE1-CD1 3.8Å; F18-L52 HydrophobicContact CE2-CD1 4.44Å; F18-L52 HydrophobicContact CZ-CD1 3.54Å; F18-V54 HydrophobicContact CD2-CG1 4.01Å; F18-V54 HydrophobicContact CE2-CG1 4.31Å; F18-V54 HydrophobicContact CG-CG1 4.47Å; F18-I107 HydrophobicContact CD1-CD1 4.14Å; F18-I107 HydrophobicContact CD2-CB 4.47Å; F18-I107 HydrophobicContact CD2-CG2 3.71Å; F18-I107 HydrophobicContact CE1-CD1 3.36Å; F18-I107 HydrophobicContact CE1-CG2 4.48Å; F18-I107 HydrophobicContact CE2-CB 3.88Å; F18-I107 HydrophobicContact CE2-CD1 4.02Å; F18-I107 HydrophobicContact CE2-CG2 3.63Å; F18-I107 HydrophobicContact CG-CG2 4.14Å; F18-I107 HydrophobicContact CZ-CB 4.02Å; F18-I107 HydrophobicContact CZ-CD1 3.27Å; F18-I107 HydrophobicContact CZ-CG1 4.22Å; F18-I107 HydrophobicContact CZ-CG2 4.05Å; F18-H109 HydrophobicContact CB-CB 4.38Å; F18-H109 HydrophobicContact CD2-CB 3.81Å; F18-H111 HydrophobicContact CD2-CB 4.48Å; F18-H111 HydrophobicContact CE2-CB 3.79Å; F18-H111 AromaticContact CE2-CG 3.62Å; F18-H111 AromaticContact CE2-ND1 3.56Å
19S95.6Very high93.3Very high12 Ų1272.9 Ų72.98%0.08440%0.403CS..Hα-helixtrans-58.8-41.3172.8-50.30000111.1D15 S16 I22 R23D15-S19 VanDerWaalsContact OD1-CB 3.31Å; D15-S19 WeakPolarHBondContact OD1-CB 3.42Å; S16-S19 PolarHBondContact N-OG 3.33Å; S16-S19 WeakPolarHBondContact O-CB 3.46Å; S16-S19 PolarHBondContact O-N 3.07Å; S16-S19 VanDerWaalsContact O-N 3.09Å; S16-S19 PolarHBondContact OG-N 3.02Å; S16-S19 PolarHBondContact OG-OG 3.46Å; S19-I22 PolarHBondContact O-N 3.23Å; S19-R23 WeakPolarHBondContact O-CG 3.29Å; S19-R23 PolarHBondContact O-N 3.45Å
20K96.4Very high93.5Very high74 Ų7470.8 Ų70.832%0.32239%0.387SS..Hα-helixtrans-66.6-39.1175.1-60.9-171.4176.8-167.40113.1D15 S16 I17 F18 R23 R24 E25 I26D15-K20 WeakPolarHBondContact OD2-CE 3.46Å; S16-K20 PolarHBondContact O-N 2.9Å; I17-K20 WeakPolarHBondContact O-CB 3.5Å; I17-K20 PolarHBondContact O-N 3.24Å; F18-K20 VanDerWaalsContact C-N 3.27Å; F18-K20 PolarHBondContact O-N 2.88Å; K20-R23 CarbonylContact O-C 3.56Å; K20-R23 PolarHBondContact O-N 3.27Å; K20-R24 PolarHBondContact O-N 3.15Å; K20-R24 VanDerWaalsContact O-N 3.11Å; K20-E25 HydrophobicContact CB-CB 4.21Å; K20-E25 WeakPolarHBondContact CG-OE2 3.39Å; K20-E25 PolarHBondContact O-N 3.49Å; K20-I26 HydrophobicContact CB-CD1 3.74Å; K20-I26 HydrophobicContact CB-CG1 4.03Å; K20-I26 HydrophobicContact CD-CD1 3.79Å; K20-I26 HydrophobicContact CG-CD1 4.4Å
21I97Very high93.8Very high16 Ų1670.2 Ų70.28%0.08238%0.38CS..Hα-helixtrans-63.7-46.8174.1-72.4169.6000110.7I17 F18 R23 R24 I26 A28 F38 F40I17-I21 HydrophobicContact CG1-CD1 4.49Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 3.43Å; F18-I21 HydrophobicContact CD1-CD1 4.29Å; F18-I21 PolarHBondContact O-N 2.85Å; F18-I21 VanDerWaalsContact O-N 3.17Å; I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 3.39Å; I21-R24 WeakPolarHBondContact O-CA 3.39Å; I21-R24 PolarHBondContact O-N 3Å; I21-I26 HydrophobicContact CG1-CB 4.29Å; I21-I26 HydrophobicContact CG1-CG2 4.47Å; I21-A28 HydrophobicContact CD1-CB 4.38Å; I21-A28 HydrophobicContact CG1-CB 4.34Å; I21-A28 HydrophobicContact CG2-CB 3.52Å; I21-F38 HydrophobicContact CG2-CD1 4.41Å; I21-F38 HydrophobicContact CG2-CE1 3.79Å; I21-F40 HydrophobicContact CD1-CD2 4.44Å; I21-F40 HydrophobicContact CD1-CE2 3.81Å; I21-F40 HydrophobicContact CD1-CZ 4.09Å; I21-F40 HydrophobicContact CG2-CD1 4.25Å; I21-F40 HydrophobicContact CG2-CE1 4.22Å; I21-F40 HydrophobicContact CG2-CG 4.4Å; I21-F40 HydrophobicContact CG2-CZ 4.37Å
22I96.6Very high94.3Very high26 Ų2666.3 Ų66.313%0.13336%0.361CS..Hα-helixtrans-58.4-41.3177.5-70.1158.6000110.6F18 S19 R24 F38 V54 K56F18-I22 WeakPolarHBondContact O-CB 3.5Å; F18-I22 WeakPolarHBondContact O-CD1 3.4Å; F18-I22 VanDerWaalsContact O-CG1 3.25Å; F18-I22 WeakPolarHBondContact O-CG1 3.42Å; F18-I22 PolarHBondContact O-N 3.45Å; S19-I22 PolarHBondContact O-N 3.23Å; I22-R24 PolarHBondContact O-N 3.34Å; I22-F38 HydrophobicContact CG1-CB 4.2Å; I22-F38 HydrophobicContact CG1-CD1 4.34Å; I22-F38 HydrophobicContact CG1-CG 4.21Å; I22-V54 HydrophobicContact CD1-CG2 4.02Å; I22-V54 HydrophobicContact CG1-CG2 4.35Å; I22-K56 HydrophobicContact CG2-CD 4.45Å; I22-K56 HydrophobicContact CG2-CG 4Å
23R96.5Very high94.8Very high114 Ų11465.7 Ų65.743%0.4335%0.351SS..THydrogen-bonded Turntrans-78.71.9175.5-65.5-169.3-51.8-91.8-3114.4D15 S19 K20 I21 E25D15-R23 VanDerWaalsContact CG-NH2 3.33Å; D15-R23 IonicContact OD1-CZ 2.81Å; D15-R23 VanDerWaalsContact OD1-CZ 3.22Å; D15-R23 IonicContact OD1-NH1 2.62Å; D15-R23 PolarHBondContact OD1-NH1 2.95Å; D15-R23 IonicContact OD1-NH2 2.69Å; D15-R23 PolarHBondContact OD1-NH2 3.28Å; D15-R23 IonicContact OD2-NH2 2.7Å; D15-R23 PolarHBondContact OD2-NH2 2.69Å; D15-R23 VanDerWaalsContact OD2-NH2 3.11Å; S19-R23 WeakPolarHBondContact O-CG 3.29Å; S19-R23 PolarHBondContact O-N 3.45Å; K20-R23 CarbonylContact O-C 3.56Å; K20-R23 PolarHBondContact O-N 3.27Å; I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 3.39Å; R23-E25 HydrophobicContact CB-CG 4.16Å; R23-E25 IonicContact CZ-OE1 3.99Å; R23-E25 IonicContact CZ-OE2 3.79Å; R23-E25 IonicContact NE-OE1 3.22Å; R23-E25 PolarHBondContact NE-OE1 2.86Å; R23-E25 IonicContact NE-OE2 3.17Å; R23-E25 IonicContact NH2-OE1 3.98Å; R23-E25 PolarHBondContact NH2-OE1 3.12Å; R23-E25 VanDerWaalsContact NH2-OE1 3.15Å; R23-E25 IonicContact NH2-OE2 2.76Å; R23-E25 PolarHBondContact NH2-OE2 3.44Å; R23-E25 PolarHBondContact O-N 3.02Å
24R96.3Very high95.7Very high159 Ų15963.7 Ų63.760%0.634%0.335SS*.THydrogen-bonded Turntrans60.324.9-179.4-53.9178.1175.1-103.4-1.3114.2K20 I21 I22 I26 E33K20-R24 PolarHBondContact O-N 3.15Å; K20-R24 VanDerWaalsContact O-N 3.11Å; I21-R24 WeakPolarHBondContact O-CA 3.39Å; I21-R24 PolarHBondContact O-N 3Å; I22-R24 PolarHBondContact O-N 3.34Å; R24-I26 VanDerWaalsContact C-N 3.32Å; R24-E33 IonicContact CZ-OE2 3.95Å; R24-E33 IonicContact NH2-OE2 3.69Å; R24-E33 PolarHBondContact NH2-OE2 2.95Å
25E97.5Very high96.6Very high112 Ų11267 Ų6752%0.52333%0.333SS..SBendtrans-76.5-25173.3-66.3171-166.300111.8K20 R23K20-E25 HydrophobicContact CB-CB 4.21Å; K20-E25 WeakPolarHBondContact CG-OE2 3.39Å; K20-E25 PolarHBondContact O-N 3.49Å; R23-E25 HydrophobicContact CB-CG 4.16Å; R23-E25 IonicContact CZ-OE1 3.99Å; R23-E25 IonicContact CZ-OE2 3.79Å; R23-E25 IonicContact NE-OE1 3.22Å; R23-E25 PolarHBondContact NE-OE1 2.86Å; R23-E25 IonicContact NE-OE2 3.17Å; R23-E25 IonicContact NH2-OE1 3.98Å; R23-E25 PolarHBondContact NH2-OE1 3.12Å; R23-E25 VanDerWaalsContact NH2-OE1 3.15Å; R23-E25 IonicContact NH2-OE2 2.76Å; R23-E25 PolarHBondContact NH2-OE2 3.44Å; R23-E25 PolarHBondContact O-N 3.02Å
26I95.4Very high96.9Very high59 Ų5966.7 Ų66.730%0.30333%0.334SS..SBendtrans-127.2134.7177.1-59.6175.9000107.7I17 K20 I21 R24I17-I26 HydrophobicContact CG1-CD1 4Å; K20-I26 HydrophobicContact CB-CD1 3.74Å; K20-I26 HydrophobicContact CB-CG1 4.03Å; K20-I26 HydrophobicContact CD-CD1 3.79Å; K20-I26 HydrophobicContact CG-CD1 4.4Å; I21-I26 HydrophobicContact CG1-CB 4.29Å; I21-I26 HydrophobicContact CG1-CG2 4.47Å; R24-I26 VanDerWaalsContact C-N 3.32Å
27P96.4Very high97.1Very high124 Ų12466.2 Ų66.281%0.80533%0.33SS*.  trans-66.2143.7179.727.9-35.5000111.6
28A97.6Very high97.3Very high36 Ų3662.3 Ų62.330%0.29831%0.31SS..  trans-142.9153.8169.300000109.6I21 I30 F40I21-A28 HydrophobicContact CD1-CB 4.38Å; I21-A28 HydrophobicContact CG1-CB 4.34Å; I21-A28 HydrophobicContact CG2-CB 3.52Å; A28-I30 PolarHBondContact O-N 3.31Å; A28-F40 HydrophobicContact CB-CB 4.08Å; A28-F40 HydrophobicContact CB-CD2 4.07Å; A28-F40 HydrophobicContact CB-CG 4.18Å
29N97.9Very high97.4Very high105 Ų10562 Ų6256%0.56131%0.309SS*.  trans-84.595.6172.8-178.411.4000109.3F40 H41N29-F40 CarbonylContact O-C 3.51Å; N29-F40 WeakPolarHBondContact O-CA 3.44Å; N29-F40 VanDerWaalsContact O-CB 3.31Å; N29-F40 WeakPolarHBondContact O-CB 3.39Å; N29-H41 HydrophobicContact CB-CB 4.19Å; N29-H41 VanDerWaalsContact CG-CD2 3.47Å; N29-H41 PolarHBondContact ND2-CD2 2.73Å; N29-H41 PolarHBondContact O-N 3.16Å
30I98.1Very high97.6Very high61 Ų6161.7 Ų61.731%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-80.1134.5-170.8-55.8165.7000110.7A28 F38A28-I30 PolarHBondContact O-N 3.31Å; I30-F38 HydrophobicContact CB-CZ 4.49Å; I30-F38 HydrophobicContact CD1-CE1 4.35Å; I30-F38 HydrophobicContact CD1-CE2 4.37Å; I30-F38 HydrophobicContact CD1-CZ 3.56Å; I30-F38 HydrophobicContact CG1-CE1 3.95Å; I30-F38 HydrophobicContact CG1-CZ 3.64Å; I30-F38 HydrophobicContact CG2-CE1 4.37Å; I30-F38 HydrophobicContact CG2-CE2 4.43Å; I30-F38 HydrophobicContact CG2-CZ 4.03Å
31I98.4Very high97.7Very high15 Ų1560.9 Ų60.98%0.07730%0.303CS..EExtended strand (participates in β ladder)trans-104.8-40.8178.8-59.8157.8000111.1A39 F51 C83 K86 L87I31-A39 HydrophobicContact CB-CB 4.36Å; I31-A39 PolarHBondContact N-O 2.77Å; I31-F51 HydrophobicContact CD1-CB 3.32Å; I31-F51 HydrophobicContact CD1-CD1 4.21Å; I31-F51 HydrophobicContact CD1-CD2 3.86Å; I31-F51 HydrophobicContact CD1-CG 3.56Å; I31-C83 HydrophobicContact CG2-CB 4.12Å; I31-K86 PolarHBondContact O-NZ 3.13Å; I31-L87 HydrophobicContact CD1-CD1 3.87Å; I31-L87 HydrophobicContact CG1-CD1 4.38Å; I31-L87 HydrophobicContact CG2-CD1 4.33Å
32Y98.6Very high97.7Very high84 Ų8461.4 Ų61.433%0.32931%0.306SS..EExtended strand (participates in β ladder)trans-153146.7-173.9178.2-90.8000110.6D34 A39 T79Y32-D34 HydrophobicContact CE1-CB 3.93Å; Y32-D34 WeakPolarHBondContact CE1-OD2 3.07Å; Y32-D34 WeakPolarHBondContact OH-CB 3.37Å; Y32-D34 PolarHBondContact OH-OD2 3.16Å; Y32-A39 PolarHBondContact N-O 3.34Å; Y32-A39 PolarHBondContact O-N 2.97Å; Y32-T79 HydrophobicContact CD1-CG2 3.42Å; Y32-T79 VanDerWaalsContact CD1-CG2 3.42Å; Y32-T79 HydrophobicContact CE1-CG2 3.6Å; Y32-T79 HydrophobicContact CG-CG2 4.01Å
33E98.3Very high97.7Very high71 Ų7164.1 Ų64.133%0.33233%0.332SS..EExtended strand (participates in β ladder)trans-149.9136.2171.5171.8170.2-159.900109.3R24 F38 K56R24-E33 IonicContact CZ-OE2 3.95Å; R24-E33 IonicContact NH2-OE2 3.69Å; R24-E33 PolarHBondContact NH2-OE2 2.95Å; E33-F38 HydrophobicContact CB-CD2 3.78Å; E33-F38 HydrophobicContact CB-CE2 3.94Å; E33-F38 HydrophobicContact CG-CD2 3.63Å; E33-F38 HydrophobicContact CG-CE2 3.87Å; E33-F38 WeakPolarHBondContact OE2-CE2 3.41Å; E33-K56 WeakPolarHBondContact OE1-CE 3.41Å; E33-K56 IonicContact OE1-NZ 3.13Å; E33-K56 PolarHBondContact OE1-NZ 3.31Å
34D98.1Very high97.7Very high27 Ų2765 Ų6514%0.14434%0.34CS..  trans-137.9-169.1162.971.434000111.2Y32 T36 V37 K56 K75Y32-D34 HydrophobicContact CE1-CB 3.93Å; Y32-D34 WeakPolarHBondContact CE1-OD2 3.07Å; Y32-D34 WeakPolarHBondContact OH-CB 3.37Å; Y32-D34 PolarHBondContact OH-OD2 3.16Å; D34-T36 PolarHBondContact O-N 3.28Å; D34-T36 VanDerWaalsContact O-N 3.16Å; D34-T36 WeakPolarHBondContact OD1-CA 3.47Å; D34-T36 PolarHBondContact OD1-N 2.94Å; D34-T36 PolarHBondContact OD1-OG1 2.79Å; D34-V37 PolarHBondContact N-O 2.62Å; D34-V37 PolarHBondContact OD1-N 2.85Å; D34-K56 WeakPolarHBondContact O-CD 3.47Å; D34-K56 WeakPolarHBondContact O-CE 3.5Å; D34-K56 PolarHBondContact O-NZ 3Å; D34-K75 VanDerWaalsContact CG-NZ 3.32Å; D34-K75 IonicContact OD1-NZ 3.3Å; D34-K75 PolarHBondContact OD1-NZ 3.35Å; D34-K75 WeakPolarHBondContact OD2-CE 3.42Å; D34-K75 IonicContact OD2-NZ 2.82Å; D34-K75 PolarHBondContact OD2-NZ 3.03Å
35D97.7Very high97.7Very high152 Ų15261.1 Ų61.181%0.81334%0.335SS*.SBendtrans-61.6-21.7-176.8-62-28.7000114.6K56D35-K56 WeakPolarHBondContact O-CD 3.46Å
36T98Very high97.7Very high53 Ų5361.3 Ų61.333%0.32534%0.336SS..SBendtrans-126.9-21.7-169.851.80000114D34 P55 K56 K75D34-T36 PolarHBondContact O-N 3.28Å; D34-T36 VanDerWaalsContact O-N 3.16Å; D34-T36 WeakPolarHBondContact OD1-CA 3.47Å; D34-T36 PolarHBondContact OD1-N 2.94Å; D34-T36 PolarHBondContact OD1-OG1 2.79Å; T36-P55 CarbonylContact O-C 3.49Å; T36-P55 WeakPolarHBondContact O-CA 3.47Å; T36-K56 PolarHBondContact O-N 2.81Å; T36-K75 WeakPolarHBondContact OG1-CD 3.34Å; T36-K75 WeakPolarHBondContact OG1-CE 3.3Å; T36-K75 PolarHBondContact OG1-NZ 3.42Å
37V98.5Very high97.8Very high0 Ų058.9 Ų58.90%033%0.325CS..EExtended strand (participates in β ladder)trans-134.6146.1-170.8178.60000110.4D34 V53 V54 L72 K75 L76 T79D34-V37 PolarHBondContact N-O 2.62Å; D34-V37 PolarHBondContact OD1-N 2.85Å; V37-V53 HydrophobicContact CG1-CG1 3.33Å; V37-V54 WeakPolarHBondContact CA-O 3.45Å; V37-L72 HydrophobicContact CG2-CD1 4.23Å; V37-K75 HydrophobicContact CG2-CD 4.07Å; V37-K75 HydrophobicContact CG2-CG 4.02Å; V37-L76 HydrophobicContact CB-CD2 4.43Å; V37-L76 HydrophobicContact CG1-CD2 3.86Å; V37-L76 HydrophobicContact CG2-CD2 3.8Å; V37-T79 HydrophobicContact CG1-CG2 3.86Å
38F98.3Very high97.9Very high1 Ų157.6 Ų57.60%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-136.4134.3-179.9-159.7-94.8000109.3I21 I22 I30 E33 F40 V54I21-F38 HydrophobicContact CG2-CD1 4.41Å; I21-F38 HydrophobicContact CG2-CE1 3.79Å; I22-F38 HydrophobicContact CG1-CB 4.2Å; I22-F38 HydrophobicContact CG1-CD1 4.34Å; I22-F38 HydrophobicContact CG1-CG 4.21Å; I30-F38 HydrophobicContact CB-CZ 4.49Å; I30-F38 HydrophobicContact CD1-CE1 4.35Å; I30-F38 HydrophobicContact CD1-CE2 4.37Å; I30-F38 HydrophobicContact CD1-CZ 3.56Å; I30-F38 HydrophobicContact CG1-CE1 3.95Å; I30-F38 HydrophobicContact CG1-CZ 3.64Å; I30-F38 HydrophobicContact CG2-CE1 4.37Å; I30-F38 HydrophobicContact CG2-CE2 4.43Å; I30-F38 HydrophobicContact CG2-CZ 4.03Å; E33-F38 HydrophobicContact CB-CD2 3.78Å; E33-F38 HydrophobicContact CB-CE2 3.94Å; E33-F38 HydrophobicContact CG-CD2 3.63Å; E33-F38 HydrophobicContact CG-CE2 3.87Å; E33-F38 WeakPolarHBondContact OE2-CE2 3.41Å; F38-F40 AromaticContact CD1-CD1 3.59Å; F38-F40 HydrophobicContact CD1-CD1 3.59Å; F38-F40 HydrophobicContact CD1-CE1 4.12Å; F38-F40 HydrophobicContact CE1-CB 4.48Å; F38-F40 AromaticContact CE1-CD1 3.92Å; F38-F40 HydrophobicContact CE1-CD1 3.92Å; F38-F40 HydrophobicContact CE1-CG 4.5Å; F38-V54 HydrophobicContact CB-CG2 4Å; F38-V54 PolarHBondContact N-O 3.26Å; F38-V54 PolarHBondContact O-N 3.47Å
39A98.8Very high98Very high0 Ų057.1 Ų57.10%031%0.31CS..EExtended strand (participates in β ladder)trans-129.2135.3178.400000111.8I31 Y32 L52 V53I31-A39 HydrophobicContact CB-CB 4.36Å; I31-A39 PolarHBondContact N-O 2.77Å; Y32-A39 PolarHBondContact N-O 3.34Å; Y32-A39 PolarHBondContact O-N 2.97Å; A39-L52 WeakPolarHBondContact CA-O 3.19Å; A39-V53 HydrophobicContact CB-CG2 4.04Å
40F98.7Very high98Very high7 Ų752.5 Ų52.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-153.8154.6-176.757.6-80.8000111F18 I21 A28 N29 F38 F51 L52 V54F18-F40 HydrophobicContact CD1-CE2 4.38Å; F18-F40 AromaticContact CD1-CZ 3.71Å; F18-F40 HydrophobicContact CD1-CZ 3.71Å; F18-F40 HydrophobicContact CE1-CE2 4.3Å; F18-F40 AromaticContact CE1-CZ 3.9Å; F18-F40 HydrophobicContact CE1-CZ 3.9Å; F18-F40 HydrophobicContact CG-CZ 4.32Å; I21-F40 HydrophobicContact CD1-CD2 4.44Å; I21-F40 HydrophobicContact CD1-CE2 3.81Å; I21-F40 HydrophobicContact CD1-CZ 4.09Å; I21-F40 HydrophobicContact CG2-CD1 4.25Å; I21-F40 HydrophobicContact CG2-CE1 4.22Å; I21-F40 HydrophobicContact CG2-CG 4.4Å; I21-F40 HydrophobicContact CG2-CZ 4.37Å; A28-F40 HydrophobicContact CB-CB 4.08Å; A28-F40 HydrophobicContact CB-CD2 4.07Å; A28-F40 HydrophobicContact CB-CG 4.18Å; N29-F40 CarbonylContact O-C 3.51Å; N29-F40 WeakPolarHBondContact O-CA 3.44Å; N29-F40 VanDerWaalsContact O-CB 3.31Å; N29-F40 WeakPolarHBondContact O-CB 3.39Å; F38-F40 AromaticContact CD1-CD1 3.59Å; F38-F40 HydrophobicContact CD1-CD1 3.59Å; F38-F40 HydrophobicContact CD1-CE1 4.12Å; F38-F40 HydrophobicContact CE1-CB 4.48Å; F38-F40 AromaticContact CE1-CD1 3.92Å; F38-F40 HydrophobicContact CE1-CD1 3.92Å; F38-F40 HydrophobicContact CE1-CG 4.5Å; F40-F51 WeakPolarHBondContact O-CA 3.21Å; F40-F51 WeakPolarHBondContact O-CB 3.27Å; F40-L52 HydrophobicContact CE1-CB 4.46Å; F40-L52 HydrophobicContact CE2-CB 4.43Å; F40-L52 HydrophobicContact CE2-CD1 3.98Å; F40-L52 HydrophobicContact CZ-CB 4.22Å; F40-L52 HydrophobicContact CZ-CD1 4.06Å; F40-L52 PolarHBondContact N-O 2.89Å; F40-L52 VanDerWaalsContact N-O 3.07Å; F40-L52 PolarHBondContact O-N 2.77Å; F40-V54 HydrophobicContact CE1-CG1 4Å; F40-V54 HydrophobicContact CE1-CG2 3.9Å; F40-V54 HydrophobicContact CZ-CG1 4.33Å
41H98.7Very high98.1Very high57 Ų5749.6 Ų49.626%0.26427%0.27SS..EExtended strand (participates in β ladder)trans-64.1139.5177.2-71.3-90.8000111.6N29N29-H41 HydrophobicContact CB-CB 4.19Å; N29-H41 VanDerWaalsContact CG-CD2 3.47Å; N29-H41 PolarHBondContact ND2-CD2 2.73Å; N29-H41 PolarHBondContact O-N 3.16Å
42D98.2Very high98.1Very high26 Ų2649 Ų4914%0.13927%0.267CS..  trans-66.9134.5172.3-166.1-55.5000109.2F44 H50 L52 H113D42-F44 PolarHBondContact O-N 2.7Å; D42-F44 WeakPolarHBondContact OD1-CA 3.43Å; D42-F44 PolarHBondContact OD1-N 2.76Å; D42-H50 HydrophobicContact CB-CB 4.35Å; D42-H50 PolarHBondContact N-O 3.07Å; D42-H50 IonicContact OD2-CE1 3.37Å; D42-H50 PolarHBondContact OD2-CE1 2.9Å; D42-H50 IonicContact OD2-ND1 3.15Å; D42-H50 IonicContact OD2-NE2 2.74Å; D42-L52 HydrophobicContact CB-CD2 4.48Å; D42-L52 HydrophobicContact CB-CG 4.29Å; D42-H113 IonicContact OD2-CE1 2.73Å; D42-H113 IonicContact OD2-ND1 3.93Å
43A96.2Very high98.1Very high83 Ų8345 Ų4569%0.68625%0.251SS*.SBendtrans-69.3-18.9179.400000113.2
44F95.4Very high98.1Very high133 Ų13341.7 Ų41.758%0.58324%0.235SC*.SBendtrans-126.568.5-179.6-56.5-79.6000110.3D42 Q46D42-F44 PolarHBondContact O-N 2.7Å; D42-F44 WeakPolarHBondContact OD1-CA 3.43Å; D42-F44 PolarHBondContact OD1-N 2.76Å; F44-Q46 PolarHBondContact O-N 3.42Å; F44-Q46 PolarHBondContact O-NE2 3.17Å
45P97.3Very high98.1Very high77 Ų7740.4 Ų40.450%0.523%0.229SC..  trans-61.7136.4-171.325.9-35.4000113.1H50P45-H50 HydrophobicContact CB-CB 3.79Å
46Q97.3Very high98.1Very high116 Ų11636.1 Ų36.154%0.54220%0.203SC..SBendtrans-104.32.7176.2-56.9-55-55.900112.7F44 H50 L115 R118F44-Q46 PolarHBondContact O-N 3.42Å; F44-Q46 PolarHBondContact O-NE2 3.17Å; Q46-H50 PolarHBondContact N-ND1 3.36Å; Q46-L115 HydrophobicContact CB-CD2 3.9Å; Q46-R118 PolarHBondContact O-NE 3.24Å; Q46-R118 PolarHBondContact O-NH2 3.46Å
47A98.3Very high98Very high9 Ų937.9 Ų37.97%0.07421%0.206CC..SBendtrans-152.2161.4176.100000108.9V49 L115 G116 R118A47-V49 PolarHBondContact O-N 3.09Å; A47-V49 VanDerWaalsContact O-N 3.16Å; A47-L115 HydrophobicContact CB-CB 4.1Å; A47-L115 HydrophobicContact CB-CD2 4.46Å; A47-G116 WeakPolarHBondContact CB-O 3.48Å; A47-R118 HydrophobicContact CB-CG 4.27Å
48P98.4Very high97.8Very high97 Ų9742.4 Ų42.463%0.6324%0.235SC*.SBendtrans-52.2-36.8178.3-30.638.4000113.4G116 R118P48-G116 WeakPolarHBondContact CD-O 3.42Å; P48-R118 HydrophobicContact CG-CB 4.39Å
49V98.8Very high97.7Very high25 Ų2542.8 Ų42.815%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-114.5116.3164.2-176.20000108.2A47 F51 L87 L89 L115 G116A47-V49 PolarHBondContact O-N 3.09Å; A47-V49 VanDerWaalsContact O-N 3.16Å; V49-F51 HydrophobicContact CG1-CD1 3.91Å; V49-F51 HydrophobicContact CG1-CE1 4.29Å; V49-L87 HydrophobicContact CG1-CB 4.29Å; V49-L87 HydrophobicContact CG1-CD1 3.87Å; V49-L89 HydrophobicContact CB-CD1 4.11Å; V49-L89 HydrophobicContact CB-CD2 3.81Å; V49-L89 HydrophobicContact CB-CG 4.3Å; V49-L89 HydrophobicContact CG1-CD1 3.85Å; V49-L89 HydrophobicContact CG1-CD2 4.31Å; V49-L89 HydrophobicContact CG1-CG 4.26Å; V49-L89 HydrophobicContact CG2-CD2 3.7Å; V49-L89 HydrophobicContact CG2-CG 4.4Å; V49-L115 WeakPolarHBondContact O-CA 3.27Å; V49-G116 PolarHBondContact N-O 3.21Å; V49-G116 VanDerWaalsContact N-O 3.09Å; V49-G116 PolarHBondContact O-N 3.35Å
50H98.8Very high97.5Very high8 Ų845 Ų454%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-135.7117.5170.5-172.3-161.1000108.9D42 P45 Q46 H113 V114D42-H50 HydrophobicContact CB-CB 4.35Å; D42-H50 PolarHBondContact N-O 3.07Å; D42-H50 IonicContact OD2-CE1 3.37Å; D42-H50 PolarHBondContact OD2-CE1 2.9Å; D42-H50 IonicContact OD2-ND1 3.15Å; D42-H50 IonicContact OD2-NE2 2.74Å; P45-H50 HydrophobicContact CB-CB 3.79Å; Q46-H50 PolarHBondContact N-ND1 3.36Å; H50-H113 AromaticContact CE1-ND1 3.47Å; H50-H113 PolarHBondContact CE1-ND1 2.86Å; H50-H113 AromaticContact NE2-CE1 3.97Å; H50-H113 AromaticContact NE2-CG 3.7Å; H50-H113 AromaticContact NE2-ND1 2.9Å; H50-H113 PolarHBondContact NE2-ND1 2.8Å; H50-V114 WeakPolarHBondContact CA-O 3.41Å
51F98.9Very high97.4Very high0 Ų046.2 Ų46.20%026%0.255CS..EExtended strand (participates in β ladder)trans-139.6163176.170.3-91000111.4I31 F40 V49 V53 C83 A84 L87 L89 V114I31-F51 HydrophobicContact CD1-CB 3.32Å; I31-F51 HydrophobicContact CD1-CD1 4.21Å; I31-F51 HydrophobicContact CD1-CD2 3.86Å; I31-F51 HydrophobicContact CD1-CG 3.56Å; F40-F51 WeakPolarHBondContact O-CA 3.21Å; F40-F51 WeakPolarHBondContact O-CB 3.27Å; V49-F51 HydrophobicContact CG1-CD1 3.91Å; V49-F51 HydrophobicContact CG1-CE1 4.29Å; F51-V53 HydrophobicContact CD2-CG2 4.05Å; F51-V53 HydrophobicContact CE2-CG2 3.66Å; F51-C83 HydrophobicContact CD2-CB 4.4Å; F51-C83 HydrophobicContact CE1-CB 4.38Å; F51-C83 HydrophobicContact CE2-CB 3.42Å; F51-C83 VanDerWaalsContact CE2-CB 3.42Å; F51-C83 HydrophobicContact CZ-CB 3.41Å; F51-C83 VanDerWaalsContact CZ-CB 3.41Å; F51-A84 HydrophobicContact CZ-CB 4.4Å; F51-L87 HydrophobicContact CD1-CD1 3.66Å; F51-L87 HydrophobicContact CE1-CD1 3.8Å; F51-L87 HydrophobicContact CG-CD1 4.38Å; F51-L89 HydrophobicContact CE1-CD1 4.49Å; F51-V114 HydrophobicContact CD1-CB 3.85Å; F51-V114 HydrophobicContact CD1-CG1 4.28Å; F51-V114 HydrophobicContact CD2-CB 4.14Å; F51-V114 HydrophobicContact CD2-CG2 3.98Å; F51-V114 HydrophobicContact CE1-CB 3.45Å; F51-V114 VanDerWaalsContact CE1-CB 3.45Å; F51-V114 HydrophobicContact CE1-CG1 3.46Å; F51-V114 VanDerWaalsContact CE1-CG1 3.46Å; F51-V114 HydrophobicContact CE1-CG2 4.05Å; F51-V114 HydrophobicContact CE2-CB 3.77Å; F51-V114 HydrophobicContact CE2-CG1 4.34Å; F51-V114 HydrophobicContact CE2-CG2 3.4Å; F51-V114 VanDerWaalsContact CE2-CG2 3.4Å; F51-V114 HydrophobicContact CG-CB 4.18Å; F51-V114 HydrophobicContact CZ-CB 3.4Å; F51-V114 HydrophobicContact CZ-CG1 3.5Å; F51-V114 HydrophobicContact CZ-CG2 3.44Å; F51-V114 VanDerWaalsContact CZ-CG2 3.44Å; F51-V114 PolarHBondContact N-O 3.43Å; F51-V114 VanDerWaalsContact N-O 3.12Å; F51-V114 PolarHBondContact O-N 2.87Å
52L98.8Very high97.4Very high4 Ų446.5 Ų46.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-113.3140-179.7-53.3-177.4000109.2F18 A39 F40 D42 V54 V112 H113F18-L52 HydrophobicContact CE1-CD1 3.8Å; F18-L52 HydrophobicContact CE2-CD1 4.44Å; F18-L52 HydrophobicContact CZ-CD1 3.54Å; A39-L52 WeakPolarHBondContact CA-O 3.19Å; F40-L52 HydrophobicContact CE1-CB 4.46Å; F40-L52 HydrophobicContact CE2-CB 4.43Å; F40-L52 HydrophobicContact CE2-CD1 3.98Å; F40-L52 HydrophobicContact CZ-CB 4.22Å; F40-L52 HydrophobicContact CZ-CD1 4.06Å; F40-L52 PolarHBondContact N-O 2.89Å; F40-L52 VanDerWaalsContact N-O 3.07Å; F40-L52 PolarHBondContact O-N 2.77Å; D42-L52 HydrophobicContact CB-CD2 4.48Å; D42-L52 HydrophobicContact CB-CG 4.29Å; L52-V54 HydrophobicContact CB-CG1 4.3Å; L52-V112 WeakPolarHBondContact CA-O 3.43Å; L52-H113 HydrophobicContact CD2-CB 4.29Å; L52-H113 WeakPolarHBondContact CD2-ND1 3.35Å
53V98.9Very high97.3Very high0 Ų052.3 Ų52.30%029%0.285CS..EExtended strand (participates in β ladder)trans-113.2123.3164.3-172.90000108V37 A39 F51 L76 T79 A80 H111 V112 V114V37-V53 HydrophobicContact CG1-CG1 3.33Å; A39-V53 HydrophobicContact CB-CG2 4.04Å; F51-V53 HydrophobicContact CD2-CG2 4.05Å; F51-V53 HydrophobicContact CE2-CG2 3.66Å; V53-L76 HydrophobicContact CG1-CB 4.46Å; V53-L76 HydrophobicContact CG1-CD2 3.9Å; V53-T79 HydrophobicContact CG1-CG2 4.06Å; V53-A80 HydrophobicContact CG2-CB 3.88Å; V53-H111 WeakPolarHBondContact O-CA 3.04Å; V53-V112 HydrophobicContact CB-CB 4.33Å; V53-V112 PolarHBondContact N-O 3.16Å; V53-V112 PolarHBondContact O-N 3.38Å; V53-V114 HydrophobicContact CG2-CG2 4.4Å
54V98.5Very high97.3Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-127.6146.4-174.7-50.10000110.7F18 I22 V37 F38 F40 L52 H111F18-V54 HydrophobicContact CD2-CG1 4.01Å; F18-V54 HydrophobicContact CE2-CG1 4.31Å; F18-V54 HydrophobicContact CG-CG1 4.47Å; I22-V54 HydrophobicContact CD1-CG2 4.02Å; I22-V54 HydrophobicContact CG1-CG2 4.35Å; V37-V54 WeakPolarHBondContact CA-O 3.45Å; F38-V54 HydrophobicContact CB-CG2 4Å; F38-V54 PolarHBondContact N-O 3.26Å; F38-V54 PolarHBondContact O-N 3.47Å; F40-V54 HydrophobicContact CE1-CG1 4Å; F40-V54 HydrophobicContact CE1-CG2 3.9Å; F40-V54 HydrophobicContact CZ-CG1 4.33Å; L52-V54 HydrophobicContact CB-CG1 4.3Å; V54-H111 HydrophobicContact CG1-CB 3.63Å
55P98.2Very high97.4Very high0 Ų047.3 Ų47.30%026%0.257CS..EExtended strand (participates in β ladder)trans-71152.3169.830.8-30.6000110.4T36 K57 L72 L76 H109 V110T36-P55 CarbonylContact O-C 3.49Å; T36-P55 WeakPolarHBondContact O-CA 3.47Å; P55-K57 VanDerWaalsContact C-N 3.33Å; P55-K57 HydrophobicContact CB-CB 4.46Å; P55-K57 WeakPolarHBondContact CG-O 3.46Å; P55-L72 HydrophobicContact CB-CD1 4.02Å; P55-L72 HydrophobicContact CB-CD2 3.84Å; P55-L72 HydrophobicContact CB-CG 4.17Å; P55-L76 HydrophobicContact CB-CD2 4.3Å; P55-L76 HydrophobicContact CG-CD1 4.45Å; P55-H109 PolarHBondContact O-CE1 3.36Å; P55-H109 PolarHBondContact O-NE2 3.28Å; P55-V110 WeakPolarHBondContact CD-O 3.47Å; P55-V110 HydrophobicContact CG-CB 4.39Å
56K97.7Very high97.5Very high62 Ų6247.2 Ų47.227%0.2726%0.255SS..SBendtrans-75.1-27.9166.1-73.6-174.7167.9178.10111.6I22 E33 D34 D35 T36I22-K56 HydrophobicContact CG2-CD 4.45Å; I22-K56 HydrophobicContact CG2-CG 4Å; E33-K56 WeakPolarHBondContact OE1-CE 3.41Å; E33-K56 IonicContact OE1-NZ 3.13Å; E33-K56 PolarHBondContact OE1-NZ 3.31Å; D34-K56 WeakPolarHBondContact O-CD 3.47Å; D34-K56 WeakPolarHBondContact O-CE 3.5Å; D34-K56 PolarHBondContact O-NZ 3Å; D35-K56 WeakPolarHBondContact O-CD 3.46Å; T36-K56 PolarHBondContact O-N 2.81Å
57K96Very high97.5Very high90 Ų9046 Ų4639%0.39126%0.264SS..SBendtrans-62128.9169.2179.3-178.2176.3-178.40108.8P55 L59 D69 L72P55-K57 VanDerWaalsContact C-N 3.33Å; P55-K57 HydrophobicContact CB-CB 4.46Å; P55-K57 WeakPolarHBondContact CG-O 3.46Å; K57-L59 PolarHBondContact O-N 2.81Å; K57-D69 WeakPolarHBondContact CD-OD1 3.26Å; K57-D69 VanDerWaalsContact NZ-CG 3.27Å; K57-D69 IonicContact NZ-OD1 3.07Å; K57-D69 PolarHBondContact NZ-OD1 2.86Å; K57-D69 IonicContact NZ-OD2 3.66Å; K57-D69 PolarHBondContact NZ-OD2 3.04Å; K57-L72 HydrophobicContact CB-CD2 4Å; K57-L72 HydrophobicContact CD-CD2 4.03Å
58P94Very high97.5Very high95 Ų9553.8 Ų53.862%0.61730%0.3SS*.  trans-76.366.9178.733.3-36.6000111.4
59L95.4Very high97.5Very high10 Ų1049.4 Ų49.45%0.05227%0.271CS..  trans-82.4114171.4-179.963.7000108K57 N64 A65 L73 H109 V110K57-L59 PolarHBondContact O-N 2.81Å; L59-N64 HydrophobicContact CD1-CB 4.38Å; L59-A65 HydrophobicContact CD2-CB 4.02Å; L59-L73 HydrophobicContact CD2-CD2 4.41Å; L59-H109 CarbonylContact O-C 3.46Å; L59-H109 VanDerWaalsContact O-CA 3.3Å; L59-H109 WeakPolarHBondContact O-CA 3.38Å; L59-V110 HydrophobicContact CB-CG2 4.29Å; L59-V110 HydrophobicContact CD2-CB 4.31Å; L59-V110 HydrophobicContact CD2-CG2 3.78Å; L59-V110 HydrophobicContact CG-CB 4.4Å; L59-V110 HydrophobicContact CG-CG2 3.7Å; L59-V110 PolarHBondContact O-N 2.69Å
60D95.5Very high97.5Very high46 Ų4653 Ų5325%0.24629%0.293CS..  trans-76.5-42.8-169.262.2-22.2000113.8N64 Q105 F108 H109D60-N64 WeakPolarHBondContact OD1-CB 3.41Å; D60-N64 PolarHBondContact OD1-ND2 3.01Å; D60-N64 PolarHBondContact OD2-ND2 3.09Å; D60-Q105 PolarHBondContact O-NE2 3.41Å; D60-F108 HydrophobicContact CB-CB 4.41Å; D60-F108 CarbonylContact O-C 3.11Å; D60-F108 WeakPolarHBondContact O-CA 3Å; D60-H109 PolarHBondContact O-N 3.31Å
61M96.5Very high97.5Very high32 Ų3260.5 Ų60.516%0.15833%0.328CS..  trans-137.5154.6-178.5-61.3-174.969.300110.8E63 N64 F108 V110M61-E63 VanDerWaalsContact C-N 3.27Å; M61-E63 PolarHBondContact O-N 2.93Å; M61-N64 PolarHBondContact O-N 2.93Å; M61-F108 HydrophobicContact CE-CE1 4.31Å; M61-F108 HydrophobicContact CG-CD1 3.65Å; M61-F108 HydrophobicContact CG-CE1 3.85Å; M61-F108 HydrophobicContact SD-CD1 3.87Å; M61-F108 HydrophobicContact SD-CE1 3.43Å; M61-F108 WeakPolarHBondContact SD-CE1 3.18Å; M61-F108 HydrophobicContact SD-CZ 4.47Å; M61-V110 VanDerWaalsContact C-CG2 3.44Å
62L97.7Very high97.5Very high64 Ų6461.7 Ų61.734%0.33533%0.334SS..G310 helixtrans-65.3-35.2175-176.763.9000111.2N64 A65 L73 I97 N99L62-N64 PolarHBondContact O-N 3.01Å; L62-N64 VanDerWaalsContact O-N 3.12Å; L62-A65 VanDerWaalsContact O-CB 3.27Å; L62-A65 WeakPolarHBondContact O-CB 3.25Å; L62-A65 PolarHBondContact O-N 3.16Å; L62-L73 HydrophobicContact CD1-CD1 4.21Å; L62-L73 HydrophobicContact CD1-CD2 4.2Å; L62-I97 HydrophobicContact CB-CG2 4.34Å; L62-I97 HydrophobicContact CD2-CG2 4.04Å; L62-N99 HydrophobicContact CB-CB 4.49Å; L62-N99 PolarHBondContact N-OD1 2.89Å
63E96.6Very high97.4Very high147 Ų14763.5 Ų63.569%0.68734%0.344SS*.G310 helixtrans-58.9-22.7177.1-148.775.2-157.900113.6M61 N99M61-E63 VanDerWaalsContact C-N 3.27Å; M61-E63 PolarHBondContact O-N 2.93Å; E63-N99 PolarHBondContact N-OD1 3.04Å; E63-N99 PolarHBondContact OE2-ND2 3.35Å
64N96.6Very high97.4Very high81 Ų8165.2 Ų65.243%0.43336%0.361SS..G310 helixtrans-94.9-0.8-179-65.5-24.3000112.9L59 D60 M61 L62L59-N64 HydrophobicContact CD1-CB 4.38Å; D60-N64 WeakPolarHBondContact OD1-CB 3.41Å; D60-N64 PolarHBondContact OD1-ND2 3.01Å; D60-N64 PolarHBondContact OD2-ND2 3.09Å; M61-N64 PolarHBondContact O-N 2.93Å; L62-N64 PolarHBondContact O-N 3.01Å; L62-N64 VanDerWaalsContact O-N 3.12Å
65A98Very high97.4Very high30 Ų3068.5 Ų68.525%0.24838%0.375CS..  trans-67.1139.9175.400000110.6L59 L62 D69 L73L59-A65 HydrophobicContact CD2-CB 4.02Å; L62-A65 VanDerWaalsContact O-CB 3.27Å; L62-A65 WeakPolarHBondContact O-CB 3.25Å; L62-A65 PolarHBondContact O-N 3.16Å; A65-D69 HydrophobicContact CB-CB 4.26Å; A65-L73 HydrophobicContact CB-CD1 3.97Å
66T98.3Very high97.5Very high76 Ų7668.6 Ų68.647%0.46638%0.376SS..  trans-109.1176.9176.775.30000111.2E68 D69T66-E68 PolarHBondContact O-N 3.12Å; T66-E68 VanDerWaalsContact O-N 3.16Å; T66-E68 PolarHBondContact OG1-N 2.84Å; T66-D69 PolarHBondContact N-OD2 3.12Å; T66-D69 VanDerWaalsContact N-OD2 3.09Å; T66-D69 WeakPolarHBondContact O-CB 3.49Å; T66-D69 PolarHBondContact O-N 2.85Å
67A98.2Very high97.5Very high89 Ų8969 Ų6974%0.73638%0.38SS*.G310 helixtrans-57.5-27.5174.200000112.9D69 T70A67-D69 PolarHBondContact O-N 2.93Å; A67-T70 WeakPolarHBondContact O-CB 3.43Å; A67-T70 PolarHBondContact O-N 3.25Å; A67-T70 PolarHBondContact O-OG1 3.45Å
68E98.2Very high97.7Very high174 Ų17469.7 Ų69.781%0.81339%0.388SS*.G310 helixtrans-67.8-21.6176.4-60.8177177.400112.5T66 T70T66-E68 PolarHBondContact O-N 3.12Å; T66-E68 VanDerWaalsContact O-N 3.16Å; T66-E68 PolarHBondContact OG1-N 2.84Å; E68-T70 VanDerWaalsContact C-N 3.31Å
69D98.3Very high97.9Very high5 Ų565.6 Ų65.63%0.02736%0.361CS..G310 helixtrans-84.2-2.8179-69.9-59.4000113.6K57 A65 T66 A67 E71 L72 L73K57-D69 WeakPolarHBondContact CD-OD1 3.26Å; K57-D69 VanDerWaalsContact NZ-CG 3.27Å; K57-D69 IonicContact NZ-OD1 3.07Å; K57-D69 PolarHBondContact NZ-OD1 2.86Å; K57-D69 IonicContact NZ-OD2 3.66Å; K57-D69 PolarHBondContact NZ-OD2 3.04Å; A65-D69 HydrophobicContact CB-CB 4.26Å; T66-D69 PolarHBondContact N-OD2 3.12Å; T66-D69 VanDerWaalsContact N-OD2 3.09Å; T66-D69 WeakPolarHBondContact O-CB 3.49Å; T66-D69 PolarHBondContact O-N 2.85Å; A67-D69 PolarHBondContact O-N 2.93Å; D69-E71 PolarHBondContact O-N 3.03Å; D69-L72 PolarHBondContact O-N 2.75Å; D69-L72 VanDerWaalsContact O-N 3.12Å; D69-L73 HydrophobicContact CB-CD1 4.35Å; D69-L73 HydrophobicContact CB-CG 4.29Å; D69-L73 WeakPolarHBondContact O-CG 3.48Å; D69-L73 PolarHBondContact O-N 2.72Å
70T98.3Very high98.1Very high100 Ų10065.1 Ų65.161%0.61336%0.358SS*.Hα-helixtrans-53.9-48.7-173.6-59.40000112.7A67 E68 G74A67-T70 WeakPolarHBondContact O-CB 3.43Å; A67-T70 PolarHBondContact O-N 3.25Å; A67-T70 PolarHBondContact O-OG1 3.45Å; E68-T70 VanDerWaalsContact C-N 3.31Å; T70-G74 PolarHBondContact O-N 2.8Å
71E98.5Very high98.2Very high166 Ų16667 Ų6778%0.77636%0.364SS*.Hα-helixtrans-66.8-41.4-179.6-172.8176.117900111.5D69 G74 K75D69-E71 PolarHBondContact O-N 3.03Å; E71-G74 PolarHBondContact O-N 2.86Å; E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 PolarHBondContact O-N 3.37Å
72L98.6Very high98.3Very high24 Ų2470 Ų7013%0.12638%0.378CS..Hα-helixtrans-61.6-48.1177.5177.760.8000111.2V37 P55 K57 D69 G74 K75 L76V37-L72 HydrophobicContact CG2-CD1 4.23Å; P55-L72 HydrophobicContact CB-CD1 4.02Å; P55-L72 HydrophobicContact CB-CD2 3.84Å; P55-L72 HydrophobicContact CB-CG 4.17Å; K57-L72 HydrophobicContact CB-CD2 4Å; K57-L72 HydrophobicContact CD-CD2 4.03Å; D69-L72 PolarHBondContact O-N 2.75Å; D69-L72 VanDerWaalsContact O-N 3.12Å; L72-G74 PolarHBondContact O-N 3.13Å; L72-K75 WeakPolarHBondContact O-CB 3.43Å; L72-K75 PolarHBondContact O-N 2.89Å; L72-K75 VanDerWaalsContact O-N 3.15Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.44Å
73L98.6Very high98.4Very high43 Ų4367 Ų6723%0.22536%0.362CS..Hα-helixtrans-62.8-42.7178.7-67177.7000111.6L59 L62 A65 D69 K75 L76 I77L59-L73 HydrophobicContact CD2-CD2 4.41Å; L62-L73 HydrophobicContact CD1-CD1 4.21Å; L62-L73 HydrophobicContact CD1-CD2 4.2Å; A65-L73 HydrophobicContact CB-CD1 3.97Å; D69-L73 HydrophobicContact CB-CD1 4.35Å; D69-L73 HydrophobicContact CB-CG 4.29Å; D69-L73 WeakPolarHBondContact O-CG 3.48Å; D69-L73 PolarHBondContact O-N 2.72Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.26Å; L73-L76 HydrophobicContact CD2-CD1 4.14Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 2.84Å; L73-I77 PolarHBondContact O-N 2.97Å
74G98.7Very high98.5Very high35 Ų3560 Ų6036%0.36133%0.33SS..Hα-helixtrans-59.8-41.7172.900000112.1T70 E71 L72 L76 I77 L78T70-G74 PolarHBondContact O-N 2.8Å; E71-G74 PolarHBondContact O-N 2.86Å; L72-G74 PolarHBondContact O-N 3.13Å; G74-L76 PolarHBondContact O-N 3.17Å; G74-I77 PolarHBondContact O-N 3.37Å; G74-L78 WeakPolarHBondContact O-CG 3.44Å; G74-L78 PolarHBondContact O-N 3.19Å
75K98.7Very high98.5Very high69 Ų6963.2 Ų63.230%0.334%0.34SS..Hα-helixtrans-63.7-37.4177.2-168.7173.2179.3-178.60112.4D34 T36 V37 E71 L72 L73 I77 L78 T79D34-K75 VanDerWaalsContact CG-NZ 3.32Å; D34-K75 IonicContact OD1-NZ 3.3Å; D34-K75 PolarHBondContact OD1-NZ 3.35Å; D34-K75 WeakPolarHBondContact OD2-CE 3.42Å; D34-K75 IonicContact OD2-NZ 2.82Å; D34-K75 PolarHBondContact OD2-NZ 3.03Å; T36-K75 WeakPolarHBondContact OG1-CD 3.34Å; T36-K75 WeakPolarHBondContact OG1-CE 3.3Å; T36-K75 PolarHBondContact OG1-NZ 3.42Å; V37-K75 HydrophobicContact CG2-CD 4.07Å; V37-K75 HydrophobicContact CG2-CG 4.02Å; E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.45Å; E71-K75 PolarHBondContact O-N 3.37Å; L72-K75 WeakPolarHBondContact O-CB 3.43Å; L72-K75 PolarHBondContact O-N 2.89Å; L72-K75 VanDerWaalsContact O-N 3.15Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.26Å; K75-I77 VanDerWaalsContact C-N 3.33Å; K75-I77 PolarHBondContact O-N 3.28Å; K75-L78 PolarHBondContact O-N 3.09Å; K75-T79 VanDerWaalsContact O-CB 3.29Å; K75-T79 WeakPolarHBondContact O-CB 3.46Å; K75-T79 PolarHBondContact O-N 2.74Å; K75-T79 PolarHBondContact O-OG1 2.92Å
76L98.8Very high98.6Very high2 Ų268.6 Ų68.61%0.0136%0.358CS..Hα-helixtrans-58.7-45.6174.2-64.1176.2000111.3V37 V53 P55 L72 L73 G74 T79 A80 V110 V112V37-L76 HydrophobicContact CB-CD2 4.43Å; V37-L76 HydrophobicContact CG1-CD2 3.86Å; V37-L76 HydrophobicContact CG2-CD2 3.8Å; V53-L76 HydrophobicContact CG1-CB 4.46Å; V53-L76 HydrophobicContact CG1-CD2 3.9Å; P55-L76 HydrophobicContact CB-CD2 4.3Å; P55-L76 HydrophobicContact CG-CD1 4.45Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.44Å; L73-L76 HydrophobicContact CD2-CD1 4.14Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 2.84Å; G74-L76 PolarHBondContact O-N 3.17Å; L76-T79 PolarHBondContact O-N 3.42Å; L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 3.11Å; L76-V110 HydrophobicContact CD1-CG1 4.16Å; L76-V112 HydrophobicContact CB-CG2 3.95Å; L76-V112 HydrophobicContact CD1-CG2 4.4Å
77I98.8Very high98.6Very high70 Ų7067.2 Ų67.236%0.35935%0.347SS..Hα-helixtrans-66.1-44179.4-58.3-59.5000111.4L73 G74 K75 A80 K81 L95 V112L73-I77 PolarHBondContact O-N 2.97Å; G74-I77 PolarHBondContact O-N 3.37Å; K75-I77 VanDerWaalsContact C-N 3.33Å; K75-I77 PolarHBondContact O-N 3.28Å; I77-A80 WeakPolarHBondContact O-CB 3.4Å; I77-A80 PolarHBondContact O-N 3.15Å; I77-K81 PolarHBondContact O-N 3.11Å; I77-K81 VanDerWaalsContact O-N 3.07Å; I77-L95 HydrophobicContact CD1-CD1 4.04Å; I77-L95 HydrophobicContact CG2-CD1 4.03Å; I77-V112 HydrophobicContact CD1-CG1 4.36Å; I77-V112 HydrophobicContact CD1-CG2 4.33Å
78L98.8Very high98.6Very high105 Ų10570.5 Ų70.555%0.5535%0.347SS..Hα-helixtrans-65.4-40.1177.6-68.9174.3000111.8G74 K75 K81 E82G74-L78 WeakPolarHBondContact O-CG 3.44Å; G74-L78 PolarHBondContact O-N 3.19Å; K75-L78 PolarHBondContact O-N 3.09Å; L78-K81 WeakPolarHBondContact O-CB 3.32Å; L78-K81 PolarHBondContact O-N 3.07Å; L78-E82 PolarHBondContact O-N 2.95Å
79T98.8Very high98.6Very high9 Ų962.9 Ų62.96%0.05531%0.312CS..Hα-helixtrans-64.5-40.9175.5-53.10000111.1Y32 V37 V53 K75 L76 K81 E82 C83Y32-T79 HydrophobicContact CD1-CG2 3.42Å; Y32-T79 VanDerWaalsContact CD1-CG2 3.42Å; Y32-T79 HydrophobicContact CE1-CG2 3.6Å; Y32-T79 HydrophobicContact CG-CG2 4.01Å; V37-T79 HydrophobicContact CG1-CG2 3.86Å; V53-T79 HydrophobicContact CG1-CG2 4.06Å; K75-T79 VanDerWaalsContact O-CB 3.29Å; K75-T79 WeakPolarHBondContact O-CB 3.46Å; K75-T79 PolarHBondContact O-N 2.74Å; K75-T79 PolarHBondContact O-OG1 2.92Å; L76-T79 PolarHBondContact O-N 3.42Å; T79-K81 VanDerWaalsContact C-N 3.32Å; T79-K81 PolarHBondContact O-N 3.29Å; T79-E82 PolarHBondContact O-N 2.79Å; T79-C83 WeakPolarHBondContact O-CB 3.39Å; T79-C83 PolarHBondContact O-N 3.26Å; T79-C83 PolarHBondContact O-SG 2.89Å
80A98.9Very high98.5Very high0 Ų069.2 Ų69.20%035%0.345CS..Hα-helixtrans-57.8-44.5174.300000111.8V53 L76 I77 C83 A84 L95 V112 V114V53-A80 HydrophobicContact CG2-CB 3.88Å; L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 3.11Å; I77-A80 WeakPolarHBondContact O-CB 3.4Å; I77-A80 PolarHBondContact O-N 3.15Å; A80-C83 PolarHBondContact O-N 2.73Å; A80-A84 VanDerWaalsContact O-CB 3.29Å; A80-A84 WeakPolarHBondContact O-CB 3.42Å; A80-A84 PolarHBondContact O-N 3.24Å; A80-L95 HydrophobicContact CB-CD1 4.47Å; A80-L95 HydrophobicContact CB-CD2 3.86Å; A80-V112 HydrophobicContact CB-CG1 4.41Å; A80-V114 HydrophobicContact CB-CG2 3.71Å
81K98.6Very high98.4Very high86 Ų8673.9 Ų73.937%0.37436%0.36SS..Hα-helixtrans-61.2-47.6175.1-178.4-145.670.61790112.2I77 L78 T79 A84 K85 Y93I77-K81 PolarHBondContact O-N 3.11Å; I77-K81 VanDerWaalsContact O-N 3.07Å; L78-K81 WeakPolarHBondContact O-CB 3.32Å; L78-K81 PolarHBondContact O-N 3.07Å; T79-K81 VanDerWaalsContact C-N 3.32Å; T79-K81 PolarHBondContact O-N 3.29Å; K81-A84 PolarHBondContact O-N 3.04Å; K81-K85 PolarHBondContact O-N 3.21Å; K81-Y93 WeakPolarHBondContact CG-OH 3.44Å
82E98.6Very high98.4Very high94 Ų9467.9 Ų67.944%0.43934%0.342SS..Hα-helixtrans-64.6-40.9178.7-67-55.8148.400112.2L78 T79 K85 K86L78-E82 PolarHBondContact O-N 2.95Å; T79-E82 PolarHBondContact O-N 2.79Å; E82-K85 PolarHBondContact O-N 3.39Å; E82-K86 WeakPolarHBondContact O-CB 3.31Å; E82-K86 PolarHBondContact O-N 3.24Å
83C98.8Very high98.4Very high2 Ų270.9 Ų70.91%0.01435%0.353CS..Hα-helixtrans-65.1-41.7175.6-68.40000111.9I31 F51 T79 A80 K85 K86 L87I31-C83 HydrophobicContact CG2-CB 4.12Å; F51-C83 HydrophobicContact CD2-CB 4.4Å; F51-C83 HydrophobicContact CE1-CB 4.38Å; F51-C83 HydrophobicContact CE2-CB 3.42Å; F51-C83 VanDerWaalsContact CE2-CB 3.42Å; F51-C83 HydrophobicContact CZ-CB 3.41Å; F51-C83 VanDerWaalsContact CZ-CB 3.41Å; T79-C83 WeakPolarHBondContact O-CB 3.39Å; T79-C83 PolarHBondContact O-N 3.26Å; T79-C83 PolarHBondContact O-SG 2.89Å; A80-C83 PolarHBondContact O-N 2.73Å; C83-K85 VanDerWaalsContact C-N 3.32Å; C83-K85 PolarHBondContact O-N 2.81Å; C83-K86 PolarHBondContact O-N 2.9Å; C83-L87 WeakPolarHBondContact O-CB 3.15Å; C83-L87 WeakPolarHBondContact O-CG 3.18Å; C83-L87 PolarHBondContact O-N 3.47Å
84A98.8Very high98.5Very high0 Ų071.7 Ų71.70%035%0.353CS..Hα-helixtrans-61-41.4176.100000111.7F51 A80 K81 L87 E88 L89 Y93 V114F51-A84 HydrophobicContact CZ-CB 4.4Å; A80-A84 VanDerWaalsContact O-CB 3.29Å; A80-A84 WeakPolarHBondContact O-CB 3.42Å; A80-A84 PolarHBondContact O-N 3.24Å; K81-A84 PolarHBondContact O-N 3.04Å; A84-L87 CarbonylContact O-C 3.54Å; A84-L87 PolarHBondContact O-N 3.25Å; A84-E88 PolarHBondContact O-N 3.27Å; A84-L89 HydrophobicContact CB-CB 4.25Å; A84-L89 HydrophobicContact CB-CD1 4.07Å; A84-L89 WeakPolarHBondContact O-CB 3.43Å; A84-L89 PolarHBondContact O-N 3.04Å; A84-Y93 HydrophobicContact CB-CD1 3.69Å; A84-Y93 HydrophobicContact CB-CD2 4.39Å; A84-Y93 HydrophobicContact CB-CE1 3.53Å; A84-Y93 HydrophobicContact CB-CE2 4.26Å; A84-Y93 HydrophobicContact CB-CG 4.12Å; A84-V114 HydrophobicContact CB-CG1 4.25Å
85K98.3Very high98.5Very high148 Ų14872.9 Ų72.964%0.64335%0.351SS*.Hα-helixtrans-62.7-45.1173.8-176.5-179.1177-175.50112K81 E82 C83 L87 E88K81-K85 PolarHBondContact O-N 3.21Å; E82-K85 PolarHBondContact O-N 3.39Å; C83-K85 VanDerWaalsContact C-N 3.32Å; C83-K85 PolarHBondContact O-N 2.81Å; K85-L87 VanDerWaalsContact C-N 3.26Å; K85-L87 PolarHBondContact O-N 3.49Å; K85-E88 PolarHBondContact O-N 3.16Å; K85-E88 VanDerWaalsContact O-N 3.13Å
86K98.2Very high98.5Very high144 Ų14471.3 Ų71.363%0.62635%0.347SS*.Hα-helixtrans-62-32.8177.3-178.5179.9176.7-175.60112.6I31 E82 C83 E88I31-K86 PolarHBondContact O-NZ 3.13Å; E82-K86 WeakPolarHBondContact O-CB 3.31Å; E82-K86 PolarHBondContact O-N 3.24Å; C83-K86 PolarHBondContact O-N 2.9Å; K86-E88 VanDerWaalsContact C-N 3.29Å
87L98.5Very high98.5Very high47 Ų4774.1 Ų74.125%0.24636%0.361CS..THydrogen-bonded Turntrans-92.318176.9-64.6175.8000113.2I31 V49 F51 C83 A84 K85 L89I31-L87 HydrophobicContact CD1-CD1 3.87Å; I31-L87 HydrophobicContact CG1-CD1 4.38Å; I31-L87 HydrophobicContact CG2-CD1 4.33Å; V49-L87 HydrophobicContact CG1-CB 4.29Å; V49-L87 HydrophobicContact CG1-CD1 3.87Å; F51-L87 HydrophobicContact CD1-CD1 3.66Å; F51-L87 HydrophobicContact CE1-CD1 3.8Å; F51-L87 HydrophobicContact CG-CD1 4.38Å; C83-L87 WeakPolarHBondContact O-CB 3.15Å; C83-L87 WeakPolarHBondContact O-CG 3.18Å; C83-L87 PolarHBondContact O-N 3.47Å; A84-L87 CarbonylContact O-C 3.54Å; A84-L87 PolarHBondContact O-N 3.25Å; K85-L87 VanDerWaalsContact C-N 3.26Å; K85-L87 PolarHBondContact O-N 3.49Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 2.93Å
88E98.2Very high98.4Very high158 Ų15872.4 Ų72.474%0.73835%0.353SS*.THydrogen-bonded Turntrans58.233.7171.6-53.8-174.614500114.7A84 K85 K86 L90A84-E88 PolarHBondContact O-N 3.27Å; K85-E88 PolarHBondContact O-N 3.16Å; K85-E88 VanDerWaalsContact O-N 3.13Å; K86-E88 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 3.02Å
89L98.4Very high98.4Very high13 Ų1369.5 Ų69.57%0.06834%0.338CS..  trans-77.658.5172.3-65.1-176.2000112.3V49 F51 A84 L87 G92 Y93 V114 G117V49-L89 HydrophobicContact CB-CD1 4.11Å; V49-L89 HydrophobicContact CB-CD2 3.81Å; V49-L89 HydrophobicContact CB-CG 4.3Å; V49-L89 HydrophobicContact CG1-CD1 3.85Å; V49-L89 HydrophobicContact CG1-CD2 4.31Å; V49-L89 HydrophobicContact CG1-CG 4.26Å; V49-L89 HydrophobicContact CG2-CD2 3.7Å; V49-L89 HydrophobicContact CG2-CG 4.4Å; F51-L89 HydrophobicContact CE1-CD1 4.49Å; A84-L89 HydrophobicContact CB-CB 4.25Å; A84-L89 HydrophobicContact CB-CD1 4.07Å; A84-L89 WeakPolarHBondContact O-CB 3.43Å; A84-L89 PolarHBondContact O-N 3.04Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 2.93Å; L89-G92 PolarHBondContact O-N 2.76Å; L89-Y93 HydrophobicContact CB-CD1 3.96Å; L89-Y93 HydrophobicContact CD1-CG 4.46Å; L89-V114 HydrophobicContact CD1-CG1 4.37Å; L89-G117 VanDerWaalsContact CD2-N 3.3Å
90L95.8Very high98.2Very high139 Ų13969.8 Ų69.873%0.72834%0.342SS*.THydrogen-bonded Turntrans-72.2-31.4-172.1-55.8-178.2000113.5E88 G92E88-L90 PolarHBondContact O-N 3.02Å; L90-G92 PolarHBondContact O-N 2.75Å
91E97.9Very high98.1Very high198 Ų19876.8 Ų76.893%0.92537%0.369SS*.THydrogen-bonded Turntrans-82.12.6179.2-61.6-63.711800113.3
92G98.4Very high98Very high39 Ų3981.8 Ų81.840%0.40239%0.393SS..  trans107.4170179.200000114.7L89 L90L89-G92 PolarHBondContact O-N 2.76Å; L90-G92 PolarHBondContact O-N 2.75Å
93Y98.9Very high97.9Very high87 Ų8778.6 Ų78.634%0.34139%0.385SS..EExtended strand (participates in β ladder)trans-158.4166.9-175.752.3-93.1000110.5K81 A84 L89 L95 V114 L115K81-Y93 WeakPolarHBondContact CG-OH 3.44Å; A84-Y93 HydrophobicContact CB-CD1 3.69Å; A84-Y93 HydrophobicContact CB-CD2 4.39Å; A84-Y93 HydrophobicContact CB-CE1 3.53Å; A84-Y93 HydrophobicContact CB-CE2 4.26Å; A84-Y93 HydrophobicContact CB-CG 4.12Å; L89-Y93 HydrophobicContact CB-CD1 3.96Å; L89-Y93 HydrophobicContact CD1-CG 4.46Å; Y93-L95 HydrophobicContact CD2-CD2 4Å; Y93-L95 HydrophobicContact CD2-CG 4.4Å; Y93-L95 HydrophobicContact CE2-CD2 4.03Å; Y93-L95 HydrophobicContact CE2-CG 4.3Å; Y93-V114 HydrophobicContact CD2-CG1 3.99Å; Y93-V114 HydrophobicContact CG-CG1 4.29Å; Y93-L115 CarbonylContact C-O 3.54Å; Y93-L115 WeakPolarHBondContact CA-O 3.44Å; Y93-L115 VanDerWaalsContact CB-O 3.27Å; Y93-L115 WeakPolarHBondContact CB-O 3.37Å
94R98.9Very high97.8Very high60 Ų6080.4 Ų80.423%0.22640%0.397CS..EExtended strand (participates in β ladder)trans-116.7137.4172.5-178.4176.2-671650110.3V96 V114 L115 L120 K121R94-V96 HydrophobicContact CG-CG2 3.87Å; R94-V114 WeakPolarHBondContact O-CA 3.47Å; R94-L115 PolarHBondContact N-O 3.4Å; R94-L115 PolarHBondContact O-N 3.34Å; R94-L120 HydrophobicContact CB-CD1 3.17Å; R94-L120 HydrophobicContact CG-CD1 4.33Å; R94-K121 PolarHBondContact NH1-O 3.41Å; R94-K121 PolarHBondContact NH2-O 3.46Å
95L98.9Very high97.8Very high61 Ų6180.5 Ų80.532%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-95.8135.8166.6-55.1-175.2000109.3I77 A80 Y93 V112 H113 V114I77-L95 HydrophobicContact CD1-CD1 4.04Å; I77-L95 HydrophobicContact CG2-CD1 4.03Å; A80-L95 HydrophobicContact CB-CD1 4.47Å; A80-L95 HydrophobicContact CB-CD2 3.86Å; Y93-L95 HydrophobicContact CD2-CD2 4Å; Y93-L95 HydrophobicContact CD2-CG 4.4Å; Y93-L95 HydrophobicContact CE2-CD2 4.03Å; Y93-L95 HydrophobicContact CE2-CG 4.3Å; L95-V112 HydrophobicContact CB-CG1 4.08Å; L95-V112 HydrophobicContact CD2-CG1 4.07Å; L95-V112 HydrophobicContact CG-CG1 4.45Å; L95-H113 VanDerWaalsContact CA-O 3.26Å; L95-H113 WeakPolarHBondContact CA-O 3.04Å; L95-V114 HydrophobicContact CD2-CB 4.16Å; L95-V114 HydrophobicContact CD2-CG1 3.95Å; L95-V114 HydrophobicContact CD2-CG2 3.61Å
96V98.7Very high97.6Very high36 Ų3674.3 Ų74.322%0.21837%0.373CS..EExtended strand (participates in β ladder)trans-133.7131.4174.9-174.50000109.3R94 N98 H113 L115R94-V96 HydrophobicContact CG-CG2 3.87Å; V96-N98 WeakPolarHBondContact CG1-OD1 3.07Å; V96-H113 HydrophobicContact CB-CB 4.14Å; V96-H113 PolarHBondContact N-O 2.95Å; V96-H113 PolarHBondContact O-N 3.02Å; V96-L115 HydrophobicContact CG2-CD1 4.05Å
97I98.5Very high97.5Very high61 Ų6169.3 Ų69.331%0.31335%0.353SS..  trans-119.9118.1166.8-58.7173.7000106.6L62 V112L62-I97 HydrophobicContact CB-CG2 4.34Å; L62-I97 HydrophobicContact CD2-CG2 4.04Å; I97-V112 HydrophobicContact CD1-CG2 3.97Å; I97-V112 HydrophobicContact CG1-CB 4.43Å; I97-V112 HydrophobicContact CG1-CG1 4.44Å; I97-V112 HydrophobicContact CG1-CG2 3.97Å
98N98.1Very high97.4Very high34 Ų3468.4 Ų68.418%0.18235%0.347CS..  trans-91.8130.5179.3-71.3-17000109.4V96 G103 Q105V96-N98 WeakPolarHBondContact CG1-OD1 3.07Å; N98-G103 WeakPolarHBondContact CB-O 3.4Å; N98-G103 PolarHBondContact ND2-O 2.96Å; N98-G103 PolarHBondContact OD1-O 3.07Å; N98-G103 VanDerWaalsContact OD1-O 3.04Å; N98-Q105 HydrophobicContact CB-CB 4.11Å
99N97.7Very high97.3Very high44 Ų4461 Ų6124%0.23531%0.313CS..  trans-124.2119.6178.1-171.368.5000110.7L62 E63 G103L62-N99 HydrophobicContact CB-CB 4.49Å; L62-N99 PolarHBondContact N-OD1 2.89Å; E63-N99 PolarHBondContact N-OD1 3.04Å; E63-N99 PolarHBondContact OE2-ND2 3.35Å; N99-G103 PolarHBondContact O-N 3.26Å
100G96Very high97.3Very high14 Ų1460.6 Ų60.614%0.14431%0.31CS..THydrogen-bonded Turntrans65.2-169.4177.200000114.8G103 C104 Q105G100-G103 PolarHBondContact O-N 3.35Å; G100-C104 PolarHBondContact O-N 3.44Å; G100-Q105 WeakPolarHBondContact O-CB 3.42Å; G100-Q105 PolarHBondContact O-N 3.14Å
101R95.9Very high97.4Very high148 Ų14854.1 Ų54.156%0.55828%0.276SS*.THydrogen-bonded Turntrans-62.5-46.5-171.9-176.9-179.5-74.8-175.51.3113.3G103 C104R101-G103 VanDerWaalsContact C-N 3.31Å; R101-G103 PolarHBondContact O-N 2.81Å; R101-C104 PolarHBondContact O-N 3.18Å
102H96.2Very high97.5Very high191 Ų19144.7 Ų44.788%0.88423%0.232SC*.THydrogen-bonded Turntrans-73.5-23.4-179.6-75.9-75.5000113.2C104H102-C104 PolarHBondContact O-N 3.4Å
103G97.4Very high97.5Very high27 Ų2743.5 Ų43.528%0.27822%0.216SC..THydrogen-bonded Turntrans-78.90.6170.500000113.7N98 N99 G100 R101 Q105N98-G103 WeakPolarHBondContact CB-O 3.4Å; N98-G103 PolarHBondContact ND2-O 2.96Å; N98-G103 PolarHBondContact OD1-O 3.07Å; N98-G103 VanDerWaalsContact OD1-O 3.04Å; N99-G103 PolarHBondContact O-N 3.26Å; G100-G103 PolarHBondContact O-N 3.35Å; R101-G103 VanDerWaalsContact C-N 3.31Å; R101-G103 PolarHBondContact O-N 2.81Å; G103-Q105 VanDerWaalsContact C-N 3.3Å; G103-Q105 PolarHBondContact O-N 3.22Å
104C97Very high97.5Very high39 Ų3939.3 Ų39.326%0.26420%0.2SC..THydrogen-bonded Turntrans58.235.8-172.3-630000114A7 G100 R101 H102 S106A7-C104 HydrophobicContact CB-CB 4.5Å; G100-C104 PolarHBondContact O-N 3.44Å; R101-C104 PolarHBondContact O-N 3.18Å; H102-C104 PolarHBondContact O-N 3.4Å; C104-S106 PolarHBondContact O-N 3.5Å
105Q97.4Very high97.5Very high2 Ų237.5 Ų37.51%0.00919%0.194CC..  trans-71.2110.3174-170.4-178.31.600110.3A7 D60 N98 G100 G103 I107A7-Q105 WeakPolarHBondContact CA-O 3.44Å; A7-Q105 WeakPolarHBondContact CB-O 3.39Å; D60-Q105 PolarHBondContact O-NE2 3.41Å; N98-Q105 HydrophobicContact CB-CB 4.11Å; G100-Q105 WeakPolarHBondContact O-CB 3.42Å; G100-Q105 PolarHBondContact O-N 3.14Å; G103-Q105 VanDerWaalsContact C-N 3.3Å; G103-Q105 PolarHBondContact O-N 3.22Å; Q105-I107 WeakPolarHBondContact CG-O 3.49Å; Q105-I107 PolarHBondContact NE2-O 3.5Å
106S94.3Very high97.5Very high19 Ų1934.6 Ų34.613%0.13318%0.179CC..  trans-92.5-24.1-177.759.80000114.1E3 A10 C104E3-S106 WeakPolarHBondContact OE2-CB 2.93Å; E3-S106 PolarHBondContact OE2-OG 3.3Å; A10-S106 WeakPolarHBondContact CB-O 3.43Å; C104-S106 PolarHBondContact O-N 3.5Å
107I95.7Very high97.5Very high38 Ų3835.4 Ų35.420%0.19520%0.195CC..SBendtrans-126.2125.8179.3-63.5165.6000108.9I17 F18 Q105 H109 H111I17-I107 HydrophobicContact CG2-CD1 3.46Å; I17-I107 VanDerWaalsContact CG2-CD1 3.46Å; I17-I107 HydrophobicContact CG2-CG1 4.1Å; I17-I107 HydrophobicContact CG2-CG2 4.23Å; F18-I107 HydrophobicContact CD1-CD1 4.14Å; F18-I107 HydrophobicContact CD2-CB 4.47Å; F18-I107 HydrophobicContact CD2-CG2 3.71Å; F18-I107 HydrophobicContact CE1-CD1 3.36Å; F18-I107 HydrophobicContact CE1-CG2 4.48Å; F18-I107 HydrophobicContact CE2-CB 3.88Å; F18-I107 HydrophobicContact CE2-CD1 4.02Å; F18-I107 HydrophobicContact CE2-CG2 3.63Å; F18-I107 HydrophobicContact CG-CG2 4.14Å; F18-I107 HydrophobicContact CZ-CB 4.02Å; F18-I107 HydrophobicContact CZ-CD1 3.27Å; F18-I107 HydrophobicContact CZ-CG1 4.22Å; F18-I107 HydrophobicContact CZ-CG2 4.05Å; Q105-I107 WeakPolarHBondContact CG-O 3.49Å; Q105-I107 PolarHBondContact NE2-O 3.5Å; I107-H109 HydrophobicContact CG2-CB 4.15Å; I107-H109 PolarHBondContact O-N 3.04Å; I107-H111 PolarHBondContact O-CE1 3.44Å
108F96.5Very high97.4Very high29 Ų2937.9 Ų37.913%0.12720%0.2CC..SBendtrans-81.965.9177.7-79.8-104.9000110.7A10 K11 P12 D60 M61A10-F108 VanDerWaalsContact C-CE2 3.46Å; A10-F108 HydrophobicContact CB-CD2 4.04Å; A10-F108 HydrophobicContact CB-CE2 3.64Å; K11-F108 WeakPolarHBondContact O-CD2 3.42Å; P12-F108 HydrophobicContact CB-CB 4.49Å; P12-F108 HydrophobicContact CB-CD1 3.97Å; P12-F108 HydrophobicContact CB-CG 4.36Å; P12-F108 HydrophobicContact CG-CD1 3.49Å; P12-F108 VanDerWaalsContact CG-CD1 3.49Å; P12-F108 HydrophobicContact CG-CE1 3.58Å; P12-F108 HydrophobicContact CG-CG 4.21Å; P12-F108 HydrophobicContact CG-CZ 4.4Å; D60-F108 HydrophobicContact CB-CB 4.41Å; D60-F108 CarbonylContact O-C 3.11Å; D60-F108 WeakPolarHBondContact O-CA 3Å; M61-F108 HydrophobicContact CE-CE1 4.31Å; M61-F108 HydrophobicContact CG-CD1 3.65Å; M61-F108 HydrophobicContact CG-CE1 3.85Å; M61-F108 HydrophobicContact SD-CD1 3.87Å; M61-F108 HydrophobicContact SD-CE1 3.43Å; M61-F108 WeakPolarHBondContact SD-CE1 3.18Å; M61-F108 HydrophobicContact SD-CZ 4.47Å
109H97.3Very high97.5Very high3 Ų344.4 Ų44.41%0.01423%0.23CC..SBendtrans-157.2121.1169.3-175.2131.5000105.5S16 F18 P55 L59 D60 I107 H111S16-H109 PolarHBondContact OG-ND1 3.18Å; F18-H109 HydrophobicContact CB-CB 4.38Å; F18-H109 HydrophobicContact CD2-CB 3.81Å; P55-H109 PolarHBondContact O-CE1 3.36Å; P55-H109 PolarHBondContact O-NE2 3.28Å; L59-H109 CarbonylContact O-C 3.46Å; L59-H109 VanDerWaalsContact O-CA 3.3Å; L59-H109 WeakPolarHBondContact O-CA 3.38Å; D60-H109 PolarHBondContact O-N 3.31Å; I107-H109 HydrophobicContact CG2-CB 4.15Å; I107-H109 PolarHBondContact O-N 3.04Å; H109-H111 PolarHBondContact O-N 2.55Å; H109-H111 PolarHBondContact O-ND1 2.92Å
110V97.8Very high97.5Very high3 Ų343.5 Ų43.52%0.01823%0.225CC..  trans-52.7131.5-174.7167.30000111.1P55 L59 M61 L76P55-V110 WeakPolarHBondContact CD-O 3.47Å; P55-V110 HydrophobicContact CG-CB 4.39Å; L59-V110 HydrophobicContact CB-CG2 4.29Å; L59-V110 HydrophobicContact CD2-CB 4.31Å; L59-V110 HydrophobicContact CD2-CG2 3.78Å; L59-V110 HydrophobicContact CG-CB 4.4Å; L59-V110 HydrophobicContact CG-CG2 3.7Å; L59-V110 PolarHBondContact O-N 2.69Å; M61-V110 VanDerWaalsContact C-CG2 3.44Å; L76-V110 HydrophobicContact CD1-CG1 4.16Å
111H98.4Very high97.6Very high4 Ų451.1 Ų51.12%0.01925%0.254CS..  trans-147.3138.1-179.551.1-73.5000110F18 V53 V54 I107 H109 H113F18-H111 HydrophobicContact CD2-CB 4.48Å; F18-H111 HydrophobicContact CE2-CB 3.79Å; F18-H111 AromaticContact CE2-CG 3.62Å; F18-H111 AromaticContact CE2-ND1 3.56Å; V53-H111 WeakPolarHBondContact O-CA 3.04Å; V54-H111 HydrophobicContact CG1-CB 3.63Å; I107-H111 PolarHBondContact O-CE1 3.44Å; H109-H111 PolarHBondContact O-N 2.55Å; H109-H111 PolarHBondContact O-ND1 2.92Å; H111-H113 AromaticContact CD2-CD2 3.64Å; H111-H113 AromaticContact CD2-CE1 3.8Å; H111-H113 AromaticContact CD2-NE2 3.16Å; H111-H113 PolarHBondContact CD2-NE2 3.14Å; H111-H113 AromaticContact NE2-NE2 3.27Å; H111-H113 PolarHBondContact NE2-NE2 3.32Å
112V98.8Very high97.7Very high0 Ų054 Ų540%027%0.265CS..EExtended strand (participates in β ladder)trans-97.6110.7172.3-172.50000107.3L52 V53 L76 I77 A80 L95 I97L52-V112 WeakPolarHBondContact CA-O 3.43Å; V53-V112 HydrophobicContact CB-CB 4.33Å; V53-V112 PolarHBondContact N-O 3.16Å; V53-V112 PolarHBondContact O-N 3.38Å; L76-V112 HydrophobicContact CB-CG2 3.95Å; L76-V112 HydrophobicContact CD1-CG2 4.4Å; I77-V112 HydrophobicContact CD1-CG1 4.36Å; I77-V112 HydrophobicContact CD1-CG2 4.33Å; A80-V112 HydrophobicContact CB-CG1 4.41Å; L95-V112 HydrophobicContact CB-CG1 4.08Å; L95-V112 HydrophobicContact CD2-CG1 4.07Å; L95-V112 HydrophobicContact CG-CG1 4.45Å; I97-V112 HydrophobicContact CD1-CG2 3.97Å; I97-V112 HydrophobicContact CG1-CB 4.43Å; I97-V112 HydrophobicContact CG1-CG1 4.44Å; I97-V112 HydrophobicContact CG1-CG2 3.97Å
113H98.8Very high97.7Very high13 Ų1349.6 Ų49.66%0.0625%0.253CS..EExtended strand (participates in β ladder)trans-71.3138166.6-64.6-96.3000109.5D42 H50 L52 L95 V96 H111 L115D42-H113 IonicContact OD2-CE1 2.73Å; D42-H113 IonicContact OD2-ND1 3.93Å; H50-H113 AromaticContact CE1-ND1 3.47Å; H50-H113 PolarHBondContact CE1-ND1 2.86Å; H50-H113 AromaticContact NE2-CE1 3.97Å; H50-H113 AromaticContact NE2-CG 3.7Å; H50-H113 AromaticContact NE2-ND1 2.9Å; H50-H113 PolarHBondContact NE2-ND1 2.8Å; L52-H113 HydrophobicContact CD2-CB 4.29Å; L52-H113 WeakPolarHBondContact CD2-ND1 3.35Å; L95-H113 VanDerWaalsContact CA-O 3.26Å; L95-H113 WeakPolarHBondContact CA-O 3.04Å; V96-H113 HydrophobicContact CB-CB 4.14Å; V96-H113 PolarHBondContact N-O 2.95Å; V96-H113 PolarHBondContact O-N 3.02Å; H111-H113 AromaticContact CD2-CD2 3.64Å; H111-H113 AromaticContact CD2-CE1 3.8Å; H111-H113 AromaticContact CD2-NE2 3.16Å; H111-H113 PolarHBondContact CD2-NE2 3.14Å; H111-H113 AromaticContact NE2-NE2 3.27Å; H111-H113 PolarHBondContact NE2-NE2 3.32Å; H113-L115 HydrophobicContact CB-CD1 3.77Å
114V98.9Very high97.6Very high0 Ų051.4 Ų51.40%026%0.26CS..EExtended strand (participates in β ladder)trans-122.9114.9170.7-169.60000108.4H50 F51 V53 A80 A84 L89 Y93 R94 L95H50-V114 WeakPolarHBondContact CA-O 3.41Å; F51-V114 HydrophobicContact CD1-CB 3.85Å; F51-V114 HydrophobicContact CD1-CG1 4.28Å; F51-V114 HydrophobicContact CD2-CB 4.14Å; F51-V114 HydrophobicContact CD2-CG2 3.98Å; F51-V114 HydrophobicContact CE1-CB 3.45Å; F51-V114 VanDerWaalsContact CE1-CB 3.45Å; F51-V114 HydrophobicContact CE1-CG1 3.46Å; F51-V114 VanDerWaalsContact CE1-CG1 3.46Å; F51-V114 HydrophobicContact CE1-CG2 4.05Å; F51-V114 HydrophobicContact CE2-CB 3.77Å; F51-V114 HydrophobicContact CE2-CG1 4.34Å; F51-V114 HydrophobicContact CE2-CG2 3.4Å; F51-V114 VanDerWaalsContact CE2-CG2 3.4Å; F51-V114 HydrophobicContact CG-CB 4.18Å; F51-V114 HydrophobicContact CZ-CB 3.4Å; F51-V114 HydrophobicContact CZ-CG1 3.5Å; F51-V114 HydrophobicContact CZ-CG2 3.44Å; F51-V114 VanDerWaalsContact CZ-CG2 3.44Å; F51-V114 PolarHBondContact N-O 3.43Å; F51-V114 VanDerWaalsContact N-O 3.12Å; F51-V114 PolarHBondContact O-N 2.87Å; V53-V114 HydrophobicContact CG2-CG2 4.4Å; A80-V114 HydrophobicContact CB-CG2 3.71Å; A84-V114 HydrophobicContact CB-CG1 4.25Å; L89-V114 HydrophobicContact CD1-CG1 4.37Å; Y93-V114 HydrophobicContact CD2-CG1 3.99Å; Y93-V114 HydrophobicContact CG-CG1 4.29Å; R94-V114 WeakPolarHBondContact O-CA 3.47Å; L95-V114 HydrophobicContact CD2-CB 4.16Å; L95-V114 HydrophobicContact CD2-CG1 3.95Å; L95-V114 HydrophobicContact CD2-CG2 3.61Å
115L98.9Very high97.1Very high21 Ų2156.1 Ų56.111%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-117.1131-177.5-56.196.8000110.4Q46 A47 V49 Y93 R94 V96 H113 L120Q46-L115 HydrophobicContact CB-CD2 3.9Å; A47-L115 HydrophobicContact CB-CB 4.1Å; A47-L115 HydrophobicContact CB-CD2 4.46Å; V49-L115 WeakPolarHBondContact O-CA 3.27Å; Y93-L115 CarbonylContact C-O 3.54Å; Y93-L115 WeakPolarHBondContact CA-O 3.44Å; Y93-L115 VanDerWaalsContact CB-O 3.27Å; Y93-L115 WeakPolarHBondContact CB-O 3.37Å; R94-L115 PolarHBondContact N-O 3.4Å; R94-L115 PolarHBondContact O-N 3.34Å; V96-L115 HydrophobicContact CG2-CD1 4.05Å; H113-L115 HydrophobicContact CB-CD1 3.77Å; L115-L120 HydrophobicContact CB-CD1 4.32Å; L115-L120 HydrophobicContact CB-CD2 4.26Å
116G98.7Very high97.1Very high0 Ų058.9 Ų58.90%033%0.331CS..EExtended strand (participates in β ladder)trans-164.6-172.9178.300000113.8A47 P48 V49 R118A47-G116 WeakPolarHBondContact CB-O 3.48Å; P48-G116 WeakPolarHBondContact CD-O 3.42Å; V49-G116 PolarHBondContact N-O 3.21Å; V49-G116 VanDerWaalsContact N-O 3.09Å; V49-G116 PolarHBondContact O-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.29Å
117G98.3Very high97.2Very high53 Ų5360.9 Ų60.955%0.54634%0.341SS..SBendtrans81.57.3-175.900000113.9L89L89-G117 VanDerWaalsContact CD2-N 3.3Å
118R98.4Very high97.3Very high114 Ų11462.2 Ų62.243%0.4335%0.35SS..SBendtrans-154.716117065.5173.4-178.281-3110.4Q46 A47 P48 G116 L120Q46-R118 PolarHBondContact O-NE 3.24Å; Q46-R118 PolarHBondContact O-NH2 3.46Å; A47-R118 HydrophobicContact CB-CG 4.27Å; P48-R118 HydrophobicContact CG-CB 4.39Å; G116-R118 VanDerWaalsContact C-N 3.29Å; R118-L120 HydrophobicContact CG-CD2 4.47Å; R118-L120 PolarHBondContact O-N 2.91Å
119Q98.5Very high97.4Very high171 Ų17164.2 Ų64.280%0.79936%0.363SS*.PPolyproline II helixtrans-60.9125167.8-177.2616000110.3
120L98.5Very high97.4Very high25 Ų2568 Ų6813%0.13138%0.384CS..PPolyproline II helixtrans-90.1141.9173.6-61.2175.4000109.8R94 L115 R118R94-L120 HydrophobicContact CB-CD1 3.17Å; R94-L120 HydrophobicContact CG-CD1 4.33Å; L115-L120 HydrophobicContact CB-CD1 4.32Å; L115-L120 HydrophobicContact CB-CD2 4.26Å; R118-L120 HydrophobicContact CG-CD2 4.47Å; R118-L120 PolarHBondContact O-N 2.91Å
121K98.2Very high97.3Very high174 Ų17472.3 Ų72.376%0.75741%0.409SS*.PPolyproline II helixtrans-86.5167.5-176.6-64-173.4-179.9-178.80111.9R94R94-K121 PolarHBondContact NH1-O 3.41Å; R94-K121 PolarHBondContact NH2-O 3.46Å
122W97.1Very high97.3Very high207 Ų20777.2 Ų77.278%0.78444%0.437SS*.SBendtrans-127.1136.5171.5-168.1-104.2000109.4P124W122-P124 HydrophobicContact CE3-CB 4.11Å; W122-P124 HydrophobicContact CE3-CG 4.01Å; W122-P124 HydrophobicContact CH2-CG 3.73Å; W122-P124 HydrophobicContact CZ3-CB 3.8Å; W122-P124 VanDerWaalsContact CZ3-CD 3.42Å; W122-P124 HydrophobicContact CZ3-CG 3.41Å; W122-P124 VanDerWaalsContact CZ3-CG 3.41Å
123P97.5Very high97.2Very high100 Ų10083.2 Ų83.265%0.64947%0.47SS*.SBendcis-67.6168.71.830.5-36.7000114.2G125P123-G125 VanDerWaalsContact C-N 3.33Å; P123-G125 PolarHBondContact O-N 3.18Å
124P94.8Very high97Very high64 Ų6489 Ų8942%0.41651%0.505SS..  trans-94.650.3-173.240.8-36.2000112.7W122W122-P124 HydrophobicContact CE3-CB 4.11Å; W122-P124 HydrophobicContact CE3-CG 4.01Å; W122-P124 HydrophobicContact CH2-CG 3.73Å; W122-P124 HydrophobicContact CZ3-CB 3.8Å; W122-P124 VanDerWaalsContact CZ3-CD 3.42Å; W122-P124 HydrophobicContact CZ3-CG 3.41Å; W122-P124 VanDerWaalsContact CZ3-CG 3.41Å
125G86.5Confident96.8Very high139 Ų13997.1 Ų97.1100%1.43355%0.55SS**  trans-116.50163.300000109.3P123P123-G125 VanDerWaalsContact C-N 3.33Å; P123-G125 PolarHBondContact O-N 3.18Å

Retrieved 125 of 125 residues in 23 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).