A0A087XRQ0_POEFO Loading...

Dipeptidyl-peptidase 4

AlphaFold DB , UniProt , Accession A0A087XRQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 744 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
1M47.2Very low61.1Low244 Ų244110.3 Ų110.3100%1.20264%0.635SS**  059.30-73.2177.2-11100110.3
2G53Low61.7Low49 Ų49110.2 Ų110.251%0.50563%0.63SS.*  trans-119.32.7-156.200000117.4
3T57.6Low62.3Low112 Ų112104.6 Ų104.669%0.68761%0.612SS**SBendtrans-117-39.4-172.2-26.10000112.2K6 V7T3-K6 PolarHBondContact O-N 3.26Å; T3-V7 WeakPolarHBondContact O-CG2 3.45Å; T3-V7 PolarHBondContact O-N 3.48Å
4I62.8Low62.9Low137 Ų137104.6 Ų104.670%0.70361%0.613SS**Hα-helixtrans-70.4-39.3-179.8-64.7172.2000111.6K6 V7 L8I4-K6 VanDerWaalsContact C-N 3.33Å; I4-K6 PolarHBondContact O-N 3.34Å; I4-V7 PolarHBondContact O-N 2.96Å; I4-L8 HydrophobicContact CG2-CD1 3.85Å; I4-L8 WeakPolarHBondContact O-CB 3.41Å; I4-L8 PolarHBondContact O-N 3.41Å
5A61.6Low63.2Low54 Ų54101 Ų10145%0.44660%0.6SS.*Hα-helixtrans-66.2-33.817900000112.9L9A5-L9 WeakPolarHBondContact O-CB 3.4Å; A5-L9 PolarHBondContact O-N 2.95Å
6K60.2Low63.8Low161 Ų16199.5 Ų99.570%0.759%0.592SS**Hα-helixtrans-72.6-36.9177-71.1-173.9177.6-176.40112.1T3 I4 G10T3-K6 PolarHBondContact O-N 3.26Å; I4-K6 VanDerWaalsContact C-N 3.33Å; I4-K6 PolarHBondContact O-N 3.34Å; K6-G10 PolarHBondContact O-N 2.99Å
7V67.8Low64.2Low94 Ų9498.5 Ų98.557%0.5759%0.586SS**Hα-helixtrans-67.5-42.2173.5175.40000110.4T3 I4 L9 G10 V11T3-V7 WeakPolarHBondContact O-CG2 3.45Å; T3-V7 PolarHBondContact O-N 3.48Å; I4-V7 PolarHBondContact O-N 2.96Å; V7-L9 PolarHBondContact O-N 3.45Å; V7-G10 PolarHBondContact O-N 3.28Å; V7-V11 HydrophobicContact CG1-CG2 4.32Å; V7-V11 WeakPolarHBondContact O-CB 3.26Å; V7-V11 VanDerWaalsContact O-CG2 3.26Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 2.87Å
8L62.4Low64.3Low100 Ų10095.5 Ų95.552%0.52457%0.574SS.*Hα-helixtrans-62.3-41.5175.3-88.3155.8000112.7I4 V11 L12I4-L8 HydrophobicContact CG2-CD1 3.85Å; I4-L8 WeakPolarHBondContact O-CB 3.41Å; I4-L8 PolarHBondContact O-N 3.41Å; L8-V11 PolarHBondContact O-N 2.87Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CD1 3.5Å; L8-L12 PolarHBondContact O-N 3.49Å
9L64.9Low64.6Low129 Ų12995 Ų9568%0.67557%0.571SS**Hα-helixtrans-66.7-37.8174.7-94.2150.3000112.7A5 V7 G13A5-L9 WeakPolarHBondContact O-CB 3.4Å; A5-L9 PolarHBondContact O-N 2.95Å; V7-L9 PolarHBondContact O-N 3.45Å; L9-G13 PolarHBondContact O-N 2.87Å
10G65.1Low64.7Low40 Ų4096.1 Ų96.141%0.41257%0.573SS.*Hα-helixtrans-65.7-42.6173.900000112.6K6 V7 G13 V14K6-G10 PolarHBondContact O-N 2.99Å; V7-G10 PolarHBondContact O-N 3.28Å; G10-G13 PolarHBondContact O-N 3.33Å; G10-V14 WeakPolarHBondContact O-CG2 3.33Å; G10-V14 PolarHBondContact O-N 3.48Å
11V69Low64.9Low93 Ų9396.4 Ų96.456%0.56457%0.571SS**Hα-helixtrans-68.2-39.3176.6174.20000111.2V7 L8 V14 A15V7-V11 HydrophobicContact CG1-CG2 4.32Å; V7-V11 WeakPolarHBondContact O-CB 3.26Å; V7-V11 VanDerWaalsContact O-CG2 3.26Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 2.87Å; L8-V11 PolarHBondContact O-N 2.87Å; V11-V14 PolarHBondContact O-N 3.39Å; V11-A15 VanDerWaalsContact O-CB 3.3Å; V11-A15 WeakPolarHBondContact O-CB 3.25Å; V11-A15 PolarHBondContact O-N 2.84Å
12L68.4Low65.6Low109 Ų10988.6 Ų88.657%0.57154%0.537SS*.Hα-helixtrans-64.6-40.6172.4-107.3111.7000111.9L8 A15 V16L8-L12 WeakPolarHBondContact O-CB 3.5Å; L8-L12 WeakPolarHBondContact O-CD1 3.5Å; L8-L12 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 3.33Å; L12-V16 WeakPolarHBondContact O-CB 3.34Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.49Å
13G70.4Confident66.1Low38 Ų3889.6 Ų89.639%0.39253%0.533SS..Hα-helixtrans-61.7-45.2176.700000112.3L9 G10 V16 V17L9-G13 PolarHBondContact O-N 2.87Å; G10-G13 PolarHBondContact O-N 3.33Å; G13-V16 PolarHBondContact O-N 2.99Å; G13-V17 VanDerWaalsContact O-CG2 3.32Å; G13-V17 WeakPolarHBondContact O-CG2 3.05Å; G13-V17 PolarHBondContact O-N 2.91Å
14V69.6Low65.8Low105 Ų10587.3 Ų87.364%0.63652%0.52SS*.Hα-helixtrans-66.5-38.9175.9174.80000111.3G10 V11 V17 A18G10-V14 WeakPolarHBondContact O-CG2 3.33Å; G10-V14 PolarHBondContact O-N 3.48Å; V11-V14 PolarHBondContact O-N 3.39Å; V14-V17 PolarHBondContact O-N 2.86Å; V14-A18 WeakPolarHBondContact O-CB 3.32Å; V14-A18 PolarHBondContact O-N 2.96Å
15A68.2Low65.3Low50 Ų5084 Ų8441%0.41351%0.506SS..Hα-helixtrans-65.6-39.7176.200000112.2V11 L12 A18 V19V11-A15 VanDerWaalsContact O-CB 3.3Å; V11-A15 WeakPolarHBondContact O-CB 3.25Å; V11-A15 PolarHBondContact O-N 2.84Å; L12-A15 PolarHBondContact O-N 3.33Å; A15-A18 PolarHBondContact O-N 3.33Å; A15-V19 WeakPolarHBondContact O-CB 3.36Å; A15-V19 WeakPolarHBondContact O-CG2 3.46Å; A15-V19 PolarHBondContact O-N 2.98Å
16V73.4Confident64.7Low77 Ų7784.6 Ų84.647%0.46750%0.504SS..Hα-helixtrans-69.3-41177.5171.20000111.2L12 G13 V19 L20L12-V16 WeakPolarHBondContact O-CB 3.34Å; L12-V16 VanDerWaalsContact O-CG2 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.2Å; L12-V16 PolarHBondContact O-N 3.49Å; G13-V16 PolarHBondContact O-N 2.99Å; V16-V19 PolarHBondContact O-N 2.87Å; V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CB 3.3Å; V16-L20 WeakPolarHBondContact O-CG 3.03Å; V16-L20 PolarHBondContact O-N 3.32Å
17V69.4Low64.3Low82 Ų8282.2 Ų82.250%0.49750%0.498SS..Hα-helixtrans-66.9-40.2174.8173.20000111.1G13 V14 V19 L20 I21G13-V17 VanDerWaalsContact O-CG2 3.32Å; G13-V17 WeakPolarHBondContact O-CG2 3.05Å; G13-V17 PolarHBondContact O-N 2.91Å; V14-V17 PolarHBondContact O-N 2.86Å; V17-V19 VanDerWaalsContact C-N 3.35Å; V17-V19 PolarHBondContact O-N 2.83Å; V17-L20 PolarHBondContact O-N 3.46Å; V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.46Å; V17-I21 WeakPolarHBondContact O-CB 3.2Å; V17-I21 WeakPolarHBondContact O-CG1 3.4Å; V17-I21 PolarHBondContact O-N 3.49Å
18A65.5Low63.3Low45 Ų4586.2 Ų86.237%0.37251%0.508SS..Hα-helixtrans-62.6-41.5173.500000111.2V14 A15 I21 V22V14-A18 WeakPolarHBondContact O-CB 3.32Å; V14-A18 PolarHBondContact O-N 2.96Å; A15-A18 PolarHBondContact O-N 3.33Å; A18-I21 PolarHBondContact O-N 3.46Å; A18-V22 WeakPolarHBondContact O-CA 3.47Å; A18-V22 WeakPolarHBondContact O-CB 3.15Å; A18-V22 WeakPolarHBondContact O-CG2 3.34Å; A18-V22 PolarHBondContact O-N 2.56Å
19V70.2Confident62.4Low86 Ų8687.3 Ų87.352%0.52151%0.514SS..Hα-helixtrans-68.2-39.8175.8170.40000111.6A15 V16 V17 I21 V23A15-V19 WeakPolarHBondContact O-CB 3.36Å; A15-V19 WeakPolarHBondContact O-CG2 3.46Å; A15-V19 PolarHBondContact O-N 2.98Å; V16-V19 PolarHBondContact O-N 2.87Å; V17-V19 VanDerWaalsContact C-N 3.35Å; V17-V19 PolarHBondContact O-N 2.83Å; V19-I21 VanDerWaalsContact C-N 3.31Å; V19-I21 PolarHBondContact O-N 2.88Å; V19-V23 HydrophobicContact CG1-CG2 3.79Å; V19-V23 WeakPolarHBondContact O-CB 3.49Å; V19-V23 VanDerWaalsContact O-CG2 3.22Å; V19-V23 WeakPolarHBondContact O-CG2 3.22Å; V19-V23 PolarHBondContact O-N 3.41Å
20L67.4Low61Low117 Ų11788.7 Ų88.761%0.61351%0.514SS*.Hα-helixtrans-71.3-21.1178.2-76.2172.9000114V16 V17 P24V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CB 3.3Å; V16-L20 WeakPolarHBondContact O-CG 3.03Å; V16-L20 PolarHBondContact O-N 3.32Å; V17-L20 PolarHBondContact O-N 3.46Å; L20-P24 WeakPolarHBondContact O-CD 3.06Å; L20-P24 WeakPolarHBondContact O-CG 3.14Å
21I68Low59.8Low103 Ų10393.9 Ų93.953%0.52853%0.533SS..Hα-helixtrans-94-49.9173.1-64.5171.2000109.7V17 A18 V19 V23 P24 T25V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.46Å; V17-I21 WeakPolarHBondContact O-CB 3.2Å; V17-I21 WeakPolarHBondContact O-CG1 3.4Å; V17-I21 PolarHBondContact O-N 3.49Å; A18-I21 PolarHBondContact O-N 3.46Å; V19-I21 VanDerWaalsContact C-N 3.31Å; V19-I21 PolarHBondContact O-N 2.88Å; I21-V23 PolarHBondContact O-N 2.98Å; I21-P24 WeakPolarHBondContact O-CD 3.37Å; I21-T25 WeakPolarHBondContact O-CB 3.47Å; I21-T25 PolarHBondContact O-N 2.79Å; I21-T25 PolarHBondContact O-OG1 3.41Å
22V63.2Low58.4Low79 Ų7996.6 Ų96.648%0.47954%0.544SS..Hα-helixtrans-68.9-35.7-175.1177.40000111.4A18 T25 V26A18-V22 WeakPolarHBondContact O-CA 3.47Å; A18-V22 WeakPolarHBondContact O-CB 3.15Å; A18-V22 WeakPolarHBondContact O-CG2 3.34Å; A18-V22 PolarHBondContact O-N 2.56Å; V22-T25 PolarHBondContact O-N 3.34Å; V22-V26 HydrophobicContact CG1-CG2 3.71Å; V22-V26 WeakPolarHBondContact O-CA 3.12Å; V22-V26 WeakPolarHBondContact O-CB 3.14Å; V22-V26 WeakPolarHBondContact O-CG2 3.42Å; V22-V26 PolarHBondContact O-N 3.47Å
23V62.2Low56.8Low71 Ų7193.9 Ų93.943%0.4354%0.542SS..Hα-helixtrans-70.4-47.5-179.4175.70000112.1V19 I21 T25 V26 I27V19-V23 HydrophobicContact CG1-CG2 3.79Å; V19-V23 WeakPolarHBondContact O-CB 3.49Å; V19-V23 VanDerWaalsContact O-CG2 3.22Å; V19-V23 WeakPolarHBondContact O-CG2 3.22Å; V19-V23 PolarHBondContact O-N 3.41Å; I21-V23 PolarHBondContact O-N 2.98Å; V23-T25 VanDerWaalsContact C-N 3.33Å; V23-T25 PolarHBondContact O-N 2.8Å; V23-V26 PolarHBondContact O-N 3.47Å; V23-I27 HydrophobicContact CG1-CD1 3.7Å; V23-I27 HydrophobicContact CG1-CG1 4.39Å; V23-I27 WeakPolarHBondContact O-CB 3.33Å; V23-I27 WeakPolarHBondContact O-CG1 3.21Å; V23-I27 PolarHBondContact O-N 3.48Å
24P52.7Low55.4Low64 Ų6499.4 Ų99.442%0.41656%0.563SS.*Hα-helixtrans-64.5-36.4171.9-24.536.6000112.7L20 I21 I27 F28L20-P24 WeakPolarHBondContact O-CD 3.06Å; L20-P24 WeakPolarHBondContact O-CG 3.14Å; I21-P24 WeakPolarHBondContact O-CD 3.37Å; P24-I27 PolarHBondContact O-N 2.71Å; P24-F28 WeakPolarHBondContact O-CB 3.37Å; P24-F28 PolarHBondContact O-N 2.75Å
25T50.9Low53.8Low67 Ų67102.2 Ų102.241%0.41157%0.574SS.*Hα-helixtrans-70.4-36.8178-47.80000111.2I21 V22 V23 F28 L29I21-T25 WeakPolarHBondContact O-CB 3.47Å; I21-T25 PolarHBondContact O-N 2.79Å; I21-T25 PolarHBondContact O-OG1 3.41Å; V22-T25 PolarHBondContact O-N 3.34Å; V23-T25 VanDerWaalsContact C-N 3.33Å; V23-T25 PolarHBondContact O-N 2.8Å; T25-F28 PolarHBondContact O-N 3.33Å; T25-L29 HydrophobicContact CG2-CD1 3.52Å; T25-L29 HydrophobicContact CG2-CG 4.16Å; T25-L29 WeakPolarHBondContact O-CB 3.09Å; T25-L29 WeakPolarHBondContact O-CD1 2.84Å; T25-L29 WeakPolarHBondContact O-CG 3.19Å; T25-L29 PolarHBondContact O-N 2.91Å
26V50.5Low52.6Low66 Ų66102.9 Ų102.940%0.459%0.586SS.*Hα-helixtrans-72.9-33.5172.71710000110.5V22 V23 L29 K30V22-V26 HydrophobicContact CG1-CG2 3.71Å; V22-V26 WeakPolarHBondContact O-CA 3.12Å; V22-V26 WeakPolarHBondContact O-CB 3.14Å; V22-V26 WeakPolarHBondContact O-CG2 3.42Å; V22-V26 PolarHBondContact O-N 3.47Å; V23-V26 PolarHBondContact O-N 3.47Å; V26-L29 PolarHBondContact O-N 3.25Å; V26-K30 HydrophobicContact CG1-CB 4.39Å; V26-K30 HydrophobicContact CG1-CD 4.22Å; V26-K30 WeakPolarHBondContact O-CA 3.32Å; V26-K30 WeakPolarHBondContact O-CB 3.46Å; V26-K30 PolarHBondContact O-N 3.01Å
27I51.7Low50.8Low112 Ų112106.6 Ų106.657%0.57460%0.603SS**Hα-helixtrans-68.3-39.6172.1-69.5166.9000110.5V23 P24 D31V23-I27 HydrophobicContact CG1-CD1 3.7Å; V23-I27 HydrophobicContact CG1-CG1 4.39Å; V23-I27 WeakPolarHBondContact O-CB 3.33Å; V23-I27 WeakPolarHBondContact O-CG1 3.21Å; V23-I27 PolarHBondContact O-N 3.48Å; P24-I27 PolarHBondContact O-N 2.71Å; I27-D31 PolarHBondContact O-N 2.96Å
28F46.4Very low49.3Very low178 Ų178107 Ų10778%0.78162%0.615SS**Hα-helixtrans-71.3-29.3174-110.6-89.3000113.5P24 T25P24-F28 WeakPolarHBondContact O-CB 3.37Å; P24-F28 PolarHBondContact O-N 2.75Å; T25-F28 PolarHBondContact O-N 3.33Å
29L43.4Very low48.2Very low123 Ų123108.5 Ų108.564%0.64464%0.635SS**Hα-helixtrans-92.4-13.1178.5-70.5168000113.2T25 V26T25-L29 HydrophobicContact CG2-CD1 3.52Å; T25-L29 HydrophobicContact CG2-CG 4.16Å; T25-L29 WeakPolarHBondContact O-CB 3.09Å; T25-L29 WeakPolarHBondContact O-CD1 2.84Å; T25-L29 WeakPolarHBondContact O-CG 3.19Å; T25-L29 PolarHBondContact O-N 2.91Å; V26-L29 PolarHBondContact O-N 3.25Å
30K35.3Very low47.7Very low157 Ų157111.7 Ų111.768%0.68365%0.649SS**Hα-helixtrans-102.60.1-179.5-158.6177.8-172.5-173.40112.8V26 D32V26-K30 HydrophobicContact CG1-CB 4.39Å; V26-K30 HydrophobicContact CG1-CD 4.22Å; V26-K30 WeakPolarHBondContact O-CA 3.32Å; V26-K30 WeakPolarHBondContact O-CB 3.46Å; V26-K30 PolarHBondContact O-N 3.01Å; K30-D32 PolarHBondContact O-N 2.84Å
31D39Very low48.4Very low150 Ų150110.2 Ų110.280%0.80265%0.645SS**THydrogen-bonded Turntrans-75-4.3159.8-122.45000112.2I27I27-D31 PolarHBondContact O-N 2.96Å
32D41Very low49.7Very low150 Ų150110.7 Ų110.780%0.80264%0.643SS**THydrogen-bonded Turntrans-11436.1177.3-83.9-30000113.2K30K30-D32 PolarHBondContact O-N 2.84Å
33G34.9Very low51.3Low51 Ų51109.5 Ų109.553%0.52663%0.633SS.*SBendtrans-150.684.5-176.300000117.1
34D40.5Very low52.9Low154 Ų154106.1 Ų106.182%0.82461%0.613SS**  trans62.276136.8-154.125.5000117.7G36D34-G36 PolarHBondContact O-N 3.46Å
35D36.3Very low55.1Low165 Ų165104.1 Ų104.188%0.88260%0.604SS**  trans-85.887.4151.4-101-14.6000108.5N37D35-N37 PolarHBondContact O-N 2.79Å
36G42.9Very low57.3Low63 Ų63102.6 Ų102.665%0.64959%0.593SS**  trans-62.794.7170.400000111.5D34D34-G36 PolarHBondContact O-N 3.46Å
37N35.8Very low59.5Low155 Ų155104.7 Ų104.783%0.82960%0.599SS**  trans-163.2121.8150.1-115.3-22.5000113D35D35-N37 PolarHBondContact O-N 2.79Å
38A37.4Very low61.6Low91 Ų91100.8 Ų100.875%0.75258%0.58SS**SBendtrans71.684.9168.700000118.3D40A38-D40 PolarHBondContact O-N 3.46Å
39G43.2Very low64Low77 Ų7792.8 Ų92.879%0.79455%0.545SS*.  trans47.748.5146.600000117V41G39-V41 PolarHBondContact O-N 2.77Å
40D60Low66.5Low153 Ų15389.5 Ų89.582%0.81853%0.526SS*.  trans-62.7121.6-177.6-97.4-25.6000111.4A38 K42A38-D40 PolarHBondContact O-N 3.46Å; D40-K42 PolarHBondContact O-N 3.46Å
41V81.4Confident69.3Low85 Ų8585 Ų8552%0.51551%0.509SS..  trans-80115.8-176174.10000108.5G39 M43 Q491G39-V41 PolarHBondContact O-N 2.77Å; V41-M43 HydrophobicContact CG1-SD 4.25Å; V41-M43 PolarHBondContact O-N 3.43Å; V41-Q491 HydrophobicContact CB-CG 4.49Å; V41-Q491 HydrophobicContact CG1-CB 4.39Å; V41-Q491 VanDerWaalsContact CG1-CD 3.48Å; V41-Q491 HydrophobicContact CG1-CG 3.01Å
42K94.7Very high71.8Confident114 Ų11482.3 Ų82.350%0.49650%0.502SS..  trans-68.2124.7-177.7-173.5178.7178.9-1760111.5D40 I490 Q491D40-K42 PolarHBondContact O-N 3.46Å; K42-I490 HydrophobicContact CD-CG1 3.95Å; K42-I490 HydrophobicContact CG-CG1 4.25Å; K42-I490 CarbonylContact O-C 3.56Å; K42-I490 WeakPolarHBondContact O-CA 3.39Å; K42-Q491 PolarHBondContact O-N 2.94Å
43M96.4Very high74.2Confident54 Ų5479.1 Ų79.127%0.26649%0.491SS..BIsolated β-bridgetrans-100.8158.8179-56.7-53.9-6300111.1V41 G45 Q491 P515 S552 T553V41-M43 HydrophobicContact CG1-SD 4.25Å; V41-M43 PolarHBondContact O-N 3.43Å; M43-G45 PolarHBondContact O-N 3.28Å; M43-Q491 HydrophobicContact CE-CB 4.07Å; M43-Q491 HydrophobicContact SD-CB 3.79Å; M43-Q491 HydrophobicContact SD-CG 3.88Å; M43-P515 HydrophobicContact CE-CG 4.39Å; M43-S552 WeakPolarHBondContact CE-O 3.27Å; M43-S552 WeakPolarHBondContact CE-OG 3.14Å; M43-T553 WeakPolarHBondContact CB-OG1 3.32Å
44Y97.4Very high77Confident0 Ų077.2 Ų77.20%047%0.469CS..  trans-82.9103.9174.5-169.5-88.3000109.2D48 V49 L54 I490 M492 T548 Y549 S552 T553Y44-D48 HydrophobicContact CD1-CB 4.09Å; Y44-D48 HydrophobicContact CD2-CB 3.96Å; Y44-D48 HydrophobicContact CE1-CB 3.85Å; Y44-D48 HydrophobicContact CE2-CB 3.68Å; Y44-D48 HydrophobicContact CG-CB 4.16Å; Y44-D48 PolarHBondContact OH-O 3.34Å; Y44-D48 VanDerWaalsContact OH-O 3.04Å; Y44-V49 HydrophobicContact CE1-CG2 3.92Å; Y44-L54 HydrophobicContact CE2-CB 4.44Å; Y44-L54 HydrophobicContact CE2-CD1 4.35Å; Y44-I490 HydrophobicContact CD2-CD1 4.44Å; Y44-I490 HydrophobicContact CD2-CG2 4.22Å; Y44-I490 HydrophobicContact CG-CG2 4.49Å; Y44-M492 HydrophobicContact CD2-SD 3.96Å; Y44-T548 HydrophobicContact CD1-CG2 3.81Å; Y44-T548 HydrophobicContact CD2-CG2 4.18Å; Y44-T548 HydrophobicContact CE1-CG2 4.08Å; Y44-T548 HydrophobicContact CE2-CG2 4.46Å; Y44-T548 HydrophobicContact CG-CG2 3.85Å; Y44-Y549 WeakPolarHBondContact O-CD2 3.42Å; Y44-S552 PolarHBondContact N-OG 2.87Å; Y44-T553 PolarHBondContact O-OG1 2.86Å
45G97.2Very high79.6Confident22 Ų2274.6 Ų74.623%0.22745%0.45CS..  trans-79.5168.1-173.500000113.8M43 M47 D48 Y549M43-G45 PolarHBondContact O-N 3.28Å; G45-M47 VanDerWaalsContact C-N 3.27Å; G45-M47 PolarHBondContact O-N 3.23Å; G45-D48 PolarHBondContact N-OD2 3.35Å; G45-D48 WeakPolarHBondContact O-CB 3.06Å; G45-D48 PolarHBondContact O-N 3.47Å; G45-D48 VanDerWaalsContact O-N 3.14Å; G45-Y549 VanDerWaalsContact C-CD2 3.49Å
46I97.3Very high82.4Confident35 Ų3568.5 Ų68.518%0.17942%0.42CS..THydrogen-bonded Turntrans-63.3-34.2178.4-175.657.8000112D48 V49 F50 Y549 I733I46-D48 VanDerWaalsContact C-N 3.28Å; I46-D48 PolarHBondContact O-N 2.93Å; I46-V49 HydrophobicContact CD1-CG2 4.21Å; I46-V49 VanDerWaalsContact O-CB 3.27Å; I46-V49 WeakPolarHBondContact O-CB 3.42Å; I46-V49 WeakPolarHBondContact O-CG2 3.46Å; I46-V49 PolarHBondContact O-N 3.13Å; I46-F50 HydrophobicContact CD1-CE2 4.37Å; I46-F50 HydrophobicContact CG1-CE2 4.45Å; I46-F50 WeakPolarHBondContact O-CD2 3.39Å; I46-F50 WeakPolarHBondContact O-CE2 3.31Å; I46-Y549 HydrophobicContact CB-CD1 4.24Å; I46-Y549 HydrophobicContact CB-CD2 3.98Å; I46-Y549 HydrophobicContact CB-CE1 4.05Å; I46-Y549 HydrophobicContact CB-CE2 3.82Å; I46-Y549 HydrophobicContact CB-CG 4.19Å; I46-Y549 HydrophobicContact CD1-CD1 3.63Å; I46-Y549 HydrophobicContact CD1-CE1 3.76Å; I46-Y549 HydrophobicContact CD1-CG 4.17Å; I46-Y549 HydrophobicContact CG1-CD1 4.46Å; I46-Y549 HydrophobicContact CG1-CE1 4.28Å; I46-I733 HydrophobicContact CG1-CG1 3.9Å
47M96.9Very high84.8Confident110 Ų11067.6 Ų67.654%0.54241%0.406SS..G310 helixtrans-71-24.9177.4-61.8-54.2-71.400112.5G45 V49 F50 N51 M729 I733G45-M47 VanDerWaalsContact C-N 3.27Å; G45-M47 PolarHBondContact O-N 3.23Å; M47-V49 PolarHBondContact O-N 3.47Å; M47-F50 PolarHBondContact O-N 3.49Å; M47-F50 VanDerWaalsContact O-N 3.14Å; M47-N51 PolarHBondContact O-N 3.2Å; M47-M729 HydrophobicContact CE-SD 3.88Å; M47-I733 HydrophobicContact SD-CD1 4.47Å
48D97.1Very high87.5Confident30 Ų3063.7 Ų63.716%0.1639%0.391CS..G310 helixtrans-65.2-26.1176.3-66.5-32.4000112.1Y44 G45 I46 F50 N51 L54Y44-D48 HydrophobicContact CD1-CB 4.09Å; Y44-D48 HydrophobicContact CD2-CB 3.96Å; Y44-D48 HydrophobicContact CE1-CB 3.85Å; Y44-D48 HydrophobicContact CE2-CB 3.68Å; Y44-D48 HydrophobicContact CG-CB 4.16Å; Y44-D48 PolarHBondContact OH-O 3.34Å; Y44-D48 VanDerWaalsContact OH-O 3.04Å; G45-D48 PolarHBondContact N-OD2 3.35Å; G45-D48 WeakPolarHBondContact O-CB 3.06Å; G45-D48 PolarHBondContact O-N 3.47Å; G45-D48 VanDerWaalsContact O-N 3.14Å; I46-D48 VanDerWaalsContact C-N 3.28Å; I46-D48 PolarHBondContact O-N 2.93Å; D48-F50 PolarHBondContact O-N 3.42Å; D48-N51 PolarHBondContact O-N 2.93Å; D48-N51 VanDerWaalsContact O-N 3.17Å; D48-L54 HydrophobicContact CB-CD1 3.54Å; D48-L54 VanDerWaalsContact CG-CD1 3.47Å; D48-L54 VanDerWaalsContact OD1-CD1 3.27Å; D48-L54 WeakPolarHBondContact OD1-CD1 3.37Å
49V96.7Very high90.2Very high9 Ų960.3 Ų60.36%0.05536%0.359CS..G310 helixtrans-57.1-34.9174.5178.90000111.7Y44 I46 M47 K55Y44-V49 HydrophobicContact CE1-CG2 3.92Å; I46-V49 HydrophobicContact CD1-CG2 4.21Å; I46-V49 VanDerWaalsContact O-CB 3.27Å; I46-V49 WeakPolarHBondContact O-CB 3.42Å; I46-V49 WeakPolarHBondContact O-CG2 3.46Å; I46-V49 PolarHBondContact O-N 3.13Å; M47-V49 PolarHBondContact O-N 3.47Å; V49-K55 WeakPolarHBondContact O-CE 3.47Å; V49-K55 PolarHBondContact O-NZ 3.45Å
50F95.5Very high92.4Very high55 Ų5561.7 Ų61.724%0.24135%0.348CS..G310 helixtrans-98.2-5.3-176.6-51.6-70.2000112.9I46 M47 D48 S52 M729 Y732I46-F50 HydrophobicContact CD1-CE2 4.37Å; I46-F50 HydrophobicContact CG1-CE2 4.45Å; I46-F50 WeakPolarHBondContact O-CD2 3.39Å; I46-F50 WeakPolarHBondContact O-CE2 3.31Å; M47-F50 PolarHBondContact O-N 3.49Å; M47-F50 VanDerWaalsContact O-N 3.14Å; D48-F50 PolarHBondContact O-N 3.42Å; F50-S52 PolarHBondContact O-N 3.07Å; F50-M729 HydrophobicContact CD1-CB 4.21Å; F50-M729 HydrophobicContact CD1-CG 4.33Å; F50-M729 HydrophobicContact CD2-CB 4.45Å; F50-M729 HydrophobicContact CD2-CG 3.71Å; F50-M729 HydrophobicContact CD2-SD 4.36Å; F50-M729 HydrophobicContact CE1-CB 4.13Å; F50-M729 HydrophobicContact CE1-CG 4.36Å; F50-M729 HydrophobicContact CE2-CB 4.36Å; F50-M729 HydrophobicContact CE2-CG 3.73Å; F50-M729 HydrophobicContact CG-CB 4.4Å; F50-M729 HydrophobicContact CG-CG 4.04Å; F50-M729 HydrophobicContact CZ-CB 4.22Å; F50-M729 HydrophobicContact CZ-CG 4.08Å; F50-Y732 AromaticContact CE1-CD2 3.91Å; F50-Y732 HydrophobicContact CE1-CD2 3.91Å; F50-Y732 AromaticContact CZ-CD2 3.86Å; F50-Y732 HydrophobicContact CZ-CD2 3.86Å; F50-Y732 HydrophobicContact CZ-CG 4.2Å
51N94.5Very high94Very high62 Ų6255 Ų5533%0.33231%0.313SS..  trans-79.6110.8178.1-172.7-14.5000110.6M47 D48 S53 L54M47-N51 PolarHBondContact O-N 3.2Å; D48-N51 PolarHBondContact O-N 2.93Å; D48-N51 VanDerWaalsContact O-N 3.17Å; N51-S53 PolarHBondContact O-N 3.45Å; N51-S53 WeakPolarHBondContact OD1-CB 3.44Å; N51-S53 PolarHBondContact OD1-N 3.29Å; N51-L54 HydrophobicContact CB-CB 4.4Å; N51-L54 HydrophobicContact CB-CD1 4.23Å; N51-L54 HydrophobicContact CB-CG 4.3Å; N51-L54 PolarHBondContact O-N 2.95Å; N51-L54 VanDerWaalsContact O-N 3.07Å
52S90.3Very high94.7Very high94 Ų9456.2 Ų56.266%0.65731%0.308SS*.G310 helixtrans-62.6-27.3179.254.80000113.5F50 L54 K55F50-S52 PolarHBondContact O-N 3.07Å; S52-L54 PolarHBondContact O-N 2.91Å; S52-K55 PolarHBondContact O-N 3.27Å
53S90.8Very high94.8Very high82 Ų8251.4 Ų51.457%0.57329%0.287SS*.G310 helixtrans-70.7-17.5176.6-58.20000112.9N51 K55N51-S53 PolarHBondContact O-N 3.45Å; N51-S53 WeakPolarHBondContact OD1-CB 3.44Å; N51-S53 PolarHBondContact OD1-N 3.29Å; S53-K55 VanDerWaalsContact C-N 3.33Å
54L94.8Very high94.7Very high11 Ų1150.1 Ų50.16%0.05828%0.28CS..G310 helixtrans-100.334.7174.7-61.3179000111.4Y44 D48 N51 S52 F483 A486 I487 I490 V544Y44-L54 HydrophobicContact CE2-CB 4.44Å; Y44-L54 HydrophobicContact CE2-CD1 4.35Å; D48-L54 HydrophobicContact CB-CD1 3.54Å; D48-L54 VanDerWaalsContact CG-CD1 3.47Å; D48-L54 VanDerWaalsContact OD1-CD1 3.27Å; D48-L54 WeakPolarHBondContact OD1-CD1 3.37Å; N51-L54 HydrophobicContact CB-CB 4.4Å; N51-L54 HydrophobicContact CB-CD1 4.23Å; N51-L54 HydrophobicContact CB-CG 4.3Å; N51-L54 PolarHBondContact O-N 2.95Å; N51-L54 VanDerWaalsContact O-N 3.07Å; S52-L54 PolarHBondContact O-N 2.91Å; L54-F483 WeakPolarHBondContact O-CE2 3.48Å; L54-A486 HydrophobicContact CD2-CB 3.9Å; L54-I487 HydrophobicContact CD2-CG2 4.04Å; L54-I490 HydrophobicContact CD1-CD1 4.36Å; L54-I490 HydrophobicContact CD2-CD1 4.3Å; L54-V544 WeakPolarHBondContact O-CG2 3.45Å
55K94.3Very high94.6Very high99 Ų9950.9 Ų50.943%0.4329%0.286SS..SBendtrans-128142.6170.3-64.5-177.4-179176.20109.5V49 S52 S53 A57 F483 V544V49-K55 WeakPolarHBondContact O-CE 3.47Å; V49-K55 PolarHBondContact O-NZ 3.45Å; S52-K55 PolarHBondContact O-N 3.27Å; S53-K55 VanDerWaalsContact C-N 3.33Å; K55-A57 PolarHBondContact O-N 3.49Å; K55-F483 VanDerWaalsContact C-CD2 3.46Å; K55-V544 HydrophobicContact CG-CG2 4.27Å
56P94.8Very high94.6Very high37 Ų3750.2 Ų50.224%0.2428%0.277CS..PPolyproline II helixtrans-58.7131.3172-20.229.6000111.1P461 N480 F483 Y542P56-P461 HydrophobicContact CB-CB 4.34Å; P56-P461 HydrophobicContact CB-CG 3.81Å; P56-P461 HydrophobicContact CG-CG 4.05Å; P56-N480 WeakPolarHBondContact CA-OD1 3.38Å; P56-F483 HydrophobicContact CB-CD1 4.24Å; P56-F483 HydrophobicContact CB-CE1 4.47Å; P56-F483 HydrophobicContact CG-CD1 3.92Å; P56-F483 HydrophobicContact CG-CE1 3.67Å; P56-F483 HydrophobicContact CG-CE2 4.47Å; P56-F483 HydrophobicContact CG-CG 4.42Å; P56-F483 HydrophobicContact CG-CZ 3.97Å; P56-Y542 HydrophobicContact CG-CD1 3.96Å; P56-Y542 HydrophobicContact CG-CE1 4.19Å
57A93.9Very high94.6Very high44 Ų4451.7 Ų51.736%0.36428%0.281SS..PPolyproline II helixtrans-69.5143.717000000110.8K55 E478 N480K55-A57 PolarHBondContact O-N 3.49Å; A57-E478 HydrophobicContact CB-CG 4.26Å; A57-N480 PolarHBondContact N-OD1 2.97Å; A57-N480 PolarHBondContact O-ND2 3.02Å; A57-N480 PolarHBondContact O-OD1 3.11Å
58S92.5Very high94.6Very high74 Ų7448 Ų4852%0.51726%0.262SS..PPolyproline II helixtrans-100.7155.2169.763.50000110.5
59Y93.9Very high94.6Very high19 Ų1946.6 Ų46.68%0.07526%0.255CS..  trans-99.4103.6171.9-165.5-94.2000112.6M61 Y69 H71 R452 L477 E478Y59-M61 HydrophobicContact CD1-CB 4.23Å; Y59-M61 HydrophobicContact CD1-CG 4.46Å; Y59-M61 HydrophobicContact CD1-SD 4.13Å; Y59-M61 HydrophobicContact CE1-CB 3.97Å; Y59-M61 HydrophobicContact CE1-CE 4.29Å; Y59-M61 HydrophobicContact CE1-CG 4.49Å; Y59-M61 HydrophobicContact CE1-SD 4.08Å; Y59-Y69 HydrophobicContact CE1-CE2 4.46Å; Y59-H71 AromaticContact CD2-CE1 3.73Å; Y59-H71 AromaticContact CE1-ND1 3.79Å; Y59-H71 AromaticContact CE2-CE1 3.22Å; Y59-H71 WeakPolarHBondContact CE2-CE1 3.44Å; Y59-H71 AromaticContact CE2-ND1 3.68Å; Y59-H71 AromaticContact CE2-NE2 3.46Å; Y59-H71 WeakPolarHBondContact CE2-NE2 3.43Å; Y59-H71 AromaticContact CZ-CD2 3.96Å; Y59-H71 AromaticContact CZ-CE1 3.47Å; Y59-H71 VanDerWaalsContact CZ-CE1 3.47Å; Y59-H71 AromaticContact CZ-CG 3.72Å; Y59-H71 AromaticContact CZ-ND1 3.39Å; Y59-H71 AromaticContact CZ-NE2 3.77Å; Y59-H71 PolarHBondContact OH-CD2 2.89Å; Y59-R452 PolarHBondContact O-NH1 3.04Å; Y59-L477 HydrophobicContact CD1-CB 3.76Å; Y59-L477 HydrophobicContact CD1-CD1 3.74Å; Y59-L477 HydrophobicContact CD1-CD2 4.44Å; Y59-L477 HydrophobicContact CD1-CG 4.18Å; Y59-L477 HydrophobicContact CD2-CB 3.67Å; Y59-L477 WeakPolarHBondContact CD2-O 3.29Å; Y59-L477 HydrophobicContact CE1-CB 3.92Å; Y59-L477 HydrophobicContact CE1-CD1 3.82Å; Y59-L477 HydrophobicContact CE1-CD2 3.81Å; Y59-L477 HydrophobicContact CE1-CG 4.05Å; Y59-L477 HydrophobicContact CE2-CB 3.85Å; Y59-L477 HydrophobicContact CE2-CD2 4.41Å; Y59-L477 WeakPolarHBondContact CE2-O 3.28Å; Y59-L477 HydrophobicContact CG-CB 3.6Å; Y59-L477 HydrophobicContact CG-CD1 4.38Å; Y59-E478 HydrophobicContact CD2-CB 4.22Å
60N90.1Very high94.6Very high106 Ų10646.4 Ų46.457%0.56725%0.253SS*.  trans-83.5124.3178.2-72-29.7000111.2H71N60-H71 PolarHBondContact O-ND1 3.26Å
61M94.1Very high94.6Very high14 Ų1445 Ų457%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-146.8148.6174.971.7-168.5-48.900110.8Y59 W63 Y69 L70 Y443 R452 L477Y59-M61 HydrophobicContact CD1-CB 4.23Å; Y59-M61 HydrophobicContact CD1-CG 4.46Å; Y59-M61 HydrophobicContact CD1-SD 4.13Å; Y59-M61 HydrophobicContact CE1-CB 3.97Å; Y59-M61 HydrophobicContact CE1-CE 4.29Å; Y59-M61 HydrophobicContact CE1-CG 4.49Å; Y59-M61 HydrophobicContact CE1-SD 4.08Å; M61-W63 HydrophobicContact CE-CH2 4.39Å; M61-W63 HydrophobicContact CE-CZ2 4.14Å; M61-Y69 HydrophobicContact CB-CD2 3.95Å; M61-Y69 HydrophobicContact CB-CE2 4.45Å; M61-Y69 HydrophobicContact CE-CD1 3.53Å; M61-Y69 HydrophobicContact CE-CD2 3.26Å; M61-Y69 HydrophobicContact CE-CE1 3.65Å; M61-Y69 HydrophobicContact CE-CE2 3.37Å; M61-Y69 HydrophobicContact CE-CG 3.31Å; M61-L70 CarbonylContact C-O 3.43Å; M61-L70 VanDerWaalsContact CA-O 3.29Å; M61-L70 WeakPolarHBondContact CA-O 3.21Å; M61-Y443 HydrophobicContact CG-CD1 4.35Å; M61-Y443 HydrophobicContact CG-CE1 4.49Å; M61-R452 HydrophobicContact SD-CB 3.54Å; M61-R452 VanDerWaalsContact SD-CB 3.54Å; M61-R452 HydrophobicContact SD-CG 3.71Å; M61-L477 HydrophobicContact SD-CD1 4.14Å
62R95.3Very high94.5Very high109 Ų10946.7 Ų46.741%0.41125%0.252SS..EExtended strand (participates in β ladder)trans-123.5115.4176.3-66.1-179.6177.3159.37.2109.1I64 Y69 L70 D104 F105R62-I64 PolarHBondContact O-N 2.88Å; R62-Y69 CarbonylContact O-C 3.5Å; R62-Y69 VanDerWaalsContact O-CA 3.25Å; R62-Y69 WeakPolarHBondContact O-CA 3.43Å; R62-Y69 WeakPolarHBondContact O-CB 3.36Å; R62-L70 PolarHBondContact N-O 3.35Å; R62-L70 PolarHBondContact O-N 3.18Å; R62-D104 IonicContact CZ-OD1 2.75Å; R62-D104 IonicContact CZ-OD2 3.52Å; R62-D104 IonicContact NH1-OD1 3.42Å; R62-D104 PolarHBondContact NH1-OD1 2.84Å; R62-D104 IonicContact NH1-OD2 3.68Å; R62-D104 VanDerWaalsContact NH2-CG 3.34Å; R62-D104 IonicContact NH2-OD1 3.21Å; R62-D104 PolarHBondContact NH2-OD1 2.83Å; R62-D104 VanDerWaalsContact NH2-OD1 3.09Å; R62-D104 IonicContact NH2-OD2 3.28Å; R62-D104 PolarHBondContact NH2-OD2 3.3Å; R62-F105 PolarHBondContact NH1-O 3.47Å
63W96.6Very high94.5Very high14 Ų1445.2 Ų45.25%0.05324%0.235CC..EExtended strand (participates in β ladder)trans-64.6134.7172.1-67.4113.2000109.5M61 Y69 L83 Y443 F444 L465M61-W63 HydrophobicContact CE-CH2 4.39Å; M61-W63 HydrophobicContact CE-CZ2 4.14Å; W63-Y69 HydrophobicContact CE3-CD1 4.22Å; W63-Y69 HydrophobicContact CE3-CG 4.46Å; W63-Y69 HydrophobicContact CH2-CD1 4.01Å; W63-Y69 AromaticContact CZ3-CD1 3.68Å; W63-Y69 HydrophobicContact CZ3-CD1 3.68Å; W63-Y69 HydrophobicContact CZ3-CG 4.34Å; W63-L83 HydrophobicContact CH2-CD1 3.8Å; W63-L83 HydrophobicContact CZ3-CD1 3.86Å; W63-Y443 AromaticContact CD1-CD1 3.57Å; W63-Y443 AromaticContact CD1-CE1 3.21Å; W63-Y443 AromaticContact CD1-CZ 3.56Å; W63-Y443 HydrophobicContact CG-CE1 4.16Å; W63-Y443 AromaticContact NE1-CD1 3.6Å; W63-Y443 AromaticContact NE1-CE1 3.74Å; W63-Y443 PolarHBondContact NE1-O 2.93Å; W63-F444 PolarHBondContact NE1-O 3.46Å; W63-L465 HydrophobicContact CH2-CD1 3.78Å; W63-L465 HydrophobicContact CZ2-CD1 3.97Å
64I95.5Very high94.3Very high26 Ų2648.4 Ų48.413%0.13325%0.251CS..SBendtrans-118.2-4.617265.2167.2000111.7R62 E68 L70 L80 L107 R111R62-I64 PolarHBondContact O-N 2.88Å; I64-E68 HydrophobicContact CD1-CB 4.2Å; I64-E68 HydrophobicContact CG1-CB 3.77Å; I64-E68 PolarHBondContact N-O 2.87Å; I64-L70 HydrophobicContact CD1-CD2 4.36Å; I64-L70 HydrophobicContact CD1-CG 4.43Å; I64-L70 HydrophobicContact CG2-CD1 3.92Å; I64-L70 HydrophobicContact CG2-CG 3.86Å; I64-L80 HydrophobicContact CD1-CD1 3.53Å; I64-L80 HydrophobicContact CG1-CD1 4.33Å; I64-L107 HydrophobicContact CD1-CD2 4.49Å; I64-L107 HydrophobicContact CG2-CD2 4.01Å; I64-R111 PolarHBondContact O-NH2 2.71Å
65S95.6Very high94Very high17 Ų1751.8 Ų51.812%0.11927%0.269CS..SBendtrans-162.1-175.517596.20000109.7Y67 E68S65-Y67 PolarHBondContact O-N 3.45Å; S65-Y67 PolarHBondContact OG-N 3.07Å; S65-E68 VanDerWaalsContact CB-OE2 3.28Å; S65-E68 WeakPolarHBondContact CB-OE2 3.39Å; S65-E68 PolarHBondContact N-O 2.69Å; S65-E68 WeakPolarHBondContact OG-CB 3.13Å; S65-E68 PolarHBondContact OG-N 3.3Å; S65-E68 PolarHBondContact OG-OE2 3.37Å
66D95.7Very high93.6Very high8 Ų850 Ų504%0.04326%0.264CS..SBendtrans-74.1-15.1173.1-165.146.5000113.6S445 H446 N447 A448 S449 Y450D66-S445 WeakPolarHBondContact O-CB 3.07Å; D66-S445 PolarHBondContact O-OG 3.41Å; D66-S445 WeakPolarHBondContact OD1-CB 3.36Å; D66-S445 PolarHBondContact OD1-OG 2.86Å; D66-H446 HydrophobicContact CB-CB 4.49Å; D66-N447 HydrophobicContact CB-CB 4.24Å; D66-N447 WeakPolarHBondContact OD1-CA 3.33Å; D66-N447 WeakPolarHBondContact OD1-CB 3.38Å; D66-N447 PolarHBondContact OD1-N 3.48Å; D66-A448 PolarHBondContact OD1-N 3.45Å; D66-S449 PolarHBondContact OD1-N 3.19Å; D66-S449 WeakPolarHBondContact OD2-CB 3.4Å; D66-S449 PolarHBondContact OD2-OG 3.24Å; D66-Y450 WeakPolarHBondContact O-CD2 3.37Å
67Y97Very high93.6Very high65 Ų6548.8 Ų48.826%0.25526%0.257SS..SBendtrans-130.50.8-174.1-58.2-81.2000113.4S65 L83 K84 S449 Y450S65-Y67 PolarHBondContact O-N 3.45Å; S65-Y67 PolarHBondContact OG-N 3.07Å; Y67-L83 WeakPolarHBondContact O-CB 3.43Å; Y67-L83 PolarHBondContact O-N 2.98Å; Y67-K84 HydrophobicContact CD1-CD 3.98Å; Y67-K84 VanDerWaalsContact CD1-CE 3.45Å; Y67-K84 HydrophobicContact CD1-CG 3.61Å; Y67-K84 HydrophobicContact CD2-CD 4.07Å; Y67-K84 HydrophobicContact CE1-CD 4.45Å; Y67-K84 VanDerWaalsContact CE1-CE 3.47Å; Y67-K84 HydrophobicContact CE1-CG 4.27Å; Y67-K84 HydrophobicContact CE2-CD 4.49Å; Y67-K84 HydrophobicContact CG-CD 3.8Å; Y67-K84 VanDerWaalsContact CG-CE 3.43Å; Y67-K84 HydrophobicContact CG-CG 3.8Å; Y67-K84 VanDerWaalsContact CZ-CE 3.43Å; Y67-S449 PolarHBondContact OH-OG 2.87Å; Y67-Y450 HydrophobicContact CD1-CD2 4.38Å; Y67-Y450 AromaticContact CD1-CE2 3.56Å; Y67-Y450 HydrophobicContact CD1-CE2 3.56Å; Y67-Y450 AromaticContact CE1-CE2 3.77Å; Y67-Y450 HydrophobicContact CE1-CE2 3.77Å
68E97.2Very high93.7Very high33 Ų3346.8 Ų46.815%0.15424%0.24CC..EExtended strand (participates in β ladder)trans-135.4137.3-173.5-62.6162123.500110.5I64 S65 L80 I81 N82 R111I64-E68 HydrophobicContact CD1-CB 4.2Å; I64-E68 HydrophobicContact CG1-CB 3.77Å; I64-E68 PolarHBondContact N-O 2.87Å; S65-E68 VanDerWaalsContact CB-OE2 3.28Å; S65-E68 WeakPolarHBondContact CB-OE2 3.39Å; S65-E68 PolarHBondContact N-O 2.69Å; S65-E68 WeakPolarHBondContact OG-CB 3.13Å; S65-E68 PolarHBondContact OG-N 3.3Å; S65-E68 PolarHBondContact OG-OE2 3.37Å; E68-L80 HydrophobicContact CB-CD1 4Å; E68-I81 VanDerWaalsContact CA-O 3.31Å; E68-I81 WeakPolarHBondContact CA-O 2.94Å; E68-N82 HydrophobicContact CG-CB 4.26Å; E68-N82 PolarHBondContact OE1-ND2 3.19Å; E68-R111 VanDerWaalsContact CD-NH1 3.34Å; E68-R111 IonicContact OE1-NH1 3.94Å; E68-R111 PolarHBondContact OE1-NH1 2.97Å; E68-R111 IonicContact OE2-CZ 2.81Å; E68-R111 VanDerWaalsContact OE2-CZ 3.29Å; E68-R111 IonicContact OE2-NH1 3.62Å; E68-R111 PolarHBondContact OE2-NH1 3.44Å; E68-R111 IonicContact OE2-NH2 2.93Å; E68-R111 PolarHBondContact OE2-NH2 2.87Å
69Y97.1Very high93.8Very high0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-139.9156.8172.964.7-90.6000111.6Y59 M61 R62 W63 H71 I81 L83 R475Y59-Y69 HydrophobicContact CE1-CE2 4.46Å; M61-Y69 HydrophobicContact CB-CD2 3.95Å; M61-Y69 HydrophobicContact CB-CE2 4.45Å; M61-Y69 HydrophobicContact CE-CD1 3.53Å; M61-Y69 HydrophobicContact CE-CD2 3.26Å; M61-Y69 HydrophobicContact CE-CE1 3.65Å; M61-Y69 HydrophobicContact CE-CE2 3.37Å; M61-Y69 HydrophobicContact CE-CG 3.31Å; R62-Y69 CarbonylContact O-C 3.5Å; R62-Y69 VanDerWaalsContact O-CA 3.25Å; R62-Y69 WeakPolarHBondContact O-CA 3.43Å; R62-Y69 WeakPolarHBondContact O-CB 3.36Å; W63-Y69 HydrophobicContact CE3-CD1 4.22Å; W63-Y69 HydrophobicContact CE3-CG 4.46Å; W63-Y69 HydrophobicContact CH2-CD1 4.01Å; W63-Y69 AromaticContact CZ3-CD1 3.68Å; W63-Y69 HydrophobicContact CZ3-CD1 3.68Å; W63-Y69 HydrophobicContact CZ3-CG 4.34Å; Y69-H71 HydrophobicContact CD2-CB 4.3Å; Y69-H71 HydrophobicContact CE2-CB 4.12Å; Y69-I81 HydrophobicContact CD1-CB 4.29Å; Y69-I81 HydrophobicContact CD1-CG2 4.47Å; Y69-I81 HydrophobicContact CD2-CB 4.34Å; Y69-I81 HydrophobicContact CD2-CD1 4.26Å; Y69-I81 HydrophobicContact CE1-CB 3.86Å; Y69-I81 HydrophobicContact CE1-CG2 3.68Å; Y69-I81 HydrophobicContact CE2-CB 3.94Å; Y69-I81 HydrophobicContact CE2-CD1 3.35Å; Y69-I81 HydrophobicContact CE2-CG1 4.13Å; Y69-I81 HydrophobicContact CE2-CG2 4.4Å; Y69-I81 PolarHBondContact N-O 3.49Å; Y69-I81 PolarHBondContact O-N 3.37Å; Y69-I81 WeakPolarHBondContact OH-CD1 3.31Å; Y69-L83 HydrophobicContact CE1-CD1 4.39Å; Y69-L83 HydrophobicContact CE1-CD2 4.02Å; Y69-L83 HydrophobicContact CE1-CG 4.28Å; Y69-R475 PolarHBondContact OH-NH1 3.48Å
70L96.8Very high94Very high6 Ų643.7 Ų43.73%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-97.2137.6169.9-59.5179.2000109.6M61 R62 I64 V78 T79 L80 F91 F105 L107M61-L70 CarbonylContact C-O 3.43Å; M61-L70 VanDerWaalsContact CA-O 3.29Å; M61-L70 WeakPolarHBondContact CA-O 3.21Å; R62-L70 PolarHBondContact N-O 3.35Å; R62-L70 PolarHBondContact O-N 3.18Å; I64-L70 HydrophobicContact CD1-CD2 4.36Å; I64-L70 HydrophobicContact CD1-CG 4.43Å; I64-L70 HydrophobicContact CG2-CD1 3.92Å; I64-L70 HydrophobicContact CG2-CG 3.86Å; L70-V78 HydrophobicContact CB-CG1 3.95Å; L70-V78 HydrophobicContact CD1-CG1 4.48Å; L70-V78 HydrophobicContact CD2-CG1 4.21Å; L70-V78 HydrophobicContact CG-CG1 4.44Å; L70-T79 WeakPolarHBondContact CA-O 3.34Å; L70-L80 HydrophobicContact CD2-CB 3.94Å; L70-L80 HydrophobicContact CD2-CD1 3.97Å; L70-F91 HydrophobicContact CD1-CD1 4Å; L70-F91 HydrophobicContact CD1-CE1 3.85Å; L70-F91 HydrophobicContact CD1-CZ 4.36Å; L70-F91 HydrophobicContact CD2-CB 3.92Å; L70-F91 HydrophobicContact CD2-CD1 3.63Å; L70-F91 HydrophobicContact CD2-CD2 3.79Å; L70-F91 HydrophobicContact CD2-CE1 4.08Å; L70-F91 HydrophobicContact CD2-CE2 4.17Å; L70-F91 HydrophobicContact CD2-CG 3.49Å; L70-F91 VanDerWaalsContact CD2-CG 3.49Å; L70-F91 HydrophobicContact CD2-CZ 4.33Å; L70-F91 HydrophobicContact CG-CD1 4.48Å; L70-F105 HydrophobicContact CD1-CE2 3.79Å; L70-F105 HydrophobicContact CD1-CZ 4.01Å; L70-L107 HydrophobicContact CD1-CD2 4.22Å
71H95.4Very high94.3Very high24 Ų2439 Ų3911%0.11119%0.194CC..EExtended strand (participates in β ladder)trans-128.2135.8173.8176.256.9000109.3Y59 N60 Y69 E73 V78 T79 I81Y59-H71 AromaticContact CD2-CE1 3.73Å; Y59-H71 AromaticContact CE1-ND1 3.79Å; Y59-H71 AromaticContact CE2-CE1 3.22Å; Y59-H71 WeakPolarHBondContact CE2-CE1 3.44Å; Y59-H71 AromaticContact CE2-ND1 3.68Å; Y59-H71 AromaticContact CE2-NE2 3.46Å; Y59-H71 WeakPolarHBondContact CE2-NE2 3.43Å; Y59-H71 AromaticContact CZ-CD2 3.96Å; Y59-H71 AromaticContact CZ-CE1 3.47Å; Y59-H71 VanDerWaalsContact CZ-CE1 3.47Å; Y59-H71 AromaticContact CZ-CG 3.72Å; Y59-H71 AromaticContact CZ-ND1 3.39Å; Y59-H71 AromaticContact CZ-NE2 3.77Å; Y59-H71 PolarHBondContact OH-CD2 2.89Å; N60-H71 PolarHBondContact O-ND1 3.26Å; Y69-H71 HydrophobicContact CD2-CB 4.3Å; Y69-H71 HydrophobicContact CE2-CB 4.12Å; H71-E73 IonicContact CD2-OE1 3.52Å; H71-E73 IonicContact CD2-OE2 2.66Å; H71-E73 IonicContact NE2-OE2 3.52Å; H71-V78 CarbonylContact O-C 3.49Å; H71-V78 WeakPolarHBondContact O-CA 3.32Å; H71-T79 PolarHBondContact N-O 3.31Å; H71-T79 PolarHBondContact O-N 3.14Å; H71-I81 HydrophobicContact CB-CD1 4.21Å
72K92.5Very high94.4Very high98 Ų9839.9 Ų39.943%0.42620%0.199SC..EExtended strand (participates in β ladder)trans-89.7116.9172.9-173.5-179.4178-171.70108.2D76 S77K72-D76 WeakPolarHBondContact CE-OD1 3.45Å; K72-D76 IonicContact NZ-OD1 3.15Å; K72-D76 PolarHBondContact NZ-OD1 3.43Å; K72-S77 WeakPolarHBondContact CA-O 3.29Å
73E90.9Very high94.4Very high63 Ų6335.8 Ų35.829%0.29419%0.185SC..  trans-75.1168.7179.9-58.6-65.8167.100111.2H71 D75 D76 S77 T79H71-E73 IonicContact CD2-OE1 3.52Å; H71-E73 IonicContact CD2-OE2 2.66Å; H71-E73 IonicContact NE2-OE2 3.52Å; E73-D75 WeakPolarHBondContact CB-OD1 3.42Å; E73-D75 PolarHBondContact O-N 3.06Å; E73-D76 PolarHBondContact O-N 3.48Å; E73-D76 VanDerWaalsContact O-N 3.11Å; E73-S77 PolarHBondContact N-O 2.78Å; E73-T79 VanDerWaalsContact CG-OG1 3.3Å; E73-T79 WeakPolarHBondContact CG-OG1 3.35Å; E73-T79 VanDerWaalsContact OE1-CB 3.28Å; E73-T79 WeakPolarHBondContact OE1-CB 3.4Å; E73-T79 PolarHBondContact OE1-OG1 2.76Å
74T86.4Confident94.3Very high150 Ų15041.8 Ų41.892%0.9221%0.212SC*.THydrogen-bonded Turntrans-67.3-19.3178.953.40000113.9D76T74-D76 VanDerWaalsContact C-N 3.28Å
75D87.9Confident94.2Very high81 Ų8144.7 Ų44.743%0.43323%0.231SC..THydrogen-bonded Turntrans-88.67.6174.673-8.1000113.6E73 S77 K94E73-D75 WeakPolarHBondContact CB-OD1 3.42Å; E73-D75 PolarHBondContact O-N 3.06Å; D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 3.4Å; D75-S77 VanDerWaalsContact OD1-CB 3.22Å; D75-S77 WeakPolarHBondContact OD1-CB 3.39Å; D75-S77 PolarHBondContact OD1-N 2.77Å; D75-S77 PolarHBondContact OD1-OG 3.07Å; D75-K94 VanDerWaalsContact O-CD 3.22Å; D75-K94 WeakPolarHBondContact O-CD 2.93Å; D75-K94 PolarHBondContact O-NZ 2.91Å
76D87.3Confident94Very high62 Ų6249.3 Ų49.333%0.33225%0.254SS..SBendtrans71.20.2-173.9-62.7-58.9000116.2K72 E73 T74 K94 I97K72-D76 WeakPolarHBondContact CE-OD1 3.45Å; K72-D76 IonicContact NZ-OD1 3.15Å; K72-D76 PolarHBondContact NZ-OD1 3.43Å; E73-D76 PolarHBondContact O-N 3.48Å; E73-D76 VanDerWaalsContact O-N 3.11Å; T74-D76 VanDerWaalsContact C-N 3.28Å; D76-K94 HydrophobicContact CB-CG 4.46Å; D76-I97 WeakPolarHBondContact O-CD1 3.43Å
77S93.8Very high93.9Very high12 Ų1252.7 Ų52.78%0.08428%0.275CS..  trans-68.7160170.570.80000111.6K72 E73 D75K72-S77 WeakPolarHBondContact CA-O 3.29Å; E73-S77 PolarHBondContact N-O 2.78Å; D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 3.4Å; D75-S77 VanDerWaalsContact OD1-CB 3.22Å; D75-S77 WeakPolarHBondContact OD1-CB 3.39Å; D75-S77 PolarHBondContact OD1-N 2.77Å; D75-S77 PolarHBondContact OD1-OG 3.07Å
78V95.5Very high93.8Very high2 Ų252.9 Ų52.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-114.7122.3177.3-178.30000108.9L70 H71 F91 L92 I97 F105L70-V78 HydrophobicContact CB-CG1 3.95Å; L70-V78 HydrophobicContact CD1-CG1 4.48Å; L70-V78 HydrophobicContact CD2-CG1 4.21Å; L70-V78 HydrophobicContact CG-CG1 4.44Å; H71-V78 CarbonylContact O-C 3.49Å; H71-V78 WeakPolarHBondContact O-CA 3.32Å; V78-F91 HydrophobicContact CG1-CB 4.27Å; V78-F91 HydrophobicContact CG1-CD1 4.27Å; V78-F91 WeakPolarHBondContact O-CA 3.15Å; V78-F91 VanDerWaalsContact O-CB 3.3Å; V78-F91 WeakPolarHBondContact O-CB 3.24Å; V78-F91 PolarHBondContact O-N 3.12Å; V78-L92 HydrophobicContact CB-CB 4.03Å; V78-L92 HydrophobicContact CG2-CB 4.24Å; V78-L92 HydrophobicContact CG2-CD1 4.47Å; V78-L92 PolarHBondContact N-O 3.12Å; V78-L92 PolarHBondContact O-N 2.96Å; V78-L92 VanDerWaalsContact O-N 3.1Å; V78-I97 HydrophobicContact CG2-CD1 3.99Å; V78-F105 HydrophobicContact CB-CZ 4.48Å; V78-F105 HydrophobicContact CG1-CE1 4.28Å; V78-F105 HydrophobicContact CG1-CZ 3.83Å; V78-F105 HydrophobicContact CG2-CD1 4.39Å; V78-F105 HydrophobicContact CG2-CE1 3.53Å; V78-F105 HydrophobicContact CG2-CZ 3.95Å
79T96.3Very high93.7Very high15 Ų1556.5 Ų56.59%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-101133.6177.7-550000110.2L70 H71 E73 I81 E89L70-T79 WeakPolarHBondContact CA-O 3.34Å; H71-T79 PolarHBondContact N-O 3.31Å; H71-T79 PolarHBondContact O-N 3.14Å; E73-T79 VanDerWaalsContact CG-OG1 3.3Å; E73-T79 WeakPolarHBondContact CG-OG1 3.35Å; E73-T79 VanDerWaalsContact OE1-CB 3.28Å; E73-T79 WeakPolarHBondContact OE1-CB 3.4Å; E73-T79 PolarHBondContact OE1-OG1 2.76Å; T79-I81 HydrophobicContact CG2-CD1 4.42Å; T79-I81 HydrophobicContact CG2-CG1 3.91Å; T79-E89 WeakPolarHBondContact CA-O 3.37Å; T79-E89 WeakPolarHBondContact CG2-O 3.1Å
80L96.7Very high93.6Very high13 Ų1361 Ų617%0.06833%0.33CS..EExtended strand (participates in β ladder)trans-89.5127.1165.3171.361.9000109I64 E68 L70 S88 E89 F91I64-L80 HydrophobicContact CD1-CD1 3.53Å; I64-L80 HydrophobicContact CG1-CD1 4.33Å; E68-L80 HydrophobicContact CB-CD1 4Å; L70-L80 HydrophobicContact CD2-CB 3.94Å; L70-L80 HydrophobicContact CD2-CD1 3.97Å; L80-S88 VanDerWaalsContact O-CA 3.31Å; L80-S88 WeakPolarHBondContact O-CA 3.27Å; L80-E89 HydrophobicContact CB-CG 4.15Å; L80-E89 HydrophobicContact CD2-CG 4.37Å; L80-E89 PolarHBondContact N-O 3.38Å; L80-E89 PolarHBondContact O-N 2.97Å; L80-F91 HydrophobicContact CB-CB 3.91Å; L80-F91 HydrophobicContact CB-CD2 3.9Å; L80-F91 HydrophobicContact CB-CG 4.27Å; L80-F91 HydrophobicContact CD2-CD2 4.11Å
81I96.9Very high93.5Very high7 Ų761.3 Ų61.34%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-118.5119.2-178.8-62.8166.4000108.8E68 Y69 H71 T79 L83E68-I81 VanDerWaalsContact CA-O 3.31Å; E68-I81 WeakPolarHBondContact CA-O 2.94Å; Y69-I81 HydrophobicContact CD1-CB 4.29Å; Y69-I81 HydrophobicContact CD1-CG2 4.47Å; Y69-I81 HydrophobicContact CD2-CB 4.34Å; Y69-I81 HydrophobicContact CD2-CD1 4.26Å; Y69-I81 HydrophobicContact CE1-CB 3.86Å; Y69-I81 HydrophobicContact CE1-CG2 3.68Å; Y69-I81 HydrophobicContact CE2-CB 3.94Å; Y69-I81 HydrophobicContact CE2-CD1 3.35Å; Y69-I81 HydrophobicContact CE2-CG1 4.13Å; Y69-I81 HydrophobicContact CE2-CG2 4.4Å; Y69-I81 PolarHBondContact N-O 3.49Å; Y69-I81 PolarHBondContact O-N 3.37Å; Y69-I81 WeakPolarHBondContact OH-CD1 3.31Å; H71-I81 HydrophobicContact CB-CD1 4.21Å; T79-I81 HydrophobicContact CG2-CD1 4.42Å; T79-I81 HydrophobicContact CG2-CG1 3.91Å; I81-L83 HydrophobicContact CG2-CD2 4.31Å
82N96.8Very high93.4Very high32 Ų3260.5 Ų60.517%0.17133%0.328CS..EExtended strand (participates in β ladder)trans-102.4116177.3-172.5-49.2000110.8E68 K84 T85 N86 V87E68-N82 HydrophobicContact CG-CB 4.26Å; E68-N82 PolarHBondContact OE1-ND2 3.19Å; N82-K84 WeakPolarHBondContact OD1-CB 3.41Å; N82-K84 PolarHBondContact OD1-N 2.99Å; N82-T85 WeakPolarHBondContact CB-OG1 3.28Å; N82-T85 PolarHBondContact OD1-N 3.25Å; N82-T85 VanDerWaalsContact OD1-N 3.09Å; N82-T85 PolarHBondContact OD1-OG1 3.36Å; N82-N86 WeakPolarHBondContact O-CA 3.46Å; N82-N86 PolarHBondContact O-N 2.9Å; N82-V87 PolarHBondContact N-O 2.88Å; N82-V87 PolarHBondContact O-N 3.19Å
83L95.6Very high93.5Very high23 Ų2359.2 Ų59.212%0.1233%0.328CS..THydrogen-bonded Turntrans-77.8-18.7-175.8-62.9179000114.1W63 Y67 Y69 I81 Y450 L465W63-L83 HydrophobicContact CH2-CD1 3.8Å; W63-L83 HydrophobicContact CZ3-CD1 3.86Å; Y67-L83 WeakPolarHBondContact O-CB 3.43Å; Y67-L83 PolarHBondContact O-N 2.98Å; Y69-L83 HydrophobicContact CE1-CD1 4.39Å; Y69-L83 HydrophobicContact CE1-CD2 4.02Å; Y69-L83 HydrophobicContact CE1-CG 4.28Å; I81-L83 HydrophobicContact CG2-CD2 4.31Å; L83-Y450 HydrophobicContact CB-CE2 4.35Å; L83-Y450 HydrophobicContact CD1-CD1 4.07Å; L83-Y450 HydrophobicContact CD1-CD2 3.74Å; L83-Y450 HydrophobicContact CD1-CE1 4.39Å; L83-Y450 HydrophobicContact CD1-CE2 4.1Å; L83-Y450 HydrophobicContact CD1-CG 3.73Å; L83-L465 HydrophobicContact CD1-CD1 4.43Å; L83-L465 HydrophobicContact CD1-CD2 3.85Å; L83-L465 HydrophobicContact CD2-CD2 3.48Å; L83-L465 VanDerWaalsContact CD2-CD2 3.48Å; L83-L465 HydrophobicContact CG-CD2 4.32Å
84K92.8Very high93.6Very high141 Ų14160.4 Ų60.461%0.61333%0.332SS*.THydrogen-bonded Turntrans-79.4-45.1176.2-78.4179.7169.3171.20111.9Y67 N82Y67-K84 HydrophobicContact CD1-CD 3.98Å; Y67-K84 VanDerWaalsContact CD1-CE 3.45Å; Y67-K84 HydrophobicContact CD1-CG 3.61Å; Y67-K84 HydrophobicContact CD2-CD 4.07Å; Y67-K84 HydrophobicContact CE1-CD 4.45Å; Y67-K84 VanDerWaalsContact CE1-CE 3.47Å; Y67-K84 HydrophobicContact CE1-CG 4.27Å; Y67-K84 HydrophobicContact CE2-CD 4.49Å; Y67-K84 HydrophobicContact CG-CD 3.8Å; Y67-K84 VanDerWaalsContact CG-CE 3.43Å; Y67-K84 HydrophobicContact CG-CG 3.8Å; Y67-K84 VanDerWaalsContact CZ-CE 3.43Å; N82-K84 WeakPolarHBondContact OD1-CB 3.41Å; N82-K84 PolarHBondContact OD1-N 2.99Å
85T94.3Very high94Very high87 Ų8759.2 Ų59.253%0.53432%0.32SS..THydrogen-bonded Turntrans-90-15.2-17960.40000112.4N82 V87N82-T85 WeakPolarHBondContact CB-OG1 3.28Å; N82-T85 PolarHBondContact OD1-N 3.25Å; N82-T85 VanDerWaalsContact OD1-N 3.09Å; N82-T85 PolarHBondContact OD1-OG1 3.36Å; T85-V87 PolarHBondContact O-N 2.81Å; T85-V87 WeakPolarHBondContact OG1-CB 3.3Å; T85-V87 PolarHBondContact OG1-N 2.81Å
86N91.2Very high94.3Very high114 Ų11457.2 Ų57.261%0.6131%0.308SS*.THydrogen-bonded Turntrans56.130.9-170.4-162.646.4000112.6N82 R475N82-N86 WeakPolarHBondContact O-CA 3.46Å; N82-N86 PolarHBondContact O-N 2.9Å; N86-R475 PolarHBondContact OD1-NH2 3.25Å
87V94.4Very high94.6Very high78 Ų7855 Ų5547%0.47330%0.296SS..EExtended strand (participates in β ladder)trans-98136.9175.4176.50000108.9N82 T85N82-V87 PolarHBondContact N-O 2.88Å; N82-V87 PolarHBondContact O-N 3.19Å; T85-V87 PolarHBondContact O-N 2.81Å; T85-V87 WeakPolarHBondContact OG1-CB 3.3Å; T85-V87 PolarHBondContact OG1-N 2.81Å
88S94.4Very high94.6Very high70 Ų7058.5 Ų58.549%0.4931%0.313SS..EExtended strand (participates in β ladder)trans-115.6134.9168.8-58.30000108.5L80L80-S88 VanDerWaalsContact O-CA 3.31Å; L80-S88 WeakPolarHBondContact O-CA 3.27Å
89E95.1Very high94.6Very high109 Ų10963.4 Ų63.451%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-137.4151.1176.765.8-178.5-174.400110.9T79 L80 F91T79-E89 WeakPolarHBondContact CA-O 3.37Å; T79-E89 WeakPolarHBondContact CG2-O 3.1Å; L80-E89 HydrophobicContact CB-CG 4.15Å; L80-E89 HydrophobicContact CD2-CG 4.37Å; L80-E89 PolarHBondContact N-O 3.38Å; L80-E89 PolarHBondContact O-N 2.97Å; E89-F91 PolarHBondContact O-N 2.89Å
90V94.3Very high94.5Very high93 Ų9363.5 Ų63.556%0.56434%0.336SS*.EExtended strand (participates in β ladder)trans-68.6118.6176-179.50000108.5T93V90-T93 HydrophobicContact CG1-CG2 3.96Å
91F94.3Very high94.4Very high14 Ų1470.1 Ų70.16%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-89.2-43.3-179.7-171.9-100.3000112.1L70 V78 L80 E89 L107 R137L70-F91 HydrophobicContact CD1-CD1 4Å; L70-F91 HydrophobicContact CD1-CE1 3.85Å; L70-F91 HydrophobicContact CD1-CZ 4.36Å; L70-F91 HydrophobicContact CD2-CB 3.92Å; L70-F91 HydrophobicContact CD2-CD1 3.63Å; L70-F91 HydrophobicContact CD2-CD2 3.79Å; L70-F91 HydrophobicContact CD2-CE1 4.08Å; L70-F91 HydrophobicContact CD2-CE2 4.17Å; L70-F91 HydrophobicContact CD2-CG 3.49Å; L70-F91 VanDerWaalsContact CD2-CG 3.49Å; L70-F91 HydrophobicContact CD2-CZ 4.33Å; L70-F91 HydrophobicContact CG-CD1 4.48Å; V78-F91 HydrophobicContact CG1-CB 4.27Å; V78-F91 HydrophobicContact CG1-CD1 4.27Å; V78-F91 WeakPolarHBondContact O-CA 3.15Å; V78-F91 VanDerWaalsContact O-CB 3.3Å; V78-F91 WeakPolarHBondContact O-CB 3.24Å; V78-F91 PolarHBondContact O-N 3.12Å; L80-F91 HydrophobicContact CB-CB 3.91Å; L80-F91 HydrophobicContact CB-CD2 3.9Å; L80-F91 HydrophobicContact CB-CG 4.27Å; L80-F91 HydrophobicContact CD2-CD2 4.11Å; E89-F91 PolarHBondContact O-N 2.89Å; F91-L107 HydrophobicContact CE1-CD1 4.06Å; F91-L107 HydrophobicContact CE1-CD2 4.29Å; F91-L107 HydrophobicContact CZ-CD1 3.64Å; F91-L107 HydrophobicContact CZ-CD2 3.71Å; F91-L107 HydrophobicContact CZ-CG 4.32Å; F91-R137 VanDerWaalsContact CE2-NH1 3.33Å
92L94.5Very high94.3Very high7 Ų770.4 Ų70.44%0.03737%0.37CS..EExtended strand (participates in β ladder)trans-137.6130.6171.6-65.2169.9000109.1V78 I97 F105 V114 F116V78-L92 HydrophobicContact CB-CB 4.03Å; V78-L92 HydrophobicContact CG2-CB 4.24Å; V78-L92 HydrophobicContact CG2-CD1 4.47Å; V78-L92 PolarHBondContact N-O 3.12Å; V78-L92 PolarHBondContact O-N 2.96Å; V78-L92 VanDerWaalsContact O-N 3.1Å; L92-I97 HydrophobicContact CB-CD1 4.29Å; L92-I97 HydrophobicContact CB-CG1 4.41Å; L92-F105 HydrophobicContact CD1-CD1 4.21Å; L92-F105 HydrophobicContact CD1-CD2 3.96Å; L92-F105 HydrophobicContact CD1-CE1 4.39Å; L92-F105 HydrophobicContact CD1-CE2 4.14Å; L92-F105 HydrophobicContact CD1-CG 4Å; L92-F105 HydrophobicContact CD1-CZ 4.35Å; L92-V114 HydrophobicContact CD1-CG1 4.2Å; L92-V114 HydrophobicContact CD2-CG2 4.41Å; L92-F116 HydrophobicContact CD1-CE1 3.99Å; L92-F116 HydrophobicContact CD1-CZ 4.18Å; L92-F116 HydrophobicContact CD2-CZ 3.91Å
93T94.3Very high94.2Very high70 Ų7072.9 Ų72.943%0.42938%0.379SS..  trans-78.9154.2175.962.30000110.8V90 D95 K96 I97V90-T93 HydrophobicContact CG1-CG2 3.96Å; T93-D95 VanDerWaalsContact C-N 3.25Å; T93-D95 PolarHBondContact O-N 2.9Å; T93-K96 PolarHBondContact O-N 3.1Å; T93-K96 WeakPolarHBondContact OG1-CB 3.23Å; T93-K96 PolarHBondContact OG1-N 2.9Å; T93-I97 PolarHBondContact O-N 2.91Å; T93-I97 VanDerWaalsContact O-N 3.12Å
94K94.1Very high94.2Very high88 Ų8874.1 Ų74.138%0.38339%0.386SS..Hα-helixtrans-53.8-44.4170.4-175.4-172.5-167151.70111.7D75 D76 K96 I97 N98D75-K94 VanDerWaalsContact O-CD 3.22Å; D75-K94 WeakPolarHBondContact O-CD 2.93Å; D75-K94 PolarHBondContact O-NZ 2.91Å; D76-K94 HydrophobicContact CB-CG 4.46Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 2.88Å; K94-I97 PolarHBondContact O-N 3.33Å; K94-I97 VanDerWaalsContact O-N 3.16Å; K94-N98 WeakPolarHBondContact O-CB 3.33Å; K94-N98 VanDerWaalsContact O-CG 3.29Å; K94-N98 PolarHBondContact O-N 3.04Å
95D94Very high94.3Very high126 Ų12668.3 Ų68.367%0.67436%0.36SS*.Hα-helixtrans-60.4-39.4180-66.6-19.5000111.9T93 N98 E99T93-D95 VanDerWaalsContact C-N 3.25Å; T93-D95 PolarHBondContact O-N 2.9Å; D95-N98 PolarHBondContact O-N 2.87Å; D95-E99 WeakPolarHBondContact O-CB 3.4Å; D95-E99 PolarHBondContact O-N 2.91Å
96K93.4Very high94.4Very high39 Ų3967.2 Ų67.217%0.1735%0.348CS..Hα-helixtrans-66.8-41.3176.5-174.358.561-173.10111.6T93 K94 N98 E99 H100 F116 Y135T93-K96 PolarHBondContact O-N 3.1Å; T93-K96 WeakPolarHBondContact OG1-CB 3.23Å; T93-K96 PolarHBondContact OG1-N 2.9Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 2.88Å; K96-N98 VanDerWaalsContact C-N 3.35Å; K96-E99 WeakPolarHBondContact CE-OE2 3.28Å; K96-E99 IonicContact NZ-OE1 3.96Å; K96-E99 IonicContact NZ-OE2 2.87Å; K96-E99 PolarHBondContact NZ-OE2 2.95Å; K96-E99 PolarHBondContact O-N 3.06Å; K96-H100 PolarHBondContact O-CD2 3.01Å; K96-H100 PolarHBondContact O-N 3.09Å; K96-F116 HydrophobicContact CG-CE2 4.32Å; K96-F116 HydrophobicContact CG-CZ 3.88Å; K96-Y135 HydrophobicContact CD-CD2 4.49Å; K96-Y135 HydrophobicContact CD-CE2 4.23Å
97I94.1Very high94.7Very high16 Ų1663.4 Ų63.48%0.08233%0.328CS..Hα-helixtrans-63.9-43.3176.3-67.6165.4000110.5D76 V78 L92 T93 K94 H100 Q101 A102 F116D76-I97 WeakPolarHBondContact O-CD1 3.43Å; V78-I97 HydrophobicContact CG2-CD1 3.99Å; L92-I97 HydrophobicContact CB-CD1 4.29Å; L92-I97 HydrophobicContact CB-CG1 4.41Å; T93-I97 PolarHBondContact O-N 2.91Å; T93-I97 VanDerWaalsContact O-N 3.12Å; K94-I97 PolarHBondContact O-N 3.33Å; K94-I97 VanDerWaalsContact O-N 3.16Å; I97-H100 CarbonylContact O-C 3.46Å; I97-H100 PolarHBondContact O-N 2.85Å; I97-Q101 PolarHBondContact O-N 3.38Å; I97-A102 HydrophobicContact CG2-CB 4.22Å; I97-A102 WeakPolarHBondContact CG2-O 3Å; I97-A102 PolarHBondContact O-N 3.23Å; I97-F116 HydrophobicContact CG1-CE1 4.09Å
98N94.7Very high94.9Very high85 Ų8559.8 Ų59.846%0.45531%0.306SS..Hα-helixtrans-67.9-36.9178.3-72.3-14.4000112.9K94 D95 K96 H100 Q101K94-N98 WeakPolarHBondContact O-CB 3.33Å; K94-N98 VanDerWaalsContact O-CG 3.29Å; K94-N98 PolarHBondContact O-N 3.04Å; D95-N98 PolarHBondContact O-N 2.87Å; K96-N98 VanDerWaalsContact C-N 3.35Å; N98-H100 PolarHBondContact O-N 2.82Å; N98-Q101 PolarHBondContact O-N 2.01Å
99E94.8Very high94.9Very high105 Ų10558.6 Ų58.649%0.49130%0.3SS..Hα-helixtrans-54.2-36.7173.5-177.3-170.815100111.1D95 K96 N142D95-E99 WeakPolarHBondContact O-CB 3.4Å; D95-E99 PolarHBondContact O-N 2.91Å; K96-E99 WeakPolarHBondContact CE-OE2 3.28Å; K96-E99 IonicContact NZ-OE1 3.96Å; K96-E99 IonicContact NZ-OE2 2.87Å; K96-E99 PolarHBondContact NZ-OE2 2.95Å; K96-E99 PolarHBondContact O-N 3.06Å; E99-N142 PolarHBondContact OE1-ND2 3.43Å
100H93.4Very high95Very high17 Ų1755.7 Ų55.78%0.07929%0.288CS..THydrogen-bonded Turntrans-92.61.3177.6-68.2-69.6000114.3K96 I97 N98 A102 F116 S118 N142K96-H100 PolarHBondContact O-CD2 3.01Å; K96-H100 PolarHBondContact O-N 3.09Å; I97-H100 CarbonylContact O-C 3.46Å; I97-H100 PolarHBondContact O-N 2.85Å; N98-H100 PolarHBondContact O-N 2.82Å; H100-A102 HydrophobicContact CB-CB 4.09Å; H100-A102 PolarHBondContact O-N 3.4Å; H100-A102 VanDerWaalsContact O-N 3.11Å; H100-F116 HydrophobicContact CB-CB 3.79Å; H100-F116 HydrophobicContact CB-CD1 4.36Å; H100-F116 HydrophobicContact CB-CD2 4.17Å; H100-F116 HydrophobicContact CB-CG 3.87Å; H100-F116 AromaticContact CD2-CD2 3.19Å; H100-F116 WeakPolarHBondContact CD2-CD2 2.97Å; H100-F116 AromaticContact CD2-CE2 3.28Å; H100-F116 WeakPolarHBondContact CD2-CE2 3.17Å; H100-F116 AromaticContact CD2-CG 3.75Å; H100-F116 AromaticContact CD2-CZ 3.92Å; H100-F116 AromaticContact CG-CD2 3.58Å; H100-F116 AromaticContact CG-CG 3.81Å; H100-F116 AromaticContact NE2-CD2 3.53Å; H100-F116 AromaticContact NE2-CE2 3.51Å; H100-S118 WeakPolarHBondContact O-CB 3.42Å; H100-N142 VanDerWaalsContact CE1-CG 3.5Å; H100-N142 PolarHBondContact CE1-OD1 3.34Å; H100-N142 PolarHBondContact NE2-OD1 3.43Å
101Q95.3Very high95Very high151 Ų15154.9 Ų54.971%0.70628%0.275SS*.THydrogen-bonded Turntrans48.837.8-173.6-57.5179.5-6.900111.9I97 N98 S118I97-Q101 PolarHBondContact O-N 3.38Å; N98-Q101 PolarHBondContact O-N 2.01Å; Q101-S118 WeakPolarHBondContact O-CB 3.29Å
102A95.8Very high95.1Very high14 Ų1457.6 Ų57.612%0.11629%0.287CS..  trans-87.2127-166.200000111.4I97 H100 F116 M117I97-A102 HydrophobicContact CG2-CB 4.22Å; I97-A102 WeakPolarHBondContact CG2-O 3Å; I97-A102 PolarHBondContact O-N 3.23Å; H100-A102 HydrophobicContact CB-CB 4.09Å; H100-A102 PolarHBondContact O-N 3.4Å; H100-A102 VanDerWaalsContact O-N 3.11Å; A102-F116 HydrophobicContact CB-CB 3.84Å; A102-F116 HydrophobicContact CB-CD1 3.72Å; A102-F116 HydrophobicContact CB-CG 4.19Å; A102-M117 CarbonylContact C-O 3.58Å; A102-M117 WeakPolarHBondContact CA-O 3.3Å
103F94.6Very high95.2Very high84 Ų8458.4 Ų58.437%0.36829%0.29SS..SBendtrans-83.6-26.217269.2-91.1000111.9M117 Y120 F128 A130F103-M117 HydrophobicContact CD1-CB 4.35Å; F103-M117 WeakPolarHBondContact CD1-O 3.34Å; F103-M117 VanDerWaalsContact CE1-C 3.49Å; F103-M117 HydrophobicContact CE1-CB 3.71Å; F103-M117 WeakPolarHBondContact CE1-O 3.2Å; F103-M117 HydrophobicContact CE2-CB 4.31Å; F103-M117 HydrophobicContact CE2-CE 3.95Å; F103-M117 HydrophobicContact CZ-CB 3.71Å; F103-M117 HydrophobicContact CZ-CE 3.64Å; F103-M117 PolarHBondContact N-O 2.72Å; F103-Y120 HydrophobicContact CE1-CD2 4.26Å; F103-Y120 HydrophobicContact CE1-CG 4.38Å; F103-Y120 AromaticContact CE2-CD2 3.92Å; F103-Y120 HydrophobicContact CE2-CD2 3.92Å; F103-Y120 AromaticContact CZ-CD2 3.68Å; F103-Y120 HydrophobicContact CZ-CD2 3.68Å; F103-Y120 HydrophobicContact CZ-CG 4.23Å; F103-F128 HydrophobicContact CZ-CE2 4.34Å; F103-A130 HydrophobicContact CE1-CB 4.24Å; F103-A130 HydrophobicContact CZ-CB 4.34Å
104D94.8Very high95.4Very high48 Ų4855.1 Ų55.126%0.25727%0.269SS..EExtended strand (participates in β ladder)trans-153.5176175.6-160.60.4000111R62 M117R62-D104 IonicContact CZ-OD1 2.75Å; R62-D104 IonicContact CZ-OD2 3.52Å; R62-D104 IonicContact NH1-OD1 3.42Å; R62-D104 PolarHBondContact NH1-OD1 2.84Å; R62-D104 IonicContact NH1-OD2 3.68Å; R62-D104 VanDerWaalsContact NH2-CG 3.34Å; R62-D104 IonicContact NH2-OD1 3.21Å; R62-D104 PolarHBondContact NH2-OD1 2.83Å; R62-D104 VanDerWaalsContact NH2-OD1 3.09Å; R62-D104 IonicContact NH2-OD2 3.28Å; R62-D104 PolarHBondContact NH2-OD2 3.3Å; D104-M117 HydrophobicContact CB-SD 4.33Å; D104-M117 WeakPolarHBondContact O-CB 3.22Å; D104-M117 PolarHBondContact O-N 3.32Å
105F95.8Very high95.5Very high19 Ų1950.9 Ų50.98%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-146.4157.8177.570.5-83.3000113.1R62 L70 V78 L92 V114 A115 F116R62-F105 PolarHBondContact NH1-O 3.47Å; L70-F105 HydrophobicContact CD1-CE2 3.79Å; L70-F105 HydrophobicContact CD1-CZ 4.01Å; V78-F105 HydrophobicContact CB-CZ 4.48Å; V78-F105 HydrophobicContact CG1-CE1 4.28Å; V78-F105 HydrophobicContact CG1-CZ 3.83Å; V78-F105 HydrophobicContact CG2-CD1 4.39Å; V78-F105 HydrophobicContact CG2-CE1 3.53Å; V78-F105 HydrophobicContact CG2-CZ 3.95Å; L92-F105 HydrophobicContact CD1-CD1 4.21Å; L92-F105 HydrophobicContact CD1-CD2 3.96Å; L92-F105 HydrophobicContact CD1-CE1 4.39Å; L92-F105 HydrophobicContact CD1-CE2 4.14Å; L92-F105 HydrophobicContact CD1-CG 4Å; L92-F105 HydrophobicContact CD1-CZ 4.35Å; F105-V114 HydrophobicContact CB-CG1 3.81Å; F105-V114 HydrophobicContact CD2-CG1 4.1Å; F105-V114 HydrophobicContact CG-CG1 4.31Å; F105-A115 CarbonylContact C-O 3.59Å; F105-A115 VanDerWaalsContact CA-O 3.22Å; F105-A115 WeakPolarHBondContact CA-O 3.34Å; F105-F116 HydrophobicContact CB-CD1 4.06Å; F105-F116 HydrophobicContact CB-CE1 4.38Å
106K96.2Very high95.7Very high65 Ų6545 Ų4528%0.28322%0.219SC..EExtended strand (participates in β ladder)trans-125.9128.6172.4-66.7-176.9176.4-145.80111A115 M117 F155 W157K106-A115 HydrophobicContact CB-CB 4.42Å; K106-A115 PolarHBondContact N-O 3.27Å; K106-A115 PolarHBondContact O-N 2.91Å; K106-M117 HydrophobicContact CD-SD 4.21Å; K106-M117 HydrophobicContact CG-SD 4Å; K106-F155 HydrophobicContact CD-CD1 3.97Å; K106-F155 HydrophobicContact CD-CE1 4.48Å; K106-F155 PolarHBondContact NZ-O 3.24Å; K106-W157 PolarHBondContact O-NE1 3.09Å
107L96.8Very high95.9Very high33 Ų3343.3 Ų43.317%0.17321%0.212CC..EExtended strand (participates in β ladder)trans-91.2135.6178-17565000110.7I64 L70 F91 R111 Y113 V114I64-L107 HydrophobicContact CD1-CD2 4.49Å; I64-L107 HydrophobicContact CG2-CD2 4.01Å; L70-L107 HydrophobicContact CD1-CD2 4.22Å; F91-L107 HydrophobicContact CE1-CD1 4.06Å; F91-L107 HydrophobicContact CE1-CD2 4.29Å; F91-L107 HydrophobicContact CZ-CD1 3.64Å; F91-L107 HydrophobicContact CZ-CD2 3.71Å; F91-L107 HydrophobicContact CZ-CG 4.32Å; L107-R111 HydrophobicContact CD1-CB 4.42Å; L107-R111 HydrophobicContact CD2-CB 4.23Å; L107-R111 HydrophobicContact CD2-CG 4.16Å; L107-R111 HydrophobicContact CG-CB 4.49Å; L107-Y113 WeakPolarHBondContact CD1-O 3.13Å; L107-V114 HydrophobicContact CD1-CG2 3.86Å
108S97.6Very high96Very high2 Ų243 Ų431%0.01421%0.211CC..  trans-65.4154171.6630000111.5D110 R111 K112 Y113S108-D110 VanDerWaalsContact C-N 3.27Å; S108-D110 WeakPolarHBondContact CB-OD1 3.25Å; S108-D110 PolarHBondContact O-N 3.28Å; S108-D110 PolarHBondContact OG-OD1 3.27Å; S108-R111 WeakPolarHBondContact O-CA 3Å; S108-R111 PolarHBondContact O-N 2.97Å; S108-R111 PolarHBondContact OG-N 2.99Å; S108-K112 PolarHBondContact OG-N 3.47Å; S108-Y113 PolarHBondContact N-O 3.09Å; S108-Y113 PolarHBondContact OG-N 3.36Å; S108-Y113 PolarHBondContact OG-O 2.73Å
109A95.9Very high96.2Very high45 Ų4543.9 Ų43.937%0.37222%0.216SC..THydrogen-bonded Turntrans-62.6-33.6-177.500000113.1R111 P159 G161A109-R111 PolarHBondContact O-N 2.91Å; A109-P159 VanDerWaalsContact CB-C 3.45Å; A109-P159 WeakPolarHBondContact CB-O 3.39Å; A109-G161 WeakPolarHBondContact CB-O 3.16Å; A109-G161 PolarHBondContact N-O 3.31Å
110D95.9Very high96.3Very high49 Ų4944.6 Ų44.626%0.26222%0.215SC..THydrogen-bonded Turntrans-76.6-3.1172.371.1-2.7000114.4S108 K112 G161 N162S108-D110 VanDerWaalsContact C-N 3.27Å; S108-D110 WeakPolarHBondContact CB-OD1 3.25Å; S108-D110 PolarHBondContact O-N 3.28Å; S108-D110 PolarHBondContact OG-OD1 3.27Å; D110-K112 HydrophobicContact CB-CG 4.37Å; D110-K112 PolarHBondContact O-N 2.94Å; D110-K112 VanDerWaalsContact O-N 3.14Å; D110-K112 PolarHBondContact OD1-N 2.84Å; D110-K112 VanDerWaalsContact OD1-N 3.09Å; D110-K112 WeakPolarHBondContact OD2-CD 3.29Å; D110-G161 PolarHBondContact N-O 2.73Å; D110-N162 WeakPolarHBondContact OD2-CB 3.33Å
111R94.6Very high96.4Very high76 Ų7648.5 Ų48.529%0.28724%0.237SC..SBendtrans63.59.6178.8-45.2177.6-176.3-177.5-0.4115.7I64 E68 L107 S108 A109 R137I64-R111 PolarHBondContact O-NH2 2.71Å; E68-R111 VanDerWaalsContact CD-NH1 3.34Å; E68-R111 IonicContact OE1-NH1 3.94Å; E68-R111 PolarHBondContact OE1-NH1 2.97Å; E68-R111 IonicContact OE2-CZ 2.81Å; E68-R111 VanDerWaalsContact OE2-CZ 3.29Å; E68-R111 IonicContact OE2-NH1 3.62Å; E68-R111 PolarHBondContact OE2-NH1 3.44Å; E68-R111 IonicContact OE2-NH2 2.93Å; E68-R111 PolarHBondContact OE2-NH2 2.87Å; L107-R111 HydrophobicContact CD1-CB 4.42Å; L107-R111 HydrophobicContact CD2-CB 4.23Å; L107-R111 HydrophobicContact CD2-CG 4.16Å; L107-R111 HydrophobicContact CG-CB 4.49Å; S108-R111 WeakPolarHBondContact O-CA 3Å; S108-R111 PolarHBondContact O-N 2.97Å; S108-R111 PolarHBondContact OG-N 2.99Å; A109-R111 PolarHBondContact O-N 2.91Å; R111-R137 PolarHBondContact O-NH1 3.42Å
112K95.9Very high96.3Very high71 Ų7144.7 Ų44.731%0.30922%0.218SC..SBendtrans-81.7-27-179-64.6-174.2176.4-122.50112.5S108 D110 R137 E138S108-K112 PolarHBondContact OG-N 3.47Å; D110-K112 HydrophobicContact CB-CG 4.37Å; D110-K112 PolarHBondContact O-N 2.94Å; D110-K112 VanDerWaalsContact O-N 3.14Å; D110-K112 PolarHBondContact OD1-N 2.84Å; D110-K112 VanDerWaalsContact OD1-N 3.09Å; D110-K112 WeakPolarHBondContact OD2-CD 3.29Å; K112-R137 WeakPolarHBondContact O-CB 3.29Å; K112-R137 PolarHBondContact O-N 3.47Å; K112-E138 VanDerWaalsContact CE-OE1 3.26Å; K112-E138 WeakPolarHBondContact CE-OE1 2.96Å; K112-E138 HydrophobicContact CG-CG 4.44Å; K112-E138 IonicContact NZ-OE1 3.34Å; K112-E138 PolarHBondContact NZ-OE1 3.42Å; K112-E138 IonicContact NZ-OE2 2.77Å; K112-E138 PolarHBondContact NZ-OE2 3.21Å
113Y97.3Very high96.2Very high24 Ų2446.6 Ų46.69%0.09423%0.228CC..EExtended strand (participates in β ladder)trans-126.2140.8-171.3-59.8-86.7000112.6L107 S108 Y135 D136 I143 N162 P178L107-Y113 WeakPolarHBondContact CD1-O 3.13Å; S108-Y113 PolarHBondContact N-O 3.09Å; S108-Y113 PolarHBondContact OG-N 3.36Å; S108-Y113 PolarHBondContact OG-O 2.73Å; Y113-Y135 CarbonylContact C-O 3.58Å; Y113-Y135 VanDerWaalsContact CA-O 3.25Å; Y113-Y135 WeakPolarHBondContact CA-O 3.44Å; Y113-D136 HydrophobicContact CD1-CB 4.03Å; Y113-D136 HydrophobicContact CE1-CB 3.77Å; Y113-I143 HydrophobicContact CD1-CD1 3.81Å; Y113-I143 HydrophobicContact CE1-CD1 3.78Å; Y113-N162 HydrophobicContact CD2-CB 3.84Å; Y113-N162 HydrophobicContact CE2-CB 4.18Å; Y113-N162 WeakPolarHBondContact CE2-ND2 3.29Å; Y113-P178 HydrophobicContact CD1-CB 3.96Å; Y113-P178 HydrophobicContact CD1-CG 3.69Å; Y113-P178 HydrophobicContact CD2-CG 3.77Å; Y113-P178 HydrophobicContact CE1-CB 4.02Å; Y113-P178 HydrophobicContact CE1-CG 3.87Å; Y113-P178 HydrophobicContact CE2-CG 4.01Å; Y113-P178 HydrophobicContact CG-CB 4.36Å; Y113-P178 HydrophobicContact CG-CG 3.61Å
114V97.6Very high96.2Very high0 Ų045.1 Ų45.10%022%0.22CC..EExtended strand (participates in β ladder)trans-115.9130.3172.8178.40000108.3L92 F105 L107 F116 L134 Y135 R137L92-V114 HydrophobicContact CD1-CG1 4.2Å; L92-V114 HydrophobicContact CD2-CG2 4.41Å; F105-V114 HydrophobicContact CB-CG1 3.81Å; F105-V114 HydrophobicContact CD2-CG1 4.1Å; F105-V114 HydrophobicContact CG-CG1 4.31Å; L107-V114 HydrophobicContact CD1-CG2 3.86Å; V114-F116 HydrophobicContact CB-CE2 4.28Å; V114-F116 HydrophobicContact CB-CZ 4.47Å; V114-F116 HydrophobicContact CG1-CD1 4.17Å; V114-F116 HydrophobicContact CG1-CD2 4.1Å; V114-F116 HydrophobicContact CG1-CE1 3.96Å; V114-F116 HydrophobicContact CG1-CE2 3.89Å; V114-F116 HydrophobicContact CG1-CG 4.24Å; V114-F116 HydrophobicContact CG1-CZ 3.82Å; V114-L134 CarbonylContact O-C 3.57Å; V114-L134 WeakPolarHBondContact O-CA 3.46Å; V114-Y135 HydrophobicContact CB-CD1 4.41Å; V114-Y135 PolarHBondContact N-O 2.81Å; V114-Y135 PolarHBondContact O-N 2.69Å; V114-R137 HydrophobicContact CG2-CG 3.92Å
115A97.8Very high96.1Very high0 Ų049.1 Ų49.10%023%0.231CC..EExtended strand (participates in β ladder)trans-97.8107.9166.100000108.4F105 K106 Y132 S133 L134 F155 W157F105-A115 CarbonylContact C-O 3.59Å; F105-A115 VanDerWaalsContact CA-O 3.22Å; F105-A115 WeakPolarHBondContact CA-O 3.34Å; K106-A115 HydrophobicContact CB-CB 4.42Å; K106-A115 PolarHBondContact N-O 3.27Å; K106-A115 PolarHBondContact O-N 2.91Å; A115-Y132 HydrophobicContact CB-CD1 4.34Å; A115-S133 WeakPolarHBondContact CA-O 3.32Å; A115-L134 HydrophobicContact CB-CD2 3.63Å; A115-F155 HydrophobicContact CB-CE1 3.73Å; A115-F155 HydrophobicContact CB-CZ 3.74Å; A115-W157 HydrophobicContact CB-CZ2 3.8Å
116F97.5Very high96.1Very high1 Ų151.3 Ų51.30%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-80.6131.9173-71.4-72.1000110.3L92 K96 I97 H100 A102 F105 V114 Y132 S133 Y135L92-F116 HydrophobicContact CD1-CE1 3.99Å; L92-F116 HydrophobicContact CD1-CZ 4.18Å; L92-F116 HydrophobicContact CD2-CZ 3.91Å; K96-F116 HydrophobicContact CG-CE2 4.32Å; K96-F116 HydrophobicContact CG-CZ 3.88Å; I97-F116 HydrophobicContact CG1-CE1 4.09Å; H100-F116 HydrophobicContact CB-CB 3.79Å; H100-F116 HydrophobicContact CB-CD1 4.36Å; H100-F116 HydrophobicContact CB-CD2 4.17Å; H100-F116 HydrophobicContact CB-CG 3.87Å; H100-F116 AromaticContact CD2-CD2 3.19Å; H100-F116 WeakPolarHBondContact CD2-CD2 2.97Å; H100-F116 AromaticContact CD2-CE2 3.28Å; H100-F116 WeakPolarHBondContact CD2-CE2 3.17Å; H100-F116 AromaticContact CD2-CG 3.75Å; H100-F116 AromaticContact CD2-CZ 3.92Å; H100-F116 AromaticContact CG-CD2 3.58Å; H100-F116 AromaticContact CG-CG 3.81Å; H100-F116 AromaticContact NE2-CD2 3.53Å; H100-F116 AromaticContact NE2-CE2 3.51Å; A102-F116 HydrophobicContact CB-CB 3.84Å; A102-F116 HydrophobicContact CB-CD1 3.72Å; A102-F116 HydrophobicContact CB-CG 4.19Å; F105-F116 HydrophobicContact CB-CD1 4.06Å; F105-F116 HydrophobicContact CB-CE1 4.38Å; V114-F116 HydrophobicContact CB-CE2 4.28Å; V114-F116 HydrophobicContact CB-CZ 4.47Å; V114-F116 HydrophobicContact CG1-CD1 4.17Å; V114-F116 HydrophobicContact CG1-CD2 4.1Å; V114-F116 HydrophobicContact CG1-CE1 3.96Å; V114-F116 HydrophobicContact CG1-CE2 3.89Å; V114-F116 HydrophobicContact CG1-CG 4.24Å; V114-F116 HydrophobicContact CG1-CZ 3.82Å; F116-Y132 WeakPolarHBondContact O-CA 3.35Å; F116-S133 PolarHBondContact N-O 3.21Å; F116-S133 PolarHBondContact O-N 2.96Å; F116-Y135 HydrophobicContact CE2-CD1 4.2Å; F116-Y135 HydrophobicContact CE2-CG 4Å
117M97.5Very high96.1Very high4 Ų449 Ų492%0.0223%0.233CC..EExtended strand (participates in β ladder)trans-104121.6-176.9-59175.548.700109.2A102 F103 D104 K106 F128 Y132A102-M117 CarbonylContact C-O 3.58Å; A102-M117 WeakPolarHBondContact CA-O 3.3Å; F103-M117 HydrophobicContact CD1-CB 4.35Å; F103-M117 WeakPolarHBondContact CD1-O 3.34Å; F103-M117 VanDerWaalsContact CE1-C 3.49Å; F103-M117 HydrophobicContact CE1-CB 3.71Å; F103-M117 WeakPolarHBondContact CE1-O 3.2Å; F103-M117 HydrophobicContact CE2-CB 4.31Å; F103-M117 HydrophobicContact CE2-CE 3.95Å; F103-M117 HydrophobicContact CZ-CB 3.71Å; F103-M117 HydrophobicContact CZ-CE 3.64Å; F103-M117 PolarHBondContact N-O 2.72Å; D104-M117 HydrophobicContact CB-SD 4.33Å; D104-M117 WeakPolarHBondContact O-CB 3.22Å; D104-M117 PolarHBondContact O-N 3.32Å; K106-M117 HydrophobicContact CD-SD 4.21Å; K106-M117 HydrophobicContact CG-SD 4Å; M117-F128 HydrophobicContact CE-CE2 3.56Å; M117-F128 HydrophobicContact CE-CZ 3.62Å; M117-Y132 HydrophobicContact CE-CE1 4.26Å; M117-Y132 HydrophobicContact CG-CD1 3.89Å; M117-Y132 HydrophobicContact CG-CE1 3.48Å; M117-Y132 VanDerWaalsContact CG-CE1 3.48Å; M117-Y132 HydrophobicContact SD-CE1 3.96Å
118S97.3Very high96.1Very high9 Ų949.1 Ų49.16%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-133.5174.4-178.656.50000110.2H100 Q101 Y120 A130 S131H100-S118 WeakPolarHBondContact O-CB 3.42Å; Q101-S118 WeakPolarHBondContact O-CB 3.29Å; S118-Y120 VanDerWaalsContact C-N 3.32Å; S118-Y120 PolarHBondContact O-N 3.06Å; S118-A130 WeakPolarHBondContact O-CA 3.47Å; S118-A130 WeakPolarHBondContact O-CB 3.48Å; S118-S131 PolarHBondContact N-O 3.26Å; S118-S131 PolarHBondContact O-N 3.37Å; S118-S131 PolarHBondContact OG-O 3.07Å
119N96.9Very high96.2Very high104 Ų10450 Ų5056%0.55624%0.238SC*.EExtended strand (participates in β ladder)trans51.747.7178.5-58.3-31.3000113.4N121 S131N119-N121 PolarHBondContact O-N 2.92Å; N119-S131 PolarHBondContact ND2-OG 3.28Å
120Y97.1Very high96.3Very high121 Ų12148 Ų4848%0.47522%0.221SC..EExtended strand (participates in β ladder)trans-58.3125.2177177.6-95.2000110.7F103 S118 K122 F128F103-Y120 HydrophobicContact CE1-CD2 4.26Å; F103-Y120 HydrophobicContact CE1-CG 4.38Å; F103-Y120 AromaticContact CE2-CD2 3.92Å; F103-Y120 HydrophobicContact CE2-CD2 3.92Å; F103-Y120 AromaticContact CZ-CD2 3.68Å; F103-Y120 HydrophobicContact CZ-CD2 3.68Å; F103-Y120 HydrophobicContact CZ-CG 4.23Å; S118-Y120 VanDerWaalsContact C-N 3.32Å; S118-Y120 PolarHBondContact O-N 3.06Å; Y120-K122 HydrophobicContact CE1-CB 3.92Å; Y120-F128 HydrophobicContact CD2-CB 3.93Å; Y120-F128 AromaticContact CD2-CD2 3.8Å; Y120-F128 HydrophobicContact CD2-CD2 3.8Å; Y120-F128 AromaticContact CD2-CG 3.86Å; Y120-F128 HydrophobicContact CD2-CG 3.86Å; Y120-F128 HydrophobicContact CE2-CB 3.39Å; Y120-F128 AromaticContact CE2-CD1 3.89Å; Y120-F128 HydrophobicContact CE2-CD1 3.89Å; Y120-F128 AromaticContact CE2-CD2 3.87Å; Y120-F128 HydrophobicContact CE2-CD2 3.87Å; Y120-F128 AromaticContact CE2-CG 3.43Å; Y120-F128 HydrophobicContact CE2-CG 3.43Å; Y120-F128 VanDerWaalsContact CE2-CG 3.43Å
121N95.9Very high96.4Very high99 Ų9946.2 Ų46.253%0.52921%0.213SC..EExtended strand (participates in β ladder)trans-133.9110.2170.2179.650.6000109.7N119 F128 T129N119-N121 PolarHBondContact O-N 2.92Å; N121-F128 CarbonylContact O-C 3.43Å; N121-F128 WeakPolarHBondContact O-CA 3.36Å; N121-F128 WeakPolarHBondContact O-CB 3.28Å; N121-T129 PolarHBondContact N-O 3.15Å; N121-T129 PolarHBondContact O-N 3.05Å
122K94.3Very high96.5Very high70 Ų7043.2 Ų43.230%0.30420%0.201SC..EExtended strand (participates in β ladder)trans-59.8141.3177.4-173.3-176178.7-1680109.7Y120 W124 D720 D724Y120-K122 HydrophobicContact CE1-CB 3.92Å; K122-W124 WeakPolarHBondContact CE-O 3.46Å; K122-W124 WeakPolarHBondContact CG-O 3.37Å; K122-D720 IonicContact NZ-OD2 3.4Å; K122-D720 PolarHBondContact NZ-OD2 3.47Å; K122-D724 IonicContact NZ-OD2 3.87Å; K122-D724 PolarHBondContact NZ-OD2 2.84Å
123V93.7Very high96.5Very high55 Ų5542 Ų4233%0.33320%0.202SC..  trans-109.6-76.4173178.20000108S127 T129V123-S127 WeakPolarHBondContact CB-OG 3.46Å; V123-S127 PolarHBondContact N-O 3.09Å; V123-T129 HydrophobicContact CG2-CG2 4.26Å
124W93.8Very high96.5Very high52 Ų5240.9 Ų40.920%0.19720%0.198CC..SBendtrans-114.6-137.6174.8-45.4129.7000111.2K122 S127 W201 I252 D690K122-W124 WeakPolarHBondContact CE-O 3.46Å; K122-W124 WeakPolarHBondContact CG-O 3.37Å; W124-S127 PolarHBondContact N-OG 2.94Å; W124-W201 AromaticContact CD1-CD1 3.85Å; W124-W201 AromaticContact CD2-CD1 3.69Å; W124-W201 AromaticContact CE2-CD1 3.85Å; W124-W201 AromaticContact CG-CD1 3.75Å; W124-W201 AromaticContact NE1-CD1 3.89Å; W124-I252 HydrophobicContact CE3-CD1 4.49Å; W124-I252 HydrophobicContact CH2-CD1 3.2Å; W124-I252 HydrophobicContact CH2-CG1 3.63Å; W124-I252 HydrophobicContact CZ2-CD1 3.85Å; W124-I252 HydrophobicContact CZ2-CG1 3.98Å; W124-I252 HydrophobicContact CZ2-CG2 4.17Å; W124-I252 HydrophobicContact CZ3-CD1 3.58Å; W124-I252 HydrophobicContact CZ3-CG1 4.47Å; W124-D690 HydrophobicContact CE3-CB 3.77Å; W124-D690 HydrophobicContact CZ3-CB 3.7Å
125R93.3Very high96.5Very high133 Ų13341.9 Ų41.950%0.50220%0.201SC..SBendtrans-71.2-44.8-178.2-178.5179.3-65.5-125.3-1.3113.1E204 E205 N691R125-E204 PolarHBondContact N-OE1 2.89Å; R125-E205 WeakPolarHBondContact CB-OE2 3.3Å; R125-E205 VanDerWaalsContact CD-OE2 3.31Å; R125-E205 WeakPolarHBondContact CD-OE2 3.49Å; R125-E205 IonicContact CZ-OE1 2.82Å; R125-E205 IonicContact CZ-OE2 3.69Å; R125-E205 IonicContact NE-OE1 2.74Å; R125-E205 PolarHBondContact NE-OE1 2.96Å; R125-E205 IonicContact NE-OE2 2.67Å; R125-E205 PolarHBondContact NE-OE2 3.15Å; R125-E205 IonicContact NH1-OE1 3.68Å; R125-E205 IonicContact NH2-OE1 2.76Å; R125-E205 PolarHBondContact NH2-OE1 2.89Å; R125-E205 IonicContact NH2-OE2 3.6Å; R125-N691 PolarHBondContact NH2-ND2 2.94Å
126H95.3Very high96.4Very high65 Ų6542.2 Ų42.230%0.30120%0.203SC..SBendtrans-115-29.9-174.1-61.7-73.4000112E204 S209 N211H126-E204 WeakPolarHBondContact CA-OE1 3.22Å; H126-E204 HydrophobicContact CB-CG 4.16Å; H126-E204 WeakPolarHBondContact CB-OE1 3.33Å; H126-E204 PolarHBondContact N-OE1 2.87Å; H126-S209 PolarHBondContact CE1-O 3.27Å; H126-S209 VanDerWaalsContact CE1-O 3.29Å; H126-S209 VanDerWaalsContact NE2-C 3.32Å; H126-S209 PolarHBondContact NE2-O 2.83Å; H126-N211 HydrophobicContact CB-CB 4.31Å
127S96.5Very high96.2Very high15 Ų1545.7 Ų45.711%0.10522%0.216CC..  trans-75.8145.3-179.750.90000112.6V123 W124 E204V123-S127 WeakPolarHBondContact CB-OG 3.46Å; V123-S127 PolarHBondContact N-O 3.09Å; W124-S127 PolarHBondContact N-OG 2.94Å; S127-E204 WeakPolarHBondContact CB-OE2 3.47Å; S127-E204 PolarHBondContact N-OE1 3.46Å; S127-E204 VanDerWaalsContact OG-CD 3.23Å; S127-E204 PolarHBondContact OG-OE1 2.81Å; S127-E204 VanDerWaalsContact OG-OE1 3.06Å; S127-E204 PolarHBondContact OG-OE2 3.47Å
128F97.2Very high95.9Very high37 Ų3751.8 Ų51.816%0.16225%0.245CC..EExtended strand (participates in β ladder)trans-155.3159.1172.660.7-88.5000107.7F103 M117 Y120 N121 A130F103-F128 HydrophobicContact CZ-CE2 4.34Å; M117-F128 HydrophobicContact CE-CE2 3.56Å; M117-F128 HydrophobicContact CE-CZ 3.62Å; Y120-F128 HydrophobicContact CD2-CB 3.93Å; Y120-F128 AromaticContact CD2-CD2 3.8Å; Y120-F128 HydrophobicContact CD2-CD2 3.8Å; Y120-F128 AromaticContact CD2-CG 3.86Å; Y120-F128 HydrophobicContact CD2-CG 3.86Å; Y120-F128 HydrophobicContact CE2-CB 3.39Å; Y120-F128 AromaticContact CE2-CD1 3.89Å; Y120-F128 HydrophobicContact CE2-CD1 3.89Å; Y120-F128 AromaticContact CE2-CD2 3.87Å; Y120-F128 HydrophobicContact CE2-CD2 3.87Å; Y120-F128 AromaticContact CE2-CG 3.43Å; Y120-F128 HydrophobicContact CE2-CG 3.43Å; Y120-F128 VanDerWaalsContact CE2-CG 3.43Å; N121-F128 CarbonylContact O-C 3.43Å; N121-F128 WeakPolarHBondContact O-CA 3.36Å; N121-F128 WeakPolarHBondContact O-CB 3.28Å; F128-A130 HydrophobicContact CD2-CB 4.11Å; F128-A130 HydrophobicContact CE2-CB 4.06Å
129T98.2Very high95.8Very high21 Ų2153.9 Ų53.913%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-103.5151.1165.455.50000109.8N121 V123 V151 V152 Q153N121-T129 PolarHBondContact N-O 3.15Å; N121-T129 PolarHBondContact O-N 3.05Å; V123-T129 HydrophobicContact CG2-CG2 4.26Å; T129-V151 HydrophobicContact CG2-CG1 3.85Å; T129-V152 VanDerWaalsContact CA-O 3.25Å; T129-V152 WeakPolarHBondContact CA-O 3.41Å; T129-Q153 HydrophobicContact CG2-CG 4Å
130A98.1Very high95.6Very high2 Ų256 Ų562%0.01727%0.266CS..EExtended strand (participates in β ladder)trans-153.8160177.300000111.3F103 S118 F128 Y132 D150 V152F103-A130 HydrophobicContact CE1-CB 4.24Å; F103-A130 HydrophobicContact CZ-CB 4.34Å; S118-A130 WeakPolarHBondContact O-CA 3.47Å; S118-A130 WeakPolarHBondContact O-CB 3.48Å; F128-A130 HydrophobicContact CD2-CB 4.11Å; F128-A130 HydrophobicContact CE2-CB 4.06Å; A130-Y132 HydrophobicContact CB-CE2 3.86Å; A130-Y132 WeakPolarHBondContact O-CD2 3.35Å; A130-Y132 WeakPolarHBondContact O-CE2 3.36Å; A130-D150 CarbonylContact C-O 3.36Å; A130-V152 PolarHBondContact N-O 2.92Å; A130-V152 WeakPolarHBondContact O-CB 3.36Å; A130-V152 PolarHBondContact O-N 2.84Å
131S97.9Very high95.5Very high11 Ų1157 Ų578%0.07727%0.273CS..EExtended strand (participates in β ladder)trans-93.5139.3168.6-48.50000110.5S118 N119 D150S118-S131 PolarHBondContact N-O 3.26Å; S118-S131 PolarHBondContact O-N 3.37Å; S118-S131 PolarHBondContact OG-O 3.07Å; N119-S131 PolarHBondContact ND2-OG 3.28Å; S131-D150 WeakPolarHBondContact CA-O 3.33Å; S131-D150 VanDerWaalsContact CB-O 3.29Å; S131-D150 WeakPolarHBondContact CB-O 3.4Å; S131-D150 PolarHBondContact N-O 2.84Å; S131-D150 PolarHBondContact OG-O 2.93Å
132Y97.3Very high95.3Very high13 Ų1355.1 Ų55.15%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-118.4105.3-174.8-68.5-96.6000112A115 F116 M117 A130 V152 F155A115-Y132 HydrophobicContact CB-CD1 4.34Å; F116-Y132 WeakPolarHBondContact O-CA 3.35Å; M117-Y132 HydrophobicContact CE-CE1 4.26Å; M117-Y132 HydrophobicContact CG-CD1 3.89Å; M117-Y132 HydrophobicContact CG-CE1 3.48Å; M117-Y132 VanDerWaalsContact CG-CE1 3.48Å; M117-Y132 HydrophobicContact SD-CE1 3.96Å; A130-Y132 HydrophobicContact CB-CE2 3.86Å; A130-Y132 WeakPolarHBondContact O-CD2 3.35Å; A130-Y132 WeakPolarHBondContact O-CE2 3.36Å; Y132-V152 HydrophobicContact CD2-CB 3.64Å; Y132-V152 HydrophobicContact CD2-CG1 3.86Å; Y132-V152 HydrophobicContact CD2-CG2 4.06Å; Y132-V152 HydrophobicContact CE2-CB 3.6Å; Y132-V152 HydrophobicContact CE2-CG1 3.56Å; Y132-V152 HydrophobicContact CE2-CG2 4.5Å; Y132-F155 HydrophobicContact CD1-CB 3.9Å; Y132-F155 HydrophobicContact CD1-CD1 4.04Å; Y132-F155 AromaticContact CD1-CD2 3.89Å; Y132-F155 HydrophobicContact CD1-CD2 3.89Å; Y132-F155 HydrophobicContact CD1-CE2 4.44Å; Y132-F155 AromaticContact CD1-CG 3.68Å; Y132-F155 HydrophobicContact CD1-CG 3.68Å; Y132-F155 HydrophobicContact CD2-CB 4.36Å; Y132-F155 HydrophobicContact CE1-CB 3.38Å; Y132-F155 AromaticContact CE1-CD1 3.93Å; Y132-F155 HydrophobicContact CE1-CD1 3.93Å; Y132-F155 HydrophobicContact CE1-CD2 4.27Å; Y132-F155 AromaticContact CE1-CG 3.61Å; Y132-F155 HydrophobicContact CE1-CG 3.61Å; Y132-F155 HydrophobicContact CE2-CB 3.91Å; Y132-F155 HydrophobicContact CG-CB 4.36Å; Y132-F155 HydrophobicContact CG-CD2 4.05Å; Y132-F155 HydrophobicContact CG-CG 4.23Å
133S96.6Very high95.3Very high45 Ų4552.8 Ų52.832%0.31525%0.253SS..EExtended strand (participates in β ladder)trans-91.6125.2173.3-710000110.5A115 F116A115-S133 WeakPolarHBondContact CA-O 3.32Å; F116-S133 PolarHBondContact N-O 3.21Å; F116-S133 PolarHBondContact O-N 2.96Å
134L97.4Very high94.7Very high2 Ų256.4 Ų56.41%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-95.9134.3-180-53.5-175000111.4V114 A115 I143 I148 F155 W157 L164 P178V114-L134 CarbonylContact O-C 3.57Å; V114-L134 WeakPolarHBondContact O-CA 3.46Å; A115-L134 HydrophobicContact CB-CD2 3.63Å; L134-I143 HydrophobicContact CB-CB 4.07Å; L134-I143 HydrophobicContact CB-CD1 3.89Å; L134-I143 HydrophobicContact CB-CG1 4.2Å; L134-I143 HydrophobicContact CD1-CD1 4.49Å; L134-I143 PolarHBondContact O-N 3.48Å; L134-I148 HydrophobicContact CD1-CD1 3.88Å; L134-I148 HydrophobicContact CD2-CD1 4.3Å; L134-I148 HydrophobicContact CG-CD1 4.16Å; L134-F155 HydrophobicContact CD2-CE2 4.43Å; L134-F155 HydrophobicContact CD2-CZ 4.28Å; L134-W157 HydrophobicContact CD2-CH2 4.1Å; L134-W157 HydrophobicContact CD2-CZ2 4Å; L134-L164 HydrophobicContact CD1-CD2 3.95Å; L134-P178 HydrophobicContact CD1-CB 3.9Å
135Y96.6Very high93.9Very high20 Ų2058.8 Ų58.88%0.07830%0.3CS..EExtended strand (participates in β ladder)trans-124.8130.1-179.6173.9-109.7000110.8K96 Y113 V114 F116 R137 E140 N142K96-Y135 HydrophobicContact CD-CD2 4.49Å; K96-Y135 HydrophobicContact CD-CE2 4.23Å; Y113-Y135 CarbonylContact C-O 3.58Å; Y113-Y135 VanDerWaalsContact CA-O 3.25Å; Y113-Y135 WeakPolarHBondContact CA-O 3.44Å; V114-Y135 HydrophobicContact CB-CD1 4.41Å; V114-Y135 PolarHBondContact N-O 2.81Å; V114-Y135 PolarHBondContact O-N 2.69Å; F116-Y135 HydrophobicContact CE2-CD1 4.2Å; F116-Y135 HydrophobicContact CE2-CG 4Å; Y135-R137 HydrophobicContact CD1-CG 3.84Å; Y135-R137 HydrophobicContact CE1-CB 4.3Å; Y135-R137 HydrophobicContact CE1-CG 3.76Å; Y135-E140 WeakPolarHBondContact OH-CA 3.49Å; Y135-N142 WeakPolarHBondContact CD2-OD1 3.47Å
136D96.3Very high93.4Very high8 Ų853.2 Ų53.24%0.04328%0.282CS..EExtended strand (participates in β ladder)trans-93.9110.3175.7-177-38000108.8Y113 E138 S139 E140 K141 K179Y113-D136 HydrophobicContact CD1-CB 4.03Å; Y113-D136 HydrophobicContact CE1-CB 3.77Å; D136-E138 PolarHBondContact OD1-N 2.75Å; D136-S139 WeakPolarHBondContact CB-OG 3.23Å; D136-S139 PolarHBondContact OD1-N 2.7Å; D136-S139 PolarHBondContact OD1-OG 2.96Å; D136-S139 VanDerWaalsContact OD1-OG 3.06Å; D136-S139 PolarHBondContact OD2-OG 3.37Å; D136-E140 VanDerWaalsContact O-CA 3.31Å; D136-E140 WeakPolarHBondContact O-CA 3.42Å; D136-E140 PolarHBondContact O-N 3.23Å; D136-K141 WeakPolarHBondContact CB-O 3.26Å; D136-K141 PolarHBondContact N-O 3.07Å; D136-K141 PolarHBondContact O-N 3.31Å; D136-K141 VanDerWaalsContact O-N 3.17Å; D136-K179 IonicContact OD2-NZ 2.73Å; D136-K179 PolarHBondContact OD2-NZ 3.03Å
137R93.8Very high93.2Very high73 Ų7352.3 Ų52.328%0.27529%0.29SS..THydrogen-bonded Turntrans-72.4-28.7-174.1-67.7-175.562.3-119.1-2.9113.2F91 R111 K112 V114 Y135F91-R137 VanDerWaalsContact CE2-NH1 3.33Å; R111-R137 PolarHBondContact O-NH1 3.42Å; K112-R137 WeakPolarHBondContact O-CB 3.29Å; K112-R137 PolarHBondContact O-N 3.47Å; V114-R137 HydrophobicContact CG2-CG 3.92Å; Y135-R137 HydrophobicContact CD1-CG 3.84Å; Y135-R137 HydrophobicContact CE1-CB 4.3Å; Y135-R137 HydrophobicContact CE1-CG 3.76Å
138E91.8Very high93.2Very high133 Ų13352.3 Ų52.362%0.62129%0.289SS*.THydrogen-bonded Turntrans-76.1-39.5-177.9-68.5-176.9157.600111.1K112 D136K112-E138 VanDerWaalsContact CE-OE1 3.26Å; K112-E138 WeakPolarHBondContact CE-OE1 2.96Å; K112-E138 HydrophobicContact CG-CG 4.44Å; K112-E138 IonicContact NZ-OE1 3.34Å; K112-E138 PolarHBondContact NZ-OE1 3.42Å; K112-E138 IonicContact NZ-OE2 2.77Å; K112-E138 PolarHBondContact NZ-OE2 3.21Å; D136-E138 PolarHBondContact OD1-N 2.75Å
139S93.8Very high93.1Very high52 Ų5252 Ų5236%0.36429%0.29SS..THydrogen-bonded Turntrans-93.5-4.4178.4640000114.3D136 K141D136-S139 WeakPolarHBondContact CB-OG 3.23Å; D136-S139 PolarHBondContact OD1-N 2.7Å; D136-S139 PolarHBondContact OD1-OG 2.96Å; D136-S139 VanDerWaalsContact OD1-OG 3.06Å; D136-S139 PolarHBondContact OD2-OG 3.37Å; S139-K141 VanDerWaalsContact C-N 3.26Å; S139-K141 WeakPolarHBondContact O-CG 3.49Å; S139-K141 PolarHBondContact O-N 3.49Å
140E93.2Very high92.8Very high149 Ų14957 Ų5770%0.69632%0.316SS*.THydrogen-bonded Turntrans52.639.3-174.6-59.6-175.1172.700113.6Y135 D136Y135-E140 WeakPolarHBondContact OH-CA 3.49Å; D136-E140 VanDerWaalsContact O-CA 3.31Å; D136-E140 WeakPolarHBondContact O-CA 3.42Å; D136-E140 PolarHBondContact O-N 3.23Å
141K93.9Very high92.8Very high142 Ų14260.8 Ų60.862%0.61734%0.339SS*.EExtended strand (participates in β ladder)trans-126.5141.1-174.5-75.3174.2-174-177.50112.9D136 S139D136-K141 WeakPolarHBondContact CB-O 3.26Å; D136-K141 PolarHBondContact N-O 3.07Å; D136-K141 PolarHBondContact O-N 3.31Å; D136-K141 VanDerWaalsContact O-N 3.17Å; S139-K141 VanDerWaalsContact C-N 3.26Å; S139-K141 WeakPolarHBondContact O-CG 3.49Å; S139-K141 PolarHBondContact O-N 3.49Å
142N93.3Very high92.8Very high59 Ų5960.3 Ų60.332%0.31634%0.336SS..EExtended strand (participates in β ladder)trans-70.5141.4168.6-61.3-19.6000109.8E99 H100 Y135 T144E99-N142 PolarHBondContact OE1-ND2 3.43Å; H100-N142 VanDerWaalsContact CE1-CG 3.5Å; H100-N142 PolarHBondContact CE1-OD1 3.34Å; H100-N142 PolarHBondContact NE2-OD1 3.43Å; Y135-N142 WeakPolarHBondContact CD2-OD1 3.47Å; N142-T144 PolarHBondContact O-N 3.1Å
143I92.9Very high92.8Very high21 Ų2161.8 Ų61.811%0.10834%0.343CS..  trans-87.695172.9-54.2-178000107.6Y113 L134 S145 P178 K179Y113-I143 HydrophobicContact CD1-CD1 3.81Å; Y113-I143 HydrophobicContact CE1-CD1 3.78Å; L134-I143 HydrophobicContact CB-CB 4.07Å; L134-I143 HydrophobicContact CB-CD1 3.89Å; L134-I143 HydrophobicContact CB-CG1 4.2Å; L134-I143 HydrophobicContact CD1-CD1 4.49Å; L134-I143 PolarHBondContact O-N 3.48Å; I143-S145 VanDerWaalsContact C-N 3.28Å; I143-S145 PolarHBondContact O-N 3.44Å; I143-P178 HydrophobicContact CD1-CB 3.35Å; I143-P178 HydrophobicContact CD1-CG 4.5Å; I143-K179 HydrophobicContact CD1-CG 4.17Å; I143-K179 HydrophobicContact CG2-CG 4.21Å
144T81.2Confident92.9Very high132 Ų13260.5 Ų60.581%0.8133%0.332SS*.THydrogen-bonded Turntrans-73.6-12.7-171.852.20000114.9N142N142-T144 PolarHBondContact O-N 3.1Å
145S78.4Confident93Very high101 Ų10160.4 Ų60.471%0.70633%0.331SS*.THydrogen-bonded Turntrans-131.952.8178.6-55.20000110.6I143 G147I143-S145 VanDerWaalsContact C-N 3.28Å; I143-S145 PolarHBondContact O-N 3.44Å; S145-G147 PolarHBondContact O-N 2.78Å
146S82.9Confident93Very high16 Ų1660.3 Ų60.311%0.11234%0.335CS..  trans-62.8-25.3174.866.40000111.9I148 K175S146-I148 PolarHBondContact O-N 2.99Å; S146-I148 PolarHBondContact OG-N 3.32Å; S146-K175 VanDerWaalsContact O-CE 3.27Å; S146-K175 WeakPolarHBondContact O-CE 3.22Å; S146-K175 PolarHBondContact O-NZ 3.22Å
147G90.3Very high93.1Very high46 Ų4661 Ų6147%0.47434%0.337SS..  trans63.418.2-174.700000113.1S145S145-G147 PolarHBondContact O-N 2.78Å
148I95.5Very high93.3Very high15 Ų1557.6 Ų57.68%0.07732%0.324CS..  trans-86.5128.4170.9-60.2177.1000107.1L134 S146 V152 F155 L164 Y166 K175L134-I148 HydrophobicContact CD1-CD1 3.88Å; L134-I148 HydrophobicContact CD2-CD1 4.3Å; L134-I148 HydrophobicContact CG-CD1 4.16Å; S146-I148 PolarHBondContact O-N 2.99Å; S146-I148 PolarHBondContact OG-N 3.32Å; I148-V152 HydrophobicContact CG2-CG2 3.54Å; I148-F155 HydrophobicContact CD1-CE2 4.06Å; I148-L164 HydrophobicContact CD1-CD1 4.29Å; I148-L164 HydrophobicContact CD1-CD2 4.43Å; I148-Y166 HydrophobicContact CG1-CD1 4.45Å; I148-Y166 HydrophobicContact CG1-CE1 4.08Å; I148-Y166 HydrophobicContact CG2-CE2 4.47Å; I148-K175 HydrophobicContact CD1-CD 4.25Å; I148-K175 HydrophobicContact CG1-CD 4.09Å
149P95.4Very high93.6Very high31 Ų3154.6 Ų54.620%0.20132%0.316CS..  trans-62.3162.1176.2-24.636.3000113.3V151 V152 Y166 W168P149-V151 VanDerWaalsContact C-N 3.32Å; P149-V151 PolarHBondContact O-N 3.27Å; P149-V152 WeakPolarHBondContact O-CG2 3.31Å; P149-Y166 HydrophobicContact CG-CE2 4.43Å; P149-W168 HydrophobicContact CB-CD2 4.12Å; P149-W168 HydrophobicContact CB-CG 3.97Å; P149-W168 HydrophobicContact CG-CB 4.23Å; P149-W168 HydrophobicContact CG-CD2 3.52Å; P149-W168 HydrophobicContact CG-CE3 3.97Å; P149-W168 HydrophobicContact CG-CG 3.61Å; P149-W168 HydrophobicContact CG-CZ2 4.44Å
150D93.5Very high93.7Very high125 Ų12554 Ų5467%0.66832%0.315SS*.SBendtrans-73.4-23.6-178.4-65.6-31.2000113.3A130 S131A130-D150 CarbonylContact C-O 3.36Å; S131-D150 WeakPolarHBondContact CA-O 3.33Å; S131-D150 VanDerWaalsContact CB-O 3.29Å; S131-D150 WeakPolarHBondContact CB-O 3.4Å; S131-D150 PolarHBondContact N-O 2.84Å; S131-D150 PolarHBondContact OG-O 2.93Å
151V96.4Very high93.8Very high83 Ų8348.6 Ų48.650%0.50330%0.299SS..  trans-116.386.7-177.1-174.10000109.3T129 P149 W168T129-V151 HydrophobicContact CG2-CG1 3.85Å; P149-V151 VanDerWaalsContact C-N 3.32Å; P149-V151 PolarHBondContact O-N 3.27Å; V151-W168 VanDerWaalsContact O-CD1 3.25Å
152V98.1Very high94Very high0 Ų043.4 Ų43.40%028%0.278CS..BIsolated β-bridgetrans-100.5132178.8168.20000109.8T129 A130 Y132 I148 P149 F154 F155 Y166T129-V152 VanDerWaalsContact CA-O 3.25Å; T129-V152 WeakPolarHBondContact CA-O 3.41Å; A130-V152 PolarHBondContact N-O 2.92Å; A130-V152 WeakPolarHBondContact O-CB 3.36Å; A130-V152 PolarHBondContact O-N 2.84Å; Y132-V152 HydrophobicContact CD2-CB 3.64Å; Y132-V152 HydrophobicContact CD2-CG1 3.86Å; Y132-V152 HydrophobicContact CD2-CG2 4.06Å; Y132-V152 HydrophobicContact CE2-CB 3.6Å; Y132-V152 HydrophobicContact CE2-CG1 3.56Å; Y132-V152 HydrophobicContact CE2-CG2 4.5Å; I148-V152 HydrophobicContact CG2-CG2 3.54Å; P149-V152 WeakPolarHBondContact O-CG2 3.31Å; V152-F154 WeakPolarHBondContact CG1-O 3.27Å; V152-F155 HydrophobicContact CG1-CB 4.25Å; V152-Y166 HydrophobicContact CG1-CD2 4.35Å; V152-Y166 HydrophobicContact CG2-CD2 4.06Å
153Q98.3Very high94.2Very high45 Ų4542.3 Ų42.321%0.2127%0.27CS..SBendtrans-84.1-29.5-176.9-65.1166.4-8400112.6T129 V167 N170 I198T129-Q153 HydrophobicContact CG2-CG 4Å; Q153-V167 HydrophobicContact CB-CB 4.37Å; Q153-V167 HydrophobicContact CB-CG1 4.3Å; Q153-V167 PolarHBondContact N-O 3.25Å; Q153-N170 PolarHBondContact NE2-OD1 3.44Å; Q153-I198 HydrophobicContact CB-CD1 3.98Å; Q153-I198 HydrophobicContact CG-CD1 4.39Å
154F98.4Very high94.5Very high17 Ų1741.3 Ų41.38%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-157.2145.8174.8-173.6-120.1000110.9V152 A156 Y166 V167 I198 Q212 F214V152-F154 WeakPolarHBondContact CG1-O 3.27Å; F154-A156 HydrophobicContact CE1-CB 4.47Å; F154-Y166 CarbonylContact O-C 3.42Å; F154-Y166 WeakPolarHBondContact O-CA 3.4Å; F154-Y166 VanDerWaalsContact O-CB 3.3Å; F154-Y166 WeakPolarHBondContact O-CB 3.4Å; F154-V167 HydrophobicContact CB-CB 4.31Å; F154-V167 HydrophobicContact CB-CG2 4.33Å; F154-V167 PolarHBondContact O-N 2.85Å; F154-I198 HydrophobicContact CB-CG2 3.55Å; F154-I198 HydrophobicContact CG-CG2 4.33Å; F154-Q212 HydrophobicContact CE1-CB 4.29Å; F154-Q212 HydrophobicContact CE1-CG 3.97Å; F154-Q212 HydrophobicContact CE2-CB 4.21Å; F154-Q212 HydrophobicContact CZ-CB 3.76Å; F154-Q212 HydrophobicContact CZ-CG 3.73Å; F154-F214 AromaticContact CD1-CD1 3.7Å; F154-F214 HydrophobicContact CD1-CD1 3.7Å; F154-F214 AromaticContact CD1-CE1 3.24Å; F154-F214 HydrophobicContact CD1-CE1 3.24Å; F154-F214 HydrophobicContact CD1-CE2 4.28Å; F154-F214 HydrophobicContact CD1-CG 4.41Å; F154-F214 AromaticContact CD1-CZ 3.55Å; F154-F214 HydrophobicContact CD1-CZ 3.55Å; F154-F214 AromaticContact CE1-CD1 3.98Å; F154-F214 HydrophobicContact CE1-CD1 3.98Å; F154-F214 HydrophobicContact CE1-CD2 4.16Å; F154-F214 AromaticContact CE1-CE1 3.62Å; F154-F214 HydrophobicContact CE1-CE1 3.62Å; F154-F214 AromaticContact CE1-CE2 3.79Å; F154-F214 HydrophobicContact CE1-CE2 3.79Å; F154-F214 HydrophobicContact CE1-CG 4.23Å; F154-F214 AromaticContact CE1-CZ 3.49Å; F154-F214 HydrophobicContact CE1-CZ 3.49Å; F154-F214 VanDerWaalsContact CE1-CZ 3.49Å; F154-F214 HydrophobicContact CG-CE1 4.4Å
155F98.4Very high95.3Very high0 Ų035 Ų350%023%0.226CC..EExtended strand (participates in β ladder)trans-143.3134.4-179.9178-78.1000110.8K106 A115 Y132 L134 I148 V152 W157 L164K106-F155 HydrophobicContact CD-CD1 3.97Å; K106-F155 HydrophobicContact CD-CE1 4.48Å; K106-F155 PolarHBondContact NZ-O 3.24Å; A115-F155 HydrophobicContact CB-CE1 3.73Å; A115-F155 HydrophobicContact CB-CZ 3.74Å; Y132-F155 HydrophobicContact CD1-CB 3.9Å; Y132-F155 HydrophobicContact CD1-CD1 4.04Å; Y132-F155 AromaticContact CD1-CD2 3.89Å; Y132-F155 HydrophobicContact CD1-CD2 3.89Å; Y132-F155 HydrophobicContact CD1-CE2 4.44Å; Y132-F155 AromaticContact CD1-CG 3.68Å; Y132-F155 HydrophobicContact CD1-CG 3.68Å; Y132-F155 HydrophobicContact CD2-CB 4.36Å; Y132-F155 HydrophobicContact CE1-CB 3.38Å; Y132-F155 AromaticContact CE1-CD1 3.93Å; Y132-F155 HydrophobicContact CE1-CD1 3.93Å; Y132-F155 HydrophobicContact CE1-CD2 4.27Å; Y132-F155 AromaticContact CE1-CG 3.61Å; Y132-F155 HydrophobicContact CE1-CG 3.61Å; Y132-F155 HydrophobicContact CE2-CB 3.91Å; Y132-F155 HydrophobicContact CG-CB 4.36Å; Y132-F155 HydrophobicContact CG-CD2 4.05Å; Y132-F155 HydrophobicContact CG-CG 4.23Å; L134-F155 HydrophobicContact CD2-CE2 4.43Å; L134-F155 HydrophobicContact CD2-CZ 4.28Å; I148-F155 HydrophobicContact CD1-CE2 4.06Å; V152-F155 HydrophobicContact CG1-CB 4.25Å; F155-W157 AromaticContact CE1-CD1 3.9Å; F155-W157 HydrophobicContact CE1-CD2 4.08Å; F155-W157 AromaticContact CE1-CE2 3.8Å; F155-W157 HydrophobicContact CE1-CG 4.12Å; F155-W157 HydrophobicContact CE1-CZ2 4.36Å; F155-W157 AromaticContact CE1-NE1 3.69Å; F155-W157 HydrophobicContact CZ-CD2 4.1Å; F155-W157 AromaticContact CZ-CE2 3.78Å; F155-W157 HydrophobicContact CZ-CH2 4.35Å; F155-W157 AromaticContact CZ-CZ2 3.93Å; F155-W157 HydrophobicContact CZ-CZ2 3.93Å; F155-L164 HydrophobicContact CD2-CD1 4.35Å; F155-L164 HydrophobicContact CE2-CB 4.31Å; F155-L164 HydrophobicContact CE2-CD1 3.66Å; F155-L164 HydrophobicContact CE2-CD2 3.95Å; F155-L164 HydrophobicContact CE2-CG 4.17Å; F155-L164 HydrophobicContact CZ-CB 4.07Å; F155-L164 HydrophobicContact CZ-CD1 4.27Å; F155-L164 HydrophobicContact CZ-CD2 3.94Å; F155-L164 HydrophobicContact CZ-CG 4.31Å
156A98.3Very high96.3Very high18 Ų1830.3 Ų30.315%0.14919%0.193CC..EExtended strand (participates in β ladder)trans-146138.8169.500000112.8F154 A165 F214F154-A156 HydrophobicContact CE1-CB 4.47Å; A156-A165 PolarHBondContact N-O 3.49Å; A156-A165 PolarHBondContact O-N 3.25Å; A156-F214 HydrophobicContact CB-CE2 3.73Å; A156-F214 HydrophobicContact CB-CZ 3.86Å
157W98.4Very high97Very high24 Ų2429.5 Ų29.59%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-70.2146.8163.2-65.8114.3000110.2K106 A115 L134 F155 N162 L164 P178K106-W157 PolarHBondContact O-NE1 3.09Å; A115-W157 HydrophobicContact CB-CZ2 3.8Å; L134-W157 HydrophobicContact CD2-CH2 4.1Å; L134-W157 HydrophobicContact CD2-CZ2 4Å; F155-W157 AromaticContact CE1-CD1 3.9Å; F155-W157 HydrophobicContact CE1-CD2 4.08Å; F155-W157 AromaticContact CE1-CE2 3.8Å; F155-W157 HydrophobicContact CE1-CG 4.12Å; F155-W157 HydrophobicContact CE1-CZ2 4.36Å; F155-W157 AromaticContact CE1-NE1 3.69Å; F155-W157 HydrophobicContact CZ-CD2 4.1Å; F155-W157 AromaticContact CZ-CE2 3.78Å; F155-W157 HydrophobicContact CZ-CH2 4.35Å; F155-W157 AromaticContact CZ-CZ2 3.93Å; F155-W157 HydrophobicContact CZ-CZ2 3.93Å; W157-N162 WeakPolarHBondContact CZ3-O 3.22Å; W157-L164 HydrophobicContact CD2-CB 4.32Å; W157-L164 HydrophobicContact CE3-CB 3.58Å; W157-L164 HydrophobicContact CE3-CD2 4.13Å; W157-L164 HydrophobicContact CE3-CG 4.49Å; W157-L164 HydrophobicContact CH2-CD2 3.65Å; W157-L164 HydrophobicContact CZ3-CB 3.75Å; W157-L164 HydrophobicContact CZ3-CD2 3.42Å; W157-L164 VanDerWaalsContact CZ3-CD2 3.42Å; W157-L164 HydrophobicContact CZ3-CG 4.18Å; W157-P178 HydrophobicContact CH2-CG 3.91Å; W157-P178 HydrophobicContact CZ3-CG 3.9Å
158A98.1Very high97.4Very high1 Ų132.4 Ų32.41%0.00818%0.184CC..  trans-62.5147.5165.500000110.2A160 K163 W216A158-A160 PolarHBondContact O-N 2.92Å; A158-K163 HydrophobicContact CB-CB 3.78Å; A158-K163 WeakPolarHBondContact CB-O 3.14Å; A158-K163 PolarHBondContact N-O 3.13Å; A158-W216 HydrophobicContact CB-CD2 3.8Å; A158-W216 HydrophobicContact CB-CE3 3.75Å; A158-W216 HydrophobicContact CB-CG 4.46Å; A158-W216 HydrophobicContact CB-CH2 3.9Å; A158-W216 HydrophobicContact CB-CZ2 3.99Å; A158-W216 HydrophobicContact CB-CZ3 3.79Å
159P96.5Very high97.5Very high70 Ų7035.6 Ų35.646%0.45520%0.201SC..SBendtrans-69.9-9.6-17928-35000113.5A109 W216 S217 P218A109-P159 VanDerWaalsContact CB-C 3.45Å; A109-P159 WeakPolarHBondContact CB-O 3.39Å; P159-W216 HydrophobicContact CG-CB 3.98Å; P159-S217 WeakPolarHBondContact CG-O 3.19Å; P159-P218 WeakPolarHBondContact CG-O 3.23Å
160A96.1Very high97.6Very high40 Ų4034.6 Ų34.633%0.33119%0.194SC..SBendtrans-132.3142.1172.400000110.7A158A158-A160 PolarHBondContact O-N 2.92Å
161G96.6Very high97.9Very high35 Ų3529.2 Ų29.236%0.36117%0.166SC..THydrogen-bonded Turntrans68-137.1-178.800000113.2A109 D110A109-G161 WeakPolarHBondContact CB-O 3.16Å; A109-G161 PolarHBondContact N-O 3.31Å; D110-G161 PolarHBondContact N-O 2.73Å
162N97Very high98Very high33 Ų3325.3 Ų25.318%0.17614%0.142CC..THydrogen-bonded Turntrans-141.320.2-175.962.8-6.9000113.2D110 Y113 W157 P178D110-N162 WeakPolarHBondContact OD2-CB 3.33Å; Y113-N162 HydrophobicContact CD2-CB 3.84Å; Y113-N162 HydrophobicContact CE2-CB 4.18Å; Y113-N162 WeakPolarHBondContact CE2-ND2 3.29Å; W157-N162 WeakPolarHBondContact CZ3-O 3.22Å; N162-P178 HydrophobicContact CB-CG 4.34Å; N162-P178 WeakPolarHBondContact ND2-CD 3.46Å; N162-P178 WeakPolarHBondContact O-CD 3.49Å
163K98.1Very high98Very high35 Ų3526.5 Ų26.515%0.15215%0.147CC..  trans-60.3149.8165-66.4-176.9175.7177.60108.6A158 K175 T176 W216 T271 D272A158-K163 HydrophobicContact CB-CB 3.78Å; A158-K163 WeakPolarHBondContact CB-O 3.14Å; A158-K163 PolarHBondContact N-O 3.13Å; K163-K175 WeakPolarHBondContact CA-O 3.35Å; K163-T176 WeakPolarHBondContact CG-O 3.41Å; K163-W216 HydrophobicContact CB-CH2 3.92Å; K163-W216 HydrophobicContact CB-CZ3 4.41Å; K163-T271 PolarHBondContact NZ-OG1 3.29Å; K163-D272 IonicContact NZ-OD1 3.29Å; K163-D272 PolarHBondContact NZ-OD1 2.64Å
164L98.4Very high98Very high0 Ų024.3 Ų24.30%014%0.137CC..EExtended strand (participates in β ladder)trans-142.6152.8176.873.984000110.8L134 I148 F155 W157 Y166 K175L134-L164 HydrophobicContact CD1-CD2 3.95Å; I148-L164 HydrophobicContact CD1-CD1 4.29Å; I148-L164 HydrophobicContact CD1-CD2 4.43Å; F155-L164 HydrophobicContact CD2-CD1 4.35Å; F155-L164 HydrophobicContact CE2-CB 4.31Å; F155-L164 HydrophobicContact CE2-CD1 3.66Å; F155-L164 HydrophobicContact CE2-CD2 3.95Å; F155-L164 HydrophobicContact CE2-CG 4.17Å; F155-L164 HydrophobicContact CZ-CB 4.07Å; F155-L164 HydrophobicContact CZ-CD1 4.27Å; F155-L164 HydrophobicContact CZ-CD2 3.94Å; F155-L164 HydrophobicContact CZ-CG 4.31Å; W157-L164 HydrophobicContact CD2-CB 4.32Å; W157-L164 HydrophobicContact CE3-CB 3.58Å; W157-L164 HydrophobicContact CE3-CD2 4.13Å; W157-L164 HydrophobicContact CE3-CG 4.49Å; W157-L164 HydrophobicContact CH2-CD2 3.65Å; W157-L164 HydrophobicContact CZ3-CB 3.75Å; W157-L164 HydrophobicContact CZ3-CD2 3.42Å; W157-L164 VanDerWaalsContact CZ3-CD2 3.42Å; W157-L164 HydrophobicContact CZ3-CG 4.18Å; L164-Y166 HydrophobicContact CD1-CD1 3.72Å; L164-Y166 HydrophobicContact CD1-CE1 4.35Å; L164-K175 HydrophobicContact CD1-CB 4.24Å; L164-K175 HydrophobicContact CD1-CD 3.64Å; L164-K175 HydrophobicContact CD1-CG 3.87Å; L164-K175 HydrophobicContact CD2-CD 4.03Å; L164-K175 HydrophobicContact CG-CB 4.04Å; L164-K175 HydrophobicContact CG-CD 3.96Å; L164-K175 HydrophobicContact CG-CG 4.2Å; L164-K175 PolarHBondContact N-O 3.49Å; L164-K175 PolarHBondContact O-N 3.39Å
165A98.6Very high98Very high0 Ų023.5 Ų23.50%013%0.133CC..EExtended strand (participates in β ladder)trans-131.3148.6173.300000109.1A156 F173 F214 W216 L223A156-A165 PolarHBondContact N-O 3.49Å; A156-A165 PolarHBondContact O-N 3.25Å; A165-F173 CarbonylContact C-O 3.41Å; A165-F173 WeakPolarHBondContact CA-O 3.41Å; A165-F214 HydrophobicContact CB-CE1 4.27Å; A165-F214 HydrophobicContact CB-CE2 4.11Å; A165-F214 HydrophobicContact CB-CZ 3.81Å; A165-W216 HydrophobicContact CB-CH2 4.49Å; A165-W216 HydrophobicContact CB-CZ2 3.54Å; A165-L223 HydrophobicContact CB-CD2 3.68Å
166Y98.8Very high97.9Very high2 Ų226 Ų261%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-147.2160.4177.566.6-87.3000110.8I148 P149 V152 F154 L164 W168 F173 K175 P182I148-Y166 HydrophobicContact CG1-CD1 4.45Å; I148-Y166 HydrophobicContact CG1-CE1 4.08Å; I148-Y166 HydrophobicContact CG2-CE2 4.47Å; P149-Y166 HydrophobicContact CG-CE2 4.43Å; V152-Y166 HydrophobicContact CG1-CD2 4.35Å; V152-Y166 HydrophobicContact CG2-CD2 4.06Å; F154-Y166 CarbonylContact O-C 3.42Å; F154-Y166 WeakPolarHBondContact O-CA 3.4Å; F154-Y166 VanDerWaalsContact O-CB 3.3Å; F154-Y166 WeakPolarHBondContact O-CB 3.4Å; L164-Y166 HydrophobicContact CD1-CD1 3.72Å; L164-Y166 HydrophobicContact CD1-CE1 4.35Å; Y166-W168 HydrophobicContact CD2-CB 4.12Å; Y166-W168 HydrophobicContact CE2-CB 3.93Å; Y166-F173 HydrophobicContact CD1-CB 4Å; Y166-F173 HydrophobicContact CD2-CB 4.12Å; Y166-F173 HydrophobicContact CD2-CD2 4.43Å; Y166-F173 HydrophobicContact CE1-CB 3.55Å; Y166-F173 HydrophobicContact CE1-CG 4.45Å; Y166-F173 HydrophobicContact CE2-CB 3.67Å; Y166-F173 AromaticContact CE2-CD2 3.91Å; Y166-F173 HydrophobicContact CE2-CD2 3.91Å; Y166-F173 AromaticContact CE2-CG 3.85Å; Y166-F173 HydrophobicContact CE2-CG 3.85Å; Y166-F173 HydrophobicContact CG-CB 4.27Å; Y166-F173 AromaticContact CZ-CG 3.79Å; Y166-F173 PolarHBondContact N-O 2.91Å; Y166-F173 PolarHBondContact O-N 2.86Å; Y166-K175 HydrophobicContact CE1-CD 4.25Å; Y166-K175 HydrophobicContact CE1-CG 4.21Å; Y166-P182 HydrophobicContact CE1-CB 4.4Å; Y166-P182 VanDerWaalsContact OH-CB 3.24Å; Y166-P182 WeakPolarHBondContact OH-CB 3.37Å
167V98.8Very high97.7Very high0 Ų026.9 Ų26.90%015%0.154CC..EExtended strand (participates in β ladder)trans-110.4126.6174.4-178.10000109.5Q153 F154 N171 V172 I198 F214Q153-V167 HydrophobicContact CB-CB 4.37Å; Q153-V167 HydrophobicContact CB-CG1 4.3Å; Q153-V167 PolarHBondContact N-O 3.25Å; F154-V167 HydrophobicContact CB-CB 4.31Å; F154-V167 HydrophobicContact CB-CG2 4.33Å; F154-V167 PolarHBondContact O-N 2.85Å; V167-N171 VanDerWaalsContact CA-O 3.29Å; V167-N171 WeakPolarHBondContact CA-O 3.47Å; V167-V172 HydrophobicContact CG2-CG2 4.18Å; V167-I198 HydrophobicContact CB-CG2 3.99Å; V167-I198 HydrophobicContact CG1-CD1 3.86Å; V167-I198 HydrophobicContact CG1-CG1 4.06Å; V167-I198 HydrophobicContact CG1-CG2 4.09Å; V167-I198 HydrophobicContact CG2-CG2 3.94Å; V167-F214 HydrophobicContact CG2-CD1 3.99Å; V167-F214 HydrophobicContact CG2-CE1 3.99Å
168W98.1Very high97.6Very high106 Ų10625.7 Ų25.740%0.40215%0.149SC..EExtended strand (participates in β ladder)trans-137.4134.3174.5171.860.2000109P149 V151 Y166 N170 N171 F173P149-W168 HydrophobicContact CB-CD2 4.12Å; P149-W168 HydrophobicContact CB-CG 3.97Å; P149-W168 HydrophobicContact CG-CB 4.23Å; P149-W168 HydrophobicContact CG-CD2 3.52Å; P149-W168 HydrophobicContact CG-CE3 3.97Å; P149-W168 HydrophobicContact CG-CG 3.61Å; P149-W168 HydrophobicContact CG-CZ2 4.44Å; V151-W168 VanDerWaalsContact O-CD1 3.25Å; Y166-W168 HydrophobicContact CD2-CB 4.12Å; Y166-W168 HydrophobicContact CE2-CB 3.93Å; W168-N170 PolarHBondContact O-N 3.48Å; W168-N171 PolarHBondContact N-O 3.41Å; W168-N171 PolarHBondContact O-N 3.41Å; W168-F173 HydrophobicContact CB-CD2 4.17Å; W168-F173 HydrophobicContact CB-CE2 4.06Å; W168-F173 HydrophobicContact CD2-CE2 4.46Å; W168-F173 HydrophobicContact CE3-CE1 4.4Å; W168-F173 AromaticContact CE3-CE2 3.64Å; W168-F173 HydrophobicContact CE3-CE2 3.64Å; W168-F173 AromaticContact CE3-CZ 3.55Å; W168-F173 HydrophobicContact CE3-CZ 3.55Å; W168-F173 AromaticContact CZ3-CZ 4Å; W168-F173 HydrophobicContact CZ3-CZ 4Å
169D97.5Very high97.4Very high82 Ų8231.5 Ų31.544%0.43917%0.174SC..THydrogen-bonded Turntrans4947-178.1-161.728.7000112.1N171D169-N171 PolarHBondContact O-N 2.84Å; D169-N171 PolarHBondContact O-ND2 3.29Å
170N98.4Very high97.3Very high10 Ų1029.1 Ų29.15%0.05316%0.159CC..THydrogen-bonded Turntrans57.719.5-178.2-60.3-32.1000115.3Q153 W168 P191 I194 N196Q153-N170 PolarHBondContact NE2-OD1 3.44Å; W168-N170 PolarHBondContact O-N 3.48Å; N170-P191 VanDerWaalsContact ND2-CA 3.31Å; N170-P191 WeakPolarHBondContact ND2-CA 3.05Å; N170-I194 WeakPolarHBondContact CB-O 3.22Å; N170-N196 WeakPolarHBondContact O-CB 3.47Å; N170-N196 PolarHBondContact O-N 3.45Å; N170-N196 VanDerWaalsContact O-N 3.11Å; N170-N196 PolarHBondContact O-ND2 2.94Å; N170-N196 VanDerWaalsContact O-ND2 3.1Å
171N98.8Very high97.2Very high13 Ų1331.8 Ų31.87%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-118.9141.5178-72.9-70.3000111.9V167 W168 D169 F173 T186 T187 N188 G189V167-N171 VanDerWaalsContact CA-O 3.29Å; V167-N171 WeakPolarHBondContact CA-O 3.47Å; W168-N171 PolarHBondContact N-O 3.41Å; W168-N171 PolarHBondContact O-N 3.41Å; D169-N171 PolarHBondContact O-N 2.84Å; D169-N171 PolarHBondContact O-ND2 3.29Å; N171-F173 HydrophobicContact CB-CD2 4.47Å; N171-F173 HydrophobicContact CB-CE2 3.74Å; N171-F173 HydrophobicContact CB-CZ 4.37Å; N171-F173 VanDerWaalsContact O-CD2 3.29Å; N171-F173 WeakPolarHBondContact O-CD2 3.46Å; N171-T186 WeakPolarHBondContact CA-OG1 3.42Å; N171-T186 WeakPolarHBondContact CB-OG1 3.45Å; N171-T186 PolarHBondContact OD1-O 3.46Å; N171-T186 PolarHBondContact OD1-OG1 3.48Å; N171-T187 VanDerWaalsContact OD1-CA 3.24Å; N171-T187 WeakPolarHBondContact OD1-CA 3.27Å; N171-T187 PolarHBondContact OD1-N 2.95Å; N171-T187 VanDerWaalsContact OD1-N 3.11Å; N171-N188 PolarHBondContact OD1-N 3.12Å; N171-G189 PolarHBondContact ND2-N 2.89Å; N171-G189 PolarHBondContact OD1-N 2.9Å
172V98.8Very high97.2Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-82.7129176.9-179.80000109.3V167 I185 T186 N196 L223 Y225V167-V172 HydrophobicContact CG2-CG2 4.18Å; V172-I185 HydrophobicContact CB-CB 4.15Å; V172-I185 HydrophobicContact CG1-CB 4.14Å; V172-I185 HydrophobicContact CG1-CG1 4.16Å; V172-I185 WeakPolarHBondContact O-CB 3.49Å; V172-I185 PolarHBondContact O-N 3.07Å; V172-T186 HydrophobicContact CB-CG2 4.43Å; V172-T186 PolarHBondContact N-OG1 2.94Å; V172-T186 PolarHBondContact O-N 3.14Å; V172-N196 HydrophobicContact CG2-CB 3.96Å; V172-N196 WeakPolarHBondContact CG2-O 3.41Å; V172-L223 HydrophobicContact CG1-CD2 3.98Å; V172-Y225 HydrophobicContact CG2-CD2 4.31Å; V172-Y225 HydrophobicContact CG2-CG 4.25Å
173F98.7Very high97.2Very high25 Ų2533.6 Ų33.611%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-118.6141.9173.7-69.5-97.1000110.4A165 Y166 W168 N171 P182 E183 P184A165-F173 CarbonylContact C-O 3.41Å; A165-F173 WeakPolarHBondContact CA-O 3.41Å; Y166-F173 HydrophobicContact CD1-CB 4Å; Y166-F173 HydrophobicContact CD2-CB 4.12Å; Y166-F173 HydrophobicContact CD2-CD2 4.43Å; Y166-F173 HydrophobicContact CE1-CB 3.55Å; Y166-F173 HydrophobicContact CE1-CG 4.45Å; Y166-F173 HydrophobicContact CE2-CB 3.67Å; Y166-F173 AromaticContact CE2-CD2 3.91Å; Y166-F173 HydrophobicContact CE2-CD2 3.91Å; Y166-F173 AromaticContact CE2-CG 3.85Å; Y166-F173 HydrophobicContact CE2-CG 3.85Å; Y166-F173 HydrophobicContact CG-CB 4.27Å; Y166-F173 AromaticContact CZ-CG 3.79Å; Y166-F173 PolarHBondContact N-O 2.91Å; Y166-F173 PolarHBondContact O-N 2.86Å; W168-F173 HydrophobicContact CB-CD2 4.17Å; W168-F173 HydrophobicContact CB-CE2 4.06Å; W168-F173 HydrophobicContact CD2-CE2 4.46Å; W168-F173 HydrophobicContact CE3-CE1 4.4Å; W168-F173 AromaticContact CE3-CE2 3.64Å; W168-F173 HydrophobicContact CE3-CE2 3.64Å; W168-F173 AromaticContact CE3-CZ 3.55Å; W168-F173 HydrophobicContact CE3-CZ 3.55Å; W168-F173 AromaticContact CZ3-CZ 4Å; W168-F173 HydrophobicContact CZ3-CZ 4Å; N171-F173 HydrophobicContact CB-CD2 4.47Å; N171-F173 HydrophobicContact CB-CE2 3.74Å; N171-F173 HydrophobicContact CB-CZ 4.37Å; N171-F173 VanDerWaalsContact O-CD2 3.29Å; N171-F173 WeakPolarHBondContact O-CD2 3.46Å; F173-P182 HydrophobicContact CD1-CB 4.38Å; F173-E183 WeakPolarHBondContact CA-O 3.39Å; F173-P184 HydrophobicContact CD1-CB 4.08Å; F173-P184 HydrophobicContact CE1-CB 3.72Å; F173-P184 HydrophobicContact CZ-CB 4.33Å
174L98.5Very high97.2Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-113.4145.6176.7-179.570.2000110.3E183 I185 W216 T271 T274L174-E183 PolarHBondContact N-O 3.2Å; L174-E183 PolarHBondContact O-N 3.36Å; L174-I185 HydrophobicContact CB-CD1 3.76Å; L174-I185 HydrophobicContact CB-CG1 3.93Å; L174-I185 HydrophobicContact CD2-CD1 4.27Å; L174-W216 HydrophobicContact CD1-CH2 3.44Å; L174-W216 VanDerWaalsContact CD1-CH2 3.44Å; L174-W216 HydrophobicContact CD1-CZ2 4.08Å; L174-W216 HydrophobicContact CD1-CZ3 4.35Å; L174-T271 HydrophobicContact CD1-CG2 4.24Å; L174-T271 HydrophobicContact CD2-CG2 4.25Å; L174-T274 HydrophobicContact CD2-CG2 3.49Å; L174-T274 VanDerWaalsContact CD2-CG2 3.49Å
175K97.3Very high97.2Very high0 Ų036.4 Ų36.40%020%0.196CC..EExtended strand (participates in β ladder)trans-128.6126.8160.5-45.3174.66569.60109.5S146 I148 K163 L164 Y166 S177 S180 P182S146-K175 VanDerWaalsContact O-CE 3.27Å; S146-K175 WeakPolarHBondContact O-CE 3.22Å; S146-K175 PolarHBondContact O-NZ 3.22Å; I148-K175 HydrophobicContact CD1-CD 4.25Å; I148-K175 HydrophobicContact CG1-CD 4.09Å; K163-K175 WeakPolarHBondContact CA-O 3.35Å; L164-K175 HydrophobicContact CD1-CB 4.24Å; L164-K175 HydrophobicContact CD1-CD 3.64Å; L164-K175 HydrophobicContact CD1-CG 3.87Å; L164-K175 HydrophobicContact CD2-CD 4.03Å; L164-K175 HydrophobicContact CG-CB 4.04Å; L164-K175 HydrophobicContact CG-CD 3.96Å; L164-K175 HydrophobicContact CG-CG 4.2Å; L164-K175 PolarHBondContact N-O 3.49Å; L164-K175 PolarHBondContact O-N 3.39Å; Y166-K175 HydrophobicContact CE1-CD 4.25Å; Y166-K175 HydrophobicContact CE1-CG 4.21Å; K175-S177 WeakPolarHBondContact CB-O 3.44Å; K175-S177 PolarHBondContact O-N 2.6Å; K175-S180 VanDerWaalsContact CE-O 3.25Å; K175-S180 WeakPolarHBondContact CE-O 3.39Å; K175-S180 PolarHBondContact NZ-O 3.32Å; K175-P182 HydrophobicContact CG-CB 4.42Å
176T95.3Very high97.2Very high52 Ų5236.8 Ų36.832%0.31920%0.198SC..SBendtrans-67.8-17.8174.748.20000113.4K163 S180K163-T176 WeakPolarHBondContact CG-O 3.41Å; T176-S180 PolarHBondContact N-OG 3.43Å; T176-S180 WeakPolarHBondContact OG1-CB 3.25Å; T176-S180 PolarHBondContact OG1-OG 3.14Å
177S94.8Very high97.1Very high36 Ų3642.5 Ų42.525%0.25223%0.234SC..SBendtrans-158.4166.8168.673.40000110.1K175 K179 S180K175-S177 WeakPolarHBondContact CB-O 3.44Å; K175-S177 PolarHBondContact O-N 2.6Å; S177-K179 PolarHBondContact O-N 3.17Å; S177-K179 VanDerWaalsContact O-N 3.08Å; S177-K179 PolarHBondContact OG-N 2.97Å; S177-S180 PolarHBondContact N-OG 2.67Å; S177-S180 PolarHBondContact O-N 3.36Å; S177-S180 PolarHBondContact O-OG 2.82Å; S177-S180 PolarHBondContact OG-N 3.35Å; S177-S180 VanDerWaalsContact OG-N 3.11Å; S177-S180 PolarHBondContact OG-OG 2.81Å
178P95.9Very high97.1Very high0 Ų046 Ų460%025%0.252CS..THydrogen-bonded Turntrans-57.4-25.4176.1-29.739.2000114.9Y113 L134 I143 W157 N162Y113-P178 HydrophobicContact CD1-CB 3.96Å; Y113-P178 HydrophobicContact CD1-CG 3.69Å; Y113-P178 HydrophobicContact CD2-CG 3.77Å; Y113-P178 HydrophobicContact CE1-CB 4.02Å; Y113-P178 HydrophobicContact CE1-CG 3.87Å; Y113-P178 HydrophobicContact CE2-CG 4.01Å; Y113-P178 HydrophobicContact CG-CB 4.36Å; Y113-P178 HydrophobicContact CG-CG 3.61Å; L134-P178 HydrophobicContact CD1-CB 3.9Å; I143-P178 HydrophobicContact CD1-CB 3.35Å; I143-P178 HydrophobicContact CD1-CG 4.5Å; W157-P178 HydrophobicContact CH2-CG 3.91Å; W157-P178 HydrophobicContact CZ3-CG 3.9Å; N162-P178 HydrophobicContact CB-CG 4.34Å; N162-P178 WeakPolarHBondContact ND2-CD 3.46Å; N162-P178 WeakPolarHBondContact O-CD 3.49Å
179K94Very high97.1Very high122 Ų12241.6 Ų41.653%0.5324%0.24SC..THydrogen-bonded Turntrans-103.3-12.3-175.2-63173.7-175.3160.30113.5D136 I143 S177D136-K179 IonicContact OD2-NZ 2.73Å; D136-K179 PolarHBondContact OD2-NZ 3.03Å; I143-K179 HydrophobicContact CD1-CG 4.17Å; I143-K179 HydrophobicContact CG2-CG 4.21Å; S177-K179 PolarHBondContact O-N 3.17Å; S177-K179 VanDerWaalsContact O-N 3.08Å; S177-K179 PolarHBondContact OG-N 2.97Å
180S94.7Very high97.1Very high20 Ų2041.8 Ų41.814%0.1424%0.238CC..SBendtrans-72.3157.5176.555.50000110.4K175 T176 S177K175-S180 VanDerWaalsContact CE-O 3.25Å; K175-S180 WeakPolarHBondContact CE-O 3.39Å; K175-S180 PolarHBondContact NZ-O 3.32Å; T176-S180 PolarHBondContact N-OG 3.43Å; T176-S180 WeakPolarHBondContact OG1-CB 3.25Å; T176-S180 PolarHBondContact OG1-OG 3.14Å; S177-S180 PolarHBondContact N-OG 2.67Å; S177-S180 PolarHBondContact O-N 3.36Å; S177-S180 PolarHBondContact O-OG 2.82Å; S177-S180 PolarHBondContact OG-N 3.35Å; S177-S180 VanDerWaalsContact OG-N 3.11Å; S177-S180 PolarHBondContact OG-OG 2.81Å
181P95Very high96.9Very high96 Ų9645 Ų4562%0.62326%0.259SS*.PPolyproline II helixtrans-62.1153.5172.526.5-35.2000111.6
182P96.4Very high96.6Very high47 Ų4747.9 Ų47.931%0.30528%0.275SS..PPolyproline II helixtrans-70.2139.1170.532-34.8000111.5Y166 F173 K175Y166-P182 HydrophobicContact CE1-CB 4.4Å; Y166-P182 VanDerWaalsContact OH-CB 3.24Å; Y166-P182 WeakPolarHBondContact OH-CB 3.37Å; F173-P182 HydrophobicContact CD1-CB 4.38Å; K175-P182 HydrophobicContact CG-CB 4.42Å
183E96.7Very high96.6Very high59 Ų5951.8 Ų51.828%0.27629%0.292SS..EExtended strand (participates in β ladder)trans-112.6119.3176.3-67.2177.3-149.100109.3F173 L174 I185 T274F173-E183 WeakPolarHBondContact CA-O 3.39Å; L174-E183 PolarHBondContact N-O 3.2Å; L174-E183 PolarHBondContact O-N 3.36Å; E183-I185 PolarHBondContact O-N 3.28Å; E183-T274 WeakPolarHBondContact OE2-CG2 3.33Å; E183-T274 PolarHBondContact OE2-OG1 3.03Å; E183-T274 VanDerWaalsContact OE2-OG1 3.09Å
184P97.5Very high96.6Very high74 Ų7451.5 Ų51.548%0.48129%0.291SS..EExtended strand (participates in β ladder)trans-70.3124174.828-31.7000110.1F173 T187F173-P184 HydrophobicContact CD1-CB 4.08Å; F173-P184 HydrophobicContact CE1-CB 3.72Å; F173-P184 HydrophobicContact CZ-CB 4.33Å; P184-T187 HydrophobicContact CB-CG2 4.24Å
185I98.4Very high96.6Very high21 Ų2152.5 Ų52.511%0.10830%0.296CS..SBendtrans-86.9-37.2172.7-56.1-52.1000110.2V172 L174 E183 Y225 V269 T274V172-I185 HydrophobicContact CB-CB 4.15Å; V172-I185 HydrophobicContact CG1-CB 4.14Å; V172-I185 HydrophobicContact CG1-CG1 4.16Å; V172-I185 WeakPolarHBondContact O-CB 3.49Å; V172-I185 PolarHBondContact O-N 3.07Å; L174-I185 HydrophobicContact CB-CD1 3.76Å; L174-I185 HydrophobicContact CB-CG1 3.93Å; L174-I185 HydrophobicContact CD2-CD1 4.27Å; E183-I185 PolarHBondContact O-N 3.28Å; I185-Y225 HydrophobicContact CG2-CD1 4.44Å; I185-Y225 HydrophobicContact CG2-CE1 3.83Å; I185-V269 HydrophobicContact CD1-CG2 4.22Å; I185-V269 HydrophobicContact CG2-CB 4.1Å; I185-V269 HydrophobicContact CG2-CG1 3.91Å; I185-V269 HydrophobicContact CG2-CG2 4.2Å; I185-T274 HydrophobicContact CD1-CG2 3.47Å; I185-T274 VanDerWaalsContact CD1-CG2 3.47Å
186T98.6Very high96.6Very high8 Ų852.5 Ų52.55%0.04930%0.296CS..  trans-122.5156.4175.368.20000110.2N171 V172 N196 Y225N171-T186 WeakPolarHBondContact CA-OG1 3.42Å; N171-T186 WeakPolarHBondContact CB-OG1 3.45Å; N171-T186 PolarHBondContact OD1-O 3.46Å; N171-T186 PolarHBondContact OD1-OG1 3.48Å; V172-T186 HydrophobicContact CB-CG2 4.43Å; V172-T186 PolarHBondContact N-OG1 2.94Å; V172-T186 PolarHBondContact O-N 3.14Å; T186-N196 HydrophobicContact CG2-CB 3.9Å; T186-Y225 HydrophobicContact CG2-CD2 4.27Å; T186-Y225 HydrophobicContact CG2-CE1 4.45Å; T186-Y225 HydrophobicContact CG2-CE2 3.48Å; T186-Y225 VanDerWaalsContact CG2-CE2 3.48Å
187T97.9Very high96.8Very high122 Ų12250 Ų5075%0.74828%0.281SS*.  trans-139.61.8178.453.10000113.4N171 P184N171-T187 VanDerWaalsContact OD1-CA 3.24Å; N171-T187 WeakPolarHBondContact OD1-CA 3.27Å; N171-T187 PolarHBondContact OD1-N 2.95Å; N171-T187 VanDerWaalsContact OD1-N 3.11Å; P184-T187 HydrophobicContact CB-CG2 4.24Å
188N98.3Very high97Very high73 Ų7348.9 Ų48.939%0.3927%0.272SS..  trans-97.61.5-177.766.5-24.7000113.3N171 E190 I194 N196 E227N171-N188 PolarHBondContact OD1-N 3.12Å; N188-E190 PolarHBondContact O-N 2.88Å; N188-I194 WeakPolarHBondContact O-CB 3.47Å; N188-N196 PolarHBondContact OD1-ND2 2.99Å; N188-E227 PolarHBondContact ND2-OE2 3.34Å
189G98.3Very high97.1Very high14 Ų1449.2 Ų49.214%0.14427%0.274CS..  trans-55131176.300000110.9N171 I194N171-G189 PolarHBondContact ND2-N 2.89Å; N171-G189 PolarHBondContact OD1-N 2.9Å; G189-I194 WeakPolarHBondContact CA-O 3.23Å
190E97.8Very high97.3Very high86 Ų8643.6 Ų43.640%0.40225%0.25SS..BIsolated β-bridgetrans-142.4123.2-178.8-174.6177.6172.900108.6N188 N192 K193 I194N188-E190 PolarHBondContact O-N 2.88Å; E190-N192 PolarHBondContact O-N 3.18Å; E190-K193 HydrophobicContact CB-CB 4.2Å; E190-K193 HydrophobicContact CG-CB 4.25Å; E190-K193 HydrophobicContact CG-CD 4.3Å; E190-K193 HydrophobicContact CG-CG 4.46Å; E190-K193 PolarHBondContact O-N 3.32Å; E190-K193 WeakPolarHBondContact OE1-CD 3.4Å; E190-K193 VanDerWaalsContact OE1-CE 3.27Å; E190-K193 WeakPolarHBondContact OE1-CE 3.25Å; E190-K193 IonicContact OE1-NZ 3.79Å; E190-K193 PolarHBondContact OE1-NZ 2.75Å; E190-K193 IonicContact OE2-NZ 3.61Å; E190-I194 HydrophobicContact CB-CB 4.44Å; E190-I194 PolarHBondContact N-O 2.81Å; E190-I194 PolarHBondContact O-N 3.13Å; E190-I194 VanDerWaalsContact O-O 3.13Å
191P94.1Very high97.4Very high77 Ų7743 Ų4350%0.525%0.245SC..THydrogen-bonded Turntrans-49.3133.7178.3-28.735.7000112.8N170 K193N170-P191 VanDerWaalsContact ND2-CA 3.31Å; N170-P191 WeakPolarHBondContact ND2-CA 3.05Å; P191-K193 PolarHBondContact O-N 3.09Å; P191-K193 VanDerWaalsContact O-N 3.13Å
192N91.9Very high97.6Very high73 Ų7338.4 Ų38.439%0.3922%0.215SC..THydrogen-bonded Turntrans57.719.7-178.9-62-17.6000114.9E190 S251 P253E190-N192 PolarHBondContact O-N 3.18Å; N192-S251 PolarHBondContact ND2-O 3.45Å; N192-P253 HydrophobicContact CB-CG 3.77Å; N192-P253 VanDerWaalsContact O-CG 3.28Å; N192-P253 WeakPolarHBondContact O-CG 3.4Å
193K97.9Very high97.7Very high83 Ų8336.2 Ų36.236%0.36120%0.201SC..THydrogen-bonded Turntrans-139.9-53.6176.5-62.2-166.9-161.6157.30113.9E190 P191 N229 D230E190-K193 HydrophobicContact CB-CB 4.2Å; E190-K193 HydrophobicContact CG-CB 4.25Å; E190-K193 HydrophobicContact CG-CD 4.3Å; E190-K193 HydrophobicContact CG-CG 4.46Å; E190-K193 PolarHBondContact O-N 3.32Å; E190-K193 WeakPolarHBondContact OE1-CD 3.4Å; E190-K193 VanDerWaalsContact OE1-CE 3.27Å; E190-K193 WeakPolarHBondContact OE1-CE 3.25Å; E190-K193 IonicContact OE1-NZ 3.79Å; E190-K193 PolarHBondContact OE1-NZ 2.75Å; E190-K193 IonicContact OE2-NZ 3.61Å; P191-K193 PolarHBondContact O-N 3.09Å; P191-K193 VanDerWaalsContact O-N 3.13Å; K193-N229 CarbonylContact O-C 3.54Å; K193-N229 WeakPolarHBondContact O-CA 3.41Å; K193-D230 PolarHBondContact O-N 2.89Å
194I98.6Very high97.7Very high19 Ų1933.6 Ų33.610%0.09719%0.189CC..EExtended strand (participates in β ladder)trans-128.7119.8-176.6-55-64.5000109.1N170 N188 G189 E190 E227 F228 N229N170-I194 WeakPolarHBondContact CB-O 3.22Å; N188-I194 WeakPolarHBondContact O-CB 3.47Å; G189-I194 WeakPolarHBondContact CA-O 3.23Å; E190-I194 HydrophobicContact CB-CB 4.44Å; E190-I194 PolarHBondContact N-O 2.81Å; E190-I194 PolarHBondContact O-N 3.13Å; E190-I194 VanDerWaalsContact O-O 3.13Å; I194-E227 HydrophobicContact CG2-CG 4.12Å; I194-F228 WeakPolarHBondContact CA-O 3.36Å; I194-N229 HydrophobicContact CD1-CB 3.76Å; I194-N229 WeakPolarHBondContact CD1-OD1 3.45Å
195L98.8Very high97.7Very high20 Ų2030.5 Ų30.511%0.10517%0.168CC..EExtended strand (participates in β ladder)trans-120.3124.2179.1-59.389.6000110.1I198 D200 E227 F228 D230L195-I198 HydrophobicContact CB-CG1 4.3Å; L195-I198 HydrophobicContact CD2-CD1 4.35Å; L195-I198 HydrophobicContact CD2-CG1 4.34Å; L195-D200 HydrophobicContact CD1-CB 4.09Å; L195-D200 HydrophobicContact CD2-CB 4.4Å; L195-E227 CarbonylContact O-C 3.47Å; L195-E227 WeakPolarHBondContact O-CA 3.35Å; L195-F228 HydrophobicContact CB-CB 4.38Å; L195-F228 PolarHBondContact N-O 2.92Å; L195-F228 PolarHBondContact O-N 2.99Å; L195-D230 WeakPolarHBondContact CD1-OD2 3.43Å
196N98.8Very high97.6Very high0 Ų029.7 Ų29.70%016%0.163CC..EExtended strand (participates in β ladder)trans-112.6127.3177.4-60.3-81.1000110.9N170 V172 T186 N188 I198 Y225 A226N170-N196 WeakPolarHBondContact O-CB 3.47Å; N170-N196 PolarHBondContact O-N 3.45Å; N170-N196 VanDerWaalsContact O-N 3.11Å; N170-N196 PolarHBondContact O-ND2 2.94Å; N170-N196 VanDerWaalsContact O-ND2 3.1Å; V172-N196 HydrophobicContact CG2-CB 3.96Å; V172-N196 WeakPolarHBondContact CG2-O 3.41Å; T186-N196 HydrophobicContact CG2-CB 3.9Å; N188-N196 PolarHBondContact OD1-ND2 2.99Å; N196-I198 PolarHBondContact O-N 3.11Å; N196-Y225 HydrophobicContact CB-CD2 4.35Å; N196-Y225 HydrophobicContact CB-CE2 4.5Å; N196-A226 WeakPolarHBondContact CA-O 3.47Å
197G98.4Very high97.4Very high0 Ų029.5 Ų29.50%016%0.162CC..SBendtrans75.13.9172.800000115.6G213 F214 A226G197-G213 VanDerWaalsContact C-C 3.41Å; G197-G213 WeakPolarHBondContact CA-O 3.36Å; G197-G213 CarbonylContact O-C 3.58Å; G197-G213 WeakPolarHBondContact O-CA 3.41Å; G197-G213 PolarHBondContact O-N 2.89Å; G197-G213 VanDerWaalsContact O-N 3.07Å; G197-F214 WeakPolarHBondContact O-CD1 3.39Å; G197-F214 PolarHBondContact O-N 3.15Å; G197-A226 PolarHBondContact N-O 2.97Å
198I98.4Very high97.3Very high12 Ų1225.3 Ų25.36%0.06213%0.133CC..SBendtrans-138.3146.6169.553.9177.9000108.2Q153 F154 V167 L195 N196 F228Q153-I198 HydrophobicContact CB-CD1 3.98Å; Q153-I198 HydrophobicContact CG-CD1 4.39Å; F154-I198 HydrophobicContact CB-CG2 3.55Å; F154-I198 HydrophobicContact CG-CG2 4.33Å; V167-I198 HydrophobicContact CB-CG2 3.99Å; V167-I198 HydrophobicContact CG1-CD1 3.86Å; V167-I198 HydrophobicContact CG1-CG1 4.06Å; V167-I198 HydrophobicContact CG1-CG2 4.09Å; V167-I198 HydrophobicContact CG2-CG2 3.94Å; L195-I198 HydrophobicContact CB-CG1 4.3Å; L195-I198 HydrophobicContact CD2-CD1 4.35Å; L195-I198 HydrophobicContact CD2-CG1 4.34Å; N196-I198 PolarHBondContact O-N 3.11Å; I198-F228 WeakPolarHBondContact O-CD2 3.46Å; I198-F228 VanDerWaalsContact O-CE2 3.26Å; I198-F228 WeakPolarHBondContact O-CE2 3.23Å
199P98.2Very high97.2Very high7 Ų724.3 Ų24.35%0.04513%0.132CC..  trans-71.115517530.8-33.8000112E204 F208 S210 N211 F228P199-E204 HydrophobicContact CB-CB 4.19Å; P199-E204 HydrophobicContact CG-CB 3.8Å; P199-E204 HydrophobicContact CG-CG 4.3Å; P199-F208 HydrophobicContact CB-CD2 4.05Å; P199-F208 HydrophobicContact CB-CE2 4.41Å; P199-F208 HydrophobicContact CG-CD2 4.44Å; P199-S210 WeakPolarHBondContact CG-O 3.36Å; P199-N211 VanDerWaalsContact CD-C 3.49Å; P199-N211 VanDerWaalsContact CD-O 3.29Å; P199-N211 WeakPolarHBondContact CD-O 3.31Å; P199-F228 HydrophobicContact CB-CE2 4.38Å; P199-F228 HydrophobicContact CB-CZ 4.46Å
200D98.1Very high97Very high5 Ų525.3 Ų25.33%0.02714%0.137CC..  trans-74.3179.7159.572.2-54.5000110.7L195 V202 Y203 E204 F228 D230 P262L195-D200 HydrophobicContact CD1-CB 4.09Å; L195-D200 HydrophobicContact CD2-CB 4.4Å; D200-V202 PolarHBondContact O-N 3.23Å; D200-V202 WeakPolarHBondContact OD2-CG1 3.46Å; D200-V202 PolarHBondContact OD2-N 3.45Å; D200-Y203 PolarHBondContact O-N 3.43Å; D200-Y203 WeakPolarHBondContact OD1-CB 3.23Å; D200-Y203 WeakPolarHBondContact OD1-CD2 3.21Å; D200-E204 WeakPolarHBondContact O-CB 3.35Å; D200-E204 PolarHBondContact O-N 3.46Å; D200-F228 HydrophobicContact CB-CB 4.46Å; D200-D230 WeakPolarHBondContact CB-OD2 3.43Å; D200-P262 WeakPolarHBondContact OD2-CG 3.4Å
201W98.2Very high96.9Very high7 Ų722.2 Ų22.23%0.02712%0.123CC..Hα-helixtrans-57.7-47.3-173.1-175.194.1000112.1W124 E204 E205 I252 Y254 D646 D690 N691W124-W201 AromaticContact CD1-CD1 3.85Å; W124-W201 AromaticContact CD2-CD1 3.69Å; W124-W201 AromaticContact CE2-CD1 3.85Å; W124-W201 AromaticContact CG-CD1 3.75Å; W124-W201 AromaticContact NE1-CD1 3.89Å; W201-E204 PolarHBondContact O-N 3.23Å; W201-E205 HydrophobicContact CH2-CB 4.04Å; W201-E205 HydrophobicContact CH2-CG 3.78Å; W201-E205 HydrophobicContact CZ2-CB 4.1Å; W201-E205 HydrophobicContact CZ2-CG 3.91Å; W201-E205 HydrophobicContact CZ3-CB 4.31Å; W201-E205 HydrophobicContact CZ3-CG 4.45Å; W201-E205 WeakPolarHBondContact O-CB 3.43Å; W201-E205 PolarHBondContact O-N 3.13Å; W201-I252 HydrophobicContact CB-CG2 3.91Å; W201-I252 HydrophobicContact CG-CG2 4.13Å; W201-Y254 AromaticContact CD2-CD2 3.81Å; W201-Y254 HydrophobicContact CD2-CD2 3.81Å; W201-Y254 HydrophobicContact CD2-CE2 4Å; W201-Y254 AromaticContact CE3-CD2 3.46Å; W201-Y254 HydrophobicContact CE3-CD2 3.46Å; W201-Y254 VanDerWaalsContact CE3-CD2 3.46Å; W201-Y254 AromaticContact CE3-CE2 3.53Å; W201-Y254 HydrophobicContact CE3-CE2 3.53Å; W201-Y254 HydrophobicContact CE3-CG 4.45Å; W201-Y254 HydrophobicContact CH2-CD2 4.11Å; W201-Y254 AromaticContact CH2-CE2 3.29Å; W201-Y254 HydrophobicContact CH2-CE2 3.29Å; W201-Y254 HydrophobicContact CZ2-CD2 4.37Å; W201-Y254 AromaticContact CZ2-CE2 3.74Å; W201-Y254 HydrophobicContact CZ2-CE2 3.74Å; W201-Y254 AromaticContact CZ3-CD2 3.63Å; W201-Y254 HydrophobicContact CZ3-CD2 3.63Å; W201-Y254 AromaticContact CZ3-CE2 3.16Å; W201-Y254 HydrophobicContact CZ3-CE2 3.16Å; W201-Y254 AromaticContact CZ3-CZ 3.86Å; W201-D646 HydrophobicContact CH2-CB 4.43Å; W201-D646 HydrophobicContact CZ3-CB 3.8Å; W201-D690 WeakPolarHBondContact CZ2-O 3.4Å; W201-D690 PolarHBondContact NE1-O 3.2Å; W201-D690 PolarHBondContact NE1-OD2 3.43Å; W201-N691 HydrophobicContact CZ2-CB 3.79Å
202V98.1Very high97Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-74-33.3-172.983.50000112D200 E206 P255 P262 D646 I648D200-V202 PolarHBondContact O-N 3.23Å; D200-V202 WeakPolarHBondContact OD2-CG1 3.46Å; D200-V202 PolarHBondContact OD2-N 3.45Å; V202-E206 HydrophobicContact CG2-CB 4.44Å; V202-E206 HydrophobicContact CG2-CG 4.5Å; V202-E206 WeakPolarHBondContact O-CB 3.24Å; V202-E206 PolarHBondContact O-N 2.99Å; V202-P255 HydrophobicContact CB-CG 4.04Å; V202-P255 HydrophobicContact CG1-CG 3.97Å; V202-P255 HydrophobicContact CG2-CG 4.06Å; V202-P262 HydrophobicContact CG1-CG 3.74Å; V202-D646 HydrophobicContact CG2-CB 4.08Å; V202-I648 HydrophobicContact CB-CD1 4.31Å; V202-I648 HydrophobicContact CG1-CD1 3.75Å; V202-I648 HydrophobicContact CG1-CG1 4.31Å; V202-I648 HydrophobicContact CG2-CB 3.96Å; V202-I648 HydrophobicContact CG2-CD1 3.76Å; V202-I648 HydrophobicContact CG2-CG1 3.64Å
203Y98.3Very high97.3Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-71.4-38.1173.3-89.6-99.2000112.4D200 M207 F208 F228 P262 V264 Y292 L293D200-Y203 PolarHBondContact O-N 3.43Å; D200-Y203 WeakPolarHBondContact OD1-CB 3.23Å; D200-Y203 WeakPolarHBondContact OD1-CD2 3.21Å; Y203-M207 HydrophobicContact CD1-CB 3.78Å; Y203-M207 HydrophobicContact CD1-CG 3.86Å; Y203-M207 HydrophobicContact CE1-CB 4.36Å; Y203-M207 HydrophobicContact CE1-CG 4.02Å; Y203-M207 HydrophobicContact CG-CB 4.29Å; Y203-M207 PolarHBondContact O-N 3.17Å; Y203-F208 HydrophobicContact CD1-CD1 4.49Å; Y203-F208 HydrophobicContact CD1-CD2 4.46Å; Y203-F208 HydrophobicContact CD1-CE1 4.05Å; Y203-F208 HydrophobicContact CD1-CE2 4.02Å; Y203-F208 AromaticContact CD1-CZ 3.78Å; Y203-F208 HydrophobicContact CD1-CZ 3.78Å; Y203-F208 HydrophobicContact CE1-CE1 4.47Å; Y203-F208 HydrophobicContact CE1-CZ 4.26Å; Y203-F208 PolarHBondContact O-N 3.32Å; Y203-F228 HydrophobicContact CD1-CD1 4.39Å; Y203-F228 AromaticContact CD1-CE1 3.52Å; Y203-F228 HydrophobicContact CD1-CE1 3.52Å; Y203-F228 HydrophobicContact CD1-CZ 4.21Å; Y203-F228 AromaticContact CD2-CD1 3.76Å; Y203-F228 HydrophobicContact CD2-CD1 3.76Å; Y203-F228 AromaticContact CD2-CE1 3.71Å; Y203-F228 HydrophobicContact CD2-CE1 3.71Å; Y203-F228 AromaticContact CE1-CE1 3.74Å; Y203-F228 HydrophobicContact CE1-CE1 3.74Å; Y203-F228 AromaticContact CE2-CD1 3.92Å; Y203-F228 HydrophobicContact CE2-CD1 3.92Å; Y203-F228 AromaticContact CE2-CE1 3.92Å; Y203-F228 HydrophobicContact CE2-CE1 3.92Å; Y203-F228 AromaticContact CG-CD1 3.98Å; Y203-F228 HydrophobicContact CG-CD1 3.98Å; Y203-F228 AromaticContact CG-CE1 3.48Å; Y203-F228 HydrophobicContact CG-CE1 3.48Å; Y203-F228 VanDerWaalsContact CG-CE1 3.48Å; Y203-F228 HydrophobicContact CG-CZ 4.3Å; Y203-F228 AromaticContact CZ-CE1 3.92Å; Y203-P262 HydrophobicContact CD2-CG 4.46Å; Y203-P262 HydrophobicContact CE2-CB 4.2Å; Y203-P262 HydrophobicContact CE2-CG 4.44Å; Y203-V264 WeakPolarHBondContact OH-CG1 3.31Å; Y203-Y292 HydrophobicContact CE2-CD1 4.34Å; Y203-Y292 VanDerWaalsContact OH-CA 3.26Å; Y203-Y292 WeakPolarHBondContact OH-CA 3.4Å; Y203-L293 HydrophobicContact CE1-CB 4.23Å; Y203-L293 VanDerWaalsContact CE1-O 3.31Å; Y203-L293 WeakPolarHBondContact CE1-O 3.44Å; Y203-L293 PolarHBondContact OH-N 2.88Å
204E97.6Very high97.3Very high5 Ų514.4 Ų14.42%0.0238%0.079CC..Iπ-helixtrans-60.2-52.1177.4-175.3-178.314600110.5R125 H126 S127 P199 D200 W201 S209 S210R125-E204 PolarHBondContact N-OE1 2.89Å; H126-E204 WeakPolarHBondContact CA-OE1 3.22Å; H126-E204 HydrophobicContact CB-CG 4.16Å; H126-E204 WeakPolarHBondContact CB-OE1 3.33Å; H126-E204 PolarHBondContact N-OE1 2.87Å; S127-E204 WeakPolarHBondContact CB-OE2 3.47Å; S127-E204 PolarHBondContact N-OE1 3.46Å; S127-E204 VanDerWaalsContact OG-CD 3.23Å; S127-E204 PolarHBondContact OG-OE1 2.81Å; S127-E204 VanDerWaalsContact OG-OE1 3.06Å; S127-E204 PolarHBondContact OG-OE2 3.47Å; P199-E204 HydrophobicContact CB-CB 4.19Å; P199-E204 HydrophobicContact CG-CB 3.8Å; P199-E204 HydrophobicContact CG-CG 4.3Å; D200-E204 WeakPolarHBondContact O-CB 3.35Å; D200-E204 PolarHBondContact O-N 3.46Å; W201-E204 PolarHBondContact O-N 3.23Å; E204-S209 WeakPolarHBondContact O-CA 3.46Å; E204-S209 PolarHBondContact O-N 2.87Å; E204-S210 PolarHBondContact O-N 3Å
205E96.1Very high97.3Very high9 Ų915 Ų154%0.0428%0.08CC..Iπ-helixtrans-75.5-47.1-172.8-177.663.6-160.500111.9R125 W201 N691R125-E205 WeakPolarHBondContact CB-OE2 3.3Å; R125-E205 VanDerWaalsContact CD-OE2 3.31Å; R125-E205 WeakPolarHBondContact CD-OE2 3.49Å; R125-E205 IonicContact CZ-OE1 2.82Å; R125-E205 IonicContact CZ-OE2 3.69Å; R125-E205 IonicContact NE-OE1 2.74Å; R125-E205 PolarHBondContact NE-OE1 2.96Å; R125-E205 IonicContact NE-OE2 2.67Å; R125-E205 PolarHBondContact NE-OE2 3.15Å; R125-E205 IonicContact NH1-OE1 3.68Å; R125-E205 IonicContact NH2-OE1 2.76Å; R125-E205 PolarHBondContact NH2-OE1 2.89Å; R125-E205 IonicContact NH2-OE2 3.6Å; W201-E205 HydrophobicContact CH2-CB 4.04Å; W201-E205 HydrophobicContact CH2-CG 3.78Å; W201-E205 HydrophobicContact CZ2-CB 4.1Å; W201-E205 HydrophobicContact CZ2-CG 3.91Å; W201-E205 HydrophobicContact CZ3-CB 4.31Å; W201-E205 HydrophobicContact CZ3-CG 4.45Å; W201-E205 WeakPolarHBondContact O-CB 3.43Å; W201-E205 PolarHBondContact O-N 3.13Å; E205-N691 PolarHBondContact OE1-ND2 2.82Å
206E96.5Very high97.3Very high3 Ų315.4 Ų15.41%0.0148%0.08CC..Iπ-helixtrans-114.2-10.7-159.9-64.7-66.9164.200115.5V202 F345 D646 I648 Y649 R652V202-E206 HydrophobicContact CG2-CB 4.44Å; V202-E206 HydrophobicContact CG2-CG 4.5Å; V202-E206 WeakPolarHBondContact O-CB 3.24Å; V202-E206 PolarHBondContact O-N 2.99Å; E206-F345 WeakPolarHBondContact OE2-CZ 3.36Å; E206-D646 WeakPolarHBondContact CG-OD1 3.37Å; E206-I648 HydrophobicContact CB-CB 3.67Å; E206-I648 HydrophobicContact CB-CG2 3.52Å; E206-I648 HydrophobicContact CG-CB 4.45Å; E206-Y649 WeakPolarHBondContact OE2-CD2 3.38Å; E206-R652 PolarHBondContact O-NH2 3.48Å; E206-R652 IonicContact OE2-NH1 2.73Å
207M96Very high97.3Very high4 Ų415.4 Ų15.42%0.028%0.08CC..Iπ-helixtrans-113.8-59.7177.8-167.157.755.300112.2Y203 Y292 A294 L309 S346 I648Y203-M207 HydrophobicContact CD1-CB 3.78Å; Y203-M207 HydrophobicContact CD1-CG 3.86Å; Y203-M207 HydrophobicContact CE1-CB 4.36Å; Y203-M207 HydrophobicContact CE1-CG 4.02Å; Y203-M207 HydrophobicContact CG-CB 4.29Å; Y203-M207 PolarHBondContact O-N 3.17Å; M207-Y292 HydrophobicContact CE-CD2 3.71Å; M207-Y292 HydrophobicContact CE-CE2 4.44Å; M207-Y292 HydrophobicContact CE-CG 3.78Å; M207-A294 HydrophobicContact SD-CB 3.97Å; M207-L309 HydrophobicContact CE-CD2 4.07Å; M207-L309 HydrophobicContact SD-CD2 4.27Å; M207-S346 PolarHBondContact O-OG 2.85Å; M207-S346 VanDerWaalsContact O-OG 3.07Å; M207-I648 HydrophobicContact CB-CD1 4.44Å; M207-I648 HydrophobicContact CE-CD1 4.07Å; M207-I648 HydrophobicContact CE-CG2 3.8Å
208F95.6Very high97.2Very high35 Ų3518.5 Ų18.515%0.15410%0.1CC..Iπ-helixtrans-91.6-28.7-172.6-64.8-20000114.1P199 Y203 S210 W215 F228 L293 A294P199-F208 HydrophobicContact CB-CD2 4.05Å; P199-F208 HydrophobicContact CB-CE2 4.41Å; P199-F208 HydrophobicContact CG-CD2 4.44Å; Y203-F208 HydrophobicContact CD1-CD1 4.49Å; Y203-F208 HydrophobicContact CD1-CD2 4.46Å; Y203-F208 HydrophobicContact CD1-CE1 4.05Å; Y203-F208 HydrophobicContact CD1-CE2 4.02Å; Y203-F208 AromaticContact CD1-CZ 3.78Å; Y203-F208 HydrophobicContact CD1-CZ 3.78Å; Y203-F208 HydrophobicContact CE1-CE1 4.47Å; Y203-F208 HydrophobicContact CE1-CZ 4.26Å; Y203-F208 PolarHBondContact O-N 3.32Å; F208-S210 PolarHBondContact O-N 2.84Å; F208-W215 HydrophobicContact CE2-CH2 4.18Å; F208-W215 HydrophobicContact CE2-CZ2 4.25Å; F208-W215 HydrophobicContact CZ-CH2 4.14Å; F208-W215 HydrophobicContact CZ-CZ2 4.28Å; F208-F228 HydrophobicContact CE2-CE1 4.45Å; F208-F228 AromaticContact CE2-CZ 3.73Å; F208-F228 HydrophobicContact CE2-CZ 3.73Å; F208-F228 HydrophobicContact CZ-CZ 4.17Å; F208-L293 WeakPolarHBondContact CE1-O 3.41Å; F208-L293 HydrophobicContact CZ-CD2 4.36Å; F208-L293 HydrophobicContact CZ-CG 4.34Å; F208-A294 WeakPolarHBondContact CE1-O 3.48Å
209S94.8Very high97.1Very high51 Ų5119.7 Ų19.736%0.35712%0.116SC..SBendtrans50.243.2-170.8-55.70000112H126 E204H126-S209 PolarHBondContact CE1-O 3.27Å; H126-S209 VanDerWaalsContact CE1-O 3.29Å; H126-S209 VanDerWaalsContact NE2-C 3.32Å; H126-S209 PolarHBondContact NE2-O 2.83Å; E204-S209 WeakPolarHBondContact O-CA 3.46Å; E204-S209 PolarHBondContact O-N 2.87Å
210S95.4Very high97.1Very high35 Ų3519.5 Ų19.525%0.24512%0.115CC..SBendtrans-165151.6-173179.70000109.7P199 E204 F208 Q212P199-S210 WeakPolarHBondContact CG-O 3.36Å; E204-S210 PolarHBondContact O-N 3Å; F208-S210 PolarHBondContact O-N 2.84Å; S210-Q212 VanDerWaalsContact C-N 3.27Å; S210-Q212 WeakPolarHBondContact OG-CB 3.38Å; S210-Q212 PolarHBondContact OG-N 3.46Å
211N95.9Very high97Very high21 Ų2123.2 Ų23.211%0.11213%0.131CC..SBendtrans-87.87.8171.669.8-27.5000113.6H126 P199H126-N211 HydrophobicContact CB-CB 4.31Å; P199-N211 VanDerWaalsContact CD-C 3.49Å; P199-N211 VanDerWaalsContact CD-O 3.29Å; P199-N211 WeakPolarHBondContact CD-O 3.31Å
212Q95.9Very high97.1Very high69 Ų6924 Ų2432%0.32213%0.134SC..  trans-83.5120.6179.5179.6174.3-8.700110.8F154 S210 F214F154-Q212 HydrophobicContact CE1-CB 4.29Å; F154-Q212 HydrophobicContact CE1-CG 3.97Å; F154-Q212 HydrophobicContact CE2-CB 4.21Å; F154-Q212 HydrophobicContact CZ-CB 3.76Å; F154-Q212 HydrophobicContact CZ-CG 3.73Å; S210-Q212 VanDerWaalsContact C-N 3.27Å; S210-Q212 WeakPolarHBondContact OG-CB 3.38Å; S210-Q212 PolarHBondContact OG-N 3.46Å; Q212-F214 WeakPolarHBondContact CG-O 3.33Å; Q212-F214 PolarHBondContact NE2-O 3.05Å
213G97.1Very high97.1Very high0 Ų024 Ų240%013%0.134CC..  trans-121.79.2171.800000114G197 W215 Y225 A226G197-G213 VanDerWaalsContact C-C 3.41Å; G197-G213 WeakPolarHBondContact CA-O 3.36Å; G197-G213 CarbonylContact O-C 3.58Å; G197-G213 WeakPolarHBondContact O-CA 3.41Å; G197-G213 PolarHBondContact O-N 2.89Å; G197-G213 VanDerWaalsContact O-N 3.07Å; G213-W215 VanDerWaalsContact O-CZ3 3.25Å; G213-W215 WeakPolarHBondContact O-CZ3 3.26Å; G213-Y225 WeakPolarHBondContact O-CA 3.42Å; G213-A226 PolarHBondContact O-N 3.22Å
214F98.4Very high97.1Very high1 Ų124 Ų240%0.00413%0.134CC..EExtended strand (participates in β ladder)trans-134.2154.4170.473.7-119.5000111.8F154 A156 A165 V167 G197 Q212 W216 L223 A224F154-F214 AromaticContact CD1-CD1 3.7Å; F154-F214 HydrophobicContact CD1-CD1 3.7Å; F154-F214 AromaticContact CD1-CE1 3.24Å; F154-F214 HydrophobicContact CD1-CE1 3.24Å; F154-F214 HydrophobicContact CD1-CE2 4.28Å; F154-F214 HydrophobicContact CD1-CG 4.41Å; F154-F214 AromaticContact CD1-CZ 3.55Å; F154-F214 HydrophobicContact CD1-CZ 3.55Å; F154-F214 AromaticContact CE1-CD1 3.98Å; F154-F214 HydrophobicContact CE1-CD1 3.98Å; F154-F214 HydrophobicContact CE1-CD2 4.16Å; F154-F214 AromaticContact CE1-CE1 3.62Å; F154-F214 HydrophobicContact CE1-CE1 3.62Å; F154-F214 AromaticContact CE1-CE2 3.79Å; F154-F214 HydrophobicContact CE1-CE2 3.79Å; F154-F214 HydrophobicContact CE1-CG 4.23Å; F154-F214 AromaticContact CE1-CZ 3.49Å; F154-F214 HydrophobicContact CE1-CZ 3.49Å; F154-F214 VanDerWaalsContact CE1-CZ 3.49Å; F154-F214 HydrophobicContact CG-CE1 4.4Å; A156-F214 HydrophobicContact CB-CE2 3.73Å; A156-F214 HydrophobicContact CB-CZ 3.86Å; A165-F214 HydrophobicContact CB-CE1 4.27Å; A165-F214 HydrophobicContact CB-CE2 4.11Å; A165-F214 HydrophobicContact CB-CZ 3.81Å; V167-F214 HydrophobicContact CG2-CD1 3.99Å; V167-F214 HydrophobicContact CG2-CE1 3.99Å; G197-F214 WeakPolarHBondContact O-CD1 3.39Å; G197-F214 PolarHBondContact O-N 3.15Å; Q212-F214 WeakPolarHBondContact CG-O 3.33Å; Q212-F214 PolarHBondContact NE2-O 3.05Å; F214-W216 AromaticContact CE2-CD1 3.98Å; F214-W216 AromaticContact CE2-NE1 3.74Å; F214-L223 HydrophobicContact CB-CD1 4.32Å; F214-L223 HydrophobicContact CD2-CD1 3.49Å; F214-L223 VanDerWaalsContact CD2-CD1 3.49Å; F214-L223 HydrophobicContact CD2-CG 4.4Å; F214-L223 HydrophobicContact CE2-CD1 4.06Å; F214-L223 HydrophobicContact CG-CD1 4.16Å; F214-A224 CarbonylContact C-O 3.59Å; F214-A224 WeakPolarHBondContact CA-O 3.34Å; F214-A224 VanDerWaalsContact CB-O 3.23Å; F214-A224 WeakPolarHBondContact CB-O 3.24Å
215W98.5Very high97.2Very high32 Ų3224.4 Ų24.412%0.12114%0.135CC..EExtended strand (participates in β ladder)trans-139.9122-175.4-53.7-97.9000110.7F208 G213 A224 A226 L266 V296 W298F208-W215 HydrophobicContact CE2-CH2 4.18Å; F208-W215 HydrophobicContact CE2-CZ2 4.25Å; F208-W215 HydrophobicContact CZ-CH2 4.14Å; F208-W215 HydrophobicContact CZ-CZ2 4.28Å; G213-W215 VanDerWaalsContact O-CZ3 3.25Å; G213-W215 WeakPolarHBondContact O-CZ3 3.26Å; W215-A224 HydrophobicContact CE3-CB 4.35Å; W215-A224 PolarHBondContact N-O 2.72Å; W215-A224 PolarHBondContact O-N 3.18Å; W215-A226 HydrophobicContact CH2-CB 4.24Å; W215-A226 HydrophobicContact CZ3-CB 4.15Å; W215-L266 HydrophobicContact CE3-CD1 4.49Å; W215-L266 HydrophobicContact CZ3-CD1 4.08Å; W215-V296 HydrophobicContact CB-CG1 4.47Å; W215-V296 HydrophobicContact CD2-CB 3.76Å; W215-V296 HydrophobicContact CD2-CG1 3.97Å; W215-V296 HydrophobicContact CD2-CG2 4.33Å; W215-V296 HydrophobicContact CE3-CB 3.86Å; W215-V296 HydrophobicContact CE3-CG1 3.88Å; W215-V296 HydrophobicContact CE3-CG2 4.01Å; W215-V296 HydrophobicContact CG-CB 4.26Å; W215-V296 HydrophobicContact CG-CG1 4.23Å; W215-V296 HydrophobicContact CH2-CB 4.32Å; W215-V296 HydrophobicContact CH2-CG2 3.91Å; W215-V296 HydrophobicContact CZ2-CB 4.23Å; W215-V296 HydrophobicContact CZ2-CG2 4.23Å; W215-V296 HydrophobicContact CZ3-CB 4.14Å; W215-V296 HydrophobicContact CZ3-CG1 4.48Å; W215-V296 HydrophobicContact CZ3-CG2 3.79Å; W215-W298 PolarHBondContact O-NE1 3Å
216W98.6Very high97.3Very high28 Ų2824 Ų2411%0.10613%0.133CC..EExtended strand (participates in β ladder)trans-73.6140173.6-7598.3000111.7A158 P159 K163 A165 L174 F214 L223 T271 W298A158-W216 HydrophobicContact CB-CD2 3.8Å; A158-W216 HydrophobicContact CB-CE3 3.75Å; A158-W216 HydrophobicContact CB-CG 4.46Å; A158-W216 HydrophobicContact CB-CH2 3.9Å; A158-W216 HydrophobicContact CB-CZ2 3.99Å; A158-W216 HydrophobicContact CB-CZ3 3.79Å; P159-W216 HydrophobicContact CG-CB 3.98Å; K163-W216 HydrophobicContact CB-CH2 3.92Å; K163-W216 HydrophobicContact CB-CZ3 4.41Å; A165-W216 HydrophobicContact CB-CH2 4.49Å; A165-W216 HydrophobicContact CB-CZ2 3.54Å; L174-W216 HydrophobicContact CD1-CH2 3.44Å; L174-W216 VanDerWaalsContact CD1-CH2 3.44Å; L174-W216 HydrophobicContact CD1-CZ2 4.08Å; L174-W216 HydrophobicContact CD1-CZ3 4.35Å; F214-W216 AromaticContact CE2-CD1 3.98Å; F214-W216 AromaticContact CE2-NE1 3.74Å; W216-L223 HydrophobicContact CB-CD1 4.45Å; W216-L223 HydrophobicContact CD2-CD1 3.64Å; W216-L223 HydrophobicContact CE3-CB 4.44Å; W216-L223 HydrophobicContact CE3-CD1 4.15Å; W216-L223 HydrophobicContact CG-CD1 3.76Å; W216-L223 HydrophobicContact CZ2-CD1 4.39Å; W216-T271 HydrophobicContact CE3-CG2 4.38Å; W216-T271 HydrophobicContact CH2-CG2 4.15Å; W216-T271 HydrophobicContact CZ3-CG2 3.54Å; W216-W298 PolarHBondContact O-NE1 3.38Å
217S98.4Very high97.4Very high0 Ų025.1 Ų25.10%014%0.138CC..  trans-65.4154.7166.1840000110.7P159 G219 G220 K221 Y222 D301P159-S217 WeakPolarHBondContact CG-O 3.19Å; S217-G219 VanDerWaalsContact C-N 3.29Å; S217-G219 PolarHBondContact O-N 3.25Å; S217-G220 WeakPolarHBondContact O-CA 3.34Å; S217-G220 PolarHBondContact O-N 3.25Å; S217-K221 PolarHBondContact OG-N 2.83Å; S217-Y222 WeakPolarHBondContact CB-O 3.36Å; S217-Y222 PolarHBondContact N-O 3.45Å; S217-Y222 PolarHBondContact OG-N 3.47Å; S217-Y222 PolarHBondContact OG-O 3.45Å; S217-D301 WeakPolarHBondContact CB-OD1 3.39Å; S217-D301 PolarHBondContact OG-OD1 2.76Å
218P97Very high97.5Very high64 Ų6424.9 Ų24.942%0.41614%0.137SC..THydrogen-bonded Turntrans-61.8-31.9-168.2-25.336.9000114.6P159 W298 D301P159-P218 WeakPolarHBondContact CG-O 3.23Å; P218-W298 HydrophobicContact CG-CB 4.11Å; P218-D301 WeakPolarHBondContact CD-OD1 3.45Å
219G97.1Very high97.7Very high38 Ų3825.8 Ų25.839%0.39214%0.144SC..THydrogen-bonded Turntrans-89.7-0.6173.800000114.2S217 K221 D301S217-G219 VanDerWaalsContact C-N 3.29Å; S217-G219 PolarHBondContact O-N 3.25Å; G219-K221 VanDerWaalsContact C-N 3.27Å; G219-K221 PolarHBondContact O-N 2.85Å; G219-D301 WeakPolarHBondContact CA-OD1 3.35Å; G219-D301 WeakPolarHBondContact CA-OD2 3.48Å; G219-D301 PolarHBondContact N-OD1 2.86Å
220G97.4Very high97.9Very high3 Ų323.5 Ų23.53%0.03113%0.128CC..SBendtrans71.318.3-178.900000114.2S217 T271S217-G220 WeakPolarHBondContact O-CA 3.34Å; S217-G220 PolarHBondContact O-N 3.25Å; G220-T271 PolarHBondContact O-OG1 3.04Å; G220-T271 VanDerWaalsContact O-OG1 3.07Å
221K97.2Very high98Very high82 Ų8225.6 Ų25.636%0.35714%0.139SC..SBendtrans-76.7-39.7178.3-178.9163.1-179.3161.90112.4S217 G219 T271 D301S217-K221 PolarHBondContact OG-N 2.83Å; G219-K221 VanDerWaalsContact C-N 3.27Å; G219-K221 PolarHBondContact O-N 2.85Å; K221-T271 WeakPolarHBondContact O-CB 3.19Å; K221-T271 WeakPolarHBondContact O-CG2 3.45Å; K221-T271 PolarHBondContact O-N 3.14Å; K221-T271 PolarHBondContact O-OG1 3.02Å; K221-D301 HydrophobicContact CB-CB 4.43Å
222Y98.5Very high98.1Very high24 Ų2430.7 Ų30.79%0.09417%0.166CC..EExtended strand (participates in β ladder)trans-121.4155.4179.8-59.4-79.9000111.5S217 V268 V269 D270 D301 L323S217-Y222 WeakPolarHBondContact CB-O 3.36Å; S217-Y222 PolarHBondContact N-O 3.45Å; S217-Y222 PolarHBondContact OG-N 3.47Å; S217-Y222 PolarHBondContact OG-O 3.45Å; Y222-V268 HydrophobicContact CD1-CG1 4.09Å; Y222-V268 HydrophobicContact CG-CG1 4.15Å; Y222-V269 VanDerWaalsContact CA-O 3.32Å; Y222-V269 WeakPolarHBondContact CA-O 3.27Å; Y222-D270 HydrophobicContact CD1-CB 4.07Å; Y222-D270 HydrophobicContact CE1-CB 3.81Å; Y222-D301 HydrophobicContact CD2-CB 4.44Å; Y222-D301 WeakPolarHBondContact CD2-O 3.06Å; Y222-D301 VanDerWaalsContact CE2-O 3.3Å; Y222-D301 WeakPolarHBondContact CE2-O 3.22Å; Y222-L323 HydrophobicContact CE1-CD2 4.28Å; Y222-L323 HydrophobicContact CE2-CD2 3.86Å; Y222-L323 WeakPolarHBondContact OH-CD2 3.26Å
223L98.6Very high98.2Very high0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-125116.8172-17666.6000108.5A165 V172 F214 W216 V268 V269 T271A165-L223 HydrophobicContact CB-CD2 3.68Å; V172-L223 HydrophobicContact CG1-CD2 3.98Å; F214-L223 HydrophobicContact CB-CD1 4.32Å; F214-L223 HydrophobicContact CD2-CD1 3.49Å; F214-L223 VanDerWaalsContact CD2-CD1 3.49Å; F214-L223 HydrophobicContact CD2-CG 4.4Å; F214-L223 HydrophobicContact CE2-CD1 4.06Å; F214-L223 HydrophobicContact CG-CD1 4.16Å; W216-L223 HydrophobicContact CB-CD1 4.45Å; W216-L223 HydrophobicContact CD2-CD1 3.64Å; W216-L223 HydrophobicContact CE3-CB 4.44Å; W216-L223 HydrophobicContact CE3-CD1 4.15Å; W216-L223 HydrophobicContact CG-CD1 3.76Å; W216-L223 HydrophobicContact CZ2-CD1 4.39Å; L223-V268 WeakPolarHBondContact O-CA 3.35Å; L223-V269 HydrophobicContact CB-CG1 3.82Å; L223-V269 PolarHBondContact N-O 3.17Å; L223-V269 PolarHBondContact O-N 3.34Å; L223-T271 HydrophobicContact CB-CG2 4.12Å
224A98.8Very high98.3Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-84.2138.9168.800000109.3F214 W215 L266 F267 V268 V296 W298 I304F214-A224 CarbonylContact C-O 3.59Å; F214-A224 WeakPolarHBondContact CA-O 3.34Å; F214-A224 VanDerWaalsContact CB-O 3.23Å; F214-A224 WeakPolarHBondContact CB-O 3.24Å; W215-A224 HydrophobicContact CE3-CB 4.35Å; W215-A224 PolarHBondContact N-O 2.72Å; W215-A224 PolarHBondContact O-N 3.18Å; A224-L266 HydrophobicContact CB-CD1 4.25Å; A224-F267 CarbonylContact C-O 3.53Å; A224-F267 WeakPolarHBondContact CA-O 3.11Å; A224-V268 HydrophobicContact CB-CG2 4Å; A224-V296 HydrophobicContact CB-CG1 4.42Å; A224-W298 HydrophobicContact CB-CZ2 3.79Å; A224-I304 HydrophobicContact CB-CD1 4.14Å
225Y98.9Very high98.2Very high13 Ų1337 Ų375%0.05120%0.198CC..EExtended strand (participates in β ladder)trans-141.8143.8172.769.9-87.6000110.9V172 I185 T186 N196 G213 F267 V277V172-Y225 HydrophobicContact CG2-CD2 4.31Å; V172-Y225 HydrophobicContact CG2-CG 4.25Å; I185-Y225 HydrophobicContact CG2-CD1 4.44Å; I185-Y225 HydrophobicContact CG2-CE1 3.83Å; T186-Y225 HydrophobicContact CG2-CD2 4.27Å; T186-Y225 HydrophobicContact CG2-CE1 4.45Å; T186-Y225 HydrophobicContact CG2-CE2 3.48Å; T186-Y225 VanDerWaalsContact CG2-CE2 3.48Å; N196-Y225 HydrophobicContact CB-CD2 4.35Å; N196-Y225 HydrophobicContact CB-CE2 4.5Å; G213-Y225 WeakPolarHBondContact O-CA 3.42Å; Y225-F267 HydrophobicContact CD1-CB 4.11Å; Y225-F267 HydrophobicContact CD2-CB 4.46Å; Y225-F267 HydrophobicContact CE1-CB 3.54Å; Y225-F267 HydrophobicContact CE2-CB 3.94Å; Y225-F267 AromaticContact CE2-CD2 3.81Å; Y225-F267 HydrophobicContact CE2-CD2 3.81Å; Y225-F267 HydrophobicContact CE2-CG 4.22Å; Y225-F267 VanDerWaalsContact CZ-CB 3.44Å; Y225-F267 AromaticContact CZ-CD2 3.99Å; Y225-F267 AromaticContact CZ-CG 3.93Å; Y225-F267 PolarHBondContact N-O 2.91Å; Y225-F267 PolarHBondContact O-N 3.42Å; Y225-V277 HydrophobicContact CE1-CG1 4.36Å
226A98.8Very high98.2Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-89.3138.917300000110.4N196 G197 G213 W215 F228 V264 K265 L293N196-A226 WeakPolarHBondContact CA-O 3.47Å; G197-A226 PolarHBondContact N-O 2.97Å; G213-A226 PolarHBondContact O-N 3.22Å; W215-A226 HydrophobicContact CH2-CB 4.24Å; W215-A226 HydrophobicContact CZ3-CB 4.15Å; A226-F228 HydrophobicContact CB-CD2 4.33Å; A226-F228 HydrophobicContact CB-CE1 4.34Å; A226-F228 HydrophobicContact CB-CE2 3.44Å; A226-F228 VanDerWaalsContact CB-CE2 3.44Å; A226-F228 HydrophobicContact CB-CZ 3.44Å; A226-F228 VanDerWaalsContact CB-CZ 3.44Å; A226-V264 HydrophobicContact CB-CG2 4.26Å; A226-K265 CarbonylContact C-O 3.56Å; A226-K265 VanDerWaalsContact CA-O 3.27Å; A226-K265 WeakPolarHBondContact CA-O 3.3Å; A226-L293 HydrophobicContact CB-CD2 3.96Å
227E98.8Very high98.1Very high27 Ų2741.3 Ų41.313%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-104.7121.4165.8178.9-175.192.600107.6N188 I194 L195 V264 K265 F267N188-E227 PolarHBondContact ND2-OE2 3.34Å; I194-E227 HydrophobicContact CG2-CG 4.12Å; L195-E227 CarbonylContact O-C 3.47Å; L195-E227 WeakPolarHBondContact O-CA 3.35Å; E227-V264 CarbonylContact O-C 3.59Å; E227-V264 WeakPolarHBondContact O-CA 3.38Å; E227-K265 PolarHBondContact N-O 2.69Å; E227-K265 PolarHBondContact O-N 3.16Å; E227-F267 HydrophobicContact CB-CD2 4.22Å; E227-F267 HydrophobicContact CB-CE2 3.89Å
228F98.7Very high98.1Very high0 Ų043.1 Ų43.10%023%0.228CC..EExtended strand (participates in β ladder)trans-105.1128.4174.6-56.9-85.6000109.1I194 L195 I198 P199 D200 Y203 F208 A226 V264I194-F228 WeakPolarHBondContact CA-O 3.36Å; L195-F228 HydrophobicContact CB-CB 4.38Å; L195-F228 PolarHBondContact N-O 2.92Å; L195-F228 PolarHBondContact O-N 2.99Å; I198-F228 WeakPolarHBondContact O-CD2 3.46Å; I198-F228 VanDerWaalsContact O-CE2 3.26Å; I198-F228 WeakPolarHBondContact O-CE2 3.23Å; P199-F228 HydrophobicContact CB-CE2 4.38Å; P199-F228 HydrophobicContact CB-CZ 4.46Å; D200-F228 HydrophobicContact CB-CB 4.46Å; Y203-F228 HydrophobicContact CD1-CD1 4.39Å; Y203-F228 AromaticContact CD1-CE1 3.52Å; Y203-F228 HydrophobicContact CD1-CE1 3.52Å; Y203-F228 HydrophobicContact CD1-CZ 4.21Å; Y203-F228 AromaticContact CD2-CD1 3.76Å; Y203-F228 HydrophobicContact CD2-CD1 3.76Å; Y203-F228 AromaticContact CD2-CE1 3.71Å; Y203-F228 HydrophobicContact CD2-CE1 3.71Å; Y203-F228 AromaticContact CE1-CE1 3.74Å; Y203-F228 HydrophobicContact CE1-CE1 3.74Å; Y203-F228 AromaticContact CE2-CD1 3.92Å; Y203-F228 HydrophobicContact CE2-CD1 3.92Å; Y203-F228 AromaticContact CE2-CE1 3.92Å; Y203-F228 HydrophobicContact CE2-CE1 3.92Å; Y203-F228 AromaticContact CG-CD1 3.98Å; Y203-F228 HydrophobicContact CG-CD1 3.98Å; Y203-F228 AromaticContact CG-CE1 3.48Å; Y203-F228 HydrophobicContact CG-CE1 3.48Å; Y203-F228 VanDerWaalsContact CG-CE1 3.48Å; Y203-F228 HydrophobicContact CG-CZ 4.3Å; Y203-F228 AromaticContact CZ-CE1 3.92Å; F208-F228 HydrophobicContact CE2-CE1 4.45Å; F208-F228 AromaticContact CE2-CZ 3.73Å; F208-F228 HydrophobicContact CE2-CZ 3.73Å; F208-F228 HydrophobicContact CZ-CZ 4.17Å; A226-F228 HydrophobicContact CB-CD2 4.33Å; A226-F228 HydrophobicContact CB-CE1 4.34Å; A226-F228 HydrophobicContact CB-CE2 3.44Å; A226-F228 VanDerWaalsContact CB-CE2 3.44Å; A226-F228 HydrophobicContact CB-CZ 3.44Å; A226-F228 VanDerWaalsContact CB-CZ 3.44Å; F228-V264 HydrophobicContact CD1-CB 4.15Å; F228-V264 HydrophobicContact CD1-CG2 3.85Å; F228-V264 HydrophobicContact CE1-CB 4.18Å; F228-V264 HydrophobicContact CE1-CG2 3.53Å; F228-V264 HydrophobicContact CZ-CG2 4.15Å
229N98.7Very high98.1Very high53 Ų5342.7 Ų42.728%0.28323%0.227SC..EExtended strand (participates in β ladder)trans-116.5105.9179.5-173.8-16.9000111.2K193 I194 T231 P262 V263K193-N229 CarbonylContact O-C 3.54Å; K193-N229 WeakPolarHBondContact O-CA 3.41Å; I194-N229 HydrophobicContact CD1-CB 3.76Å; I194-N229 WeakPolarHBondContact CD1-OD1 3.45Å; N229-T231 WeakPolarHBondContact OD1-CB 3.41Å; N229-T231 PolarHBondContact OD1-N 3.34Å; N229-T231 PolarHBondContact OD1-OG1 2.94Å; N229-P262 WeakPolarHBondContact O-CA 3.47Å; N229-V263 HydrophobicContact CB-CB 4.37Å; N229-V263 PolarHBondContact N-O 3.23Å; N229-V263 PolarHBondContact O-N 3.17Å
230D98.6Very high98.1Very high4 Ų446 Ų462%0.02123%0.228CC..  trans-96.77.3-179.2-67.7-24.3000113.4K193 L195 D200 L232 V233 P253 P262K193-D230 PolarHBondContact O-N 2.89Å; L195-D230 WeakPolarHBondContact CD1-OD2 3.43Å; D200-D230 WeakPolarHBondContact CB-OD2 3.43Å; D230-L232 PolarHBondContact O-N 2.96Å; D230-V233 HydrophobicContact CB-CB 4.17Å; D230-V233 HydrophobicContact CB-CG2 4.19Å; D230-V233 WeakPolarHBondContact O-CB 3.43Å; D230-V233 PolarHBondContact O-N 2.86Å; D230-P253 HydrophobicContact CB-CB 3.73Å; D230-P253 HydrophobicContact CB-CG 3.98Å; D230-P262 WeakPolarHBondContact OD1-CB 3.33Å; D230-P262 WeakPolarHBondContact OD1-CG 3.36Å
231T98.3Very high98.1Very high79 Ų7951.2 Ų51.249%0.48525%0.247SC..THydrogen-bonded Turntrans-57.1-27-173.1-54.80000113.6N229N229-T231 WeakPolarHBondContact OD1-CB 3.41Å; N229-T231 PolarHBondContact OD1-N 3.34Å; N229-T231 PolarHBondContact OD1-OG1 2.94Å
232L98.3Very high98Very high128 Ų12849 Ų4967%0.6725%0.248SC*.THydrogen-bonded Turntrans-103.1-4.9177.6-59.8-178.2000113.6D230 P260D230-L232 PolarHBondContact O-N 2.96Å; L232-P260 HydrophobicContact CB-CB 4.36Å
233V98.6Very high97.9Very high9 Ų957.5 Ų57.56%0.05529%0.288CS..SBendtrans-74.4137.3177.6178.20000108D230 P253 P255 P262D230-V233 HydrophobicContact CB-CB 4.17Å; D230-V233 HydrophobicContact CB-CG2 4.19Å; D230-V233 WeakPolarHBondContact O-CB 3.43Å; D230-V233 PolarHBondContact O-N 2.86Å; V233-P253 HydrophobicContact CB-CB 4.21Å; V233-P253 HydrophobicContact CG1-CB 3.9Å; V233-P255 HydrophobicContact CG1-CB 4.05Å; V233-P255 HydrophobicContact CG1-CG 4.34Å; V233-P262 HydrophobicContact CG2-CG 4.08Å
234H97.9Very high97.7Very high113 Ų11364 Ų6452%0.52332%0.323SS..PPolyproline II helixtrans-74.5147.6176.3-65.9171.1000110.5Y254H234-Y254 CarbonylContact O-C 3.55Å; H234-Y254 PolarHBondContact O-N 2.81Å
235N97.3Very high97.6Very high79 Ų7972.1 Ų72.142%0.42236%0.361SS..EExtended strand (participates in β ladder)trans-90.5140.6176.2-66-3000110.9S251 I252 P253N235-S251 PolarHBondContact ND2-OG 2.85Å; N235-I252 CarbonylContact C-O 3.59Å; N235-I252 VanDerWaalsContact CA-O 3.23Å; N235-I252 WeakPolarHBondContact CA-O 3.38Å; N235-P253 WeakPolarHBondContact OD1-CA 3.46Å
236I97.4Very high97.5Very high25 Ų2580.2 Ų80.213%0.12839%0.393CS..EExtended strand (participates in β ladder)trans-91141.2155.9-174.763.6000108.7S251 I252 Y254I236-S251 WeakPolarHBondContact O-CA 3.37Å; I236-I252 HydrophobicContact CG2-CB 3.98Å; I236-I252 PolarHBondContact N-O 3.45Å; I236-I252 PolarHBondContact O-N 2.93Å; I236-Y254 HydrophobicContact CG2-CD2 4.34Å; I236-Y254 HydrophobicContact CG2-CG 4.06Å
237E97.3Very high97.5Very high127 Ų12783.5 Ų83.559%0.59341%0.414SS*.EExtended strand (participates in β ladder)trans-126.2140.1177.5-65.2-178.4162.100110.8T249 I250E237-T249 HydrophobicContact CB-CG2 3.88Å; E237-T249 HydrophobicContact CG-CG2 4.13Å; E237-I250 WeakPolarHBondContact CA-O 3.26Å
238Y97.3Very high97.4Very high37 Ų3785 Ų8515%0.14543%0.428CS..EExtended strand (participates in β ladder)trans-144160.9171.158.8-93.1000111.1I250 I252 A688Y238-I250 HydrophobicContact CD1-CB 4.48Å; Y238-I250 HydrophobicContact CD2-CB 4.06Å; Y238-I250 HydrophobicContact CD2-CG1 4.27Å; Y238-I250 HydrophobicContact CE1-CB 4.11Å; Y238-I250 HydrophobicContact CE1-CG2 3.93Å; Y238-I250 HydrophobicContact CE2-CB 3.64Å; Y238-I250 HydrophobicContact CE2-CG1 3.72Å; Y238-I250 HydrophobicContact CE2-CG2 4.03Å; Y238-I250 HydrophobicContact CG-CB 4.46Å; Y238-I250 PolarHBondContact N-O 2.88Å; Y238-I250 PolarHBondContact O-N 3.25Å; Y238-I250 WeakPolarHBondContact OH-CG2 3.35Å; Y238-I252 HydrophobicContact CE1-CD1 3.76Å; Y238-I252 HydrophobicContact CE1-CG1 4.49Å; Y238-A688 HydrophobicContact CD2-CB 4.01Å; Y238-A688 HydrophobicContact CE2-CB 3.61Å
239S97.6Very high97.3Very high56 Ų5689.4 Ų89.439%0.39246%0.455SS..EExtended strand (participates in β ladder)trans-81.8134.2178.6-600000110.6
240W97.4Very high97.2Very high108 Ų10889.2 Ų89.241%0.40945%0.453SS..EExtended strand (participates in β ladder)trans-107110.9165-179.7-93.6000108.4P247 S248 I250 A688 D718W240-P247 CarbonylContact O-C 3.43Å; W240-P247 VanDerWaalsContact O-CA 3.28Å; W240-P247 WeakPolarHBondContact O-CA 3.38Å; W240-P247 WeakPolarHBondContact O-CB 3.14Å; W240-S248 PolarHBondContact N-O 2.86Å; W240-S248 PolarHBondContact O-N 3.39Å; W240-I250 HydrophobicContact CB-CD1 4.05Å; W240-I250 HydrophobicContact CB-CG1 3.73Å; W240-I250 HydrophobicContact CG-CD1 4.48Å; W240-I250 HydrophobicContact CG-CG1 4.49Å; W240-A688 HydrophobicContact CE3-CB 4.08Å; W240-A688 HydrophobicContact CZ3-CB 4.08Å; W240-D718 HydrophobicContact CD2-CB 4.32Å; W240-D718 HydrophobicContact CE3-CB 3.94Å; W240-D718 HydrophobicContact CH2-CB 3.88Å; W240-D718 HydrophobicContact CZ2-CB 4.25Å; W240-D718 HydrophobicContact CZ3-CB 3.71Å; W240-D718 WeakPolarHBondContact CZ3-O 3.27Å
241Y97.4Very high97.1Very high111 Ų11190.5 Ų90.544%0.43546%0.462SS..  trans-73.6-40.1-173.3-63.6-86.3000111.6P247 T717 D718Y241-P247 HydrophobicContact CD1-CB 4.43Å; Y241-P247 HydrophobicContact CD1-CG 3.89Å; Y241-T717 HydrophobicContact CD2-CG2 3.59Å; Y241-T717 HydrophobicContact CE2-CG2 4.37Å; Y241-T717 HydrophobicContact CG-CG2 3.96Å; Y241-D718 WeakPolarHBondContact CD2-OD1 3.39Å; Y241-D718 PolarHBondContact N-OD1 2.63Å; Y241-D718 PolarHBondContact N-OD2 3.27Å
242G94.9Very high97.1Very high36 Ų3686.9 Ų86.937%0.37144%0.44SS..  trans58.8-159.3172.500000114.1D718G242-D718 PolarHBondContact N-OD2 3.43Å
243E95.8Very high97.1Very high202 Ų20281 Ų8194%0.94441%0.41SS*.SBendtrans-102.6-9.8177.1-61-172.517100112.9
244D95.3Very high97.1Very high137 Ų13780.8 Ų80.873%0.73341%0.408SS*.SBendtrans-76.4158.1-180-71.1-46.1000111.9Y246D244-Y246 PolarHBondContact O-N 3.29Å
245Q96.4Very high97.1Very high170 Ų17075.4 Ų75.479%0.79438%0.383SS*.SBendtrans-62.5-30179.7-175.2-177.1-112.800113
246Y97.3Very high97.2Very high184 Ų18473.3 Ų73.372%0.72237%0.37SS*.SBendtrans-117.6126.1179.4-72.4-82.2000109.6D244D244-Y246 PolarHBondContact O-N 3.29Å
247P97.4Very high97.2Very high69 Ų6972.8 Ų72.845%0.44837%0.368SS..  trans-56.7154.6172.3-26.436000112.1W240 Y241W240-P247 CarbonylContact O-C 3.43Å; W240-P247 VanDerWaalsContact O-CA 3.28Å; W240-P247 WeakPolarHBondContact O-CA 3.38Å; W240-P247 WeakPolarHBondContact O-CB 3.14Å; Y241-P247 HydrophobicContact CD1-CB 4.43Å; Y241-P247 HydrophobicContact CD1-CG 3.89Å
248S97.3Very high97.2Very high59 Ų5968.7 Ų68.741%0.41336%0.36SS..EExtended strand (participates in β ladder)trans-105.7160.8170.8630000110.7W240W240-S248 PolarHBondContact N-O 2.86Å; W240-S248 PolarHBondContact O-N 3.39Å
249T97.3Very high97.3Very high92 Ų9268.3 Ų68.356%0.56436%0.362SS*.EExtended strand (participates in β ladder)trans-98.5124.5173.4-570000109E237E237-T249 HydrophobicContact CB-CG2 3.88Å; E237-T249 HydrophobicContact CG-CG2 4.13Å
250I96.9Very high97.3Very high49 Ų4968.1 Ų68.125%0.25136%0.359SS..EExtended strand (participates in β ladder)trans-88.8134.4166.1-54.2-59.6000107.6E237 Y238 W240 I252E237-I250 WeakPolarHBondContact CA-O 3.26Å; Y238-I250 HydrophobicContact CD1-CB 4.48Å; Y238-I250 HydrophobicContact CD2-CB 4.06Å; Y238-I250 HydrophobicContact CD2-CG1 4.27Å; Y238-I250 HydrophobicContact CE1-CB 4.11Å; Y238-I250 HydrophobicContact CE1-CG2 3.93Å; Y238-I250 HydrophobicContact CE2-CB 3.64Å; Y238-I250 HydrophobicContact CE2-CG1 3.72Å; Y238-I250 HydrophobicContact CE2-CG2 4.03Å; Y238-I250 HydrophobicContact CG-CB 4.46Å; Y238-I250 PolarHBondContact N-O 2.88Å; Y238-I250 PolarHBondContact O-N 3.25Å; Y238-I250 WeakPolarHBondContact OH-CG2 3.35Å; W240-I250 HydrophobicContact CB-CD1 4.05Å; W240-I250 HydrophobicContact CB-CG1 3.73Å; W240-I250 HydrophobicContact CG-CD1 4.48Å; W240-I250 HydrophobicContact CG-CG1 4.49Å; I250-I252 HydrophobicContact CG2-CD1 4.4Å; I250-I252 HydrophobicContact CG2-CG1 4.1Å
251S96.8Very high97.3Very high30 Ų3063.5 Ų63.521%0.2134%0.343CS..EExtended strand (participates in β ladder)trans-129126.7179173.10000109N192 N235 I236N192-S251 PolarHBondContact ND2-O 3.45Å; N235-S251 PolarHBondContact ND2-OG 2.85Å; I236-S251 WeakPolarHBondContact O-CA 3.37Å
252I97.2Very high97.4Very high4 Ų458.4 Ų58.42%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-129.8129.7-178.3-50.1171.4000108.2W124 W201 N235 I236 Y238 I250 Y254 D690W124-I252 HydrophobicContact CE3-CD1 4.49Å; W124-I252 HydrophobicContact CH2-CD1 3.2Å; W124-I252 HydrophobicContact CH2-CG1 3.63Å; W124-I252 HydrophobicContact CZ2-CD1 3.85Å; W124-I252 HydrophobicContact CZ2-CG1 3.98Å; W124-I252 HydrophobicContact CZ2-CG2 4.17Å; W124-I252 HydrophobicContact CZ3-CD1 3.58Å; W124-I252 HydrophobicContact CZ3-CG1 4.47Å; W201-I252 HydrophobicContact CB-CG2 3.91Å; W201-I252 HydrophobicContact CG-CG2 4.13Å; N235-I252 CarbonylContact C-O 3.59Å; N235-I252 VanDerWaalsContact CA-O 3.23Å; N235-I252 WeakPolarHBondContact CA-O 3.38Å; I236-I252 HydrophobicContact CG2-CB 3.98Å; I236-I252 PolarHBondContact N-O 3.45Å; I236-I252 PolarHBondContact O-N 2.93Å; Y238-I252 HydrophobicContact CE1-CD1 3.76Å; Y238-I252 HydrophobicContact CE1-CG1 4.49Å; I250-I252 HydrophobicContact CG2-CD1 4.4Å; I250-I252 HydrophobicContact CG2-CG1 4.1Å; I252-Y254 PolarHBondContact O-N 2.67Å; I252-Y254 VanDerWaalsContact O-N 3.15Å; I252-D690 HydrophobicContact CD1-CB 3.87Å
253P98.3Very high97.5Very high5 Ų560.8 Ų60.83%0.03233%0.33CS..EExtended strand (participates in β ladder)trans-60.8115.4165.3-19.632.6000109.8N192 D230 V233 N235N192-P253 HydrophobicContact CB-CG 3.77Å; N192-P253 VanDerWaalsContact O-CG 3.28Å; N192-P253 WeakPolarHBondContact O-CG 3.4Å; D230-P253 HydrophobicContact CB-CB 3.73Å; D230-P253 HydrophobicContact CB-CG 3.98Å; V233-P253 HydrophobicContact CB-CB 4.21Å; V233-P253 HydrophobicContact CG1-CB 3.9Å; N235-P253 WeakPolarHBondContact OD1-CA 3.46Å
254Y98.6Very high97.6Very high3 Ų351.6 Ų51.61%0.01229%0.288CS..  trans-141102.7-174.2-172.5-75000109.1W201 H234 I236 I252 K256 D646 N691 H693W201-Y254 AromaticContact CD2-CD2 3.81Å; W201-Y254 HydrophobicContact CD2-CD2 3.81Å; W201-Y254 HydrophobicContact CD2-CE2 4Å; W201-Y254 AromaticContact CE3-CD2 3.46Å; W201-Y254 HydrophobicContact CE3-CD2 3.46Å; W201-Y254 VanDerWaalsContact CE3-CD2 3.46Å; W201-Y254 AromaticContact CE3-CE2 3.53Å; W201-Y254 HydrophobicContact CE3-CE2 3.53Å; W201-Y254 HydrophobicContact CE3-CG 4.45Å; W201-Y254 HydrophobicContact CH2-CD2 4.11Å; W201-Y254 AromaticContact CH2-CE2 3.29Å; W201-Y254 HydrophobicContact CH2-CE2 3.29Å; W201-Y254 HydrophobicContact CZ2-CD2 4.37Å; W201-Y254 AromaticContact CZ2-CE2 3.74Å; W201-Y254 HydrophobicContact CZ2-CE2 3.74Å; W201-Y254 AromaticContact CZ3-CD2 3.63Å; W201-Y254 HydrophobicContact CZ3-CD2 3.63Å; W201-Y254 AromaticContact CZ3-CE2 3.16Å; W201-Y254 HydrophobicContact CZ3-CE2 3.16Å; W201-Y254 AromaticContact CZ3-CZ 3.86Å; H234-Y254 CarbonylContact O-C 3.55Å; H234-Y254 PolarHBondContact O-N 2.81Å; I236-Y254 HydrophobicContact CG2-CD2 4.34Å; I236-Y254 HydrophobicContact CG2-CG 4.06Å; I252-Y254 PolarHBondContact O-N 2.67Å; I252-Y254 VanDerWaalsContact O-N 3.15Å; Y254-K256 HydrophobicContact CD1-CG 3.88Å; Y254-K256 HydrophobicContact CE1-CG 3.95Å; Y254-K256 PolarHBondContact O-N 3.46Å; Y254-D646 HydrophobicContact CE1-CB 3.76Å; Y254-D646 HydrophobicContact CE2-CB 4.28Å; Y254-D646 PolarHBondContact OH-N 2.91Å; Y254-N691 PolarHBondContact OH-O 3.16Å; Y254-N691 VanDerWaalsContact OH-O 3.06Å; Y254-H693 AromaticContact CD1-NE2 3.5Å; Y254-H693 AromaticContact CD2-CE1 3.52Å; Y254-H693 AromaticContact CD2-NE2 3.36Å; Y254-H693 WeakPolarHBondContact CD2-NE2 3.49Å; Y254-H693 AromaticContact CE1-NE2 3.41Å; Y254-H693 WeakPolarHBondContact CE1-NE2 3.44Å; Y254-H693 AromaticContact CE2-CE1 3.39Å; Y254-H693 WeakPolarHBondContact CE2-CE1 3.47Å; Y254-H693 AromaticContact CE2-NE2 3.22Å; Y254-H693 WeakPolarHBondContact CE2-NE2 3.3Å; Y254-H693 AromaticContact CG-NE2 3.48Å; Y254-H693 AromaticContact CZ-CE1 3.86Å; Y254-H693 AromaticContact CZ-NE2 3.25Å
255P98.4Very high97.8Very high0 Ų049 Ų490%027%0.27CS..  trans-75.3122.2179.332.1-34.7000109.9V202 V233 P260 N261 D646 T647V202-P255 HydrophobicContact CB-CG 4.04Å; V202-P255 HydrophobicContact CG1-CG 3.97Å; V202-P255 HydrophobicContact CG2-CG 4.06Å; V233-P255 HydrophobicContact CG1-CB 4.05Å; V233-P255 HydrophobicContact CG1-CG 4.34Å; P255-P260 WeakPolarHBondContact CB-O 2.75Å; P255-N261 WeakPolarHBondContact CB-OD1 3.47Å; P255-N261 WeakPolarHBondContact CG-OD1 3.18Å; P255-D646 CarbonylContact O-C 3.47Å; P255-D646 VanDerWaalsContact O-CA 3.3Å; P255-D646 WeakPolarHBondContact O-CA 3.48Å; P255-T647 HydrophobicContact CB-CG2 3.75Å; P255-T647 HydrophobicContact CG-CG2 4.42Å; P255-T647 WeakPolarHBondContact CG-OG1 3.28Å; P255-T647 PolarHBondContact O-N 2.93Å
256K98.6Very high97.9Very high36 Ų3641 Ų4116%0.15723%0.232CC..  trans-94.2156.8169.6-65.2-176.8-176.4-123.30111.2Y254 G258 T259 Y644 Y645 T647Y254-K256 HydrophobicContact CD1-CG 3.88Å; Y254-K256 HydrophobicContact CE1-CG 3.95Å; Y254-K256 PolarHBondContact O-N 3.46Å; K256-G258 PolarHBondContact O-N 2.96Å; K256-T259 PolarHBondContact N-OG1 3.39Å; K256-T259 VanDerWaalsContact N-OG1 3.1Å; K256-T259 WeakPolarHBondContact O-CB 3.07Å; K256-T259 WeakPolarHBondContact O-CG2 3.46Å; K256-T259 PolarHBondContact O-N 3.14Å; K256-T259 PolarHBondContact O-OG1 3.26Å; K256-Y644 PolarHBondContact NZ-O 3.31Å; K256-Y645 WeakPolarHBondContact CA-O 3.33Å; K256-T647 WeakPolarHBondContact O-CG2 3.36Å
257P98.3Very high98Very high13 Ų1333.7 Ų33.78%0.08421%0.205CC..THydrogen-bonded Turntrans-45.6130.7-175.7-34.936.6000115T259 Y645 T650 E651 P657 Y664P257-T259 VanDerWaalsContact C-N 3.28Å; P257-T259 PolarHBondContact O-N 3.24Å; P257-Y645 WeakPolarHBondContact CD-O 3.28Å; P257-T650 HydrophobicContact CG-CG2 3.7Å; P257-E651 WeakPolarHBondContact CA-OE1 3.44Å; P257-E651 HydrophobicContact CB-CG 4.35Å; P257-P657 HydrophobicContact CB-CG 3.64Å; P257-Y664 HydrophobicContact CB-CE1 4.05Å; P257-Y664 WeakPolarHBondContact CB-OH 3.33Å; P257-Y664 HydrophobicContact CG-CE1 4.23Å
258G97.6Very high98Very high42 Ų4230.5 Ų30.543%0.43318%0.184SC..THydrogen-bonded Turntrans77.72.9-178.700000115.7K256 E651K256-G258 PolarHBondContact O-N 2.96Å; G258-E651 PolarHBondContact N-OE1 3.12Å
259T98.3Very high98.1Very high29 Ų2927.7 Ų27.718%0.17816%0.164CC..SBendtrans-95.8168172.269.60000111.6K256 P257 R311K256-T259 PolarHBondContact N-OG1 3.39Å; K256-T259 VanDerWaalsContact N-OG1 3.1Å; K256-T259 WeakPolarHBondContact O-CB 3.07Å; K256-T259 WeakPolarHBondContact O-CG2 3.46Å; K256-T259 PolarHBondContact O-N 3.14Å; K256-T259 PolarHBondContact O-OG1 3.26Å; P257-T259 VanDerWaalsContact C-N 3.28Å; P257-T259 PolarHBondContact O-N 3.24Å; T259-R311 PolarHBondContact O-NH1 3.03Å; T259-R311 PolarHBondContact O-NH2 3.36Å
260P98.1Very high98.1Very high51 Ų5124.3 Ų24.333%0.33114%0.143SC..PPolyproline II helixtrans-61.6139.4176.2-23.235000112.5L232 P255L232-P260 HydrophobicContact CB-CB 4.36Å; P255-P260 WeakPolarHBondContact CB-O 2.75Å
261N98.4Very high98.1Very high12 Ų1222 Ų226%0.06413%0.131CC..PPolyproline II helixtrans-95.1164.1174-84.6-47.4000112.3P255 V263 Y292 T647P255-N261 WeakPolarHBondContact CB-OD1 3.47Å; P255-N261 WeakPolarHBondContact CG-OD1 3.18Å; N261-V263 PolarHBondContact O-N 3.12Å; N261-Y292 HydrophobicContact CB-CE1 4.26Å; N261-Y292 PolarHBondContact ND2-OH 3.11Å; N261-T647 WeakPolarHBondContact OD1-CB 3.43Å; N261-T647 PolarHBondContact OD1-OG1 3.05Å
262P98.1Very high98Very high4 Ų426 Ų263%0.02615%0.15CC..PPolyproline II helixtrans-54.5133.9168.3-21.328.6000111.2D200 V202 Y203 N229 D230 V233D200-P262 WeakPolarHBondContact OD2-CG 3.4Å; V202-P262 HydrophobicContact CG1-CG 3.74Å; Y203-P262 HydrophobicContact CD2-CG 4.46Å; Y203-P262 HydrophobicContact CE2-CB 4.2Å; Y203-P262 HydrophobicContact CE2-CG 4.44Å; N229-P262 WeakPolarHBondContact O-CA 3.47Å; D230-P262 WeakPolarHBondContact OD1-CB 3.33Å; D230-P262 WeakPolarHBondContact OD1-CG 3.36Å; V233-P262 HydrophobicContact CG2-CG 4.08Å
263V98.1Very high97.9Very high85 Ų8529.1 Ų29.152%0.51517%0.167SC..EExtended strand (participates in β ladder)trans-88.8121.6170.8179.20000108.4N229 N261N229-V263 HydrophobicContact CB-CB 4.37Å; N229-V263 PolarHBondContact N-O 3.23Å; N229-V263 PolarHBondContact O-N 3.17Å; N261-V263 PolarHBondContact O-N 3.12Å
264V98.2Very high97.7Very high9 Ų930.4 Ų30.46%0.05518%0.175CC..EExtended strand (participates in β ladder)trans-104141.8-178.766.70000111.9Y203 A226 E227 F228 L293Y203-V264 WeakPolarHBondContact OH-CG1 3.31Å; A226-V264 HydrophobicContact CB-CG2 4.26Å; E227-V264 CarbonylContact O-C 3.59Å; E227-V264 WeakPolarHBondContact O-CA 3.38Å; F228-V264 HydrophobicContact CD1-CB 4.15Å; F228-V264 HydrophobicContact CD1-CG2 3.85Å; F228-V264 HydrophobicContact CE1-CB 4.18Å; F228-V264 HydrophobicContact CE1-CG2 3.53Å; F228-V264 HydrophobicContact CZ-CG2 4.15Å; V264-L293 HydrophobicContact CB-CB 4.46Å; V264-L293 HydrophobicContact CG1-CB 3.79Å; V264-L293 HydrophobicContact CG2-CB 3.88Å; V264-L293 HydrophobicContact CG2-CD2 3.93Å
265K98.5Very high97.5Very high83 Ų8335.9 Ų35.936%0.36121%0.208SC..EExtended strand (participates in β ladder)trans-130.2151.3166.4-67.2-178.7-178.3175.80110.4A226 E227 F267A226-K265 CarbonylContact C-O 3.56Å; A226-K265 VanDerWaalsContact CA-O 3.27Å; A226-K265 WeakPolarHBondContact CA-O 3.3Å; E227-K265 PolarHBondContact N-O 2.69Å; E227-K265 PolarHBondContact O-N 3.16Å; K265-F267 HydrophobicContact CB-CD2 4.36Å; K265-F267 HydrophobicContact CB-CE2 3.66Å; K265-F267 HydrophobicContact CB-CZ 4.05Å; K265-F267 HydrophobicContact CD-CE2 4.21Å; K265-F267 HydrophobicContact CD-CZ 3.91Å
266L98.8Very high97.4Very high1 Ų138.4 Ų38.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-115.3122.6177.2-178.163.2000109.6W215 A224 E279 V280 L293 V296 V306 W308W215-L266 HydrophobicContact CE3-CD1 4.49Å; W215-L266 HydrophobicContact CZ3-CD1 4.08Å; A224-L266 HydrophobicContact CB-CD1 4.25Å; L266-E279 CarbonylContact O-C 3.57Å; L266-E279 WeakPolarHBondContact O-CA 3.36Å; L266-V280 HydrophobicContact CB-CB 4.34Å; L266-V280 HydrophobicContact CD2-CB 3.96Å; L266-V280 HydrophobicContact CD2-CG1 4.18Å; L266-V280 HydrophobicContact CD2-CG2 4.37Å; L266-V280 HydrophobicContact CG-CB 4.13Å; L266-V280 HydrophobicContact CG-CG2 4.44Å; L266-V280 PolarHBondContact O-N 3.25Å; L266-L293 HydrophobicContact CB-CD2 4.49Å; L266-L293 HydrophobicContact CD1-CD2 4.37Å; L266-V296 HydrophobicContact CD1-CG2 4.07Å; L266-V296 HydrophobicContact CD2-CG1 4.35Å; L266-V296 HydrophobicContact CD2-CG2 3.92Å; L266-V306 HydrophobicContact CD2-CG1 4.04Å; L266-V306 HydrophobicContact CD2-CG2 3.69Å; L266-W308 HydrophobicContact CB-CH2 4.36Å
267F98.8Very high97.3Very high31 Ų3139.4 Ų39.414%0.13623%0.231CC..EExtended strand (participates in β ladder)trans-115.7156177.3-64.2-80.1000110.9A224 Y225 E227 K265 V277 T278 E279A224-F267 CarbonylContact C-O 3.53Å; A224-F267 WeakPolarHBondContact CA-O 3.11Å; Y225-F267 HydrophobicContact CD1-CB 4.11Å; Y225-F267 HydrophobicContact CD2-CB 4.46Å; Y225-F267 HydrophobicContact CE1-CB 3.54Å; Y225-F267 HydrophobicContact CE2-CB 3.94Å; Y225-F267 AromaticContact CE2-CD2 3.81Å; Y225-F267 HydrophobicContact CE2-CD2 3.81Å; Y225-F267 HydrophobicContact CE2-CG 4.22Å; Y225-F267 VanDerWaalsContact CZ-CB 3.44Å; Y225-F267 AromaticContact CZ-CD2 3.99Å; Y225-F267 AromaticContact CZ-CG 3.93Å; Y225-F267 PolarHBondContact N-O 2.91Å; Y225-F267 PolarHBondContact O-N 3.42Å; E227-F267 HydrophobicContact CB-CD2 4.22Å; E227-F267 HydrophobicContact CB-CE2 3.89Å; K265-F267 HydrophobicContact CB-CD2 4.36Å; K265-F267 HydrophobicContact CB-CE2 3.66Å; K265-F267 HydrophobicContact CB-CZ 4.05Å; K265-F267 HydrophobicContact CD-CE2 4.21Å; K265-F267 HydrophobicContact CD-CZ 3.91Å; F267-V277 HydrophobicContact CB-CG1 4.05Å; F267-V277 HydrophobicContact CD1-CG1 4.19Å; F267-V277 HydrophobicContact CG-CG1 4.42Å; F267-T278 CarbonylContact C-O 3.56Å; F267-T278 WeakPolarHBondContact CA-O 3.44Å; F267-E279 HydrophobicContact CD1-CB 3.95Å; F267-E279 HydrophobicContact CD1-CG 4.38Å; F267-E279 HydrophobicContact CE1-CB 3.85Å; F267-E279 HydrophobicContact CE1-CG 4.11Å
268V98.8Very high97.2Very high3 Ų340 Ų402%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-130.8128.1172.8-179.50000109.2Y222 L223 A224 V277 T278 V280 W298 W328Y222-V268 HydrophobicContact CD1-CG1 4.09Å; Y222-V268 HydrophobicContact CG-CG1 4.15Å; L223-V268 WeakPolarHBondContact O-CA 3.35Å; A224-V268 HydrophobicContact CB-CG2 4Å; V268-V277 WeakPolarHBondContact O-CA 3.42Å; V268-T278 PolarHBondContact N-O 3.47Å; V268-T278 PolarHBondContact O-N 3.14Å; V268-V280 HydrophobicContact CG2-CG2 3.65Å; V268-W298 HydrophobicContact CG1-CH2 4.03Å; V268-W298 HydrophobicContact CG1-CZ2 4.29Å; V268-W298 HydrophobicContact CG2-CH2 4.48Å; V268-W328 HydrophobicContact CB-CZ2 4.36Å; V268-W328 HydrophobicContact CG1-CZ2 3.8Å; V268-W328 HydrophobicContact CG2-CZ2 4.32Å
269V98.4Very high97.2Very high0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-108.5140175.762.80000111.4I185 Y222 L223 T274 I276 V277I185-V269 HydrophobicContact CD1-CG2 4.22Å; I185-V269 HydrophobicContact CG2-CB 4.1Å; I185-V269 HydrophobicContact CG2-CG1 3.91Å; I185-V269 HydrophobicContact CG2-CG2 4.2Å; Y222-V269 VanDerWaalsContact CA-O 3.32Å; Y222-V269 WeakPolarHBondContact CA-O 3.27Å; L223-V269 HydrophobicContact CB-CG1 3.82Å; L223-V269 PolarHBondContact N-O 3.17Å; L223-V269 PolarHBondContact O-N 3.34Å; V269-T274 HydrophobicContact CG2-CG2 4.48Å; V269-I276 WeakPolarHBondContact CA-O 3.47Å; V269-V277 HydrophobicContact CB-CG2 4.09Å; V269-V277 HydrophobicContact CG2-CG2 3.85Å
270D97.7Very high97.2Very high20 Ų2040 Ų4011%0.10722%0.221CC..EExtended strand (participates in β ladder)trans-75.2121.8166.7-171.5-45.3000109.6Y222 D272 N273 T274 I276Y222-D270 HydrophobicContact CD1-CB 4.07Å; Y222-D270 HydrophobicContact CE1-CB 3.81Å; D270-D272 VanDerWaalsContact C-N 3.3Å; D270-D272 PolarHBondContact O-N 3.35Å; D270-D272 WeakPolarHBondContact OD1-CA 3.43Å; D270-D272 WeakPolarHBondContact OD1-CB 3.44Å; D270-D272 PolarHBondContact OD1-N 3.25Å; D270-N273 CarbonylContact O-C 3.48Å; D270-N273 PolarHBondContact O-N 3.34Å; D270-N273 PolarHBondContact OD1-N 2.85Å; D270-N273 VanDerWaalsContact OD1-N 3.13Å; D270-T274 WeakPolarHBondContact O-CA 3.42Å; D270-T274 PolarHBondContact O-N 2.85Å; D270-I276 HydrophobicContact CB-CB 4.21Å; D270-I276 PolarHBondContact N-O 3.37Å; D270-I276 VanDerWaalsContact N-O 3.1Å
271T96.9Very high97.1Very high1 Ų140.6 Ų40.61%0.00622%0.223CC..SBendtrans-81.9-7.7-174.6680000114K163 L174 W216 G220 K221 L223K163-T271 PolarHBondContact NZ-OG1 3.29Å; L174-T271 HydrophobicContact CD1-CG2 4.24Å; L174-T271 HydrophobicContact CD2-CG2 4.25Å; W216-T271 HydrophobicContact CE3-CG2 4.38Å; W216-T271 HydrophobicContact CH2-CG2 4.15Å; W216-T271 HydrophobicContact CZ3-CG2 3.54Å; G220-T271 PolarHBondContact O-OG1 3.04Å; G220-T271 VanDerWaalsContact O-OG1 3.07Å; K221-T271 WeakPolarHBondContact O-CB 3.19Å; K221-T271 WeakPolarHBondContact O-CG2 3.45Å; K221-T271 PolarHBondContact O-N 3.14Å; K221-T271 PolarHBondContact O-OG1 3.02Å; L223-T271 HydrophobicContact CB-CG2 4.12Å
272D93.9Very high97.1Very high113 Ų11340.7 Ų40.760%0.60422%0.224SC*.SBendtrans-95.4-24.3170.6-61.5-34.3000111.2K163 D270K163-D272 IonicContact NZ-OD1 3.29Å; K163-D272 PolarHBondContact NZ-OD1 2.64Å; D270-D272 VanDerWaalsContact C-N 3.3Å; D270-D272 PolarHBondContact O-N 3.35Å; D270-D272 WeakPolarHBondContact OD1-CA 3.43Å; D270-D272 WeakPolarHBondContact OD1-CB 3.44Å; D270-D272 PolarHBondContact OD1-N 3.25Å
273N94.9Very high97Very high70 Ų7041.2 Ų41.237%0.37423%0.227SC..  trans-138.390171.3-176.62.9000111.6D270 T275 I276D270-N273 CarbonylContact O-C 3.48Å; D270-N273 PolarHBondContact O-N 3.34Å; D270-N273 PolarHBondContact OD1-N 2.85Å; D270-N273 VanDerWaalsContact OD1-N 3.13Å; N273-T275 PolarHBondContact ND2-OG1 2.66Å; N273-T275 PolarHBondContact O-N 3.3Å; N273-T275 PolarHBondContact OD1-N 3.15Å; N273-T275 PolarHBondContact OD1-OG1 2.99Å; N273-I276 HydrophobicContact CB-CD1 4.26Å; N273-I276 HydrophobicContact CB-CG1 4.5Å; N273-I276 PolarHBondContact O-N 2.84Å
274T94.5Very high96.8Very high33 Ų3343.1 Ų43.120%0.20224%0.235CC..THydrogen-bonded Turntrans-64.7-7.9-174.950.30000114.8L174 E183 I185 V269 D270 I276L174-T274 HydrophobicContact CD2-CG2 3.49Å; L174-T274 VanDerWaalsContact CD2-CG2 3.49Å; E183-T274 WeakPolarHBondContact OE2-CG2 3.33Å; E183-T274 PolarHBondContact OE2-OG1 3.03Å; E183-T274 VanDerWaalsContact OE2-OG1 3.09Å; I185-T274 HydrophobicContact CD1-CG2 3.47Å; I185-T274 VanDerWaalsContact CD1-CG2 3.47Å; V269-T274 HydrophobicContact CG2-CG2 4.48Å; D270-T274 WeakPolarHBondContact O-CA 3.42Å; D270-T274 PolarHBondContact O-N 2.85Å; T274-I276 VanDerWaalsContact C-N 3.29Å
275T94.2Very high96.7Very high117 Ų11746.2 Ų46.272%0.71826%0.257SS*.THydrogen-bonded Turntrans-76.6-15.7172.368.60000113.4N273 V277N273-T275 PolarHBondContact ND2-OG1 2.66Å; N273-T275 PolarHBondContact O-N 3.3Å; N273-T275 PolarHBondContact OD1-N 3.15Å; N273-T275 PolarHBondContact OD1-OG1 2.99Å; T275-V277 PolarHBondContact O-N 3.44Å
276I95.7Very high96.6Very high54 Ų5442.9 Ų42.928%0.27724%0.242SC..  trans-94.697.4178.2-56176.1000108.3V269 D270 N273 T274 T326V269-I276 WeakPolarHBondContact CA-O 3.47Å; D270-I276 HydrophobicContact CB-CB 4.21Å; D270-I276 PolarHBondContact N-O 3.37Å; D270-I276 VanDerWaalsContact N-O 3.1Å; N273-I276 HydrophobicContact CB-CD1 4.26Å; N273-I276 HydrophobicContact CB-CG1 4.5Å; N273-I276 PolarHBondContact O-N 2.84Å; T274-I276 VanDerWaalsContact C-N 3.29Å; I276-T326 HydrophobicContact CG2-CG2 3.95Å
277V96.8Very high96.4Very high57 Ų5748.3 Ų48.335%0.34527%0.266SS..EExtended strand (participates in β ladder)trans-119.8128.3174.3-174.40000108.8Y225 F267 V268 V269 T275Y225-V277 HydrophobicContact CE1-CG1 4.36Å; F267-V277 HydrophobicContact CB-CG1 4.05Å; F267-V277 HydrophobicContact CD1-CG1 4.19Å; F267-V277 HydrophobicContact CG-CG1 4.42Å; V268-V277 WeakPolarHBondContact O-CA 3.42Å; V269-V277 HydrophobicContact CB-CG2 4.09Å; V269-V277 HydrophobicContact CG2-CG2 3.85Å; T275-V277 PolarHBondContact O-N 3.44Å
278T97.5Very high96.1Very high26 Ų2652.2 Ų52.216%0.1630%0.297CS..EExtended strand (participates in β ladder)trans-130.1135.8-176.3-57.20000110.4F267 V268 T326F267-T278 CarbonylContact C-O 3.56Å; F267-T278 WeakPolarHBondContact CA-O 3.44Å; V268-T278 PolarHBondContact N-O 3.47Å; V268-T278 PolarHBondContact O-N 3.14Å; T278-T326 WeakPolarHBondContact CB-O 3.45Å; T278-T326 VanDerWaalsContact CG2-O 3.28Å; T278-T326 WeakPolarHBondContact CG2-O 3.29Å; T278-T326 PolarHBondContact OG1-O 3.36Å
279E97.7Very high96Very high70 Ų7055.2 Ų55.233%0.32731%0.312SS..EExtended strand (participates in β ladder)trans-75.6133.4172.6-169.7179.2161.700111.5L266 F267 V281L266-E279 CarbonylContact O-C 3.57Å; L266-E279 WeakPolarHBondContact O-CA 3.36Å; F267-E279 HydrophobicContact CD1-CB 3.95Å; F267-E279 HydrophobicContact CD1-CG 4.38Å; F267-E279 HydrophobicContact CE1-CB 3.85Å; F267-E279 HydrophobicContact CE1-CG 4.11Å; E279-V281 PolarHBondContact O-N 3.27Å
280V98Very high95.9Very high0 Ų059.6 Ų59.60%033%0.333CS..  trans-88.192.4164.9-179.80000107.3L266 V268 V306 Y321 W328L266-V280 HydrophobicContact CB-CB 4.34Å; L266-V280 HydrophobicContact CD2-CB 3.96Å; L266-V280 HydrophobicContact CD2-CG1 4.18Å; L266-V280 HydrophobicContact CD2-CG2 4.37Å; L266-V280 HydrophobicContact CG-CB 4.13Å; L266-V280 HydrophobicContact CG-CG2 4.44Å; L266-V280 PolarHBondContact O-N 3.25Å; V268-V280 HydrophobicContact CG2-CG2 3.65Å; V280-V306 HydrophobicContact CG1-CG2 4.14Å; V280-Y321 HydrophobicContact CG1-CD1 4.12Å; V280-Y321 HydrophobicContact CG1-CD2 3.65Å; V280-Y321 HydrophobicContact CG1-CE1 4.13Å; V280-Y321 HydrophobicContact CG1-CE2 3.63Å; V280-Y321 HydrophobicContact CG1-CG 3.9Å; V280-W328 HydrophobicContact CG2-CB 4.04Å; V280-W328 HydrophobicContact CG2-CD2 4.27Å; V280-W328 HydrophobicContact CG2-CG 3.74Å
281V95.6Very high95.9Very high63 Ų6360.4 Ų60.438%0.38234%0.335SS..PPolyproline II helixtrans-69.6133.9-169.3-150.80000111E279 Y321E279-V281 PolarHBondContact O-N 3.27Å; V281-Y321 PolarHBondContact O-OH 2.97Å
282V97Very high95.9Very high15 Ų1560.4 Ų60.49%0.09134%0.336CS..PPolyproline II helixtrans-52.7147.6172.266.40000112.1Y286 K287 W308V282-Y286 VanDerWaalsContact CG2-CB 3.47Å; V282-Y286 HydrophobicContact CG2-CG 4.49Å; V282-K287 HydrophobicContact CG1-CG 3.73Å; V282-W308 HydrophobicContact CB-CD2 4.16Å; V282-W308 HydrophobicContact CB-CE3 4.1Å; V282-W308 HydrophobicContact CB-CH2 4.09Å; V282-W308 HydrophobicContact CB-CZ2 4.18Å; V282-W308 HydrophobicContact CB-CZ3 4.06Å; V282-W308 HydrophobicContact CG2-CB 4.46Å; V282-W308 HydrophobicContact CG2-CD2 3.68Å; V282-W308 HydrophobicContact CG2-CE3 3.7Å; V282-W308 HydrophobicContact CG2-CG 4.04Å; V282-W308 HydrophobicContact CG2-CZ3 4.16Å
283P96.4Very high96.2Very high14 Ų1455 Ų559%0.09131%0.307CS..PPolyproline II helixtrans-52.6146.4175.1-29.336.4000113.4S285 Y286 K287 W308 I317 Q319P283-S285 PolarHBondContact O-N 2.61Å; P283-S285 VanDerWaalsContact O-N 3.12Å; P283-Y286 WeakPolarHBondContact O-CA 3.4Å; P283-Y286 PolarHBondContact O-N 3.1Å; P283-K287 PolarHBondContact O-N 2.87Å; P283-W308 HydrophobicContact CG-CG 4.41Å; P283-I317 HydrophobicContact CB-CD1 4.16Å; P283-I317 HydrophobicContact CG-CB 4.47Å; P283-I317 HydrophobicContact CG-CD1 4.45Å; P283-I317 HydrophobicContact CG-CG2 4.02Å; P283-Q319 HydrophobicContact CG-CB 4.13Å; P283-Q319 HydrophobicContact CG-CG 4.31Å
284D95.1Very high96.3Very high125 Ų12551.9 Ų51.967%0.66829%0.291SS*.G310 helixtrans-55.1-36.6-173.9-74-30.3000113.8Y286 K287D284-Y286 PolarHBondContact O-N 3Å; D284-K287 PolarHBondContact O-N 3.35Å; D284-K287 WeakPolarHBondContact OD1-CE 3.26Å; D284-K287 IonicContact OD1-NZ 3.04Å; D284-K287 PolarHBondContact OD1-NZ 2.68Å
285S95.5Very high96.4Very high75 Ų7550.8 Ų50.852%0.52428%0.284SS..G310 helixtrans-66.4-17.4177.753.10000113.8P283 I317P283-S285 PolarHBondContact O-N 2.61Å; P283-S285 VanDerWaalsContact O-N 3.12Å; S285-I317 WeakPolarHBondContact OG-CD1 3.26Å
286Y96.4Very high96.6Very high12 Ų1245.6 Ų45.65%0.04725%0.252CS..G310 helixtrans-106.1-11.1-176.4-83.441.9000112.4V282 P283 D284 S288 I289 H291 W308 K310 Q315 I317V282-Y286 VanDerWaalsContact CG2-CB 3.47Å; V282-Y286 HydrophobicContact CG2-CG 4.49Å; P283-Y286 WeakPolarHBondContact O-CA 3.4Å; P283-Y286 PolarHBondContact O-N 3.1Å; D284-Y286 PolarHBondContact O-N 3Å; Y286-S288 VanDerWaalsContact C-N 3.26Å; Y286-S288 PolarHBondContact O-N 3.1Å; Y286-I289 HydrophobicContact CD1-CD1 3.93Å; Y286-I289 HydrophobicContact CE1-CD1 4.24Å; Y286-I289 HydrophobicContact CG-CD1 4.15Å; Y286-I289 HydrophobicContact CG-CG1 4.44Å; Y286-I289 PolarHBondContact O-N 3.24Å; Y286-H291 HydrophobicContact CD2-CB 3.67Å; Y286-H291 HydrophobicContact CE2-CB 4.33Å; Y286-H291 PolarHBondContact O-CE1 2.68Å; Y286-H291 PolarHBondContact O-ND1 3.22Å; Y286-W308 HydrophobicContact CD2-CB 3.82Å; Y286-W308 HydrophobicContact CE2-CB 4.06Å; Y286-W308 WeakPolarHBondContact CE2-O 3.42Å; Y286-K310 HydrophobicContact CE2-CB 4.32Å; Y286-Q315 PolarHBondContact OH-O 3.45Å; Y286-Q315 VanDerWaalsContact OH-O 3.11Å; Y286-I317 HydrophobicContact CD1-CD1 3.64Å; Y286-I317 HydrophobicContact CD1-CG1 4.39Å; Y286-I317 HydrophobicContact CE1-CD1 3.37Å; Y286-I317 HydrophobicContact CE1-CG1 3.75Å; Y286-I317 HydrophobicContact CE2-CG1 4.47Å; Y286-I317 HydrophobicContact CG-CD1 4.42Å
287K93.5Very high96.7Very high116 Ų11644.1 Ų44.150%0.50425%0.245SC..THydrogen-bonded Turntrans-58.7-31.7-178.7-75.5-178.3176.71690114.7V282 P283 D284V282-K287 HydrophobicContact CG1-CG 3.73Å; P283-K287 PolarHBondContact O-N 2.87Å; D284-K287 PolarHBondContact O-N 3.35Å; D284-K287 WeakPolarHBondContact OD1-CE 3.26Å; D284-K287 IonicContact OD1-NZ 3.04Å; D284-K287 PolarHBondContact OD1-NZ 2.68Å
288S93.9Very high96.8Very high112 Ų11242.8 Ų42.878%0.78323%0.234SC*.THydrogen-bonded Turntrans-110.712.9-175.269.10000113.7Y286Y286-S288 VanDerWaalsContact C-N 3.26Å; Y286-S288 PolarHBondContact O-N 3.1Å
289I95.5Very high96.7Very high66 Ų6642.7 Ų42.734%0.33823%0.233SC..SBendtrans-130.2155.5177.561.5171.2000109.6Y286 H291 K310Y286-I289 HydrophobicContact CD1-CD1 3.93Å; Y286-I289 HydrophobicContact CE1-CD1 4.24Å; Y286-I289 HydrophobicContact CG-CD1 4.15Å; Y286-I289 HydrophobicContact CG-CG1 4.44Å; Y286-I289 PolarHBondContact O-N 3.24Å; I289-H291 PolarHBondContact O-N 2.62Å; I289-H291 PolarHBondContact O-ND1 2.97Å; I289-K310 HydrophobicContact CD1-CG 4.27Å
290E96.4Very high96.7Very high93 Ų9342 Ų4244%0.43523%0.234SC..  trans-69.2133.4173.9-65.9-179.3123.300111R311E290-R311 HydrophobicContact CB-CB 3.9Å; E290-R311 PolarHBondContact O-N 2.72Å; E290-R311 IonicContact OE1-NH1 3Å; E290-R311 PolarHBondContact OE1-NH1 3.29Å; E290-R311 WeakPolarHBondContact OE2-CD 3.38Å; E290-R311 IonicContact OE2-CZ 2.61Å; E290-R311 IonicContact OE2-NE 2.71Å; E290-R311 IonicContact OE2-NH1 2.72Å; E290-R311 PolarHBondContact OE2-NH1 3.36Å
291H97.8Very high96.7Very high36 Ų3644.2 Ų44.217%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-149.4162.7-175.958.2-89.5000110.3Y286 I289 W308 L309Y286-H291 HydrophobicContact CD2-CB 3.67Å; Y286-H291 HydrophobicContact CE2-CB 4.33Å; Y286-H291 PolarHBondContact O-CE1 2.68Å; Y286-H291 PolarHBondContact O-ND1 3.22Å; I289-H291 PolarHBondContact O-N 2.62Å; I289-H291 PolarHBondContact O-ND1 2.97Å; H291-W308 AromaticContact CD2-CE3 3.72Å; H291-L309 CarbonylContact C-O 3.6Å; H291-L309 WeakPolarHBondContact CA-O 3.23Å; H291-L309 WeakPolarHBondContact CB-O 3.48Å
292Y98.4Very high96.8Very high2 Ų244.5 Ų44.51%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-115.6148.4174.5-51.9-61.6000110.6Y203 M207 N261 W308 L309 R311 Q313 I648Y203-Y292 HydrophobicContact CE2-CD1 4.34Å; Y203-Y292 VanDerWaalsContact OH-CA 3.26Å; Y203-Y292 WeakPolarHBondContact OH-CA 3.4Å; M207-Y292 HydrophobicContact CE-CD2 3.71Å; M207-Y292 HydrophobicContact CE-CE2 4.44Å; M207-Y292 HydrophobicContact CE-CG 3.78Å; N261-Y292 HydrophobicContact CB-CE1 4.26Å; N261-Y292 PolarHBondContact ND2-OH 3.11Å; Y292-W308 WeakPolarHBondContact O-CA 3.27Å; Y292-L309 HydrophobicContact CD2-CD2 4.42Å; Y292-L309 PolarHBondContact N-O 3.02Å; Y292-L309 PolarHBondContact O-N 2.62Å; Y292-R311 HydrophobicContact CE2-CB 4.49Å; Y292-Q313 HydrophobicContact CD2-CG 4.3Å; Y292-Q313 HydrophobicContact CE2-CG 4.06Å; Y292-I648 HydrophobicContact CD1-CD1 4.11Å; Y292-I648 HydrophobicContact CE1-CD1 3.87Å; Y292-I648 HydrophobicContact CE1-CG1 3.85Å; Y292-I648 HydrophobicContact CE2-CG1 4.25Å
293L98.4Very high96.8Very high0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-81.7107.3163.4176.161.8000107.8Y203 F208 A226 V264 L266 V296 V306 W308Y203-L293 HydrophobicContact CE1-CB 4.23Å; Y203-L293 VanDerWaalsContact CE1-O 3.31Å; Y203-L293 WeakPolarHBondContact CE1-O 3.44Å; Y203-L293 PolarHBondContact OH-N 2.88Å; F208-L293 WeakPolarHBondContact CE1-O 3.41Å; F208-L293 HydrophobicContact CZ-CD2 4.36Å; F208-L293 HydrophobicContact CZ-CG 4.34Å; A226-L293 HydrophobicContact CB-CD2 3.96Å; V264-L293 HydrophobicContact CB-CB 4.46Å; V264-L293 HydrophobicContact CG1-CB 3.79Å; V264-L293 HydrophobicContact CG2-CB 3.88Å; V264-L293 HydrophobicContact CG2-CD2 3.93Å; L266-L293 HydrophobicContact CB-CD2 4.49Å; L266-L293 HydrophobicContact CD1-CD2 4.37Å; L293-V296 HydrophobicContact CD1-CG2 3.83Å; L293-V296 HydrophobicContact CD2-CG2 4Å; L293-V296 HydrophobicContact CG-CG2 4.18Å; L293-V306 HydrophobicContact CD1-CG1 3.28Å; L293-W308 HydrophobicContact CB-CZ3 4.32Å; L293-W308 HydrophobicContact CD1-CE3 4.37Å; L293-W308 HydrophobicContact CD1-CH2 4.22Å; L293-W308 HydrophobicContact CD1-CZ2 4.49Å; L293-W308 HydrophobicContact CD1-CZ3 4.15Å
294A97.5Very high96.9Very high4 Ų445.3 Ų45.33%0.03325%0.248CC..EExtended strand (participates in β ladder)trans-87.3-45.8-17500000112.7M207 F208 Q307 L309 L316 P347M207-A294 HydrophobicContact SD-CB 3.97Å; F208-A294 WeakPolarHBondContact CE1-O 3.48Å; A294-Q307 HydrophobicContact CB-CB 3.97Å; A294-Q307 PolarHBondContact N-O 2.87Å; A294-L309 HydrophobicContact CB-CB 4.23Å; A294-L316 HydrophobicContact CB-CD1 4.47Å; A294-P347 HydrophobicContact CB-CB 4.41Å; A294-P347 HydrophobicContact CB-CG 3.93Å
295T97.1Very high97Very high10 Ų1039.4 Ų39.46%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-149.1151.4-178.765.80000111.3V306 Q307 E349T295-V306 WeakPolarHBondContact O-CA 3.38Å; T295-Q307 PolarHBondContact O-N 3.04Å; T295-Q307 VanDerWaalsContact OG1-CB 3.31Å; T295-Q307 WeakPolarHBondContact OG1-CB 3.11Å; T295-Q307 WeakPolarHBondContact OG1-CG 2.95Å; T295-Q307 PolarHBondContact OG1-OE1 2.9Å; T295-E349 HydrophobicContact CG2-CG 3.63Å
296V98.2Very high97.2Very high8 Ų835.9 Ų35.95%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-129.9113.1173.8-179.50000108.3W215 A224 L266 L293 I304W215-V296 HydrophobicContact CB-CG1 4.47Å; W215-V296 HydrophobicContact CD2-CB 3.76Å; W215-V296 HydrophobicContact CD2-CG1 3.97Å; W215-V296 HydrophobicContact CD2-CG2 4.33Å; W215-V296 HydrophobicContact CE3-CB 3.86Å; W215-V296 HydrophobicContact CE3-CG1 3.88Å; W215-V296 HydrophobicContact CE3-CG2 4.01Å; W215-V296 HydrophobicContact CG-CB 4.26Å; W215-V296 HydrophobicContact CG-CG1 4.23Å; W215-V296 HydrophobicContact CH2-CB 4.32Å; W215-V296 HydrophobicContact CH2-CG2 3.91Å; W215-V296 HydrophobicContact CZ2-CB 4.23Å; W215-V296 HydrophobicContact CZ2-CG2 4.23Å; W215-V296 HydrophobicContact CZ3-CB 4.14Å; W215-V296 HydrophobicContact CZ3-CG1 4.48Å; W215-V296 HydrophobicContact CZ3-CG2 3.79Å; A224-V296 HydrophobicContact CB-CG1 4.42Å; L266-V296 HydrophobicContact CD1-CG2 4.07Å; L266-V296 HydrophobicContact CD2-CG1 4.35Å; L266-V296 HydrophobicContact CD2-CG2 3.92Å; L293-V296 HydrophobicContact CD1-CG2 3.83Å; L293-V296 HydrophobicContact CD2-CG2 4Å; L293-V296 HydrophobicContact CG-CG2 4.18Å; V296-I304 HydrophobicContact CG1-CD1 3.6Å; V296-I304 HydrophobicContact CG1-CG1 4.14Å
297T97.8Very high97.3Very high23 Ų2335.3 Ų35.314%0.14119%0.189CC..EExtended strand (participates in β ladder)trans-125.1113.3-176.2-51.70000110.4A305 P350 F352T297-A305 PolarHBondContact N-O 3.13Å; T297-A305 PolarHBondContact O-N 3.39Å; T297-P350 HydrophobicContact CG2-CG 4.46Å; T297-F352 HydrophobicContact CG2-CD2 4.2Å; T297-F352 HydrophobicContact CG2-CE2 4.32Å
298W98.2Very high97.5Very high29 Ų2930 Ų3011%0.1117%0.166CC..EExtended strand (participates in β ladder)trans-71137.3171.5-75.1105.2000111.7W215 W216 P218 A224 V268 I304 W328W215-W298 PolarHBondContact O-NE1 3Å; W216-W298 PolarHBondContact O-NE1 3.38Å; P218-W298 HydrophobicContact CG-CB 4.11Å; A224-W298 HydrophobicContact CB-CZ2 3.79Å; V268-W298 HydrophobicContact CG1-CH2 4.03Å; V268-W298 HydrophobicContact CG1-CZ2 4.29Å; V268-W298 HydrophobicContact CG2-CH2 4.48Å; W298-I304 HydrophobicContact CD2-CB 4.42Å; W298-I304 HydrophobicContact CD2-CD1 4Å; W298-I304 HydrophobicContact CD2-CG1 4.11Å; W298-I304 HydrophobicContact CE3-CB 3.94Å; W298-I304 HydrophobicContact CE3-CD1 4.25Å; W298-I304 HydrophobicContact CE3-CG1 4.15Å; W298-I304 HydrophobicContact CH2-CD1 4.23Å; W298-I304 HydrophobicContact CZ2-CD1 3.96Å; W298-I304 HydrophobicContact CZ3-CB 4.11Å; W298-I304 HydrophobicContact CZ3-CD1 4.37Å; W298-W328 AromaticContact CH2-CH2 3.73Å; W298-W328 HydrophobicContact CH2-CH2 3.73Å; W298-W328 AromaticContact CH2-CZ2 3.82Å; W298-W328 HydrophobicContact CH2-CZ2 3.82Å; W298-W328 AromaticContact CZ3-CH2 3.49Å; W298-W328 HydrophobicContact CZ3-CH2 3.49Å; W298-W328 VanDerWaalsContact CZ3-CH2 3.49Å; W298-W328 HydrophobicContact CZ3-CZ2 4.09Å; W298-W328 HydrophobicContact CZ3-CZ3 4.21Å
299V97.1Very high97.7Very high23 Ų2324.7 Ų24.714%0.13913%0.129CC..EExtended strand (participates in β ladder)trans-103.2-51.1174.9-170.30000110.1R303 F352V299-R303 HydrophobicContact CB-CB 4.06Å; V299-R303 HydrophobicContact CB-CG 3.77Å; V299-R303 WeakPolarHBondContact CB-O 3.44Å; V299-R303 HydrophobicContact CG1-CG 4.34Å; V299-R303 HydrophobicContact CG2-CG 3.82Å; V299-R303 PolarHBondContact N-O 3.21Å; V299-F352 HydrophobicContact CB-CD1 4.22Å; V299-F352 HydrophobicContact CB-CE1 4.38Å; V299-F352 HydrophobicContact CB-CG 4.34Å; V299-F352 HydrophobicContact CG1-CB 4.23Å; V299-F352 HydrophobicContact CG1-CD1 3.49Å; V299-F352 VanDerWaalsContact CG1-CD1 3.49Å; V299-F352 HydrophobicContact CG1-CE1 3.98Å; V299-F352 HydrophobicContact CG1-CG 3.81Å; V299-F352 HydrophobicContact CG2-CD1 3.69Å; V299-F352 HydrophobicContact CG2-CD2 3.74Å; V299-F352 HydrophobicContact CG2-CE1 3.46Å; V299-F352 VanDerWaalsContact CG2-CE1 3.46Å; V299-F352 HydrophobicContact CG2-CE2 3.51Å; V299-F352 HydrophobicContact CG2-CG 3.83Å; V299-F352 HydrophobicContact CG2-CZ 3.38Å
300T97.3Very high97.9Very high56 Ų5624.2 Ų24.234%0.34412%0.124SC..EExtended strand (participates in β ladder)trans-139.4-178.917371.60000108.2T302 R303T300-T302 PolarHBondContact O-N 2.69Å; T300-T302 VanDerWaalsContact O-N 3.15Å; T300-T302 PolarHBondContact OG1-N 3.14Å; T300-T302 PolarHBondContact OG1-OG1 3.23Å; T300-R303 PolarHBondContact N-O 3.48Å; T300-R303 PolarHBondContact O-N 3.31Å; T300-R303 VanDerWaalsContact O-O 3.13Å; T300-R303 WeakPolarHBondContact OG1-CB 3.3Å; T300-R303 PolarHBondContact OG1-N 3.48Å
301D97Very high97.9Very high46 Ų4620.4 Ų20.425%0.24611%0.106CC..THydrogen-bonded Turntrans-62.8-18.3173.3-72-27.9000113.7S217 P218 G219 K221 Y222S217-D301 WeakPolarHBondContact CB-OD1 3.39Å; S217-D301 PolarHBondContact OG-OD1 2.76Å; P218-D301 WeakPolarHBondContact CD-OD1 3.45Å; G219-D301 WeakPolarHBondContact CA-OD1 3.35Å; G219-D301 WeakPolarHBondContact CA-OD2 3.48Å; G219-D301 PolarHBondContact N-OD1 2.86Å; K221-D301 HydrophobicContact CB-CB 4.43Å; Y222-D301 HydrophobicContact CD2-CB 4.44Å; Y222-D301 WeakPolarHBondContact CD2-O 3.06Å; Y222-D301 VanDerWaalsContact CE2-O 3.3Å; Y222-D301 WeakPolarHBondContact CE2-O 3.22Å
302T97.3Very high97.8Very high69 Ų6920.6 Ų20.642%0.42311%0.107SC..THydrogen-bonded Turntrans-122.814.1-175.162.20000112.8T300 D322 L323T300-T302 PolarHBondContact O-N 2.69Å; T300-T302 VanDerWaalsContact O-N 3.15Å; T300-T302 PolarHBondContact OG1-N 3.14Å; T300-T302 PolarHBondContact OG1-OG1 3.23Å; T302-D322 WeakPolarHBondContact O-CA 3.5Å; T302-L323 HydrophobicContact CG2-CB 4.44Å; T302-L323 HydrophobicContact CG2-CD2 4.21Å; T302-L323 PolarHBondContact O-N 3.37Å
303R98.1Very high97.8Very high47 Ų4720.6 Ų20.618%0.17711%0.107CC..EExtended strand (participates in β ladder)trans-143.2126.6178.6178.2175.1-83174.4-3.9110.6V299 T300 I320 Y321 D322 G356 N357V299-R303 HydrophobicContact CB-CB 4.06Å; V299-R303 HydrophobicContact CB-CG 3.77Å; V299-R303 WeakPolarHBondContact CB-O 3.44Å; V299-R303 HydrophobicContact CG1-CG 4.34Å; V299-R303 HydrophobicContact CG2-CG 3.82Å; V299-R303 PolarHBondContact N-O 3.21Å; T300-R303 PolarHBondContact N-O 3.48Å; T300-R303 PolarHBondContact O-N 3.31Å; T300-R303 VanDerWaalsContact O-O 3.13Å; T300-R303 WeakPolarHBondContact OG1-CB 3.3Å; T300-R303 PolarHBondContact OG1-N 3.48Å; R303-I320 HydrophobicContact CG-CG2 3.73Å; R303-Y321 WeakPolarHBondContact CA-O 3.02Å; R303-D322 WeakPolarHBondContact CB-OD1 3.29Å; R303-D322 VanDerWaalsContact CG-OD1 3.22Å; R303-D322 WeakPolarHBondContact CG-OD1 3.31Å; R303-D322 IonicContact CZ-OD1 3.48Å; R303-D322 IonicContact CZ-OD2 3.62Å; R303-D322 IonicContact NE-OD1 2.68Å; R303-D322 PolarHBondContact NE-OD1 3.37Å; R303-D322 IonicContact NE-OD2 3.6Å; R303-D322 IonicContact NH2-OD1 3.44Å; R303-D322 PolarHBondContact NH2-OD1 3.07Å; R303-D322 IonicContact NH2-OD2 2.79Å; R303-D322 PolarHBondContact NH2-OD2 2.61Å; R303-G356 PolarHBondContact NH1-O 3.28Å; R303-N357 PolarHBondContact NH1-OD1 2.61Å
304I98.3Very high97.8Very high0 Ų021.9 Ų21.90%011%0.114CC..EExtended strand (participates in β ladder)trans-133.1138.9-177.6-165.4172.4000110.4A224 V296 W298 V306 I320 Y321 W328A224-I304 HydrophobicContact CB-CD1 4.14Å; V296-I304 HydrophobicContact CG1-CD1 3.6Å; V296-I304 HydrophobicContact CG1-CG1 4.14Å; W298-I304 HydrophobicContact CD2-CB 4.42Å; W298-I304 HydrophobicContact CD2-CD1 4Å; W298-I304 HydrophobicContact CD2-CG1 4.11Å; W298-I304 HydrophobicContact CE3-CB 3.94Å; W298-I304 HydrophobicContact CE3-CD1 4.25Å; W298-I304 HydrophobicContact CE3-CG1 4.15Å; W298-I304 HydrophobicContact CH2-CD1 4.23Å; W298-I304 HydrophobicContact CZ2-CD1 3.96Å; W298-I304 HydrophobicContact CZ3-CB 4.11Å; W298-I304 HydrophobicContact CZ3-CD1 4.37Å; I304-V306 HydrophobicContact CG1-CG2 4.33Å; I304-I320 CarbonylContact O-C 3.59Å; I304-I320 WeakPolarHBondContact O-CA 3.35Å; I304-Y321 HydrophobicContact CG2-CD2 4.36Å; I304-Y321 PolarHBondContact N-O 2.85Å; I304-Y321 PolarHBondContact O-N 3.49Å; I304-W328 HydrophobicContact CB-CZ3 4.34Å; I304-W328 HydrophobicContact CG2-CD2 4.41Å; I304-W328 HydrophobicContact CG2-CE3 3.73Å; I304-W328 HydrophobicContact CG2-CZ3 3.84Å
305A98.3Very high97.8Very high1 Ų125.5 Ų25.51%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-107.8132.2173.500000109.6T297 L318 Q319 I320 P350 F352T297-A305 PolarHBondContact N-O 3.13Å; T297-A305 PolarHBondContact O-N 3.39Å; A305-L318 HydrophobicContact CB-CD2 4.35Å; A305-Q319 WeakPolarHBondContact CA-O 3.35Å; A305-I320 HydrophobicContact CB-CG1 4.15Å; A305-P350 HydrophobicContact CB-CG 4.37Å; A305-F352 HydrophobicContact CB-CE2 3.64Å; A305-F352 HydrophobicContact CB-CZ 3.63Å
306V98.6Very high97.8Very high0 Ų025.1 Ų25.10%013%0.127CC..EExtended strand (participates in β ladder)trans-131.4130.1-176.8-171.50000109.4L266 V280 L293 T295 I304 W308 Q319 Y321L266-V306 HydrophobicContact CD2-CG1 4.04Å; L266-V306 HydrophobicContact CD2-CG2 3.69Å; V280-V306 HydrophobicContact CG1-CG2 4.14Å; L293-V306 HydrophobicContact CD1-CG1 3.28Å; T295-V306 WeakPolarHBondContact O-CA 3.38Å; I304-V306 HydrophobicContact CG1-CG2 4.33Å; V306-W308 HydrophobicContact CB-CZ2 4.47Å; V306-W308 HydrophobicContact CG1-CD2 4.2Å; V306-W308 VanDerWaalsContact CG1-CE2 3.48Å; V306-W308 HydrophobicContact CG1-CH2 4.44Å; V306-W308 HydrophobicContact CG1-CZ2 3.64Å; V306-Q319 PolarHBondContact N-O 2.89Å; V306-Q319 PolarHBondContact O-N 3.4Å; V306-Y321 HydrophobicContact CB-CE2 4.07Å; V306-Y321 HydrophobicContact CG2-CD2 4.14Å; V306-Y321 HydrophobicContact CG2-CE2 4.02Å
307Q98.5Very high97.8Very high1 Ų125.3 Ų25.31%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-97.7125.4173.1-71.6179.4-31.500110.9A294 T295 L316 I317 L318 P348A294-Q307 HydrophobicContact CB-CB 3.97Å; A294-Q307 PolarHBondContact N-O 2.87Å; T295-Q307 PolarHBondContact O-N 3.04Å; T295-Q307 VanDerWaalsContact OG1-CB 3.31Å; T295-Q307 WeakPolarHBondContact OG1-CB 3.11Å; T295-Q307 WeakPolarHBondContact OG1-CG 2.95Å; T295-Q307 PolarHBondContact OG1-OE1 2.9Å; Q307-L316 HydrophobicContact CB-CD1 4.01Å; Q307-L316 HydrophobicContact CB-CD2 4.48Å; Q307-L316 HydrophobicContact CB-CG 4.42Å; Q307-L316 HydrophobicContact CG-CD1 4.36Å; Q307-L316 HydrophobicContact CG-CD2 4.15Å; Q307-I317 WeakPolarHBondContact CA-O 3.41Å; Q307-L318 HydrophobicContact CG-CB 4.01Å; Q307-L318 HydrophobicContact CG-CD1 4.31Å; Q307-L318 HydrophobicContact CG-CG 3.94Å; Q307-P348 PolarHBondContact NE2-O 3.38Å; Q307-P348 PolarHBondContact OE1-O 3.06Å
308W98.4Very high97.9Very high4 Ų424.2 Ų24.22%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-111.1124.2174.7-54.791.5000108.8L266 V282 P283 Y286 H291 Y292 L293 V306 L316 I317 Y321L266-W308 HydrophobicContact CB-CH2 4.36Å; V282-W308 HydrophobicContact CB-CD2 4.16Å; V282-W308 HydrophobicContact CB-CE3 4.1Å; V282-W308 HydrophobicContact CB-CH2 4.09Å; V282-W308 HydrophobicContact CB-CZ2 4.18Å; V282-W308 HydrophobicContact CB-CZ3 4.06Å; V282-W308 HydrophobicContact CG2-CB 4.46Å; V282-W308 HydrophobicContact CG2-CD2 3.68Å; V282-W308 HydrophobicContact CG2-CE3 3.7Å; V282-W308 HydrophobicContact CG2-CG 4.04Å; V282-W308 HydrophobicContact CG2-CZ3 4.16Å; P283-W308 HydrophobicContact CG-CG 4.41Å; Y286-W308 HydrophobicContact CD2-CB 3.82Å; Y286-W308 HydrophobicContact CE2-CB 4.06Å; Y286-W308 WeakPolarHBondContact CE2-O 3.42Å; H291-W308 AromaticContact CD2-CE3 3.72Å; Y292-W308 WeakPolarHBondContact O-CA 3.27Å; L293-W308 HydrophobicContact CB-CZ3 4.32Å; L293-W308 HydrophobicContact CD1-CE3 4.37Å; L293-W308 HydrophobicContact CD1-CH2 4.22Å; L293-W308 HydrophobicContact CD1-CZ2 4.49Å; L293-W308 HydrophobicContact CD1-CZ3 4.15Å; V306-W308 HydrophobicContact CB-CZ2 4.47Å; V306-W308 HydrophobicContact CG1-CD2 4.2Å; V306-W308 VanDerWaalsContact CG1-CE2 3.48Å; V306-W308 HydrophobicContact CG1-CH2 4.44Å; V306-W308 HydrophobicContact CG1-CZ2 3.64Å; W308-L316 WeakPolarHBondContact O-CA 3.4Å; W308-I317 PolarHBondContact N-O 3.22Å; W308-I317 PolarHBondContact O-N 3.38Å; W308-Y321 PolarHBondContact NE1-OH 3.05Å
309L98.5Very high97.9Very high1 Ų123.6 Ų23.61%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-113.6127.4-174.6-176.566.9000109.3M207 H291 Y292 A294 Q313 L316 I342 P347M207-L309 HydrophobicContact CE-CD2 4.07Å; M207-L309 HydrophobicContact SD-CD2 4.27Å; H291-L309 CarbonylContact C-O 3.6Å; H291-L309 WeakPolarHBondContact CA-O 3.23Å; H291-L309 WeakPolarHBondContact CB-O 3.48Å; Y292-L309 HydrophobicContact CD2-CD2 4.42Å; Y292-L309 PolarHBondContact N-O 3.02Å; Y292-L309 PolarHBondContact O-N 2.62Å; A294-L309 HydrophobicContact CB-CB 4.23Å; L309-Q313 HydrophobicContact CD1-CB 4.35Å; L309-Q313 HydrophobicContact CD2-CB 4.05Å; L309-Q313 HydrophobicContact CD2-CG 3.66Å; L309-Q313 HydrophobicContact CG-CB 4.26Å; L309-Q313 HydrophobicContact CG-CG 4.03Å; L309-L316 HydrophobicContact CB-CD1 4.32Å; L309-L316 HydrophobicContact CD1-CB 3.92Å; L309-L316 HydrophobicContact CD1-CD1 3.94Å; L309-I342 HydrophobicContact CD1-CB 4.09Å; L309-I342 HydrophobicContact CD1-CG1 4.21Å; L309-P347 HydrophobicContact CD1-CG 4.33Å; L309-P347 HydrophobicContact CD2-CG 3.99Å
310K97.7Very high97.9Very high55 Ų5522.7 Ų22.724%0.23911%0.114CC..EExtended strand (participates in β ladder)trans-61.2149.3174.9-174.2179.6-178.8-166.80110.2Y286 I289 Q312 Q313 Q315Y286-K310 HydrophobicContact CE2-CB 4.32Å; I289-K310 HydrophobicContact CD1-CG 4.27Å; K310-Q312 PolarHBondContact O-N 2.8Å; K310-Q312 VanDerWaalsContact O-N 3.07Å; K310-Q313 VanDerWaalsContact O-CA 3.3Å; K310-Q313 WeakPolarHBondContact O-CA 3.26Å; K310-Q313 PolarHBondContact O-N 3.34Å; K310-Q315 HydrophobicContact CB-CB 4.24Å; K310-Q315 HydrophobicContact CD-CB 4.32Å; K310-Q315 VanDerWaalsContact CD-OE1 3.29Å; K310-Q315 PolarHBondContact N-O 3.4Å
311R97.3Very high98Very high14 Ų1420.2 Ų20.25%0.05310%0.099CC..THydrogen-bonded Turntrans-49.2-37.2176.6177.2174176.5159.29.3114.6T259 E290 Y292 Q313 E651 Q656T259-R311 PolarHBondContact O-NH1 3.03Å; T259-R311 PolarHBondContact O-NH2 3.36Å; E290-R311 HydrophobicContact CB-CB 3.9Å; E290-R311 PolarHBondContact O-N 2.72Å; E290-R311 IonicContact OE1-NH1 3Å; E290-R311 PolarHBondContact OE1-NH1 3.29Å; E290-R311 WeakPolarHBondContact OE2-CD 3.38Å; E290-R311 IonicContact OE2-CZ 2.61Å; E290-R311 IonicContact OE2-NE 2.71Å; E290-R311 IonicContact OE2-NH1 2.72Å; E290-R311 PolarHBondContact OE2-NH1 3.36Å; Y292-R311 HydrophobicContact CE2-CB 4.49Å; R311-Q313 WeakPolarHBondContact O-CG 3.28Å; R311-Q313 PolarHBondContact O-N 2.98Å; R311-E651 WeakPolarHBondContact CG-OE2 3.32Å; R311-E651 IonicContact CZ-OE1 2.67Å; R311-E651 IonicContact CZ-OE2 3.79Å; R311-E651 IonicContact NE-OE1 3.54Å; R311-E651 IonicContact NE-OE2 3.07Å; R311-E651 PolarHBondContact NE-OE2 3.37Å; R311-E651 IonicContact NH2-OE1 3.18Å; R311-E651 PolarHBondContact NH2-OE1 3.37Å; R311-E651 IonicContact NH2-OE2 3.74Å; R311-E651 PolarHBondContact NH2-OE2 2.91Å; R311-Q656 VanDerWaalsContact NE-NE2 3.16Å
312Q96.4Very high98Very high39 Ų3920 Ų2018%0.18210%0.097CC..THydrogen-bonded Turntrans-70.9-12.6176.8-167178.28.900113.7K310 N314K310-Q312 PolarHBondContact O-N 2.8Å; K310-Q312 VanDerWaalsContact O-N 3.07Å; Q312-N314 PolarHBondContact NE2-ND2 3.41Å; Q312-N314 PolarHBondContact O-N 2.81Å; Q312-N314 VanDerWaalsContact O-N 3.14Å; Q312-N314 PolarHBondContact OE1-ND2 3.42Å
313Q98Very high98Very high3 Ų318.2 Ų18.21%0.0149%0.085CC..SBendtrans61.719.2174.8-57.6177.974.100115.8Y292 L309 K310 R311 W341 I342 I648 R652Y292-Q313 HydrophobicContact CD2-CG 4.3Å; Y292-Q313 HydrophobicContact CE2-CG 4.06Å; L309-Q313 HydrophobicContact CD1-CB 4.35Å; L309-Q313 HydrophobicContact CD2-CB 4.05Å; L309-Q313 HydrophobicContact CD2-CG 3.66Å; L309-Q313 HydrophobicContact CG-CB 4.26Å; L309-Q313 HydrophobicContact CG-CG 4.03Å; K310-Q313 VanDerWaalsContact O-CA 3.3Å; K310-Q313 WeakPolarHBondContact O-CA 3.26Å; K310-Q313 PolarHBondContact O-N 3.34Å; R311-Q313 WeakPolarHBondContact O-CG 3.28Å; R311-Q313 PolarHBondContact O-N 2.98Å; Q313-W341 CarbonylContact O-C 3.57Å; Q313-W341 WeakPolarHBondContact O-CA 3.16Å; Q313-I342 WeakPolarHBondContact O-CG1 3.37Å; Q313-I342 PolarHBondContact O-N 3.38Å; Q313-I648 PolarHBondContact NE2-O 3.18Å; Q313-R652 HydrophobicContact CB-CG 4.38Å; Q313-R652 VanDerWaalsContact OE1-CZ 3.25Å
314N97.4Very high97.9Very high27 Ų2721.7 Ų21.714%0.14411%0.107CC..SBendtrans-103.9-4.8176.163.5-4.3000113.6Q312 T337 S338 G340Q312-N314 PolarHBondContact NE2-ND2 3.41Å; Q312-N314 PolarHBondContact O-N 2.81Å; Q312-N314 VanDerWaalsContact O-N 3.14Å; Q312-N314 PolarHBondContact OE1-ND2 3.42Å; N314-T337 CarbonylContact O-C 3.07Å; N314-T337 WeakPolarHBondContact O-CA 3.45Å; N314-S338 PolarHBondContact O-N 3.04Å; N314-G340 WeakPolarHBondContact CB-O 3.31Å
315Q98.2Very high97.6Very high79 Ų7924.7 Ų24.737%0.36914%0.138SC..EExtended strand (participates in β ladder)trans-135.7131179.4-63.9-177.1-5500109.6Y286 K310 L336 T337Y286-Q315 PolarHBondContact OH-O 3.45Å; Y286-Q315 VanDerWaalsContact OH-O 3.11Å; K310-Q315 HydrophobicContact CB-CB 4.24Å; K310-Q315 HydrophobicContact CD-CB 4.32Å; K310-Q315 VanDerWaalsContact CD-OE1 3.29Å; K310-Q315 PolarHBondContact N-O 3.4Å; Q315-L336 WeakPolarHBondContact CA-O 3.17Å; Q315-T337 HydrophobicContact CG-CG2 4.29Å
316L98.3Very high97.2Very high2 Ų228.3 Ų28.31%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-134.8137.9179.8176.9135.1000110.6A294 Q307 W308 L309 L318 L336 I342 P347A294-L316 HydrophobicContact CB-CD1 4.47Å; Q307-L316 HydrophobicContact CB-CD1 4.01Å; Q307-L316 HydrophobicContact CB-CD2 4.48Å; Q307-L316 HydrophobicContact CB-CG 4.42Å; Q307-L316 HydrophobicContact CG-CD1 4.36Å; Q307-L316 HydrophobicContact CG-CD2 4.15Å; W308-L316 WeakPolarHBondContact O-CA 3.4Å; L309-L316 HydrophobicContact CB-CD1 4.32Å; L309-L316 HydrophobicContact CD1-CB 3.92Å; L309-L316 HydrophobicContact CD1-CD1 3.94Å; L316-L318 HydrophobicContact CD2-CB 4.35Å; L316-L336 HydrophobicContact CB-CB 4.42Å; L316-L336 HydrophobicContact CD2-CB 4.47Å; L316-L336 HydrophobicContact CD2-CD1 3.95Å; L316-L336 HydrophobicContact CD2-CG 4.26Å; L316-L336 PolarHBondContact N-O 2.71Å; L316-L336 PolarHBondContact O-N 2.72Å; L316-I342 HydrophobicContact CB-CG1 4.18Å; L316-I342 HydrophobicContact CB-CG2 4.1Å; L316-I342 HydrophobicContact CD1-CG2 4.15Å; L316-P347 HydrophobicContact CD1-CB 3.54Å; L316-P347 HydrophobicContact CD1-CG 3.52Å
317I98.1Very high97.1Very high13 Ų1330.8 Ų30.87%0.06718%0.177CC..EExtended strand (participates in β ladder)trans-112.1114.2169.5-53.9-175.8000107.9P283 S285 Y286 Q307 W308 Q319 H333 N335P283-I317 HydrophobicContact CB-CD1 4.16Å; P283-I317 HydrophobicContact CG-CB 4.47Å; P283-I317 HydrophobicContact CG-CD1 4.45Å; P283-I317 HydrophobicContact CG-CG2 4.02Å; S285-I317 WeakPolarHBondContact OG-CD1 3.26Å; Y286-I317 HydrophobicContact CD1-CD1 3.64Å; Y286-I317 HydrophobicContact CD1-CG1 4.39Å; Y286-I317 HydrophobicContact CE1-CD1 3.37Å; Y286-I317 HydrophobicContact CE1-CG1 3.75Å; Y286-I317 HydrophobicContact CE2-CG1 4.47Å; Y286-I317 HydrophobicContact CG-CD1 4.42Å; Q307-I317 WeakPolarHBondContact CA-O 3.41Å; W308-I317 PolarHBondContact N-O 3.22Å; W308-I317 PolarHBondContact O-N 3.38Å; I317-Q319 HydrophobicContact CG2-CB 4.33Å; I317-H333 HydrophobicContact CG2-CB 4.17Å; I317-N335 WeakPolarHBondContact CG1-OD1 3.35Å
318L98.4Very high97Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-86.8113.2162.9-173169.3000107.1A305 Q307 L316 I320 H333 L334 P350 Y359 L361A305-L318 HydrophobicContact CB-CD2 4.35Å; Q307-L318 HydrophobicContact CG-CB 4.01Å; Q307-L318 HydrophobicContact CG-CD1 4.31Å; Q307-L318 HydrophobicContact CG-CG 3.94Å; L316-L318 HydrophobicContact CD2-CB 4.35Å; L318-I320 HydrophobicContact CD2-CG1 4.01Å; L318-H333 CarbonylContact O-C 3.56Å; L318-H333 WeakPolarHBondContact O-CA 3.37Å; L318-H333 WeakPolarHBondContact O-CB 3.37Å; L318-L334 HydrophobicContact CB-CB 4.4Å; L318-L334 PolarHBondContact N-O 3.37Å; L318-L334 PolarHBondContact O-N 2.79Å; L318-P350 HydrophobicContact CD1-CB 3.94Å; L318-P350 HydrophobicContact CD1-CG 4Å; L318-Y359 HydrophobicContact CD1-CE2 3.73Å; L318-L361 HydrophobicContact CD1-CD2 4.33Å
319Q98.1Very high97Very high15 Ų1535.4 Ų35.47%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-114.1128.1-179.4-179.266.368.500110P283 A305 V306 I317 Y321 P330 E332P283-Q319 HydrophobicContact CG-CB 4.13Å; P283-Q319 HydrophobicContact CG-CG 4.31Å; A305-Q319 WeakPolarHBondContact CA-O 3.35Å; V306-Q319 PolarHBondContact N-O 2.89Å; V306-Q319 PolarHBondContact O-N 3.4Å; I317-Q319 HydrophobicContact CG2-CB 4.33Å; Q319-Y321 HydrophobicContact CB-CE2 3.74Å; Q319-Y321 HydrophobicContact CG-CD1 4.41Å; Q319-Y321 HydrophobicContact CG-CD2 4.03Å; Q319-Y321 HydrophobicContact CG-CE1 3.79Å; Q319-Y321 HydrophobicContact CG-CE2 3.35Å; Q319-Y321 VanDerWaalsContact CG-OH 3.3Å; Q319-Y321 WeakPolarHBondContact CG-OH 3.44Å; Q319-P330 HydrophobicContact CG-CB 4.11Å; Q319-E332 PolarHBondContact NE2-O 3.45Å
320I98.1Very high96.9Very high4 Ų439.1 Ų39.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-95.3135.2171.4-57.8177.9000108.5R303 I304 A305 L318 P330 V331 E332 F352 Y359R303-I320 HydrophobicContact CG-CG2 3.73Å; I304-I320 CarbonylContact O-C 3.59Å; I304-I320 WeakPolarHBondContact O-CA 3.35Å; A305-I320 HydrophobicContact CB-CG1 4.15Å; L318-I320 HydrophobicContact CD2-CG1 4.01Å; I320-P330 WeakPolarHBondContact O-CA 3.16Å; I320-V331 HydrophobicContact CB-CG2 4.16Å; I320-V331 HydrophobicContact CG2-CG2 3.8Å; I320-V331 PolarHBondContact O-N 3.43Å; I320-E332 HydrophobicContact CB-CB 4.29Å; I320-E332 HydrophobicContact CD1-CB 4.33Å; I320-E332 HydrophobicContact CD1-CG 4.39Å; I320-E332 PolarHBondContact N-O 2.8Å; I320-F352 HydrophobicContact CD1-CE1 3.99Å; I320-F352 HydrophobicContact CD1-CZ 3.95Å; I320-F352 HydrophobicContact CG1-CZ 4.38Å; I320-Y359 HydrophobicContact CD1-CD1 4.33Å; I320-Y359 HydrophobicContact CD1-CE1 3.95Å
321Y98.3Very high96.8Very high5 Ų540.1 Ų40.12%0.0223%0.233CC..EExtended strand (participates in β ladder)trans-121.2137.4176.5-56.2-97.8000110.8V280 V281 R303 I304 V306 W308 Q319 H329 P330V280-Y321 HydrophobicContact CG1-CD1 4.12Å; V280-Y321 HydrophobicContact CG1-CD2 3.65Å; V280-Y321 HydrophobicContact CG1-CE1 4.13Å; V280-Y321 HydrophobicContact CG1-CE2 3.63Å; V280-Y321 HydrophobicContact CG1-CG 3.9Å; V281-Y321 PolarHBondContact O-OH 2.97Å; R303-Y321 WeakPolarHBondContact CA-O 3.02Å; I304-Y321 HydrophobicContact CG2-CD2 4.36Å; I304-Y321 PolarHBondContact N-O 2.85Å; I304-Y321 PolarHBondContact O-N 3.49Å; V306-Y321 HydrophobicContact CB-CE2 4.07Å; V306-Y321 HydrophobicContact CG2-CD2 4.14Å; V306-Y321 HydrophobicContact CG2-CE2 4.02Å; W308-Y321 PolarHBondContact NE1-OH 3.05Å; Q319-Y321 HydrophobicContact CB-CE2 3.74Å; Q319-Y321 HydrophobicContact CG-CD1 4.41Å; Q319-Y321 HydrophobicContact CG-CD2 4.03Å; Q319-Y321 HydrophobicContact CG-CE1 3.79Å; Q319-Y321 HydrophobicContact CG-CE2 3.35Å; Q319-Y321 VanDerWaalsContact CG-OH 3.3Å; Q319-Y321 WeakPolarHBondContact CG-OH 3.44Å; Y321-H329 CarbonylContact C-O 3.47Å; Y321-H329 WeakPolarHBondContact CA-O 3.42Å; Y321-P330 HydrophobicContact CD1-CB 4.12Å; Y321-P330 HydrophobicContact CE1-CB 4.01Å
322D97.8Very high96.7Very high41 Ų4141.2 Ų41.222%0.21924%0.239CC..EExtended strand (participates in β ladder)trans-108.3142.9170.2-73.5-12.8000110.3T302 R303 H329 V331T302-D322 WeakPolarHBondContact O-CA 3.5Å; R303-D322 WeakPolarHBondContact CB-OD1 3.29Å; R303-D322 VanDerWaalsContact CG-OD1 3.22Å; R303-D322 WeakPolarHBondContact CG-OD1 3.31Å; R303-D322 IonicContact CZ-OD1 3.48Å; R303-D322 IonicContact CZ-OD2 3.62Å; R303-D322 IonicContact NE-OD1 2.68Å; R303-D322 PolarHBondContact NE-OD1 3.37Å; R303-D322 IonicContact NE-OD2 3.6Å; R303-D322 IonicContact NH2-OD1 3.44Å; R303-D322 PolarHBondContact NH2-OD1 3.07Å; R303-D322 IonicContact NH2-OD2 2.79Å; R303-D322 PolarHBondContact NH2-OD2 2.61Å; D322-H329 PolarHBondContact N-O 3Å; D322-H329 PolarHBondContact O-N 3.11Å; D322-V331 HydrophobicContact CB-CG1 3.87Å; D322-V331 HydrophobicContact CB-CG2 4.5Å
323L97.4Very high96.7Very high32 Ų3243.8 Ų43.817%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-76.9124.2173.6-175.769.4000110.2Y222 T302 W328Y222-L323 HydrophobicContact CE1-CD2 4.28Å; Y222-L323 HydrophobicContact CE2-CD2 3.86Å; Y222-L323 WeakPolarHBondContact OH-CD2 3.26Å; T302-L323 HydrophobicContact CG2-CB 4.44Å; T302-L323 HydrophobicContact CG2-CD2 4.21Å; T302-L323 PolarHBondContact O-N 3.37Å; L323-W328 HydrophobicContact CB-CD2 4.38Å; L323-W328 HydrophobicContact CB-CE3 4.09Å; L323-W328 HydrophobicContact CB-CH2 3.81Å; L323-W328 HydrophobicContact CB-CZ2 4.14Å; L323-W328 HydrophobicContact CB-CZ3 3.81Å; L323-W328 HydrophobicContact CD1-CD2 4.14Å; L323-W328 HydrophobicContact CD1-CG 4.47Å; L323-W328 HydrophobicContact CD1-CZ2 3.98Å; L323-W328 HydrophobicContact CD2-CZ2 4.43Å; L323-W328 HydrophobicContact CG-CZ2 4.41Å
324N95.4Very high96.7Very high119 Ų11944.3 Ų44.364%0.63625%0.254SS*.EExtended strand (participates in β ladder)trans-126116.3169.5-171.91.4000109.7T326 S327N324-T326 PolarHBondContact O-N 2.93Å; N324-T326 VanDerWaalsContact O-N 3.13Å; N324-S327 PolarHBondContact N-O 2.85Å; N324-S327 PolarHBondContact O-N 2.99Å; N324-S327 VanDerWaalsContact O-N 3.08Å
325G92.4Very high96.6Very high63 Ų6347.3 Ų47.365%0.64927%0.27SS*.THydrogen-bonded Turntrans62.7-112.2-168.100000110.3
326T90.8Very high96.6Very high78 Ų7844.8 Ų44.848%0.47926%0.259SS..THydrogen-bonded Turntrans-1110.8176.157.50000113.1I276 T278 N324I276-T326 HydrophobicContact CG2-CG2 3.95Å; T278-T326 WeakPolarHBondContact CB-O 3.45Å; T278-T326 VanDerWaalsContact CG2-O 3.28Å; T278-T326 WeakPolarHBondContact CG2-O 3.29Å; T278-T326 PolarHBondContact OG1-O 3.36Å; N324-T326 PolarHBondContact O-N 2.93Å; N324-T326 VanDerWaalsContact O-N 3.13Å
327S95Very high96.5Very high51 Ų5149.9 Ų49.936%0.35729%0.29SS..EExtended strand (participates in β ladder)trans-110.1142.6-172.8-660000112.6N324 H329N324-S327 PolarHBondContact N-O 2.85Å; N324-S327 PolarHBondContact O-N 2.99Å; N324-S327 VanDerWaalsContact O-N 3.08Å; S327-H329 WeakPolarHBondContact CB-NE2 3.39Å; S327-H329 PolarHBondContact O-CD2 3.2Å; S327-H329 VanDerWaalsContact O-CD2 3.29Å
328W97.1Very high96.5Very high15 Ų1550.3 Ų50.36%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-92117.3177.1-67.596.3000110.3V268 V280 W298 I304 L323V268-W328 HydrophobicContact CB-CZ2 4.36Å; V268-W328 HydrophobicContact CG1-CZ2 3.8Å; V268-W328 HydrophobicContact CG2-CZ2 4.32Å; V280-W328 HydrophobicContact CG2-CB 4.04Å; V280-W328 HydrophobicContact CG2-CD2 4.27Å; V280-W328 HydrophobicContact CG2-CG 3.74Å; W298-W328 AromaticContact CH2-CH2 3.73Å; W298-W328 HydrophobicContact CH2-CH2 3.73Å; W298-W328 AromaticContact CH2-CZ2 3.82Å; W298-W328 HydrophobicContact CH2-CZ2 3.82Å; W298-W328 AromaticContact CZ3-CH2 3.49Å; W298-W328 HydrophobicContact CZ3-CH2 3.49Å; W298-W328 VanDerWaalsContact CZ3-CH2 3.49Å; W298-W328 HydrophobicContact CZ3-CZ2 4.09Å; W298-W328 HydrophobicContact CZ3-CZ3 4.21Å; I304-W328 HydrophobicContact CB-CZ3 4.34Å; I304-W328 HydrophobicContact CG2-CD2 4.41Å; I304-W328 HydrophobicContact CG2-CE3 3.73Å; I304-W328 HydrophobicContact CG2-CZ3 3.84Å; L323-W328 HydrophobicContact CB-CD2 4.38Å; L323-W328 HydrophobicContact CB-CE3 4.09Å; L323-W328 HydrophobicContact CB-CH2 3.81Å; L323-W328 HydrophobicContact CB-CZ2 4.14Å; L323-W328 HydrophobicContact CB-CZ3 3.81Å; L323-W328 HydrophobicContact CD1-CD2 4.14Å; L323-W328 HydrophobicContact CD1-CG 4.47Å; L323-W328 HydrophobicContact CD1-CZ2 3.98Å; L323-W328 HydrophobicContact CD2-CZ2 4.43Å; L323-W328 HydrophobicContact CG-CZ2 4.41Å
329H97.4Very high96.4Very high87 Ų8755.2 Ų55.240%0.40333%0.326SS..EExtended strand (participates in β ladder)trans-111.2133.5-175.5-66.3-84.4000111.6Y321 D322 S327 V331Y321-H329 CarbonylContact C-O 3.47Å; Y321-H329 WeakPolarHBondContact CA-O 3.42Å; D322-H329 PolarHBondContact N-O 3Å; D322-H329 PolarHBondContact O-N 3.11Å; S327-H329 WeakPolarHBondContact CB-NE2 3.39Å; S327-H329 PolarHBondContact O-CD2 3.2Å; S327-H329 VanDerWaalsContact O-CD2 3.29Å; H329-V331 PolarHBondContact O-N 2.67Å
330P96.7Very high96.4Very high80 Ų8054.5 Ų54.552%0.51932%0.323SS..EExtended strand (participates in β ladder)trans-66130.8176.327.8-33.8000110.5Q319 I320 Y321Q319-P330 HydrophobicContact CG-CB 4.11Å; I320-P330 WeakPolarHBondContact O-CA 3.16Å; Y321-P330 HydrophobicContact CD1-CB 4.12Å; Y321-P330 HydrophobicContact CE1-CB 4.01Å
331V95.8Very high96.3Very high76 Ų7654.3 Ų54.346%0.46132%0.322SS..EExtended strand (participates in β ladder)trans-120.2-29.8-178.7-66.20000113.9I320 D322 H329I320-V331 HydrophobicContact CB-CG2 4.16Å; I320-V331 HydrophobicContact CG2-CG2 3.8Å; I320-V331 PolarHBondContact O-N 3.43Å; D322-V331 HydrophobicContact CB-CG1 3.87Å; D322-V331 HydrophobicContact CB-CG2 4.5Å; H329-V331 PolarHBondContact O-N 2.67Å
332E95.7Very high96.3Very high37 Ų3754.8 Ų54.817%0.17332%0.324CS..EExtended strand (participates in β ladder)trans-153.1143.6-177.2176.1177.8150.900109.9Q319 I320 G377 G378Q319-E332 PolarHBondContact NE2-O 3.45Å; I320-E332 HydrophobicContact CB-CB 4.29Å; I320-E332 HydrophobicContact CD1-CB 4.33Å; I320-E332 HydrophobicContact CD1-CG 4.39Å; I320-E332 PolarHBondContact N-O 2.8Å; E332-G377 VanDerWaalsContact CD-CA 3.45Å; E332-G377 WeakPolarHBondContact OE1-CA 3.38Å; E332-G377 PolarHBondContact OE1-N 2.88Å; E332-G377 WeakPolarHBondContact OE2-CA 3.31Å; E332-G378 PolarHBondContact OE1-N 2.93Å
333H95.8Very high96.2Very high93 Ų9353.4 Ų53.443%0.43132%0.319SS..EExtended strand (participates in β ladder)trans-138.8157.417168.2-97.6000113I317 L318 N335 G378I317-H333 HydrophobicContact CG2-CB 4.17Å; L318-H333 CarbonylContact O-C 3.56Å; L318-H333 WeakPolarHBondContact O-CA 3.37Å; L318-H333 WeakPolarHBondContact O-CB 3.37Å; H333-N335 PolarHBondContact CD2-ND2 2.95Å; H333-N335 VanDerWaalsContact CD2-ND2 3.34Å; H333-N335 PolarHBondContact NE2-ND2 3.18Å; H333-G378 WeakPolarHBondContact O-CA 3.5Å
334L97.5Very high96Very high14 Ų1453.7 Ų53.77%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-125.8124.9168.5177.269.8000108.7L318 L336 Y359 L361 V375 G378 A380L318-L334 HydrophobicContact CB-CB 4.4Å; L318-L334 PolarHBondContact N-O 3.37Å; L318-L334 PolarHBondContact O-N 2.79Å; L334-L336 HydrophobicContact CD1-CD2 4.43Å; L334-L336 HydrophobicContact CD2-CD2 3.96Å; L334-L336 HydrophobicContact CD2-CG 4.49Å; L334-L336 HydrophobicContact CG-CD2 3.95Å; L334-L336 HydrophobicContact CG-CG 4.44Å; L334-Y359 WeakPolarHBondContact CB-OH 3.38Å; L334-L361 HydrophobicContact CD2-CD2 3.88Å; L334-V375 HydrophobicContact CD2-CG1 4.36Å; L334-V375 HydrophobicContact CD2-CG2 4.15Å; L334-G378 WeakPolarHBondContact CD1-O 3.2Å; L334-A380 HydrophobicContact CD1-CB 4.47Å
335N97Very high95.8Very high90 Ų9051.1 Ų51.148%0.48130%0.301SS..EExtended strand (participates in β ladder)trans-98.3128.3176.5-63.2-41000109.8I317 H333I317-N335 WeakPolarHBondContact CG1-OD1 3.35Å; H333-N335 PolarHBondContact CD2-ND2 2.95Å; H333-N335 VanDerWaalsContact CD2-ND2 3.34Å; H333-N335 PolarHBondContact NE2-ND2 3.18Å
336L97.2Very high95.8Very high26 Ų2649.5 Ų49.514%0.13628%0.28CS..EExtended strand (participates in β ladder)trans-116.6141.6175.5-56.9-175.6000110.5Q315 L316 L334 I342 L361 M363Q315-L336 WeakPolarHBondContact CA-O 3.17Å; L316-L336 HydrophobicContact CB-CB 4.42Å; L316-L336 HydrophobicContact CD2-CB 4.47Å; L316-L336 HydrophobicContact CD2-CD1 3.95Å; L316-L336 HydrophobicContact CD2-CG 4.26Å; L316-L336 PolarHBondContact N-O 2.71Å; L316-L336 PolarHBondContact O-N 2.72Å; L334-L336 HydrophobicContact CD1-CD2 4.43Å; L334-L336 HydrophobicContact CD2-CD2 3.96Å; L334-L336 HydrophobicContact CD2-CG 4.49Å; L334-L336 HydrophobicContact CG-CD2 3.95Å; L334-L336 HydrophobicContact CG-CG 4.44Å; L336-I342 HydrophobicContact CB-CD1 3.9Å; L336-L361 HydrophobicContact CD1-CD2 4.04Å; L336-M363 HydrophobicContact CD1-SD 4.48Å; L336-M363 HydrophobicContact CD2-SD 3.57Å; L336-M363 VanDerWaalsContact CD2-SD 3.57Å
337T97.1Very high96Very high109 Ų10946.3 Ų46.367%0.66926%0.261SS*.EExtended strand (participates in β ladder)trans-134.914117758.60000110.1N314 Q315N314-T337 CarbonylContact O-C 3.07Å; N314-T337 WeakPolarHBondContact O-CA 3.45Å; Q315-T337 HydrophobicContact CG-CG2 4.29Å
338S97.3Very high95.9Very high21 Ų2145.7 Ų45.715%0.14726%0.255CS..  trans-127144.3178.3178.60000111.4N314 G340 W341 F575N314-S338 PolarHBondContact O-N 3.04Å; S338-G340 PolarHBondContact O-N 2.93Å; S338-G340 PolarHBondContact OG-N 3.15Å; S338-G340 VanDerWaalsContact OG-N 3.16Å; S338-W341 WeakPolarHBondContact CB-O 3.25Å; S338-W341 PolarHBondContact OG-N 3.13Å; S338-W341 PolarHBondContact OG-O 3.4Å; S338-F575 WeakPolarHBondContact OG-CE2 3.29Å; S338-F575 WeakPolarHBondContact OG-CZ 3.34Å
339P96.8Very high95.8Very high104 Ų10451 Ų5168%0.67528%0.281SS*.SBendtrans-71.8-15.6170.230.8-35.3000113.4F575P339-F575 HydrophobicContact CG-CD2 4.2Å; P339-F575 HydrophobicContact CG-CE2 4.06Å
340G96.9Very high95.8Very high0 Ų047 Ų470%026%0.263CS..SBendtrans-115.5-103.117100000109.6N314 S338N314-G340 WeakPolarHBondContact CB-O 3.31Å; S338-G340 PolarHBondContact O-N 2.93Å; S338-G340 PolarHBondContact OG-N 3.15Å; S338-G340 VanDerWaalsContact OG-N 3.16Å
341W97.7Very high95.8Very high0 Ų045.2 Ų45.20%025%0.25CS..  trans-126162.5174.660.294.2000111.8Q313 S338 R344 M574 F575 Y578 R652 Y653Q313-W341 CarbonylContact O-C 3.57Å; Q313-W341 WeakPolarHBondContact O-CA 3.16Å; S338-W341 WeakPolarHBondContact CB-O 3.25Å; S338-W341 PolarHBondContact OG-N 3.13Å; S338-W341 PolarHBondContact OG-O 3.4Å; W341-R344 PolarHBondContact NE1-O 3.28Å; W341-M574 HydrophobicContact CH2-CG 4.05Å; W341-M574 WeakPolarHBondContact CH2-O 3.37Å; W341-M574 HydrophobicContact CZ2-CE 3.94Å; W341-M574 HydrophobicContact CZ2-CG 3.56Å; W341-M574 HydrophobicContact CZ2-SD 3.98Å; W341-F575 AromaticContact CD2-CD1 3.93Å; W341-F575 HydrophobicContact CD2-CD1 3.93Å; W341-F575 AromaticContact CD2-CE1 3.52Å; W341-F575 HydrophobicContact CD2-CE1 3.52Å; W341-F575 HydrophobicContact CD2-CZ 4.46Å; W341-F575 AromaticContact CE2-CD1 3.93Å; W341-F575 AromaticContact CE2-CE1 3.53Å; W341-F575 AromaticContact CE3-CD1 3.66Å; W341-F575 HydrophobicContact CE3-CD1 3.66Å; W341-F575 AromaticContact CE3-CE1 3.72Å; W341-F575 HydrophobicContact CE3-CE1 3.72Å; W341-F575 HydrophobicContact CG-CE1 4.13Å; W341-F575 AromaticContact CH2-CD1 3.48Å; W341-F575 HydrophobicContact CH2-CD1 3.48Å; W341-F575 VanDerWaalsContact CH2-CD1 3.48Å; W341-F575 AromaticContact CH2-CE1 3.99Å; W341-F575 HydrophobicContact CH2-CE1 3.99Å; W341-F575 AromaticContact CZ2-CD1 3.74Å; W341-F575 HydrophobicContact CZ2-CD1 3.74Å; W341-F575 AromaticContact CZ2-CE1 3.79Å; W341-F575 HydrophobicContact CZ2-CE1 3.79Å; W341-F575 AromaticContact CZ3-CD1 3.42Å; W341-F575 HydrophobicContact CZ3-CD1 3.42Å; W341-F575 VanDerWaalsContact CZ3-CD1 3.42Å; W341-F575 AromaticContact CZ3-CE1 3.95Å; W341-F575 HydrophobicContact CZ3-CE1 3.95Å; W341-F575 HydrophobicContact CZ3-CG 4.3Å; W341-F575 VanDerWaalsContact O-CZ 3.32Å; W341-F575 WeakPolarHBondContact O-CZ 3.1Å; W341-Y578 AromaticContact CE3-CD2 3.83Å; W341-Y578 HydrophobicContact CE3-CD2 3.83Å; W341-Y578 HydrophobicContact CE3-CE2 4.34Å; W341-Y578 HydrophobicContact CE3-CG 4.46Å; W341-Y578 AromaticContact CZ3-CD2 3.91Å; W341-Y578 HydrophobicContact CZ3-CD2 3.91Å; W341-Y578 HydrophobicContact CZ3-CG 4.3Å; W341-R652 HydrophobicContact CB-CG 3.71Å; W341-R652 HydrophobicContact CD2-CG 4.37Å; W341-R652 HydrophobicContact CG-CG 3.78Å; W341-Y653 AromaticContact CD2-CD1 3.96Å; W341-Y653 HydrophobicContact CD2-CD1 3.96Å; W341-Y653 AromaticContact CD2-CE1 3.92Å; W341-Y653 HydrophobicContact CD2-CE1 3.92Å; W341-Y653 AromaticContact CE2-CD1 3.95Å; W341-Y653 AromaticContact CE2-CE1 3.54Å; W341-Y653 AromaticContact CE3-CD1 3.83Å; W341-Y653 HydrophobicContact CE3-CD1 3.83Å; W341-Y653 HydrophobicContact CE3-CE1 4.26Å; W341-Y653 AromaticContact CH2-CD1 3.68Å; W341-Y653 HydrophobicContact CH2-CD1 3.68Å; W341-Y653 AromaticContact CH2-CE1 3.91Å; W341-Y653 HydrophobicContact CH2-CE1 3.91Å; W341-Y653 AromaticContact CZ2-CD1 3.81Å; W341-Y653 HydrophobicContact CZ2-CD1 3.81Å; W341-Y653 AromaticContact CZ2-CE1 3.53Å; W341-Y653 HydrophobicContact CZ2-CE1 3.53Å; W341-Y653 AromaticContact CZ3-CD1 3.7Å; W341-Y653 HydrophobicContact CZ3-CD1 3.7Å; W341-Y653 HydrophobicContact CZ3-CE1 4.27Å; W341-Y653 AromaticContact NE1-CE1 3.94Å
342I97.6Very high95.9Very high15 Ų1543 Ų438%0.07724%0.235CC..SBendtrans-81.4140.4179.2-63.5-71.9000110.2L309 Q313 L316 L336 P347L309-I342 HydrophobicContact CD1-CB 4.09Å; L309-I342 HydrophobicContact CD1-CG1 4.21Å; Q313-I342 WeakPolarHBondContact O-CG1 3.37Å; Q313-I342 PolarHBondContact O-N 3.38Å; L316-I342 HydrophobicContact CB-CG1 4.18Å; L316-I342 HydrophobicContact CB-CG2 4.1Å; L316-I342 HydrophobicContact CD1-CG2 4.15Å; L336-I342 HydrophobicContact CB-CD1 3.9Å; I342-P347 HydrophobicContact CG2-CB 4.25Å; I342-P347 HydrophobicContact CG2-CG 4.18Å
343G94.8Very high95.8Very high11 Ų1141.5 Ų41.511%0.11323%0.228CC..SBendtrans79-159.6177.100000112.9K370G343-K370 WeakPolarHBondContact O-CE 3.37Å; G343-K370 PolarHBondContact O-NZ 3.17Å
344R94.1Very high95.7Very high38 Ų3841.3 Ų41.314%0.14324%0.235CC..SBendtrans-98.1-80.9171.6-177.4-177.6-60.7123.53.3108.1W341 S346 E389 C534 M574W341-R344 PolarHBondContact NE1-O 3.28Å; R344-S346 PolarHBondContact N-O 3.41Å; R344-E389 IonicContact CZ-OE2 2.91Å; R344-E389 IonicContact NE-OE2 3.87Å; R344-E389 IonicContact NH2-OE2 2.91Å; R344-E389 PolarHBondContact NH2-OE2 2.6Å; R344-C534 HydrophobicContact CG-CB 3.84Å; R344-C534 PolarHBondContact O-SG 3.2Å; R344-M574 HydrophobicContact CG-SD 4.25Å
345F91.3Very high95.4Very high65 Ų6544 Ų4429%0.28525%0.25SS..SBendtrans-92.4-53169.7-178.1-101.6000110.2E206 Y649 R652E206-F345 WeakPolarHBondContact OE2-CZ 3.36Å; F345-Y649 HydrophobicContact CE2-CD2 4.3Å; F345-Y649 HydrophobicContact CE2-CE2 4.39Å; F345-R652 VanDerWaalsContact O-CZ 3.3Å; F345-R652 PolarHBondContact O-NE 3.07Å
346S92.2Very high95.3Very high30 Ų3040.3 Ų40.321%0.2123%0.233CC..SBendtrans-117.1164.9170.2-53.70000111M207 R344M207-S346 PolarHBondContact O-OG 2.85Å; M207-S346 VanDerWaalsContact O-OG 3.07Å; R344-S346 PolarHBondContact N-O 3.41Å
347P94.9Very high95Very high10 Ų1043.6 Ų43.67%0.06525%0.25CS..PPolyproline II helixtrans-58.1139.2167.7-24.636.2000111.8A294 L309 L316 I342A294-P347 HydrophobicContact CB-CB 4.41Å; A294-P347 HydrophobicContact CB-CG 3.93Å; L309-P347 HydrophobicContact CD1-CG 4.33Å; L309-P347 HydrophobicContact CD2-CG 3.99Å; L316-P347 HydrophobicContact CD1-CB 3.54Å; L316-P347 HydrophobicContact CD1-CG 3.52Å; I342-P347 HydrophobicContact CG2-CB 4.25Å; I342-P347 HydrophobicContact CG2-CG 4.18Å
348P93.6Very high95Very high38 Ų3838.6 Ų38.625%0.24722%0.22CC..PPolyproline II helixtrans-74.6143.3176.225.8-26.7000111.4Q307 L361 I362Q307-P348 PolarHBondContact NE2-O 3.38Å; Q307-P348 PolarHBondContact OE1-O 3.06Å; P348-L361 HydrophobicContact CB-CD1 4.41Å; P348-L361 HydrophobicContact CG-CD1 4.11Å; P348-L361 VanDerWaalsContact O-CD1 3.3Å; P348-L361 WeakPolarHBondContact O-CD1 3.47Å; P348-I362 HydrophobicContact CB-CB 4.38Å; P348-I362 HydrophobicContact CG-CB 4.36Å; P348-I362 WeakPolarHBondContact CG-O 3.23Å
349E94.4Very high95Very high126 Ų12637.6 Ų37.659%0.58921%0.213SC*.PPolyproline II helixtrans-70.6141.8174.6-68.3-177.9-17700111.8T295T295-E349 HydrophobicContact CG2-CG 3.63Å
350P97Very high95Very high4 Ų432.8 Ų32.83%0.02618%0.181CC..PPolyproline II helixtrans-72.9132.3171.830.1-33.4000111.4T297 A305 L318 F352 Y359 L361T297-P350 HydrophobicContact CG2-CG 4.46Å; A305-P350 HydrophobicContact CB-CG 4.37Å; L318-P350 HydrophobicContact CD1-CB 3.94Å; L318-P350 HydrophobicContact CD1-CG 4Å; P350-F352 HydrophobicContact CB-CE2 4.01Å; P350-F352 HydrophobicContact CG-CE2 3.94Å; P350-Y359 HydrophobicContact CB-CD2 3.67Å; P350-Y359 HydrophobicContact CB-CE2 4.16Å; P350-Y359 HydrophobicContact CB-CG 4.24Å; P350-L361 HydrophobicContact CB-CD1 4.45Å
351V97.5Very high95.1Very high42 Ų4232.8 Ų32.826%0.25518%0.181SC..EExtended strand (participates in β ladder)trans-103.5104.8173.9-172.10000109.6Y359 Y360 I393 V396V351-Y359 WeakPolarHBondContact O-CA 3.34Å; V351-Y360 PolarHBondContact N-O 2.85Å; V351-Y360 PolarHBondContact O-N 3.36Å; V351-I393 HydrophobicContact CB-CB 4.38Å; V351-I393 HydrophobicContact CB-CG2 3.89Å; V351-I393 HydrophobicContact CG1-CG2 4.05Å; V351-I393 HydrophobicContact CG2-CB 3.8Å; V351-I393 HydrophobicContact CG2-CD1 4.28Å; V351-I393 HydrophobicContact CG2-CG2 3.8Å; V351-V396 HydrophobicContact CB-CG2 4.1Å; V351-V396 HydrophobicContact CG1-CB 4.07Å; V351-V396 HydrophobicContact CG1-CG2 3.49Å; V351-V396 VanDerWaalsContact CG1-CG2 3.49Å
352F96.9Very high95.1Very high31 Ų3133.5 Ų33.514%0.13619%0.185CC..EExtended strand (participates in β ladder)trans-68139.6-176.9-79.4-94.7000112.6T297 V299 A305 I320 P350 Y359T297-F352 HydrophobicContact CG2-CD2 4.2Å; T297-F352 HydrophobicContact CG2-CE2 4.32Å; V299-F352 HydrophobicContact CB-CD1 4.22Å; V299-F352 HydrophobicContact CB-CE1 4.38Å; V299-F352 HydrophobicContact CB-CG 4.34Å; V299-F352 HydrophobicContact CG1-CB 4.23Å; V299-F352 HydrophobicContact CG1-CD1 3.49Å; V299-F352 VanDerWaalsContact CG1-CD1 3.49Å; V299-F352 HydrophobicContact CG1-CE1 3.98Å; V299-F352 HydrophobicContact CG1-CG 3.81Å; V299-F352 HydrophobicContact CG2-CD1 3.69Å; V299-F352 HydrophobicContact CG2-CD2 3.74Å; V299-F352 HydrophobicContact CG2-CE1 3.46Å; V299-F352 VanDerWaalsContact CG2-CE1 3.46Å; V299-F352 HydrophobicContact CG2-CE2 3.51Å; V299-F352 HydrophobicContact CG2-CG 3.83Å; V299-F352 HydrophobicContact CG2-CZ 3.38Å; A305-F352 HydrophobicContact CB-CE2 3.64Å; A305-F352 HydrophobicContact CB-CZ 3.63Å; I320-F352 HydrophobicContact CD1-CE1 3.99Å; I320-F352 HydrophobicContact CD1-CZ 3.95Å; I320-F352 HydrophobicContact CG1-CZ 4.38Å; P350-F352 HydrophobicContact CB-CE2 4.01Å; P350-F352 HydrophobicContact CG-CE2 3.94Å; F352-Y359 HydrophobicContact CD1-CD1 4.47Å; F352-Y359 AromaticContact CE1-CD1 3.84Å; F352-Y359 HydrophobicContact CE1-CD1 3.84Å; F352-Y359 HydrophobicContact CE1-CG 4.24Å; F352-Y359 HydrophobicContact CZ-CD1 4.04Å; F352-Y359 HydrophobicContact CZ-CG 4.26Å
353A94.8Very high95.1Very high4 Ų434.3 Ų34.33%0.03319%0.189CC..  trans-70.5155.5168.600000110D355 G356 S358 Y360 V396A353-D355 PolarHBondContact O-N 2.92Å; A353-G356 PolarHBondContact O-N 2.94Å; A353-S358 WeakPolarHBondContact CB-O 3.29Å; A353-S358 WeakPolarHBondContact CB-OG 3.21Å; A353-S358 PolarHBondContact N-O 2.8Å; A353-Y360 HydrophobicContact CB-CE2 4.21Å; A353-V396 HydrophobicContact CB-CG1 4.31Å
354P92.9Very high95.1Very high90 Ų9036 Ų3658%0.58420%0.199SC*.THydrogen-bonded Turntrans-59.6-14.3178.1-2735.9000115.2G356P354-G356 PolarHBondContact O-N 3.3Å
355D92.4Very high95.2Very high71 Ų7136 Ų3638%0.3820%0.201SC..THydrogen-bonded Turntrans-72.8-14.1173.659.643.3000113.6A353 N357 S358 R422A353-D355 PolarHBondContact O-N 2.92Å; D355-N357 PolarHBondContact O-N 2.83Å; D355-N357 VanDerWaalsContact O-N 3.13Å; D355-N357 PolarHBondContact O-ND2 3.08Å; D355-N357 VanDerWaalsContact O-ND2 3.14Å; D355-N357 PolarHBondContact OD1-N 3.41Å; D355-S358 PolarHBondContact OD1-N 3.4Å; D355-S358 PolarHBondContact OD1-OG 3.07Å; D355-S358 PolarHBondContact OD2-OG 3.27Å; D355-R422 IonicContact OD2-NH2 3.91Å
356G93.3Very high95.3Very high11 Ų1142.6 Ų42.611%0.11323%0.233CC..SBendtrans66.75.5179.800000115.2R303 A353 P354R303-G356 PolarHBondContact NH1-O 3.28Å; A353-G356 PolarHBondContact O-N 2.94Å; P354-G356 PolarHBondContact O-N 3.3Å
357N92.4Very high95.4Very high96 Ų9644 Ų4451%0.51325%0.247SC..SBendtrans-118.1-19.3-176.5-67.9-55.6000112.7R303 D355R303-N357 PolarHBondContact NH1-OD1 2.61Å; D355-N357 PolarHBondContact O-N 2.83Å; D355-N357 VanDerWaalsContact O-N 3.13Å; D355-N357 PolarHBondContact O-ND2 3.08Å; D355-N357 VanDerWaalsContact O-ND2 3.14Å; D355-N357 PolarHBondContact OD1-N 3.41Å
358S95.5Very high95.5Very high4 Ų446.3 Ų46.33%0.02826%0.258CS..EExtended strand (participates in β ladder)trans-124.2158.5174.671.60000111.1A353 D355 H374 V375A353-S358 WeakPolarHBondContact CB-O 3.29Å; A353-S358 WeakPolarHBondContact CB-OG 3.21Å; A353-S358 PolarHBondContact N-O 2.8Å; D355-S358 PolarHBondContact OD1-N 3.4Å; D355-S358 PolarHBondContact OD1-OG 3.07Å; D355-S358 PolarHBondContact OD2-OG 3.27Å; S358-H374 VanDerWaalsContact CB-NE2 3.27Å; S358-H374 WeakPolarHBondContact CB-NE2 3.29Å; S358-H374 PolarHBondContact OG-NE2 2.99Å; S358-V375 WeakPolarHBondContact CA-O 3.49Å; S358-V375 WeakPolarHBondContact CB-O 3.38Å
359Y97.4Very high95.7Very high0 Ų047 Ų470%026%0.256CS..EExtended strand (participates in β ladder)trans-146.4164.6-18060.7-86.8000111.4L318 I320 L334 P350 V351 F352 L361 H374 V375L318-Y359 HydrophobicContact CD1-CE2 3.73Å; I320-Y359 HydrophobicContact CD1-CD1 4.33Å; I320-Y359 HydrophobicContact CD1-CE1 3.95Å; L334-Y359 WeakPolarHBondContact CB-OH 3.38Å; P350-Y359 HydrophobicContact CB-CD2 3.67Å; P350-Y359 HydrophobicContact CB-CE2 4.16Å; P350-Y359 HydrophobicContact CB-CG 4.24Å; V351-Y359 WeakPolarHBondContact O-CA 3.34Å; F352-Y359 HydrophobicContact CD1-CD1 4.47Å; F352-Y359 AromaticContact CE1-CD1 3.84Å; F352-Y359 HydrophobicContact CE1-CD1 3.84Å; F352-Y359 HydrophobicContact CE1-CG 4.24Å; F352-Y359 HydrophobicContact CZ-CD1 4.04Å; F352-Y359 HydrophobicContact CZ-CG 4.26Å; Y359-L361 HydrophobicContact CD2-CB 4.31Å; Y359-L361 HydrophobicContact CE2-CB 4.25Å; Y359-H374 PolarHBondContact O-CD2 3.38Å; Y359-V375 HydrophobicContact CD1-CB 4.16Å; Y359-V375 HydrophobicContact CD2-CB 3.96Å; Y359-V375 HydrophobicContact CD2-CG2 4.06Å; Y359-V375 HydrophobicContact CE1-CB 3.78Å; Y359-V375 HydrophobicContact CE1-CG1 3.73Å; Y359-V375 HydrophobicContact CE2-CB 3.58Å; Y359-V375 HydrophobicContact CE2-CG1 4.01Å; Y359-V375 HydrophobicContact CE2-CG2 3.58Å; Y359-V375 HydrophobicContact CG-CB 4.25Å; Y359-V375 VanDerWaalsContact CZ-CB 3.49Å; Y359-V375 VanDerWaalsContact CZ-CG1 3.43Å; Y359-V375 PolarHBondContact N-O 3.05Å; Y359-V375 VanDerWaalsContact N-O 3.11Å; Y359-V375 PolarHBondContact O-N 3.31Å; Y359-V375 WeakPolarHBondContact OH-CG1 3.34Å
360Y97.8Very high95.9Very high2 Ų241.2 Ų41.21%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-112.3136.9175.3-63.2-91000108.9V351 A353 I372 H373 H374 I383 V396 V401 W420 R422V351-Y360 PolarHBondContact N-O 2.85Å; V351-Y360 PolarHBondContact O-N 3.36Å; A353-Y360 HydrophobicContact CB-CE2 4.21Å; Y360-I372 HydrophobicContact CD1-CG2 4Å; Y360-I372 HydrophobicContact CG-CG2 4.47Å; Y360-H373 VanDerWaalsContact CA-O 3.3Å; Y360-H373 WeakPolarHBondContact CA-O 3.37Å; Y360-H374 HydrophobicContact CD1-CB 3.94Å; Y360-H374 HydrophobicContact CE1-CB 3.62Å; Y360-H374 AromaticContact CE1-CD2 3.63Å; Y360-H374 AromaticContact CE1-CG 3.67Å; Y360-H374 AromaticContact CE2-CD2 3.99Å; Y360-H374 AromaticContact CZ-CD2 3.56Å; Y360-H374 AromaticContact CZ-CG 3.95Å; Y360-I383 HydrophobicContact CD1-CD1 3.9Å; Y360-I383 HydrophobicContact CE1-CD1 3.94Å; Y360-V396 HydrophobicContact CD2-CB 4.38Å; Y360-V396 HydrophobicContact CD2-CG1 3.7Å; Y360-V396 HydrophobicContact CD2-CG2 3.73Å; Y360-V396 HydrophobicContact CE2-CG1 3.54Å; Y360-V396 HydrophobicContact CE2-CG2 4.35Å; Y360-V396 HydrophobicContact CG-CG2 4.35Å; Y360-V401 HydrophobicContact CD1-CG2 3.88Å; Y360-V401 HydrophobicContact CD2-CG2 4.12Å; Y360-V401 HydrophobicContact CE1-CG2 3.59Å; Y360-V401 HydrophobicContact CE2-CG2 3.86Å; Y360-V401 HydrophobicContact CG-CG2 4.13Å; Y360-W420 HydrophobicContact CE1-CZ3 4.31Å; Y360-R422 PolarHBondContact OH-NE 3.38Å; Y360-R422 PolarHBondContact OH-NH2 3.14Å
361L97.9Very high95.9Very high0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-138.2134.1-178.3-174.468.2000109.4L318 L334 L336 P348 P350 Y359 M363 H373 V375L318-L361 HydrophobicContact CD1-CD2 4.33Å; L334-L361 HydrophobicContact CD2-CD2 3.88Å; L336-L361 HydrophobicContact CD1-CD2 4.04Å; P348-L361 HydrophobicContact CB-CD1 4.41Å; P348-L361 HydrophobicContact CG-CD1 4.11Å; P348-L361 VanDerWaalsContact O-CD1 3.3Å; P348-L361 WeakPolarHBondContact O-CD1 3.47Å; P350-L361 HydrophobicContact CB-CD1 4.45Å; Y359-L361 HydrophobicContact CD2-CB 4.31Å; Y359-L361 HydrophobicContact CE2-CB 4.25Å; L361-M363 HydrophobicContact CD2-SD 4.45Å; L361-H373 PolarHBondContact N-O 3.03Å; L361-H373 PolarHBondContact O-N 3.28Å; L361-V375 HydrophobicContact CB-CG2 4.48Å
362I98.1Very high95.9Very high15 Ų1539 Ų398%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-80126.1169.6-64.8173.4000107.7P348 K370 H371 I372 D390 I393P348-I362 HydrophobicContact CB-CB 4.38Å; P348-I362 HydrophobicContact CG-CB 4.36Å; P348-I362 WeakPolarHBondContact CG-O 3.23Å; I362-K370 HydrophobicContact CG2-CB 3.87Å; I362-H371 WeakPolarHBondContact CA-O 3.2Å; I362-I372 HydrophobicContact CG1-CG1 3.83Å; I362-D390 HydrophobicContact CD1-CB 4.15Å; I362-D390 HydrophobicContact CG1-CB 4.24Å; I362-D390 HydrophobicContact CG2-CB 4.5Å; I362-I393 HydrophobicContact CD1-CG1 4.05Å; I362-I393 HydrophobicContact CG1-CD1 3.99Å; I362-I393 HydrophobicContact CG1-CG1 3.95Å
363M96.9Very high96Very high32 Ų3238.2 Ų38.216%0.15821%0.212CC..EExtended strand (participates in β ladder)trans-153.6160.3174.461-178.1-162.600110.8L336 L361 D365 H371 H373 A380L336-M363 HydrophobicContact CD1-SD 4.48Å; L336-M363 HydrophobicContact CD2-SD 3.57Å; L336-M363 VanDerWaalsContact CD2-SD 3.57Å; L361-M363 HydrophobicContact CD2-SD 4.45Å; M363-D365 PolarHBondContact O-N 3.05Å; M363-H371 PolarHBondContact N-O 2.94Å; M363-H371 PolarHBondContact O-N 2.72Å; M363-H371 VanDerWaalsContact O-O 3.11Å; M363-H373 HydrophobicContact CE-CB 3.76Å; M363-H373 WeakPolarHBondContact CE-CD2 3.14Å; M363-H373 HydrophobicContact CG-CB 4.4Å; M363-H373 WeakPolarHBondContact CG-ND1 3.17Å; M363-H373 PolarHBondContact O-CE1 3.32Å; M363-A380 HydrophobicContact CE-CB 3.29Å; M363-A380 HydrophobicContact SD-CB 4.48Å
364S96.6Very high96Very high46 Ų4639.7 Ų39.732%0.32222%0.218SC..EExtended strand (participates in β ladder)trans-68.5130.6-178.6-51.70000110.8Y369 K370 D571S364-Y369 CarbonylContact C-O 3.6Å; S364-Y369 WeakPolarHBondContact CA-O 3.25Å; S364-K370 PolarHBondContact OG-NZ 3.3Å; S364-K370 VanDerWaalsContact OG-NZ 3.12Å; S364-D571 VanDerWaalsContact CB-OD2 3.27Å; S364-D571 WeakPolarHBondContact CB-OD2 3.38Å; S364-D571 PolarHBondContact OG-OD2 2.77Å
365D94.6Very high96.2Very high38 Ų3835.4 Ų35.420%0.20319%0.19CC..  trans-83.3-175.3174.877.1-4.9000111.7M363 A367 M368 Y369 H371M363-D365 PolarHBondContact O-N 3.05Å; D365-A367 PolarHBondContact O-N 2.89Å; D365-A367 VanDerWaalsContact OD1-C 3.22Å; D365-A367 VanDerWaalsContact OD1-CA 3.29Å; D365-A367 WeakPolarHBondContact OD1-CA 3.27Å; D365-A367 WeakPolarHBondContact OD1-CB 3.49Å; D365-A367 PolarHBondContact OD1-N 3.07Å; D365-M368 PolarHBondContact O-N 3.44Å; D365-M368 PolarHBondContact OD1-N 2.87Å; D365-Y369 PolarHBondContact N-O 3.38Å; D365-Y369 PolarHBondContact OD1-N 3.46Å; D365-H371 IonicContact OD2-CD2 3.71Å; D365-H371 PolarHBondContact OD2-CD2 2.7Å
366Q93.7Very high96.3Very high204 Ų20435.8 Ų35.895%0.95320%0.195SC*.THydrogen-bonded Turntrans-65.7-25178-65.6-177.8-11.100113.3
367A95.5Very high96.3Very high61 Ų6137.7 Ų37.750%0.50422%0.215SC..THydrogen-bonded Turntrans-85.55.2175.300000112.4D365 Y369D365-A367 PolarHBondContact O-N 2.89Å; D365-A367 VanDerWaalsContact OD1-C 3.22Å; D365-A367 VanDerWaalsContact OD1-CA 3.29Å; D365-A367 WeakPolarHBondContact OD1-CA 3.27Å; D365-A367 WeakPolarHBondContact OD1-CB 3.49Å; D365-A367 PolarHBondContact OD1-N 3.07Å; A367-Y369 VanDerWaalsContact C-N 3.29Å; A367-Y369 HydrophobicContact CB-CD2 4.18Å; A367-Y369 WeakPolarHBondContact O-CD2 3.38Å; A367-Y369 PolarHBondContact O-N 2.72Å
368M96.5Very high96.3Very high58 Ų5834.1 Ų34.129%0.28620%0.2SC..SBendtrans65.626.4-179.2-67.9-172.3-7300113.9D365 G570 D571 Q572D365-M368 PolarHBondContact O-N 3.44Å; D365-M368 PolarHBondContact OD1-N 2.87Å; M368-G570 CarbonylContact O-C 3.55Å; M368-G570 VanDerWaalsContact O-CA 3.25Å; M368-G570 WeakPolarHBondContact O-CA 3.46Å; M368-D571 HydrophobicContact CB-CB 4.04Å; M368-D571 PolarHBondContact O-N 2.83Å; M368-Q572 HydrophobicContact CE-CB 3.65Å; M368-Q572 HydrophobicContact CE-CG 3.83Å; M368-Q572 HydrophobicContact SD-CB 4.35Å
369Y97.8Very high96.3Very high51 Ų5141.6 Ų41.620%0.223%0.232CC..  trans-104.1140.6169.9-74.7-83.7000110.8S364 D365 A367 H371 E387 W388 E389 Q569S364-Y369 CarbonylContact C-O 3.6Å; S364-Y369 WeakPolarHBondContact CA-O 3.25Å; D365-Y369 PolarHBondContact N-O 3.38Å; D365-Y369 PolarHBondContact OD1-N 3.46Å; A367-Y369 VanDerWaalsContact C-N 3.29Å; A367-Y369 HydrophobicContact CB-CD2 4.18Å; A367-Y369 WeakPolarHBondContact O-CD2 3.38Å; A367-Y369 PolarHBondContact O-N 2.72Å; Y369-H371 PolarHBondContact O-N 2.74Å; Y369-E387 HydrophobicContact CE2-CB 4.19Å; Y369-E387 HydrophobicContact CE2-CG 4.15Å; Y369-W388 WeakPolarHBondContact CD1-O 3.49Å; Y369-E389 HydrophobicContact CD1-CG 4.25Å; Y369-Q569 WeakPolarHBondContact CE1-O 3.37Å
370K98Very high96.3Very high6 Ų643.3 Ų43.33%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-79.2114.2-179.3-61.7-168.9-168.8-57.60109.7G343 I362 S364 E389 D390 D571G343-K370 WeakPolarHBondContact O-CE 3.37Å; G343-K370 PolarHBondContact O-NZ 3.17Å; I362-K370 HydrophobicContact CG2-CB 3.87Å; S364-K370 PolarHBondContact OG-NZ 3.3Å; S364-K370 VanDerWaalsContact OG-NZ 3.12Å; K370-E389 HydrophobicContact CB-CB 4.39Å; K370-E389 HydrophobicContact CB-CG 4.1Å; K370-E389 WeakPolarHBondContact O-CA 3.26Å; K370-D390 PolarHBondContact O-N 3.23Å; K370-D571 WeakPolarHBondContact CE-OD1 3.23Å; K370-D571 VanDerWaalsContact NZ-CG 3.34Å; K370-D571 IonicContact NZ-OD1 2.66Å; K370-D571 PolarHBondContact NZ-OD1 2.91Å; K370-D571 IonicContact NZ-OD2 2.68Å; K370-D571 PolarHBondContact NZ-OD2 2.88Å
371H97.9Very high96.1Very high0 Ų046.6 Ų46.60%027%0.27CS..EExtended strand (participates in β ladder)trans-130.2156.7-177.8-76.4-54.5000112.8I362 M363 D365 Y369 H373 T384 F385 G386 W388 D390I362-H371 WeakPolarHBondContact CA-O 3.2Å; M363-H371 PolarHBondContact N-O 2.94Å; M363-H371 PolarHBondContact O-N 2.72Å; M363-H371 VanDerWaalsContact O-O 3.11Å; D365-H371 IonicContact OD2-CD2 3.71Å; D365-H371 PolarHBondContact OD2-CD2 2.7Å; Y369-H371 PolarHBondContact O-N 2.74Å; H371-H373 PolarHBondContact O-CE1 2.92Å; H371-H373 PolarHBondContact O-ND1 2.83Å; H371-T384 WeakPolarHBondContact CB-O 3.46Å; H371-T384 WeakPolarHBondContact CB-OG1 3.43Å; H371-F385 WeakPolarHBondContact NE2-CA 3.15Å; H371-G386 PolarHBondContact NE2-N 2.72Å; H371-G386 PolarHBondContact NE2-O 3.01Å; H371-W388 AromaticContact CE1-CD2 3.79Å; H371-W388 AromaticContact CE1-CE2 3.96Å; H371-W388 AromaticContact CE1-CE3 3.61Å; H371-W388 AromaticContact CE1-CH2 3.88Å; H371-W388 AromaticContact CE1-CZ3 3.65Å; H371-W388 PolarHBondContact CE1-O 3.36Å; H371-W388 AromaticContact ND1-CH2 3.93Å; H371-W388 AromaticContact ND1-CZ3 3.71Å; H371-W388 PolarHBondContact NE2-O 2.75Å; H371-D390 VanDerWaalsContact CA-OD2 3.27Å; H371-D390 WeakPolarHBondContact CA-OD2 3.1Å; H371-D390 IonicContact CG-OD2 2.74Å; H371-D390 IonicContact ND1-OD2 2.91Å; H371-D390 PolarHBondContact ND1-OD2 2.97Å; H371-D390 VanDerWaalsContact ND1-OD2 3.08Å
372I97.9Very high96Very high0 Ų050.5 Ų50.50%030%0.295CS..EExtended strand (participates in β ladder)trans-74.2130176.2-57.4162000109.2Y360 I362 I383 T384 D390 I393 V401 Y403Y360-I372 HydrophobicContact CD1-CG2 4Å; Y360-I372 HydrophobicContact CG-CG2 4.47Å; I362-I372 HydrophobicContact CG1-CG1 3.83Å; I372-I383 HydrophobicContact CB-CD1 4.01Å; I372-I383 HydrophobicContact CB-CG1 3.75Å; I372-I383 HydrophobicContact CG2-CD1 3.54Å; I372-I383 HydrophobicContact CG2-CG1 3.67Å; I372-I383 VanDerWaalsContact O-CG1 3.31Å; I372-I383 WeakPolarHBondContact O-CG1 3.47Å; I372-I383 PolarHBondContact O-N 3.37Å; I372-T384 PolarHBondContact N-OG1 3.01Å; I372-D390 HydrophobicContact CD1-CB 4.17Å; I372-D390 HydrophobicContact CG1-CB 3.79Å; I372-D390 PolarHBondContact N-OD2 2.87Å; I372-D390 VanDerWaalsContact N-OD2 3.09Å; I372-I393 HydrophobicContact CD1-CG1 4.07Å; I372-I393 HydrophobicContact CG1-CD1 4.32Å; I372-I393 HydrophobicContact CG1-CG1 4Å; I372-I393 HydrophobicContact CG2-CD1 4.04Å; I372-I393 HydrophobicContact CG2-CG1 4.42Å; I372-V401 HydrophobicContact CD1-CG1 4.41Å; I372-Y403 VanDerWaalsContact CD1-CB 3.44Å; I372-Y403 HydrophobicContact CD1-CD1 3.71Å; I372-Y403 HydrophobicContact CD1-CD2 3.72Å; I372-Y403 HydrophobicContact CD1-CE1 4.35Å; I372-Y403 HydrophobicContact CD1-CE2 4.35Å; I372-Y403 HydrophobicContact CD1-CG 3.35Å
373H97.1Very high95.8Very high13 Ų1351 Ų516%0.0630%0.297CS..EExtended strand (participates in β ladder)trans-118.3135.7172.7-64.471000109.6Y360 L361 M363 H371 A380 S381Y360-H373 VanDerWaalsContact CA-O 3.3Å; Y360-H373 WeakPolarHBondContact CA-O 3.37Å; L361-H373 PolarHBondContact N-O 3.03Å; L361-H373 PolarHBondContact O-N 3.28Å; M363-H373 HydrophobicContact CE-CB 3.76Å; M363-H373 WeakPolarHBondContact CE-CD2 3.14Å; M363-H373 HydrophobicContact CG-CB 4.4Å; M363-H373 WeakPolarHBondContact CG-ND1 3.17Å; M363-H373 PolarHBondContact O-CE1 3.32Å; H371-H373 PolarHBondContact O-CE1 2.92Å; H371-H373 PolarHBondContact O-ND1 2.83Å; H373-A380 HydrophobicContact CB-CB 4.16Å; H373-S381 CarbonylContact C-O 3.58Å; H373-S381 VanDerWaalsContact CA-O 3.26Å; H373-S381 WeakPolarHBondContact CA-O 3.14Å
374H96.2Very high95.7Very high35 Ų3549.8 Ų49.816%0.16229%0.292CS..EExtended strand (participates in β ladder)trans-85124.2167.9-174.8-150.3000108.5S358 Y359 Y360 A380 S381 I383S358-H374 VanDerWaalsContact CB-NE2 3.27Å; S358-H374 WeakPolarHBondContact CB-NE2 3.29Å; S358-H374 PolarHBondContact OG-NE2 2.99Å; Y359-H374 PolarHBondContact O-CD2 3.38Å; Y360-H374 HydrophobicContact CD1-CB 3.94Å; Y360-H374 HydrophobicContact CE1-CB 3.62Å; Y360-H374 AromaticContact CE1-CD2 3.63Å; Y360-H374 AromaticContact CE1-CG 3.67Å; Y360-H374 AromaticContact CE2-CD2 3.99Å; Y360-H374 AromaticContact CZ-CD2 3.56Å; Y360-H374 AromaticContact CZ-CG 3.95Å; H374-A380 WeakPolarHBondContact O-CA 3.35Å; H374-S381 PolarHBondContact N-O 2.61Å; H374-S381 PolarHBondContact O-N 3.31Å; H374-I383 HydrophobicContact CB-CG2 3.9Å
375V96.8Very high95.6Very high0 Ų055.1 Ų55.10%031%0.31CS..EExtended strand (participates in β ladder)trans-112127.7-177.7-168.80000110L334 S358 Y359 L361 K379 A380L334-V375 HydrophobicContact CD2-CG1 4.36Å; L334-V375 HydrophobicContact CD2-CG2 4.15Å; S358-V375 WeakPolarHBondContact CA-O 3.49Å; S358-V375 WeakPolarHBondContact CB-O 3.38Å; Y359-V375 HydrophobicContact CD1-CB 4.16Å; Y359-V375 HydrophobicContact CD2-CB 3.96Å; Y359-V375 HydrophobicContact CD2-CG2 4.06Å; Y359-V375 HydrophobicContact CE1-CB 3.78Å; Y359-V375 HydrophobicContact CE1-CG1 3.73Å; Y359-V375 HydrophobicContact CE2-CB 3.58Å; Y359-V375 HydrophobicContact CE2-CG1 4.01Å; Y359-V375 HydrophobicContact CE2-CG2 3.58Å; Y359-V375 HydrophobicContact CG-CB 4.25Å; Y359-V375 VanDerWaalsContact CZ-CB 3.49Å; Y359-V375 VanDerWaalsContact CZ-CG1 3.43Å; Y359-V375 PolarHBondContact N-O 3.05Å; Y359-V375 VanDerWaalsContact N-O 3.11Å; Y359-V375 PolarHBondContact O-N 3.31Å; Y359-V375 WeakPolarHBondContact OH-CG1 3.34Å; L361-V375 HydrophobicContact CB-CG2 4.48Å; V375-K379 WeakPolarHBondContact CA-O 3.32Å; V375-A380 HydrophobicContact CG2-CB 3.89Å
376V95.3Very high95.6Very high80 Ų8054.6 Ų54.649%0.48531%0.313SS..EExtended strand (participates in β ladder)trans-136.6119.1178.5-174.60000108.5G378 K379V376-G378 VanDerWaalsContact C-N 3.3Å; V376-G378 PolarHBondContact O-N 2.91Å; V376-K379 PolarHBondContact N-O 3.14Å; V376-K379 PolarHBondContact O-N 2.77Å; V376-K379 VanDerWaalsContact O-N 3.13Å
377G93.1Very high95.7Very high51 Ų5150.3 Ų50.353%0.52629%0.293SS..THydrogen-bonded Turntrans60.43917700000113.1E332 K379E332-G377 VanDerWaalsContact CD-CA 3.45Å; E332-G377 WeakPolarHBondContact OE1-CA 3.38Å; E332-G377 PolarHBondContact OE1-N 2.88Å; E332-G377 WeakPolarHBondContact OE2-CA 3.31Å; G377-K379 PolarHBondContact O-N 3.31Å
378G92.6Very high95.8Very high20 Ų2048.4 Ų48.421%0.20627%0.273CS..THydrogen-bonded Turntrans75.14.4-178.800000114.5E332 H333 L334 V376E332-G378 PolarHBondContact OE1-N 2.93Å; H333-G378 WeakPolarHBondContact O-CA 3.5Å; L334-G378 WeakPolarHBondContact CD1-O 3.2Å; V376-G378 VanDerWaalsContact C-N 3.3Å; V376-G378 PolarHBondContact O-N 2.91Å
379K95.4Very high95.9Very high161 Ų16145.6 Ų45.670%0.726%0.259SS*.EExtended strand (participates in β ladder)trans-107.4120179.9-62.2-177.3-176.9177.10110.7V375 V376 G377V375-K379 WeakPolarHBondContact CA-O 3.32Å; V376-K379 PolarHBondContact N-O 3.14Å; V376-K379 PolarHBondContact O-N 2.77Å; V376-K379 VanDerWaalsContact O-N 3.13Å; G377-K379 PolarHBondContact O-N 3.31Å
380A96.3Very high95.9Very high37 Ų3743.2 Ų43.231%0.30625%0.25SC..EExtended strand (participates in β ladder)trans-94.4135.1-179.800000112L334 M363 H373 H374 V375L334-A380 HydrophobicContact CD1-CB 4.47Å; M363-A380 HydrophobicContact CE-CB 3.29Å; M363-A380 HydrophobicContact SD-CB 4.48Å; H373-A380 HydrophobicContact CB-CB 4.16Å; H374-A380 WeakPolarHBondContact O-CA 3.35Å; V375-A380 HydrophobicContact CG2-CB 3.89Å
381S95Very high95.9Very high70 Ų7044.2 Ų44.249%0.4926%0.256SS..EExtended strand (participates in β ladder)trans-126.5127174.5-56.20000109.7H373 H374H373-S381 CarbonylContact C-O 3.58Å; H373-S381 VanDerWaalsContact CA-O 3.26Å; H373-S381 WeakPolarHBondContact CA-O 3.14Å; H374-S381 PolarHBondContact N-O 2.61Å; H374-S381 PolarHBondContact O-N 3.31Å
382P94.1Very high95.8Very high82 Ų8249.1 Ų49.153%0.53228%0.278SS..EExtended strand (participates in β ladder)trans-65.4139.4-179.727.4-33.8000110.8
383I94.1Very high95.8Very high25 Ų2550 Ų5013%0.12828%0.283CS..SBendtrans-110.4-14.9170.764.9162.1000112.7Y360 I372 H374 V401 W420Y360-I383 HydrophobicContact CD1-CD1 3.9Å; Y360-I383 HydrophobicContact CE1-CD1 3.94Å; I372-I383 HydrophobicContact CB-CD1 4.01Å; I372-I383 HydrophobicContact CB-CG1 3.75Å; I372-I383 HydrophobicContact CG2-CD1 3.54Å; I372-I383 HydrophobicContact CG2-CG1 3.67Å; I372-I383 VanDerWaalsContact O-CG1 3.31Å; I372-I383 WeakPolarHBondContact O-CG1 3.47Å; I372-I383 PolarHBondContact O-N 3.37Å; H374-I383 HydrophobicContact CB-CG2 3.9Å; I383-V401 HydrophobicContact CD1-CB 4.46Å; I383-V401 HydrophobicContact CD1-CG1 4.5Å; I383-V401 HydrophobicContact CD1-CG2 4.29Å; I383-W420 HydrophobicContact CB-CZ2 4.24Å; I383-W420 HydrophobicContact CD1-CD2 4.02Å; I383-W420 HydrophobicContact CD1-CE3 4.02Å; I383-W420 HydrophobicContact CD1-CG 4.36Å; I383-W420 HydrophobicContact CD1-CZ3 4.41Å; I383-W420 HydrophobicContact CG2-CH2 4.21Å; I383-W420 HydrophobicContact CG2-CZ2 4.05Å
384T95Very high95.8Very high7 Ų751 Ų514%0.04329%0.289CS..  trans-130.4155.7175.149.30000110H371 I372 W388 D390 Y403H371-T384 WeakPolarHBondContact CB-O 3.46Å; H371-T384 WeakPolarHBondContact CB-OG1 3.43Å; I372-T384 PolarHBondContact N-OG1 3.01Å; T384-W388 HydrophobicContact CG2-CH2 4.02Å; T384-D390 VanDerWaalsContact CB-OD2 3.27Å; T384-D390 WeakPolarHBondContact CB-OD2 3.37Å; T384-D390 PolarHBondContact OG1-OD2 3.43Å; T384-Y403 HydrophobicContact CG2-CE1 4.39Å; T384-Y403 HydrophobicContact CG2-CE2 4.17Å
385F94.9Very high95.7Very high158 Ų15852.4 Ų52.469%0.69329%0.294SS*.  trans-163.1150.3-179.452.7-90.8000111.1H371 W388H371-F385 WeakPolarHBondContact NE2-CA 3.15Å; F385-W388 WeakPolarHBondContact O-CZ2 3.26Å
386G95.4Very high95.6Very high27 Ų2753.1 Ų53.128%0.27830%0.298SS..SBendtrans147.9-178.5172.500000113.3H371 W388H371-G386 PolarHBondContact NE2-N 2.72Å; H371-G386 PolarHBondContact NE2-O 3.01Å; G386-W388 PolarHBondContact O-N 3.42Å
387E96.1Very high95.3Very high115 Ų11550.9 Ų50.954%0.53729%0.287SS..SBendtrans-85.156.1177-62.8174.8156.800111Y369 R410Y369-E387 HydrophobicContact CE2-CB 4.19Å; Y369-E387 HydrophobicContact CE2-CG 4.15Å; E387-R410 IonicContact OE2-CZ 3.08Å; E387-R410 IonicContact OE2-NH1 2.8Å; E387-R410 PolarHBondContact OE2-NH1 3.29Å; E387-R410 IonicContact OE2-NH2 2.85Å
388W97.1Very high94.9Very high20 Ų2055.7 Ų55.78%0.07629%0.293CS..SBendtrans-159.9170.1-178.853.1-96.9000108.9Y369 H371 T384 F385 G386 D390 S405 N406 E407Y369-W388 WeakPolarHBondContact CD1-O 3.49Å; H371-W388 AromaticContact CE1-CD2 3.79Å; H371-W388 AromaticContact CE1-CE2 3.96Å; H371-W388 AromaticContact CE1-CE3 3.61Å; H371-W388 AromaticContact CE1-CH2 3.88Å; H371-W388 AromaticContact CE1-CZ3 3.65Å; H371-W388 PolarHBondContact CE1-O 3.36Å; H371-W388 AromaticContact ND1-CH2 3.93Å; H371-W388 AromaticContact ND1-CZ3 3.71Å; H371-W388 PolarHBondContact NE2-O 2.75Å; T384-W388 HydrophobicContact CG2-CH2 4.02Å; F385-W388 WeakPolarHBondContact O-CZ2 3.26Å; G386-W388 PolarHBondContact O-N 3.42Å; W388-D390 VanDerWaalsContact CZ3-OD1 3.28Å; W388-D390 WeakPolarHBondContact CZ3-OD1 3.21Å; W388-S405 WeakPolarHBondContact CZ3-OG 3.4Å; W388-N406 WeakPolarHBondContact CB-OD1 3.38Å; W388-E407 HydrophobicContact CB-CB 4.39Å; W388-E407 HydrophobicContact CD2-CB 3.53Å; W388-E407 HydrophobicContact CD2-CG 3.95Å; W388-E407 HydrophobicContact CE3-CB 3.86Å; W388-E407 HydrophobicContact CG-CB 3.78Å; W388-E407 HydrophobicContact CG-CG 4.07Å; W388-E407 HydrophobicContact CZ2-CB 4.26Å; W388-E407 HydrophobicContact CZ2-CG 4.14Å; W388-E407 HydrophobicContact CZ3-CB 4.34Å
389E98.1Very high94.6Very high0 Ų058.6 Ų58.60%030%0.304CS..  trans-119.9140.3-178.1-69.8-176.8-161.200113R344 Y369 K370 S405 N406 Y568 Q569 G570R344-E389 IonicContact CZ-OE2 2.91Å; R344-E389 IonicContact NE-OE2 3.87Å; R344-E389 IonicContact NH2-OE2 2.91Å; R344-E389 PolarHBondContact NH2-OE2 2.6Å; Y369-E389 HydrophobicContact CD1-CG 4.25Å; K370-E389 HydrophobicContact CB-CB 4.39Å; K370-E389 HydrophobicContact CB-CG 4.1Å; K370-E389 WeakPolarHBondContact O-CA 3.26Å; E389-S405 WeakPolarHBondContact O-CA 3.44Å; E389-S405 PolarHBondContact O-OG 3.36Å; E389-N406 PolarHBondContact N-OD1 3.41Å; E389-N406 PolarHBondContact O-N 2.97Å; E389-N406 PolarHBondContact O-OD1 2.94Å; E389-Y568 WeakPolarHBondContact OE1-CA 3.35Å; E389-Y568 WeakPolarHBondContact OE2-CA 3.2Å; E389-Q569 PolarHBondContact OE1-N 3.46Å; E389-G570 WeakPolarHBondContact OE1-CA 2.91Å; E389-G570 PolarHBondContact OE1-N 2.9Å
390D97.9Very high94.3Very high0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-74.6133.3155.4-66.7-59000109.7I362 K370 H371 I372 T384 W388 Y403I362-D390 HydrophobicContact CD1-CB 4.15Å; I362-D390 HydrophobicContact CG1-CB 4.24Å; I362-D390 HydrophobicContact CG2-CB 4.5Å; K370-D390 PolarHBondContact O-N 3.23Å; H371-D390 VanDerWaalsContact CA-OD2 3.27Å; H371-D390 WeakPolarHBondContact CA-OD2 3.1Å; H371-D390 IonicContact CG-OD2 2.74Å; H371-D390 IonicContact ND1-OD2 2.91Å; H371-D390 PolarHBondContact ND1-OD2 2.97Å; H371-D390 VanDerWaalsContact ND1-OD2 3.08Å; I372-D390 HydrophobicContact CD1-CB 4.17Å; I372-D390 HydrophobicContact CG1-CB 3.79Å; I372-D390 PolarHBondContact N-OD2 2.87Å; I372-D390 VanDerWaalsContact N-OD2 3.09Å; T384-D390 VanDerWaalsContact CB-OD2 3.27Å; T384-D390 WeakPolarHBondContact CB-OD2 3.37Å; T384-D390 PolarHBondContact OG1-OD2 3.43Å; W388-D390 VanDerWaalsContact CZ3-OD1 3.28Å; W388-D390 WeakPolarHBondContact CZ3-OD1 3.21Å; D390-Y403 WeakPolarHBondContact OD1-CD2 3.47Å; D390-Y403 WeakPolarHBondContact OD1-CE2 3.46Å
391I97.3Very high94.3Very high28 Ų2850.9 Ų50.914%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-108.3-40.4-168.2-63.7171.9000110.9L404 N406 R415 Y568I391-L404 HydrophobicContact CB-CB 4.4Å; I391-L404 HydrophobicContact CB-CD2 4.46Å; I391-L404 WeakPolarHBondContact CB-O 3.39Å; I391-L404 HydrophobicContact CG2-CD2 4.13Å; I391-L404 PolarHBondContact N-O 3.44Å; I391-N406 HydrophobicContact CD1-CB 4.1Å; I391-R415 VanDerWaalsContact CD1-NE 3.34Å; I391-Y568 HydrophobicContact CD1-CD1 3.89Å; I391-Y568 HydrophobicContact CD1-CE1 4.13Å; I391-Y568 HydrophobicContact CG1-CD1 4.02Å; I391-Y568 HydrophobicContact CG1-CE1 4.17Å; I391-Y568 HydrophobicContact CG2-CE1 4.09Å
392E97.1Very high94.3Very high102 Ų10248.3 Ų48.348%0.47725%0.245SC..EExtended strand (participates in β ladder)trans-156.9138.4-176.4-172.4-176.7171.500110.3L394 Y403 L404E392-L394 HydrophobicContact CB-CD2 4.42Å; E392-L394 HydrophobicContact CG-CD2 3.99Å; E392-Y403 CarbonylContact O-C 3.58Å; E392-Y403 WeakPolarHBondContact O-CA 3.33Å; E392-Y403 WeakPolarHBondContact O-CB 3.46Å; E392-L404 HydrophobicContact CB-CB 4.13Å; E392-L404 PolarHBondContact N-O 3.36Å; E392-L404 PolarHBondContact O-N 2.8Å
393I97.5Very high94.4Very high18 Ų1844.5 Ų44.59%0.09222%0.22CC..EExtended strand (participates in β ladder)trans-91.2111.7168.1-61.4162.7000107.3V351 I362 I372 V396 V401V351-I393 HydrophobicContact CB-CB 4.38Å; V351-I393 HydrophobicContact CB-CG2 3.89Å; V351-I393 HydrophobicContact CG1-CG2 4.05Å; V351-I393 HydrophobicContact CG2-CB 3.8Å; V351-I393 HydrophobicContact CG2-CD1 4.28Å; V351-I393 HydrophobicContact CG2-CG2 3.8Å; I362-I393 HydrophobicContact CD1-CG1 4.05Å; I362-I393 HydrophobicContact CG1-CD1 3.99Å; I362-I393 HydrophobicContact CG1-CG1 3.95Å; I372-I393 HydrophobicContact CD1-CG1 4.07Å; I372-I393 HydrophobicContact CG1-CD1 4.32Å; I372-I393 HydrophobicContact CG1-CG1 4Å; I372-I393 HydrophobicContact CG2-CD1 4.04Å; I372-I393 HydrophobicContact CG2-CG1 4.42Å; I393-V396 HydrophobicContact CG2-CG2 3.78Å; I393-V401 HydrophobicContact CG2-CG1 4.14Å
394L96.1Very high94.6Very high36 Ų3643.7 Ų43.719%0.18822%0.216CC..EExtended strand (participates in β ladder)trans-84.5-37.8-172.3-60.4172.2000112.5E392 Y402 V417 I442 F444E392-L394 HydrophobicContact CB-CD2 4.42Å; E392-L394 HydrophobicContact CG-CD2 3.99Å; L394-Y402 PolarHBondContact N-O 2.97Å; L394-V417 HydrophobicContact CD1-CB 4.35Å; L394-V417 HydrophobicContact CD1-CG1 3.65Å; L394-V417 HydrophobicContact CD1-CG2 3.75Å; L394-I442 HydrophobicContact CD1-CB 4.34Å; L394-F444 HydrophobicContact CB-CD2 4.22Å; L394-F444 HydrophobicContact CB-CE2 3.97Å; L394-F444 HydrophobicContact CD1-CE2 4.42Å
395K94.5Very high94.7Very high63 Ų6343.4 Ų43.427%0.27421%0.214SC..EExtended strand (participates in β ladder)trans-161.1138.8-178.8-168.470169.5-179.70111.1Y402 F444 H446 A448K395-Y402 HydrophobicContact CB-CD2 4.01Å; K395-Y402 HydrophobicContact CG-CD2 4.48Å; K395-Y402 PolarHBondContact N-O 2.74Å; K395-Y402 PolarHBondContact O-N 2.85Å; K395-F444 HydrophobicContact CB-CD2 3.85Å; K395-F444 HydrophobicContact CB-CE2 4.12Å; K395-F444 HydrophobicContact CB-CG 4.38Å; K395-H446 WeakPolarHBondContact CE-O 3.34Å; K395-H446 PolarHBondContact NZ-O 3.36Å; K395-A448 HydrophobicContact CG-CB 4.07Å
396V94.3Very high94.8Very high15 Ų1536 Ų369%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-116.3133.3168.6-179.20000108.9V351 A353 Y360 I393 V401V351-V396 HydrophobicContact CB-CG2 4.1Å; V351-V396 HydrophobicContact CG1-CB 4.07Å; V351-V396 HydrophobicContact CG1-CG2 3.49Å; V351-V396 VanDerWaalsContact CG1-CG2 3.49Å; A353-V396 HydrophobicContact CB-CG1 4.31Å; Y360-V396 HydrophobicContact CD2-CB 4.38Å; Y360-V396 HydrophobicContact CD2-CG1 3.7Å; Y360-V396 HydrophobicContact CD2-CG2 3.73Å; Y360-V396 HydrophobicContact CE2-CG1 3.54Å; Y360-V396 HydrophobicContact CE2-CG2 4.35Å; Y360-V396 HydrophobicContact CG-CG2 4.35Å; I393-V396 HydrophobicContact CG2-CG2 3.78Å; V396-V401 HydrophobicContact CG2-CG1 4.39Å; V396-V401 HydrophobicContact CG2-CG2 4.37Å
397S89.6Confident94.9Very high34 Ų3436.1 Ų36.124%0.23818%0.175CC..  trans-121.4-177.9170.4680000108.9D399 N400S397-D399 PolarHBondContact O-N 2.72Å; S397-N400 PolarHBondContact N-O 3.15Å; S397-N400 WeakPolarHBondContact OG-CB 3.42Å; S397-N400 PolarHBondContact OG-N 3.01Å; S397-N400 VanDerWaalsContact OG-N 3.12Å; S397-N400 PolarHBondContact OG-ND2 3.04Å; S397-N400 PolarHBondContact OG-O 2.88Å
398K85.8Confident94.8Very high151 Ų15133.6 Ų33.666%0.65716%0.163SC*.SBendtrans-54.7-41-179.7-172.7-178.8177.6-178.50112.9
399D85.3Confident94.5Very high81 Ų8138 Ų3843%0.43319%0.188SC..SBendtrans-117.5-9.8-171.3-56.9-54.7000113.6S397 T421 R422S397-D399 PolarHBondContact O-N 2.72Å; D399-T421 WeakPolarHBondContact O-CA 3.46Å; D399-T421 WeakPolarHBondContact O-CB 3.37Å; D399-R422 PolarHBondContact O-N 2.76Å; D399-R422 VanDerWaalsContact O-N 3.08Å
400N89.9Confident94.2Very high37 Ų3745.6 Ų45.620%0.19822%0.217CC..EExtended strand (participates in β ladder)trans-131.2141.3-169-43.8-79.8000112.9S397 Y402 H419 W420 T421S397-N400 PolarHBondContact N-O 3.15Å; S397-N400 WeakPolarHBondContact OG-CB 3.42Å; S397-N400 PolarHBondContact OG-N 3.01Å; S397-N400 VanDerWaalsContact OG-N 3.12Å; S397-N400 PolarHBondContact OG-ND2 3.04Å; S397-N400 PolarHBondContact OG-O 2.88Å; N400-Y402 HydrophobicContact CB-CD2 4.4Å; N400-Y402 HydrophobicContact CB-CE2 3.74Å; N400-H419 WeakPolarHBondContact CB-NE2 3.42Å; N400-H419 VanDerWaalsContact CG-NE2 3.29Å; N400-H419 PolarHBondContact OD1-CE1 2.97Å; N400-H419 PolarHBondContact OD1-NE2 2.99Å; N400-W420 CarbonylContact C-O 3.51Å; N400-W420 VanDerWaalsContact CA-O 3.3Å; N400-W420 WeakPolarHBondContact CA-O 3.22Å; N400-T421 WeakPolarHBondContact OD1-CG2 3.31Å
401V94.7Very high94Very high0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-117.6122.8166.3-178.30000108.1Y360 I372 I383 I393 V396 Y403 H419 W420Y360-V401 HydrophobicContact CD1-CG2 3.88Å; Y360-V401 HydrophobicContact CD2-CG2 4.12Å; Y360-V401 HydrophobicContact CE1-CG2 3.59Å; Y360-V401 HydrophobicContact CE2-CG2 3.86Å; Y360-V401 HydrophobicContact CG-CG2 4.13Å; I372-V401 HydrophobicContact CD1-CG1 4.41Å; I383-V401 HydrophobicContact CD1-CB 4.46Å; I383-V401 HydrophobicContact CD1-CG1 4.5Å; I383-V401 HydrophobicContact CD1-CG2 4.29Å; I393-V401 HydrophobicContact CG2-CG1 4.14Å; V396-V401 HydrophobicContact CG2-CG1 4.39Å; V396-V401 HydrophobicContact CG2-CG2 4.37Å; V401-Y403 HydrophobicContact CG1-CD1 4.32Å; V401-H419 WeakPolarHBondContact O-CA 3.15Å; V401-W420 HydrophobicContact CB-CE3 4.17Å; V401-W420 HydrophobicContact CG2-CE3 3.81Å; V401-W420 HydrophobicContact CG2-CZ3 4.14Å; V401-W420 PolarHBondContact N-O 3.03Å; V401-W420 PolarHBondContact O-N 2.94Å
402Y95.4Very high93.9Very high16 Ų1647.1 Ų47.16%0.06322%0.223CC..EExtended strand (participates in β ladder)trans-104.3130.5173.5-60.3-86.7000109L394 K395 N400 Y418 H419 L429 F444 T468L394-Y402 PolarHBondContact N-O 2.97Å; K395-Y402 HydrophobicContact CB-CD2 4.01Å; K395-Y402 HydrophobicContact CG-CD2 4.48Å; K395-Y402 PolarHBondContact N-O 2.74Å; K395-Y402 PolarHBondContact O-N 2.85Å; N400-Y402 HydrophobicContact CB-CD2 4.4Å; N400-Y402 HydrophobicContact CB-CE2 3.74Å; Y402-Y418 WeakPolarHBondContact CA-O 3.36Å; Y402-H419 HydrophobicContact CD1-CB 3.89Å; Y402-H419 HydrophobicContact CE1-CB 3.9Å; Y402-H419 AromaticContact CE1-CD2 3.71Å; Y402-H419 AromaticContact CE1-CG 3.57Å; Y402-H419 AromaticContact CE1-ND1 3.91Å; Y402-H419 AromaticContact CZ-CD2 4Å; Y402-L429 HydrophobicContact CD1-CD1 3.82Å; Y402-L429 HydrophobicContact CE1-CD1 3.94Å; Y402-F444 HydrophobicContact CD1-CE1 4.42Å; Y402-F444 HydrophobicContact CD1-CE2 4.48Å; Y402-F444 AromaticContact CD1-CZ 3.69Å; Y402-F444 HydrophobicContact CD1-CZ 3.69Å; Y402-F444 HydrophobicContact CD2-CZ 4.14Å; Y402-F444 HydrophobicContact CE1-CZ 4.28Å; Y402-F444 HydrophobicContact CG-CE1 4.43Å; Y402-F444 HydrophobicContact CG-CE2 4.01Å; Y402-F444 AromaticContact CG-CZ 3.6Å; Y402-F444 HydrophobicContact CG-CZ 3.6Å; Y402-T468 HydrophobicContact CE1-CG2 4.33Å
403Y96.9Very high93.9Very high1 Ų142.3 Ų42.30%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-149.3153.2-172.662.6-86.3000112.6I372 T384 D390 E392 V401 V417 Y418 W420I372-Y403 VanDerWaalsContact CD1-CB 3.44Å; I372-Y403 HydrophobicContact CD1-CD1 3.71Å; I372-Y403 HydrophobicContact CD1-CD2 3.72Å; I372-Y403 HydrophobicContact CD1-CE1 4.35Å; I372-Y403 HydrophobicContact CD1-CE2 4.35Å; I372-Y403 HydrophobicContact CD1-CG 3.35Å; T384-Y403 HydrophobicContact CG2-CE1 4.39Å; T384-Y403 HydrophobicContact CG2-CE2 4.17Å; D390-Y403 WeakPolarHBondContact OD1-CD2 3.47Å; D390-Y403 WeakPolarHBondContact OD1-CE2 3.46Å; E392-Y403 CarbonylContact O-C 3.58Å; E392-Y403 WeakPolarHBondContact O-CA 3.33Å; E392-Y403 WeakPolarHBondContact O-CB 3.46Å; V401-Y403 HydrophobicContact CG1-CD1 4.32Å; Y403-V417 CarbonylContact O-C 3.43Å; Y403-V417 WeakPolarHBondContact O-CA 3.37Å; Y403-Y418 HydrophobicContact CE2-CD2 4.29Å; Y403-Y418 HydrophobicContact CE2-CG 4.03Å; Y403-Y418 PolarHBondContact N-O 3.11Å; Y403-Y418 PolarHBondContact O-N 3.25Å; Y403-W420 HydrophobicContact CE1-CB 3.96Å
404L97.6Very high93.9Very high9 Ų941.7 Ų41.75%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-92.8133.2174.6-165.170.8000109.6I391 E392 R415 V417 N440I391-L404 HydrophobicContact CB-CB 4.4Å; I391-L404 HydrophobicContact CB-CD2 4.46Å; I391-L404 WeakPolarHBondContact CB-O 3.39Å; I391-L404 HydrophobicContact CG2-CD2 4.13Å; I391-L404 PolarHBondContact N-O 3.44Å; E392-L404 HydrophobicContact CB-CB 4.13Å; E392-L404 PolarHBondContact N-O 3.36Å; E392-L404 PolarHBondContact O-N 2.8Å; L404-R415 HydrophobicContact CD1-CB 4.07Å; L404-R415 HydrophobicContact CD2-CB 4.37Å; L404-R415 HydrophobicContact CD2-CG 4.39Å; L404-R415 HydrophobicContact CG-CB 4.34Å; L404-V417 HydrophobicContact CD1-CG2 3.61Å; L404-N440 WeakPolarHBondContact CD1-O 3.13Å
405S97.8Very high94Very high0 Ų040.2 Ų40.20%019%0.191CC..EExtended strand (participates in β ladder)trans-145160179.4164.40000111.6W388 E389 E407 N416W388-S405 WeakPolarHBondContact CZ3-OG 3.4Å; E389-S405 WeakPolarHBondContact O-CA 3.44Å; E389-S405 PolarHBondContact O-OG 3.36Å; S405-E407 WeakPolarHBondContact OG-CB 3.5Å; S405-E407 PolarHBondContact OG-N 3.14Å; S405-N416 PolarHBondContact N-O 3.36Å; S405-N416 PolarHBondContact O-N 2.97Å
406N97.5Very high94.1Very high3 Ų337.5 Ų37.52%0.01618%0.18CC..SBendtrans-101.917.5170.967.83.4000113.7W388 E389 I391 Q408 P412 G414 Y568W388-N406 WeakPolarHBondContact CB-OD1 3.38Å; E389-N406 PolarHBondContact N-OD1 3.41Å; E389-N406 PolarHBondContact O-N 2.97Å; E389-N406 PolarHBondContact O-OD1 2.94Å; I391-N406 HydrophobicContact CD1-CB 4.1Å; N406-Q408 VanDerWaalsContact C-N 3.28Å; N406-Q408 PolarHBondContact O-N 3.05Å; N406-P412 WeakPolarHBondContact ND2-CA 3.46Å; N406-P412 PolarHBondContact ND2-O 2.96Å; N406-G414 VanDerWaalsContact CB-O 3.23Å; N406-G414 WeakPolarHBondContact CB-O 3.27Å; N406-Y568 PolarHBondContact ND2-O 2.66Å
407E96Very high94.1Very high29 Ų2936.8 Ų36.814%0.13618%0.175CC..THydrogen-bonded Turntrans-54-40.9179175.9179.4-172.700113W388 S405 N409 R410 Y418 Y426W388-E407 HydrophobicContact CB-CB 4.39Å; W388-E407 HydrophobicContact CD2-CB 3.53Å; W388-E407 HydrophobicContact CD2-CG 3.95Å; W388-E407 HydrophobicContact CE3-CB 3.86Å; W388-E407 HydrophobicContact CG-CB 3.78Å; W388-E407 HydrophobicContact CG-CG 4.07Å; W388-E407 HydrophobicContact CZ2-CB 4.26Å; W388-E407 HydrophobicContact CZ2-CG 4.14Å; W388-E407 HydrophobicContact CZ3-CB 4.34Å; S405-E407 WeakPolarHBondContact OG-CB 3.5Å; S405-E407 PolarHBondContact OG-N 3.14Å; E407-N409 PolarHBondContact O-N 2.62Å; E407-R410 PolarHBondContact O-N 3Å; E407-Y418 HydrophobicContact CB-CE1 4.48Å; E407-Y418 HydrophobicContact CB-CE2 4.25Å; E407-Y418 WeakPolarHBondContact OE2-CE1 3.05Å; E407-Y426 WeakPolarHBondContact OE1-CE2 3.5Å; E407-Y426 PolarHBondContact OE1-OH 3.1Å
408Q94.9Very high94.4Very high63 Ų6335.4 Ų35.429%0.29417%0.165SC..G310 helixtrans-56.2117.1-170.6-175.258.720.600112N406 R410 K411 N416 Y418 C431N406-Q408 VanDerWaalsContact C-N 3.28Å; N406-Q408 PolarHBondContact O-N 3.05Å; Q408-R410 PolarHBondContact O-N 2.83Å; Q408-R410 VanDerWaalsContact O-N 3.1Å; Q408-K411 PolarHBondContact O-N 2.99Å; Q408-N416 HydrophobicContact CB-CB 4.33Å; Q408-N416 VanDerWaalsContact CB-ND2 3.31Å; Q408-N416 WeakPolarHBondContact CB-ND2 3.46Å; Q408-Y418 WeakPolarHBondContact CA-OH 3.2Å; Q408-Y418 WeakPolarHBondContact CB-OH 3.02Å; Q408-Y418 PolarHBondContact N-OH 3.45Å; Q408-Y418 VanDerWaalsContact N-OH 3.08Å; Q408-C431 PolarHBondContact OE1-SG 2.69Å
409N91.2Very high94.6Very high113 Ų11329.3 Ų29.360%0.60414%0.139SC*.G310 helixtrans55.619.5-178.3-59.1-36.3000114.6E407 K411E407-N409 PolarHBondContact O-N 2.62Å; N409-K411 HydrophobicContact CB-CD 4.25Å; N409-K411 HydrophobicContact CB-CG 4.2Å; N409-K411 PolarHBondContact O-N 2.87Å
410R90.2Very high95Very high159 Ų15927.5 Ų27.560%0.613%0.126SC*.G310 helixtrans5143.2-176.7-57.3-177.7178-154.9-6.6112.7E387 E407 Q408 P412E387-R410 IonicContact OE2-CZ 3.08Å; E387-R410 IonicContact OE2-NH1 2.8Å; E387-R410 PolarHBondContact OE2-NH1 3.29Å; E387-R410 IonicContact OE2-NH2 2.85Å; E407-R410 PolarHBondContact O-N 3Å; Q408-R410 PolarHBondContact O-N 2.83Å; Q408-R410 VanDerWaalsContact O-N 3.1Å; R410-P412 WeakPolarHBondContact O-CD 3.08Å
411K94.3Very high94.8Very high49 Ų4926.5 Ų26.521%0.21312%0.121CC..  trans-100.4101.2178.2-73.7-179.9169.8-173.80108.9Q408 N409 G413 G414 E438 W508 F540Q408-K411 PolarHBondContact O-N 2.99Å; N409-K411 HydrophobicContact CB-CD 4.25Å; N409-K411 HydrophobicContact CB-CG 4.2Å; N409-K411 PolarHBondContact O-N 2.87Å; K411-G413 PolarHBondContact O-N 2.79Å; K411-G413 VanDerWaalsContact O-N 3.13Å; K411-G414 WeakPolarHBondContact O-CA 3.25Å; K411-G414 PolarHBondContact O-N 2.63Å; K411-E438 WeakPolarHBondContact CD-OE2 3.21Å; K411-E438 WeakPolarHBondContact CE-OE2 3.41Å; K411-E438 IonicContact NZ-OE1 3.45Å; K411-E438 PolarHBondContact NZ-OE1 3.06Å; K411-E438 IonicContact NZ-OE2 3.82Å; K411-E438 PolarHBondContact NZ-OE2 3.27Å; K411-W508 HydrophobicContact CG-CH2 3.94Å; K411-W508 HydrophobicContact CG-CZ2 4.35Å; K411-F540 HydrophobicContact CB-CE2 3.9Å; K411-F540 HydrophobicContact CB-CZ 4.21Å; K411-F540 HydrophobicContact CD-CE1 4.27Å; K411-F540 HydrophobicContact CD-CE2 4.09Å; K411-F540 HydrophobicContact CD-CZ 3.69Å; K411-F540 HydrophobicContact CG-CE2 4.37Å; K411-F540 HydrophobicContact CG-CZ 4.17Å
412P95.9Very high93.9Very high10 Ų1030.9 Ų30.97%0.06514%0.138CC..THydrogen-bonded Turntrans-60.4-30.4-171.8-25.837000114.5N406 R410 G414 R415 W508 Q536 Q569N406-P412 WeakPolarHBondContact ND2-CA 3.46Å; N406-P412 PolarHBondContact ND2-O 2.96Å; R410-P412 WeakPolarHBondContact O-CD 3.08Å; P412-G414 VanDerWaalsContact C-N 3.31Å; P412-R415 PolarHBondContact O-NH1 3.34Å; P412-W508 VanDerWaalsContact CD-CE2 3.45Å; P412-Q536 PolarHBondContact O-NE2 3.41Å; P412-Q569 HydrophobicContact CB-CG 3.43Å; P412-Q569 VanDerWaalsContact CB-CG 3.43Å; P412-Q569 VanDerWaalsContact CG-CD 3.44Å; P412-Q569 HydrophobicContact CG-CG 3.37Å
413G97.2Very high92.6Very high2 Ų237.5 Ų37.52%0.02117%0.174CC..THydrogen-bonded Turntrans-81.6-4.1175.100000114.8K411 Y439 V538 D539K411-G413 PolarHBondContact O-N 2.79Å; K411-G413 VanDerWaalsContact O-N 3.13Å; G413-Y439 WeakPolarHBondContact O-CD2 3.47Å; G413-V538 WeakPolarHBondContact CA-O 3.13Å; G413-D539 WeakPolarHBondContact O-CB 3.4Å
414G97.3Very high90.8Very high4 Ų442.9 Ų42.94%0.04120%0.202CC..  trans-81.8153.917700000111.7N406 K411 P412 E438N406-G414 VanDerWaalsContact CB-O 3.23Å; N406-G414 WeakPolarHBondContact CB-O 3.27Å; K411-G414 WeakPolarHBondContact O-CA 3.25Å; K411-G414 PolarHBondContact O-N 2.63Å; P412-G414 VanDerWaalsContact C-N 3.31Å; G414-E438 CarbonylContact C-O 3.59Å; G414-E438 VanDerWaalsContact CA-O 3.24Å; G414-E438 WeakPolarHBondContact CA-O 3.42Å
415R97.7Very high89.9Confident5 Ų547 Ų472%0.01923%0.231CC..BIsolated β-bridgetrans-136119.9174.5-61.3-63.4179.9-90.80.3109.3I391 L404 P412 E438 Y439 N440I391-R415 VanDerWaalsContact CD1-NE 3.34Å; L404-R415 HydrophobicContact CD1-CB 4.07Å; L404-R415 HydrophobicContact CD2-CB 4.37Å; L404-R415 HydrophobicContact CD2-CG 4.39Å; L404-R415 HydrophobicContact CG-CB 4.34Å; P412-R415 PolarHBondContact O-NH1 3.34Å; R415-E438 PolarHBondContact N-O 3.24Å; R415-Y439 HydrophobicContact CB-CD1 4.14Å; R415-Y439 HydrophobicContact CB-CD2 4.33Å; R415-Y439 HydrophobicContact CB-CE1 4.18Å; R415-Y439 HydrophobicContact CB-CE2 4.43Å; R415-Y439 HydrophobicContact CB-CG 4.2Å; R415-Y439 HydrophobicContact CG-CD1 4Å; R415-Y439 HydrophobicContact CG-CD2 3.73Å; R415-Y439 HydrophobicContact CG-CE1 3.65Å; R415-Y439 HydrophobicContact CG-CE2 3.41Å; R415-Y439 VanDerWaalsContact CG-CE2 3.41Å; R415-Y439 HydrophobicContact CG-CG 4.03Å; R415-N440 WeakPolarHBondContact CB-O 3.4Å; R415-N440 VanDerWaalsContact O-CB 3.3Å; R415-N440 WeakPolarHBondContact O-CB 3.36Å; R415-N440 PolarHBondContact O-N 2.76Å; R415-N440 PolarHBondContact O-ND2 2.73Å
416N96.6Very high89.2Confident7 Ų752.3 Ų52.34%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-134146.6176.3-76.4-77.7000109.9S405 Q408 Y418 T430 N440S405-N416 PolarHBondContact N-O 3.36Å; S405-N416 PolarHBondContact O-N 2.97Å; Q408-N416 HydrophobicContact CB-CB 4.33Å; Q408-N416 VanDerWaalsContact CB-ND2 3.31Å; Q408-N416 WeakPolarHBondContact CB-ND2 3.46Å; N416-Y418 HydrophobicContact CB-CD2 4.37Å; N416-Y418 HydrophobicContact CB-CE2 3.65Å; N416-Y418 WeakPolarHBondContact O-CD2 3.38Å; N416-T430 VanDerWaalsContact CA-OG1 3.29Å; N416-T430 WeakPolarHBondContact CA-OG1 3.39Å; N416-T430 VanDerWaalsContact CB-OG1 3.3Å; N416-T430 WeakPolarHBondContact CB-OG1 3.43Å; N416-T430 PolarHBondContact OD1-OG1 2.91Å; N416-N440 PolarHBondContact OD1-ND2 3.17Å
417V95.3Very high88.9Confident0 Ų056.8 Ų56.80%027%0.272CS..EExtended strand (participates in β ladder)trans-96.5130178.5-178.60000109.3L394 Y403 L404 L429 T430 I442L394-V417 HydrophobicContact CD1-CB 4.35Å; L394-V417 HydrophobicContact CD1-CG1 3.65Å; L394-V417 HydrophobicContact CD1-CG2 3.75Å; Y403-V417 CarbonylContact O-C 3.43Å; Y403-V417 WeakPolarHBondContact O-CA 3.37Å; L404-V417 HydrophobicContact CD1-CG2 3.61Å; V417-L429 HydrophobicContact CG1-CD1 4.36Å; V417-L429 WeakPolarHBondContact O-CB 3.21Å; V417-L429 PolarHBondContact O-N 2.85Å; V417-T430 HydrophobicContact CB-CG2 3.9Å; V417-T430 HydrophobicContact CG2-CG2 4.17Å; V417-T430 PolarHBondContact N-OG1 3.36Å; V417-I442 HydrophobicContact CB-CD1 3.68Å; V417-I442 HydrophobicContact CB-CG1 4.27Å; V417-I442 HydrophobicContact CG1-CD1 3.83Å; V417-I442 HydrophobicContact CG2-CB 4Å; V417-I442 HydrophobicContact CG2-CD1 3.75Å; V417-I442 HydrophobicContact CG2-CG1 3.75Å
418Y94.4Very high88.7Confident5 Ų556.3 Ų56.32%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-114.6159.7179.5-69.3-102.1000110.2Y402 Y403 E407 Q408 N416 Y426 K427 C428Y402-Y418 WeakPolarHBondContact CA-O 3.36Å; Y403-Y418 HydrophobicContact CE2-CD2 4.29Å; Y403-Y418 HydrophobicContact CE2-CG 4.03Å; Y403-Y418 PolarHBondContact N-O 3.11Å; Y403-Y418 PolarHBondContact O-N 3.25Å; E407-Y418 HydrophobicContact CB-CE1 4.48Å; E407-Y418 HydrophobicContact CB-CE2 4.25Å; E407-Y418 WeakPolarHBondContact OE2-CE1 3.05Å; Q408-Y418 WeakPolarHBondContact CA-OH 3.2Å; Q408-Y418 WeakPolarHBondContact CB-OH 3.02Å; Q408-Y418 PolarHBondContact N-OH 3.45Å; Q408-Y418 VanDerWaalsContact N-OH 3.08Å; N416-Y418 HydrophobicContact CB-CD2 4.37Å; N416-Y418 HydrophobicContact CB-CE2 3.65Å; N416-Y418 WeakPolarHBondContact O-CD2 3.38Å; Y418-Y426 HydrophobicContact CD1-CD2 4.13Å; Y418-Y426 HydrophobicContact CE1-CD2 4.46Å; Y418-K427 CarbonylContact C-O 3.58Å; Y418-K427 WeakPolarHBondContact CA-O 3.22Å; Y418-C428 HydrophobicContact CD1-CB 3.8Å; Y418-C428 HydrophobicContact CE1-CB 3.46Å; Y418-C428 VanDerWaalsContact CE1-CB 3.46Å
419H90.5Very high88.4Confident22 Ų2253.5 Ų53.510%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-132.1118.1179.3170.9-159.5000107.7N400 V401 Y402 T421 Y426 K427 L429N400-H419 WeakPolarHBondContact CB-NE2 3.42Å; N400-H419 VanDerWaalsContact CG-NE2 3.29Å; N400-H419 PolarHBondContact OD1-CE1 2.97Å; N400-H419 PolarHBondContact OD1-NE2 2.99Å; V401-H419 WeakPolarHBondContact O-CA 3.15Å; Y402-H419 HydrophobicContact CD1-CB 3.89Å; Y402-H419 HydrophobicContact CE1-CB 3.9Å; Y402-H419 AromaticContact CE1-CD2 3.71Å; Y402-H419 AromaticContact CE1-CG 3.57Å; Y402-H419 AromaticContact CE1-ND1 3.91Å; Y402-H419 AromaticContact CZ-CD2 4Å; H419-T421 WeakPolarHBondContact NE2-CG2 3.35Å; H419-Y426 CarbonylContact O-C 3.05Å; H419-Y426 VanDerWaalsContact O-CA 3.31Å; H419-Y426 WeakPolarHBondContact O-CA 3.46Å; H419-K427 PolarHBondContact N-O 2.95Å; H419-K427 PolarHBondContact O-N 2.95Å; H419-L429 HydrophobicContact CB-CD1 4.02Å; H419-L429 HydrophobicContact CB-CD2 3.66Å; H419-L429 HydrophobicContact CB-CG 3.84Å
420W93Very high88.5Confident43 Ų4348.1 Ų48.116%0.16323%0.229CC..EExtended strand (participates in β ladder)trans-105.4144170.6176.292.1000109.9Y360 I383 N400 V401 Y403 R422Y360-W420 HydrophobicContact CE1-CZ3 4.31Å; I383-W420 HydrophobicContact CB-CZ2 4.24Å; I383-W420 HydrophobicContact CD1-CD2 4.02Å; I383-W420 HydrophobicContact CD1-CE3 4.02Å; I383-W420 HydrophobicContact CD1-CG 4.36Å; I383-W420 HydrophobicContact CD1-CZ3 4.41Å; I383-W420 HydrophobicContact CG2-CH2 4.21Å; I383-W420 HydrophobicContact CG2-CZ2 4.05Å; N400-W420 CarbonylContact C-O 3.51Å; N400-W420 VanDerWaalsContact CA-O 3.3Å; N400-W420 WeakPolarHBondContact CA-O 3.22Å; V401-W420 HydrophobicContact CB-CE3 4.17Å; V401-W420 HydrophobicContact CG2-CE3 3.81Å; V401-W420 HydrophobicContact CG2-CZ3 4.14Å; V401-W420 PolarHBondContact N-O 3.03Å; V401-W420 PolarHBondContact O-N 2.94Å; Y403-W420 HydrophobicContact CE1-CB 3.96Å; W420-R422 HydrophobicContact CH2-CB 4.2Å; W420-R422 HydrophobicContact CH2-CG 3.6Å; W420-R422 HydrophobicContact CZ3-CB 4.44Å; W420-R422 HydrophobicContact CZ3-CG 3.63Å
421T86.8Confident88.5Confident17 Ų1741.8 Ų41.810%0.10421%0.209CC..EExtended strand (participates in β ladder)trans-127.4150173.668.20000111.3D399 N400 H419 N423 I424D399-T421 WeakPolarHBondContact O-CA 3.46Å; D399-T421 WeakPolarHBondContact O-CB 3.37Å; N400-T421 WeakPolarHBondContact OD1-CG2 3.31Å; H419-T421 WeakPolarHBondContact NE2-CG2 3.35Å; T421-N423 PolarHBondContact O-N 3.4Å; T421-I424 PolarHBondContact O-N 3.07Å; T421-I424 WeakPolarHBondContact OG1-CA 3.49Å; T421-I424 WeakPolarHBondContact OG1-CB 3.45Å; T421-I424 WeakPolarHBondContact OG1-CG1 3.19Å; T421-I424 PolarHBondContact OG1-N 3.07Å; T421-I424 PolarHBondContact OG1-O 2.95Å
422R75.8Confident88Confident92 Ų9244.2 Ų44.235%0.34723%0.228SC..THydrogen-bonded Turntrans-57.7-18.7-178-74.5-179.9174-177.6-3.4114.7D355 Y360 D399 W420D355-R422 IonicContact OD2-NH2 3.91Å; Y360-R422 PolarHBondContact OH-NE 3.38Å; Y360-R422 PolarHBondContact OH-NH2 3.14Å; D399-R422 PolarHBondContact O-N 2.76Å; D399-R422 VanDerWaalsContact O-N 3.08Å; W420-R422 HydrophobicContact CH2-CB 4.2Å; W420-R422 HydrophobicContact CH2-CG 3.6Å; W420-R422 HydrophobicContact CZ3-CB 4.44Å; W420-R422 HydrophobicContact CZ3-CG 3.63Å
423N68.4Low87.6Confident155 Ų15544.8 Ų44.883%0.82923%0.231SC*.THydrogen-bonded Turntrans-124.4-3.7-175.3-65.1-29.7000115T421T421-N423 PolarHBondContact O-N 3.4Å
424I58.8Low87Confident114 Ų11446 Ų4659%0.58524%0.235SC*.EExtended strand (participates in β ladder)trans-131.6150.4-176.7-46.6171.5000108.7T421T421-I424 PolarHBondContact O-N 3.07Å; T421-I424 WeakPolarHBondContact OG1-CA 3.49Å; T421-I424 WeakPolarHBondContact OG1-CB 3.45Å; T421-I424 WeakPolarHBondContact OG1-CG1 3.19Å; T421-I424 PolarHBondContact OG1-N 3.07Å; T421-I424 PolarHBondContact OG1-O 2.95Å
425S77.4Confident86.5Confident94 Ų9454.5 Ų54.566%0.65727%0.271SS*.EExtended strand (participates in β ladder)trans-46.7155.5164.763.60000112.4
426Y84.8Confident86.1Confident113 Ų11359.3 Ų59.344%0.44329%0.294SS..EExtended strand (participates in β ladder)trans-65.1156.1171.463.2-85.5000111.7E407 Y418 H419E407-Y426 WeakPolarHBondContact OE1-CE2 3.5Å; E407-Y426 PolarHBondContact OE1-OH 3.1Å; Y418-Y426 HydrophobicContact CD1-CD2 4.13Å; Y418-Y426 HydrophobicContact CE1-CD2 4.46Å; H419-Y426 CarbonylContact O-C 3.05Å; H419-Y426 VanDerWaalsContact O-CA 3.31Å; H419-Y426 WeakPolarHBondContact O-CA 3.46Å
427K89.6Confident86.1Confident97 Ų9759.2 Ų59.242%0.42229%0.294SS..EExtended strand (participates in β ladder)trans-139131.9178180-176.1175.6-170.80110.5Y418 H419 L429Y418-K427 CarbonylContact C-O 3.58Å; Y418-K427 WeakPolarHBondContact CA-O 3.22Å; H419-K427 PolarHBondContact N-O 2.95Å; H419-K427 PolarHBondContact O-N 2.95Å; K427-L429 PolarHBondContact O-N 3.31Å
428C92.1Very high86.1Confident19 Ų1961.5 Ų61.513%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-74118.7168.5-174.40000110.6Y418 C431Y418-C428 HydrophobicContact CD1-CB 3.8Å; Y418-C428 HydrophobicContact CE1-CB 3.46Å; Y418-C428 VanDerWaalsContact CE1-CB 3.46Å; C428-C431 HydrophobicContact CB-CB 3.69Å; C428-C431 WeakPolarHBondContact CB-SG 3.33Å; C428-C431 WeakPolarHBondContact SG-CB 3.49Å; C428-C431 PolarHBondContact SG-N 2.87Å; C428-C431 CovalentContact SG-SG 2.02Å; C428-C431 PolarHBondContact SG-SG 3.4Å
429L89.6Confident86.2Confident3 Ų362.3 Ų62.32%0.01631%0.308CS..SBendtrans-78.2-42.2179-58.9-168.8000112.1Y402 V417 H419 K427 F471Y402-L429 HydrophobicContact CD1-CD1 3.82Å; Y402-L429 HydrophobicContact CE1-CD1 3.94Å; V417-L429 HydrophobicContact CG1-CD1 4.36Å; V417-L429 WeakPolarHBondContact O-CB 3.21Å; V417-L429 PolarHBondContact O-N 2.85Å; H419-L429 HydrophobicContact CB-CD1 4.02Å; H419-L429 HydrophobicContact CB-CD2 3.66Å; H419-L429 HydrophobicContact CB-CG 3.84Å; K427-L429 PolarHBondContact O-N 3.31Å; L429-F471 HydrophobicContact CD1-CD1 4.45Å; L429-F471 HydrophobicContact CD1-CE1 3.94Å; L429-F471 HydrophobicContact CD2-CD1 3.77Å; L429-F471 HydrophobicContact CD2-CE1 3.22Å; L429-F471 HydrophobicContact CD2-CZ 3.82Å; L429-F471 HydrophobicContact CG-CE1 4.15Å
430T91.9Very high86.6Confident0 Ų061.2 Ų61.20%030%0.303CS..Hα-helixtrans-81.9-27.8-171.9520000112.9N416 V417 T432 L433 Q434 N440 I442 F453N416-T430 VanDerWaalsContact CA-OG1 3.29Å; N416-T430 WeakPolarHBondContact CA-OG1 3.39Å; N416-T430 VanDerWaalsContact CB-OG1 3.3Å; N416-T430 WeakPolarHBondContact CB-OG1 3.43Å; N416-T430 PolarHBondContact OD1-OG1 2.91Å; V417-T430 HydrophobicContact CB-CG2 3.9Å; V417-T430 HydrophobicContact CG2-CG2 4.17Å; V417-T430 PolarHBondContact N-OG1 3.36Å; T430-T432 PolarHBondContact O-N 2.78Å; T430-L433 PolarHBondContact O-N 2.66Å; T430-L433 VanDerWaalsContact O-N 3.1Å; T430-Q434 PolarHBondContact O-N 3.36Å; T430-N440 HydrophobicContact CG2-CB 3.9Å; T430-I442 HydrophobicContact CG2-CD1 4.03Å; T430-F453 HydrophobicContact CG2-CD2 3.92Å; T430-F453 HydrophobicContact CG2-CE2 3.51Å
431C90.1Very high86.7Confident26 Ų2660.8 Ų60.818%0.17631%0.305CS..Hα-helixtrans-59.6-30.7-177.1-58.80000113.5Q408 C428Q408-C431 PolarHBondContact OE1-SG 2.69Å; C428-C431 HydrophobicContact CB-CB 3.69Å; C428-C431 WeakPolarHBondContact CB-SG 3.33Å; C428-C431 WeakPolarHBondContact SG-CB 3.49Å; C428-C431 PolarHBondContact SG-N 2.87Å; C428-C431 CovalentContact SG-SG 2.02Å; C428-C431 PolarHBondContact SG-SG 3.4Å
432T85.6Confident87.1Confident100 Ų10060.6 Ų60.661%0.61330%0.303SS*.Hα-helixtrans-96.5-22.8176.857.50000112.9T430T430-T432 PolarHBondContact O-N 2.78Å
433L85.8Confident88.1Confident23 Ų2360.6 Ų60.612%0.1230%0.304CS..Hα-helixtrans-73.9-39.8-174.8-169.666.6000112.5T430 F453 V466 K473T430-L433 PolarHBondContact O-N 2.66Å; T430-L433 VanDerWaalsContact O-N 3.1Å; L433-F453 HydrophobicContact CD2-CB 4.08Å; L433-F453 HydrophobicContact CD2-CD1 3.62Å; L433-F453 HydrophobicContact CD2-CD2 3.77Å; L433-F453 HydrophobicContact CD2-CE1 3.97Å; L433-F453 HydrophobicContact CD2-CE2 4.08Å; L433-F453 HydrophobicContact CD2-CG 3.53Å; L433-F453 HydrophobicContact CD2-CZ 4.18Å; L433-F453 HydrophobicContact CG-CD1 4.37Å; L433-F453 HydrophobicContact CG-CE1 4.37Å; L433-V466 HydrophobicContact CD2-CG2 3.99Å; L433-K473 HydrophobicContact CD1-CD 4.35Å; L433-K473 HydrophobicContact CD1-CG 3.7Å; L433-K473 HydrophobicContact CG-CG 4.35Å; L433-K473 WeakPolarHBondContact O-CE 3.39Å; L433-K473 PolarHBondContact O-NZ 2.87Å
434Q85.9Confident89.4Confident26 Ų2654 Ų5412%0.12127%0.268CS..  trans-14990.1173.7-169.4122.9-49.600109.7T430 E436 C437 F453T430-Q434 PolarHBondContact O-N 3.36Å; Q434-E436 PolarHBondContact O-N 3.4Å; Q434-E436 VanDerWaalsContact O-N 3.07Å; Q434-C437 HydrophobicContact CB-CB 4.09Å; Q434-C437 HydrophobicContact CG-CB 3.99Å; Q434-C437 WeakPolarHBondContact O-CB 3.42Å; Q434-C437 PolarHBondContact O-N 2.73Å; Q434-F453 HydrophobicContact CB-CE1 3.99Å; Q434-F453 HydrophobicContact CB-CZ 4.01Å
435K86.2Confident91.2Very high183 Ų18348.7 Ų48.780%0.79624%0.241SC*.THydrogen-bonded Turntrans-55.2-31.1-171.8-69.3-175.4178.1-178.70114.8C437K435-C437 VanDerWaalsContact C-N 3.31Å
436E90Very high92Very high106 Ų10648.9 Ų48.950%0.49523%0.231SC..THydrogen-bonded Turntrans-89.96.7-179.5-64.5-161.2-121.800113.6Q434 P458 R459Q434-E436 PolarHBondContact O-N 3.4Å; Q434-E436 VanDerWaalsContact O-N 3.07Å; E436-P458 WeakPolarHBondContact O-CD 3.18Å; E436-R459 IonicContact OE1-CZ 3.36Å; E436-R459 VanDerWaalsContact OE1-CZ 3.28Å; E436-R459 IonicContact OE1-NH1 3.37Å; E436-R459 PolarHBondContact OE1-NH1 3.17Å; E436-R459 IonicContact OE1-NH2 2.69Å; E436-R459 PolarHBondContact OE1-NH2 3.29Å; E436-R459 IonicContact OE2-CZ 3.47Å; E436-R459 VanDerWaalsContact OE2-CZ 3.27Å; E436-R459 IonicContact OE2-NE 2.72Å; E436-R459 IonicContact OE2-NH1 3.74Å; E436-R459 PolarHBondContact OE2-NH1 2.93Å; E436-R459 IonicContact OE2-NH2 3.52Å
437C95.4Very high92.3Very high5 Ų549.4 Ų49.43%0.03424%0.241CC..EExtended strand (participates in β ladder)trans-100121172.9-157.40000111.2Q434 K435 Y439 N440 C455 G457Q434-C437 HydrophobicContact CB-CB 4.09Å; Q434-C437 HydrophobicContact CG-CB 3.99Å; Q434-C437 WeakPolarHBondContact O-CB 3.42Å; Q434-C437 PolarHBondContact O-N 2.73Å; K435-C437 VanDerWaalsContact C-N 3.31Å; C437-Y439 PolarHBondContact SG-O 3.05Å; C437-N440 VanDerWaalsContact CB-OD1 3.31Å; C437-N440 WeakPolarHBondContact CB-OD1 3.07Å; C437-N440 PolarHBondContact O-ND2 2.95Å; C437-N440 VanDerWaalsContact O-ND2 3.15Å; C437-N440 PolarHBondContact SG-OD1 3.04Å; C437-C455 HydrophobicContact CB-CB 3.85Å; C437-C455 WeakPolarHBondContact CB-SG 2.97Å; C437-C455 WeakPolarHBondContact SG-CA 3.43Å; C437-C455 WeakPolarHBondContact SG-CB 3.4Å; C437-C455 CovalentContact SG-SG 2.02Å; C437-C455 PolarHBondContact SG-SG 3.11Å; C437-G457 CarbonylContact C-O 3.46Å; C437-G457 WeakPolarHBondContact CA-O 3.34Å; C437-G457 PolarHBondContact SG-O 3.45Å
438E95.8Very high92.5Very high48 Ų4845.2 Ų45.222%0.22423%0.225CC..EExtended strand (participates in β ladder)trans-109.4-11.6-179.4-57.3-167.1-16700112.8K411 G414 R415 G457 F540K411-E438 WeakPolarHBondContact CD-OE2 3.21Å; K411-E438 WeakPolarHBondContact CE-OE2 3.41Å; K411-E438 IonicContact NZ-OE1 3.45Å; K411-E438 PolarHBondContact NZ-OE1 3.06Å; K411-E438 IonicContact NZ-OE2 3.82Å; K411-E438 PolarHBondContact NZ-OE2 3.27Å; G414-E438 CarbonylContact C-O 3.59Å; G414-E438 VanDerWaalsContact CA-O 3.24Å; G414-E438 WeakPolarHBondContact CA-O 3.42Å; R415-E438 PolarHBondContact N-O 3.24Å; E438-G457 PolarHBondContact N-O 3.14Å; E438-F540 HydrophobicContact CB-CB 3.72Å; E438-F540 HydrophobicContact CB-CD1 4.15Å; E438-F540 HydrophobicContact CB-CD2 4.37Å; E438-F540 HydrophobicContact CB-CG 3.82Å; E438-F540 WeakPolarHBondContact OE2-CD1 3.46Å; E438-F540 WeakPolarHBondContact OE2-CE1 3.5Å
439Y97.7Very high92.6Very high22 Ų2246 Ų469%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-123.2101.3172.8-158.5-67.9000110.3G413 R415 C437 T441 H456 G457 D539 R541G413-Y439 WeakPolarHBondContact O-CD2 3.47Å; R415-Y439 HydrophobicContact CB-CD1 4.14Å; R415-Y439 HydrophobicContact CB-CD2 4.33Å; R415-Y439 HydrophobicContact CB-CE1 4.18Å; R415-Y439 HydrophobicContact CB-CE2 4.43Å; R415-Y439 HydrophobicContact CB-CG 4.2Å; R415-Y439 HydrophobicContact CG-CD1 4Å; R415-Y439 HydrophobicContact CG-CD2 3.73Å; R415-Y439 HydrophobicContact CG-CE1 3.65Å; R415-Y439 HydrophobicContact CG-CE2 3.41Å; R415-Y439 VanDerWaalsContact CG-CE2 3.41Å; R415-Y439 HydrophobicContact CG-CG 4.03Å; C437-Y439 PolarHBondContact SG-O 3.05Å; Y439-T441 HydrophobicContact CE1-CG2 4.5Å; Y439-H456 HydrophobicContact CD1-CB 3.93Å; Y439-H456 HydrophobicContact CG-CB 4.49Å; Y439-H456 PolarHBondContact O-N 2.74Å; Y439-G457 PolarHBondContact N-O 2.97Å; Y439-D539 HydrophobicContact CD2-CB 4.13Å; Y439-D539 HydrophobicContact CE2-CB 4.06Å; Y439-R541 HydrophobicContact CD1-CG 3.77Å; Y439-R541 HydrophobicContact CD2-CG 3.61Å; Y439-R541 HydrophobicContact CE1-CG 4.07Å; Y439-R541 HydrophobicContact CE2-CG 3.87Å; Y439-R541 HydrophobicContact CG-CG 3.55Å; Y439-R541 PolarHBondContact OH-NE 2.74Å; Y439-R541 PolarHBondContact OH-NH2 3.32Å; Y439-R541 VanDerWaalsContact OH-NH2 3.16Å
440N96.9Very high92.9Very high0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans-117.2151.2-173.1-56.8-86.9000111.6L404 R415 N416 T430 C437 F453 S454L404-N440 WeakPolarHBondContact CD1-O 3.13Å; R415-N440 WeakPolarHBondContact CB-O 3.4Å; R415-N440 VanDerWaalsContact O-CB 3.3Å; R415-N440 WeakPolarHBondContact O-CB 3.36Å; R415-N440 PolarHBondContact O-N 2.76Å; R415-N440 PolarHBondContact O-ND2 2.73Å; N416-N440 PolarHBondContact OD1-ND2 3.17Å; T430-N440 HydrophobicContact CG2-CB 3.9Å; C437-N440 VanDerWaalsContact CB-OD1 3.31Å; C437-N440 WeakPolarHBondContact CB-OD1 3.07Å; C437-N440 PolarHBondContact O-ND2 2.95Å; C437-N440 VanDerWaalsContact O-ND2 3.15Å; C437-N440 PolarHBondContact SG-OD1 3.04Å; N440-F453 HydrophobicContact CB-CE2 3.94Å; N440-F453 WeakPolarHBondContact OD1-CE2 3.22Å; N440-F453 WeakPolarHBondContact OD1-CZ 3.43Å; N440-S454 CarbonylContact C-O 3.57Å; N440-S454 WeakPolarHBondContact CA-O 3.41Å
441T95.9Very high93.1Very high34 Ų3447.2 Ų47.221%0.20924%0.235CC..EExtended strand (participates in β ladder)trans-139.1154.816755.90000110Y439 S454 H456Y439-T441 HydrophobicContact CE1-CG2 4.5Å; T441-S454 PolarHBondContact N-O 3.33Å; T441-S454 PolarHBondContact O-N 3.17Å; T441-S454 WeakPolarHBondContact OG1-CB 3.42Å; T441-H456 PolarHBondContact OG1-NE2 3.31Å
442I95.5Very high93.5Very high13 Ų1348.3 Ų48.37%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-131.3140.1179.3-74.2-174.7000109.5L394 V417 T430 F444 Y451 R452 F453L394-I442 HydrophobicContact CD1-CB 4.34Å; V417-I442 HydrophobicContact CB-CD1 3.68Å; V417-I442 HydrophobicContact CB-CG1 4.27Å; V417-I442 HydrophobicContact CG1-CD1 3.83Å; V417-I442 HydrophobicContact CG2-CB 4Å; V417-I442 HydrophobicContact CG2-CD1 3.75Å; V417-I442 HydrophobicContact CG2-CG1 3.75Å; T430-I442 HydrophobicContact CG2-CD1 4.03Å; I442-F444 HydrophobicContact CG2-CD1 4.4Å; I442-F444 HydrophobicContact CG2-CD2 3.86Å; I442-F444 HydrophobicContact CG2-CE1 4.17Å; I442-F444 HydrophobicContact CG2-CE2 3.58Å; I442-F444 HydrophobicContact CG2-CG 4.26Å; I442-F444 HydrophobicContact CG2-CZ 3.76Å; I442-Y451 HydrophobicContact CB-CD2 4.3Å; I442-Y451 HydrophobicContact CD1-CD2 3.71Å; I442-Y451 HydrophobicContact CD1-CE2 3.42Å; I442-Y451 VanDerWaalsContact CD1-CE2 3.42Å; I442-Y451 HydrophobicContact CD1-CG 4.46Å; I442-Y451 HydrophobicContact CG1-CD2 3.84Å; I442-Y451 HydrophobicContact CG1-CE2 3.98Å; I442-Y451 HydrophobicContact CG2-CD1 4.44Å; I442-Y451 HydrophobicContact CG2-CD2 3.57Å; I442-Y451 HydrophobicContact CG2-CE2 4.35Å; I442-Y451 HydrophobicContact CG2-CG 3.61Å; I442-R452 CarbonylContact C-O 3.56Å; I442-R452 VanDerWaalsContact CA-O 3.29Å; I442-R452 WeakPolarHBondContact CA-O 3.5Å; I442-F453 HydrophobicContact CG1-CD2 4.21Å
443Y96.3Very high94Very high91 Ų9143.5 Ų43.536%0.35721%0.207SC..EExtended strand (participates in β ladder)trans-127.3106.7173.5176.6-128.8000110.3M61 W63 Y451 R452M61-Y443 HydrophobicContact CG-CD1 4.35Å; M61-Y443 HydrophobicContact CG-CE1 4.49Å; W63-Y443 AromaticContact CD1-CD1 3.57Å; W63-Y443 AromaticContact CD1-CE1 3.21Å; W63-Y443 AromaticContact CD1-CZ 3.56Å; W63-Y443 HydrophobicContact CG-CE1 4.16Å; W63-Y443 AromaticContact NE1-CD1 3.6Å; W63-Y443 AromaticContact NE1-CE1 3.74Å; W63-Y443 PolarHBondContact NE1-O 2.93Å; Y443-Y451 VanDerWaalsContact O-CA 3.29Å; Y443-Y451 WeakPolarHBondContact O-CA 3.41Å; Y443-Y451 WeakPolarHBondContact O-CB 2.89Å; Y443-R452 PolarHBondContact N-O 2.93Å; Y443-R452 PolarHBondContact O-N 2.74Å
444F96.2Very high94.5Very high18 Ų1842.4 Ų42.48%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-78.3146.6-172.9-75.1-76.6000113.4W63 L394 K395 Y402 I442 A448 Y451 T468W63-F444 PolarHBondContact NE1-O 3.46Å; L394-F444 HydrophobicContact CB-CD2 4.22Å; L394-F444 HydrophobicContact CB-CE2 3.97Å; L394-F444 HydrophobicContact CD1-CE2 4.42Å; K395-F444 HydrophobicContact CB-CD2 3.85Å; K395-F444 HydrophobicContact CB-CE2 4.12Å; K395-F444 HydrophobicContact CB-CG 4.38Å; Y402-F444 HydrophobicContact CD1-CE1 4.42Å; Y402-F444 HydrophobicContact CD1-CE2 4.48Å; Y402-F444 AromaticContact CD1-CZ 3.69Å; Y402-F444 HydrophobicContact CD1-CZ 3.69Å; Y402-F444 HydrophobicContact CD2-CZ 4.14Å; Y402-F444 HydrophobicContact CE1-CZ 4.28Å; Y402-F444 HydrophobicContact CG-CE1 4.43Å; Y402-F444 HydrophobicContact CG-CE2 4.01Å; Y402-F444 AromaticContact CG-CZ 3.6Å; Y402-F444 HydrophobicContact CG-CZ 3.6Å; I442-F444 HydrophobicContact CG2-CD1 4.4Å; I442-F444 HydrophobicContact CG2-CD2 3.86Å; I442-F444 HydrophobicContact CG2-CE1 4.17Å; I442-F444 HydrophobicContact CG2-CE2 3.58Å; I442-F444 HydrophobicContact CG2-CG 4.26Å; I442-F444 HydrophobicContact CG2-CZ 3.76Å; F444-A448 HydrophobicContact CB-CB 4.14Å; F444-A448 HydrophobicContact CD1-CB 3.42Å; F444-A448 VanDerWaalsContact CD1-CB 3.42Å; F444-A448 HydrophobicContact CE1-CB 4.01Å; F444-A448 HydrophobicContact CG-CB 3.96Å; F444-Y451 HydrophobicContact CD1-CD1 4.05Å; F444-Y451 HydrophobicContact CD1-CG 4.28Å; F444-Y451 AromaticContact CE1-CD1 3.64Å; F444-Y451 HydrophobicContact CE1-CD1 3.64Å; F444-Y451 HydrophobicContact CE1-CE1 4.36Å; F444-Y451 HydrophobicContact CE1-CG 4.12Å; F444-Y451 HydrophobicContact CZ-CD1 4.48Å; F444-T468 HydrophobicContact CE1-CG2 4.46Å
445S96.6Very high95.1Very high2 Ų241.3 Ų41.31%0.01420%0.196CC..  trans-64.5168.3162.469.30000111D66 N447 A448 S449 Y450D66-S445 WeakPolarHBondContact O-CB 3.07Å; D66-S445 PolarHBondContact O-OG 3.41Å; D66-S445 WeakPolarHBondContact OD1-CB 3.36Å; D66-S445 PolarHBondContact OD1-OG 2.86Å; S445-N447 VanDerWaalsContact C-N 3.3Å; S445-N447 PolarHBondContact O-N 3.34Å; S445-N447 VanDerWaalsContact O-N 3.14Å; S445-A448 PolarHBondContact O-N 3.03Å; S445-A448 PolarHBondContact OG-N 3.49Å; S445-S449 PolarHBondContact OG-N 3.4Å; S445-S449 VanDerWaalsContact OG-N 3.14Å; S445-Y450 PolarHBondContact N-O 2.83Å; S445-Y450 PolarHBondContact OG-N 3.16Å; S445-Y450 VanDerWaalsContact OG-N 3.09Å; S445-Y450 PolarHBondContact OG-O 3.35Å
446H93.3Very high95.6Very high97 Ų9735 Ų3545%0.44917%0.169SC..THydrogen-bonded Turntrans-54.6-39.9-170.2-72.3-164.1000114.2D66 K395D66-H446 HydrophobicContact CB-CB 4.49Å; K395-H446 WeakPolarHBondContact CE-O 3.34Å; K395-H446 PolarHBondContact NZ-O 3.36Å
447N92.4Very high95.9Very high124 Ų12430 Ų3066%0.66315%0.145SC*.THydrogen-bonded Turntrans-107.414.2175.8-55.4-32.8000112.6D66 S445 S449D66-N447 HydrophobicContact CB-CB 4.24Å; D66-N447 WeakPolarHBondContact OD1-CA 3.33Å; D66-N447 WeakPolarHBondContact OD1-CB 3.38Å; D66-N447 PolarHBondContact OD1-N 3.48Å; S445-N447 VanDerWaalsContact C-N 3.3Å; S445-N447 PolarHBondContact O-N 3.34Å; S445-N447 VanDerWaalsContact O-N 3.14Å; N447-S449 VanDerWaalsContact C-N 3.25Å; N447-S449 PolarHBondContact O-N 2.85Å
448A93.1Very high95.9Very high10 Ų1031.8 Ų31.88%0.08316%0.157CC..SBendtrans57.629.6-177.900000114.8D66 K395 F444 S445 Y450 T468D66-A448 PolarHBondContact OD1-N 3.45Å; K395-A448 HydrophobicContact CG-CB 4.07Å; F444-A448 HydrophobicContact CB-CB 4.14Å; F444-A448 HydrophobicContact CD1-CB 3.42Å; F444-A448 VanDerWaalsContact CD1-CB 3.42Å; F444-A448 HydrophobicContact CE1-CB 4.01Å; F444-A448 HydrophobicContact CG-CB 3.96Å; S445-A448 PolarHBondContact O-N 3.03Å; S445-A448 PolarHBondContact OG-N 3.49Å; A448-Y450 VanDerWaalsContact C-N 3.27Å; A448-T468 WeakPolarHBondContact O-CB 3.49Å; A448-T468 WeakPolarHBondContact O-CG2 3.42Å; A448-T468 PolarHBondContact O-OG1 2.81Å
449S94.4Very high95.9Very high35 Ų3535.2 Ų35.225%0.24517%0.168CC..SBendtrans-64.6-34.2168.1-70.10000112.2D66 Y67 S445 N447 T468D66-S449 PolarHBondContact OD1-N 3.19Å; D66-S449 WeakPolarHBondContact OD2-CB 3.4Å; D66-S449 PolarHBondContact OD2-OG 3.24Å; Y67-S449 PolarHBondContact OH-OG 2.87Å; S445-S449 PolarHBondContact OG-N 3.4Å; S445-S449 VanDerWaalsContact OG-N 3.14Å; N447-S449 VanDerWaalsContact C-N 3.25Å; N447-S449 PolarHBondContact O-N 2.85Å; S449-T468 PolarHBondContact O-N 3.47Å; S449-T468 PolarHBondContact O-OG1 3.01Å
450Y96.3Very high95.8Very high27 Ų2736.1 Ų36.111%0.10617%0.174CC..EExtended strand (participates in β ladder)trans-131.6165.3176.5-58.7-86.5000111D66 Y67 L83 S445 A448 V466 E467 I474D66-Y450 WeakPolarHBondContact O-CD2 3.37Å; Y67-Y450 HydrophobicContact CD1-CD2 4.38Å; Y67-Y450 AromaticContact CD1-CE2 3.56Å; Y67-Y450 HydrophobicContact CD1-CE2 3.56Å; Y67-Y450 AromaticContact CE1-CE2 3.77Å; Y67-Y450 HydrophobicContact CE1-CE2 3.77Å; L83-Y450 HydrophobicContact CB-CE2 4.35Å; L83-Y450 HydrophobicContact CD1-CD1 4.07Å; L83-Y450 HydrophobicContact CD1-CD2 3.74Å; L83-Y450 HydrophobicContact CD1-CE1 4.39Å; L83-Y450 HydrophobicContact CD1-CE2 4.1Å; L83-Y450 HydrophobicContact CD1-CG 3.73Å; S445-Y450 PolarHBondContact N-O 2.83Å; S445-Y450 PolarHBondContact OG-N 3.16Å; S445-Y450 VanDerWaalsContact OG-N 3.09Å; S445-Y450 PolarHBondContact OG-O 3.35Å; A448-Y450 VanDerWaalsContact C-N 3.27Å; Y450-V466 CarbonylContact C-O 3.49Å; Y450-V466 VanDerWaalsContact CA-O 3.29Å; Y450-V466 WeakPolarHBondContact CA-O 3.26Å; Y450-E467 HydrophobicContact CD1-CB 4.12Å; Y450-E467 HydrophobicContact CD1-CG 4.46Å; Y450-E467 HydrophobicContact CE1-CB 4Å; Y450-E467 HydrophobicContact CE1-CG 4.06Å; Y450-I474 HydrophobicContact CD1-CD1 3.65Å; Y450-I474 HydrophobicContact CE1-CD1 3.55Å
451Y96.3Very high95.8Very high1 Ų136.6 Ų36.60%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-150.3153.3166.358-93.2000113.3I442 Y443 F444 F453 V466 T468I442-Y451 HydrophobicContact CB-CD2 4.3Å; I442-Y451 HydrophobicContact CD1-CD2 3.71Å; I442-Y451 HydrophobicContact CD1-CE2 3.42Å; I442-Y451 VanDerWaalsContact CD1-CE2 3.42Å; I442-Y451 HydrophobicContact CD1-CG 4.46Å; I442-Y451 HydrophobicContact CG1-CD2 3.84Å; I442-Y451 HydrophobicContact CG1-CE2 3.98Å; I442-Y451 HydrophobicContact CG2-CD1 4.44Å; I442-Y451 HydrophobicContact CG2-CD2 3.57Å; I442-Y451 HydrophobicContact CG2-CE2 4.35Å; I442-Y451 HydrophobicContact CG2-CG 3.61Å; Y443-Y451 VanDerWaalsContact O-CA 3.29Å; Y443-Y451 WeakPolarHBondContact O-CA 3.41Å; Y443-Y451 WeakPolarHBondContact O-CB 2.89Å; F444-Y451 HydrophobicContact CD1-CD1 4.05Å; F444-Y451 HydrophobicContact CD1-CG 4.28Å; F444-Y451 AromaticContact CE1-CD1 3.64Å; F444-Y451 HydrophobicContact CE1-CD1 3.64Å; F444-Y451 HydrophobicContact CE1-CE1 4.36Å; F444-Y451 HydrophobicContact CE1-CG 4.12Å; F444-Y451 HydrophobicContact CZ-CD1 4.48Å; Y451-F453 HydrophobicContact CD2-CB 4.09Å; Y451-F453 HydrophobicContact CE2-CB 3.93Å; Y451-F453 PolarHBondContact O-N 3.07Å; Y451-V466 HydrophobicContact CD1-CB 4.39Å; Y451-V466 HydrophobicContact CD2-CB 3.85Å; Y451-V466 HydrophobicContact CD2-CG2 4.22Å; Y451-V466 HydrophobicContact CE1-CB 4.03Å; Y451-V466 HydrophobicContact CE1-CG1 3.82Å; Y451-V466 HydrophobicContact CE2-CB 3.43Å; Y451-V466 VanDerWaalsContact CE2-CB 3.43Å; Y451-V466 HydrophobicContact CE2-CG1 3.72Å; Y451-V466 HydrophobicContact CE2-CG2 3.71Å; Y451-V466 HydrophobicContact CG-CB 4.33Å; Y451-V466 PolarHBondContact N-O 2.81Å; Y451-V466 PolarHBondContact O-N 3.37Å; Y451-V466 WeakPolarHBondContact OH-CG1 3.49Å; Y451-T468 WeakPolarHBondContact CD1-OG1 3.34Å; Y451-T468 HydrophobicContact CE1-CG2 4.48Å
452R97.1Very high95.9Very high49 Ų4937.5 Ų37.519%0.18518%0.179CC..EExtended strand (participates in β ladder)trans-79114.2163.5-172.2-168.363.7-178.6-3.5108.8Y59 M61 I442 Y443 S454 F464 L477Y59-R452 PolarHBondContact O-NH1 3.04Å; M61-R452 HydrophobicContact SD-CB 3.54Å; M61-R452 VanDerWaalsContact SD-CB 3.54Å; M61-R452 HydrophobicContact SD-CG 3.71Å; I442-R452 CarbonylContact C-O 3.56Å; I442-R452 VanDerWaalsContact CA-O 3.29Å; I442-R452 WeakPolarHBondContact CA-O 3.5Å; Y443-R452 PolarHBondContact N-O 2.93Å; Y443-R452 PolarHBondContact O-N 2.74Å; R452-S454 PolarHBondContact NE-OG 2.78Å; R452-F464 CarbonylContact C-O 3.44Å; R452-F464 WeakPolarHBondContact CA-O 3.24Å; R452-L477 HydrophobicContact CG-CD1 3.88Å
453F96.9Very high96Very high0 Ų037.1 Ų37.10%018%0.177CC..EExtended strand (participates in β ladder)trans-89.4127.8167.6172-113.7000109.5T430 L433 Q434 N440 I442 Y451 C455 H463 F464 V466T430-F453 HydrophobicContact CG2-CD2 3.92Å; T430-F453 HydrophobicContact CG2-CE2 3.51Å; L433-F453 HydrophobicContact CD2-CB 4.08Å; L433-F453 HydrophobicContact CD2-CD1 3.62Å; L433-F453 HydrophobicContact CD2-CD2 3.77Å; L433-F453 HydrophobicContact CD2-CE1 3.97Å; L433-F453 HydrophobicContact CD2-CE2 4.08Å; L433-F453 HydrophobicContact CD2-CG 3.53Å; L433-F453 HydrophobicContact CD2-CZ 4.18Å; L433-F453 HydrophobicContact CG-CD1 4.37Å; L433-F453 HydrophobicContact CG-CE1 4.37Å; Q434-F453 HydrophobicContact CB-CE1 3.99Å; Q434-F453 HydrophobicContact CB-CZ 4.01Å; N440-F453 HydrophobicContact CB-CE2 3.94Å; N440-F453 WeakPolarHBondContact OD1-CE2 3.22Å; N440-F453 WeakPolarHBondContact OD1-CZ 3.43Å; I442-F453 HydrophobicContact CG1-CD2 4.21Å; Y451-F453 HydrophobicContact CD2-CB 4.09Å; Y451-F453 HydrophobicContact CE2-CB 3.93Å; Y451-F453 PolarHBondContact O-N 3.07Å; F453-C455 HydrophobicContact CE1-CB 4.26Å; F453-C455 HydrophobicContact CZ-CB 4.24Å; F453-H463 CarbonylContact O-C 3.58Å; F453-H463 WeakPolarHBondContact O-CA 3.33Å; F453-F464 HydrophobicContact CD1-CB 4.36Å; F453-F464 AromaticContact CD1-CD2 3.68Å; F453-F464 HydrophobicContact CD1-CD2 3.68Å; F453-F464 HydrophobicContact CD1-CE2 4.47Å; F453-F464 HydrophobicContact CD1-CG 4.44Å; F453-F464 HydrophobicContact CE1-CD2 4.07Å; F453-F464 HydrophobicContact CE1-CE2 4.44Å; F453-F464 PolarHBondContact N-O 2.85Å; F453-F464 PolarHBondContact O-N 2.88Å; F453-V466 HydrophobicContact CB-CG2 3.66Å
454S96.9Very high96Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-124.6116.5177.4-56.60000109.9N440 T441 R452 H463N440-S454 CarbonylContact C-O 3.57Å; N440-S454 WeakPolarHBondContact CA-O 3.41Å; T441-S454 PolarHBondContact N-O 3.33Å; T441-S454 PolarHBondContact O-N 3.17Å; T441-S454 WeakPolarHBondContact OG1-CB 3.42Å; R452-S454 PolarHBondContact NE-OG 2.78Å; S454-H463 WeakPolarHBondContact CB-ND1 3.42Å; S454-H463 PolarHBondContact OG-ND1 3.23Å
455C97.4Very high96.1Very high3 Ų332.7 Ų32.72%0.0216%0.16CC..EExtended strand (participates in β ladder)trans-89.9119.4168.5175.70000109.1C437 F453 P461 Q462C437-C455 HydrophobicContact CB-CB 3.85Å; C437-C455 WeakPolarHBondContact CB-SG 2.97Å; C437-C455 WeakPolarHBondContact SG-CA 3.43Å; C437-C455 WeakPolarHBondContact SG-CB 3.4Å; C437-C455 CovalentContact SG-SG 2.02Å; C437-C455 PolarHBondContact SG-SG 3.11Å; F453-C455 HydrophobicContact CE1-CB 4.26Å; F453-C455 HydrophobicContact CZ-CB 4.24Å; C455-P461 CarbonylContact O-C 3.59Å; C455-P461 WeakPolarHBondContact O-CA 3.26Å; C455-P461 WeakPolarHBondContact O-CB 3.44Å; C455-Q462 PolarHBondContact N-O 2.95Å; C455-Q462 PolarHBondContact O-N 3.11Å
456H97.5Very high96.1Very high50 Ų5032.6 Ų32.623%0.23116%0.159CC..EExtended strand (participates in β ladder)trans-101.1-6.1-179.1-64.6-75.2000113.5Y439 T441 R541 Y542Y439-H456 HydrophobicContact CD1-CB 3.93Å; Y439-H456 HydrophobicContact CG-CB 4.49Å; Y439-H456 PolarHBondContact O-N 2.74Å; T441-H456 PolarHBondContact OG1-NE2 3.31Å; H456-R541 HydrophobicContact CB-CG 4.21Å; H456-R541 WeakPolarHBondContact O-CA 3.28Å; H456-Y542 PolarHBondContact O-N 2.79Å
457G96.5Very high96.2Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans157.5177.1178.500000114.2C437 E438 Y439 R459 F540C437-G457 CarbonylContact C-O 3.46Å; C437-G457 WeakPolarHBondContact CA-O 3.34Å; C437-G457 PolarHBondContact SG-O 3.45Å; E438-G457 PolarHBondContact N-O 3.14Å; Y439-G457 PolarHBondContact N-O 2.97Å; G457-R459 WeakPolarHBondContact CA-O 3.23Å; G457-F540 CarbonylContact C-O 3.5Å; G457-F540 WeakPolarHBondContact CA-O 3.37Å
458P95.6Very high96.1Very high44 Ų4425 Ų2529%0.28612%0.12SC..EExtended strand (participates in β ladder)cis-82.6-8.212.131.6-38.8000115.8E436 F540 Y542E436-P458 WeakPolarHBondContact O-CD 3.18Å; P458-F540 VanDerWaalsContact CA-O 3.28Å; P458-F540 WeakPolarHBondContact CA-O 3.18Å; P458-Y542 WeakPolarHBondContact O-CD2 3.39Å
459R95.1Very high95.9Very high120 Ų12029 Ų2945%0.45315%0.147SC..SBendtrans-80.2174.8171.8-61.9-159.7-63-162.5-4.8111.5E436 G457 Y542E436-R459 IonicContact OE1-CZ 3.36Å; E436-R459 VanDerWaalsContact OE1-CZ 3.28Å; E436-R459 IonicContact OE1-NH1 3.37Å; E436-R459 PolarHBondContact OE1-NH1 3.17Å; E436-R459 IonicContact OE1-NH2 2.69Å; E436-R459 PolarHBondContact OE1-NH2 3.29Å; E436-R459 IonicContact OE2-CZ 3.47Å; E436-R459 VanDerWaalsContact OE2-CZ 3.27Å; E436-R459 IonicContact OE2-NE 2.72Å; E436-R459 IonicContact OE2-NH1 3.74Å; E436-R459 PolarHBondContact OE2-NH1 2.93Å; E436-R459 IonicContact OE2-NH2 3.52Å; G457-R459 WeakPolarHBondContact CA-O 3.23Å; R459-Y542 WeakPolarHBondContact O-CB 3.22Å
460I96.3Very high95.7Very high40 Ų4030.2 Ų30.221%0.20515%0.154CC..SBendtrans-50.5130.5174.8-63.8179.3000109.4N480 F483 I487 Y542I460-N480 HydrophobicContact CG2-CB 3.48Å; I460-N480 VanDerWaalsContact CG2-CB 3.48Å; I460-F483 HydrophobicContact CD1-CD1 4.37Å; I460-F483 HydrophobicContact CD1-CE1 4.29Å; I460-F483 HydrophobicContact CG1-CE1 4.27Å; I460-F483 HydrophobicContact CG2-CD1 3.9Å; I460-F483 HydrophobicContact CG2-CE1 4.26Å; I460-I487 HydrophobicContact CD1-CD1 4.24Å; I460-Y542 HydrophobicContact CG1-CE2 4.31Å
461P97.2Very high95.2Very high10 Ų1031.6 Ų31.67%0.06516%0.16CC..  trans-57.3145-176.3-2936.5000113.9P56 C455 N480P56-P461 HydrophobicContact CB-CB 4.34Å; P56-P461 HydrophobicContact CB-CG 3.81Å; P56-P461 HydrophobicContact CG-CG 4.05Å; C455-P461 CarbonylContact O-C 3.59Å; C455-P461 WeakPolarHBondContact O-CA 3.26Å; C455-P461 WeakPolarHBondContact O-CB 3.44Å; P461-N480 WeakPolarHBondContact O-CB 3.36Å; P461-N480 PolarHBondContact O-ND2 2.97Å
462Q97.3Very high95Very high54 Ų5438.2 Ų38.225%0.25219%0.189SC..EExtended strand (participates in β ladder)trans-142.6145177.8-63.5-172.6-46.600111C455 F464 E478C455-Q462 PolarHBondContact N-O 2.95Å; C455-Q462 PolarHBondContact O-N 3.11Å; Q462-F464 HydrophobicContact CB-CD2 4.43Å; Q462-F464 HydrophobicContact CB-CE2 3.52Å; Q462-F464 HydrophobicContact CB-CZ 3.87Å; Q462-E478 CarbonylContact C-O 3.58Å; Q462-E478 WeakPolarHBondContact CA-O 3.38Å
463H97.3Very high94.9Very high5 Ų539.4 Ų39.42%0.02320%0.195CC..EExtended strand (participates in β ladder)trans-125.8133.9-176.8-55-86.3000110.6F453 S454 L477 E478F453-H463 CarbonylContact O-C 3.58Å; F453-H463 WeakPolarHBondContact O-CA 3.33Å; S454-H463 WeakPolarHBondContact CB-ND1 3.42Å; S454-H463 PolarHBondContact OG-ND1 3.23Å; H463-L477 HydrophobicContact CB-CB 4.18Å; H463-L477 WeakPolarHBondContact O-CB 3.48Å; H463-L477 PolarHBondContact O-N 2.82Å; H463-E478 HydrophobicContact CB-CB 4.18Å; H463-E478 PolarHBondContact N-O 3.1Å; H463-E478 PolarHBondContact O-N 3.3Å
464F97.1Very high94.8Very high15 Ų1543.2 Ų43.27%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-135.8149.5-176.7-55.2-91000110.7R452 F453 Q462 V466 K473 R475 V476R452-F464 CarbonylContact C-O 3.44Å; R452-F464 WeakPolarHBondContact CA-O 3.24Å; F453-F464 HydrophobicContact CD1-CB 4.36Å; F453-F464 AromaticContact CD1-CD2 3.68Å; F453-F464 HydrophobicContact CD1-CD2 3.68Å; F453-F464 HydrophobicContact CD1-CE2 4.47Å; F453-F464 HydrophobicContact CD1-CG 4.44Å; F453-F464 HydrophobicContact CE1-CD2 4.07Å; F453-F464 HydrophobicContact CE1-CE2 4.44Å; F453-F464 PolarHBondContact N-O 2.85Å; F453-F464 PolarHBondContact O-N 2.88Å; Q462-F464 HydrophobicContact CB-CD2 4.43Å; Q462-F464 HydrophobicContact CB-CE2 3.52Å; Q462-F464 HydrophobicContact CB-CZ 3.87Å; F464-V466 HydrophobicContact CB-CG2 4.43Å; F464-K473 HydrophobicContact CB-CD 4.43Å; F464-K473 HydrophobicContact CB-CG 4.34Å; F464-K473 HydrophobicContact CD1-CD 3.84Å; F464-K473 HydrophobicContact CD1-CG 4.49Å; F464-K473 HydrophobicContact CD2-CD 4.43Å; F464-K473 HydrophobicContact CE1-CD 4.15Å; F464-K473 HydrophobicContact CG-CD 3.98Å; F464-K473 HydrophobicContact CG-CG 4.43Å; F464-R475 CarbonylContact C-O 3.54Å; F464-R475 WeakPolarHBondContact CA-O 3.17Å; F464-V476 HydrophobicContact CD1-CB 4.36Å; F464-V476 HydrophobicContact CD1-CG1 4.43Å; F464-V476 HydrophobicContact CD1-CG2 4Å; F464-V476 HydrophobicContact CE1-CB 4.46Å; F464-V476 HydrophobicContact CE1-CG1 4.24Å; F464-V476 HydrophobicContact CE1-CG2 3.89Å
465L97.6Very high94.8Very high0 Ų046.8 Ų46.80%023%0.229CC..EExtended strand (participates in β ladder)trans-90.6133.6164.5-174.366000109.1W63 L83 I474 R475 L477W63-L465 HydrophobicContact CH2-CD1 3.78Å; W63-L465 HydrophobicContact CZ2-CD1 3.97Å; L83-L465 HydrophobicContact CD1-CD1 4.43Å; L83-L465 HydrophobicContact CD1-CD2 3.85Å; L83-L465 HydrophobicContact CD2-CD2 3.48Å; L83-L465 VanDerWaalsContact CD2-CD2 3.48Å; L83-L465 HydrophobicContact CG-CD2 4.32Å; L465-I474 HydrophobicContact CB-CG1 4.1Å; L465-I474 HydrophobicContact CD2-CD1 3.65Å; L465-I474 HydrophobicContact CD2-CG1 3.92Å; L465-I474 HydrophobicContact CG-CD1 3.86Å; L465-I474 HydrophobicContact CG-CG1 3.81Å; L465-I474 WeakPolarHBondContact O-CG1 3.35Å; L465-I474 PolarHBondContact O-N 2.89Å; L465-R475 HydrophobicContact CB-CB 3.92Å; L465-R475 HydrophobicContact CD2-CB 4.43Å; L465-R475 PolarHBondContact N-O 2.89Å; L465-R475 PolarHBondContact O-N 2.96Å; L465-L477 HydrophobicContact CB-CD1 4.08Å; L465-L477 HydrophobicContact CB-CD2 4.11Å; L465-L477 HydrophobicContact CB-CG 4.16Å
466V96.3Very high94.7Very high0 Ų050.6 Ų50.60%025%0.252CS..EExtended strand (participates in β ladder)trans-130.2139.4-175.3-173.90000110.1L433 Y450 Y451 F453 F464 K472 K473L433-V466 HydrophobicContact CD2-CG2 3.99Å; Y450-V466 CarbonylContact C-O 3.49Å; Y450-V466 VanDerWaalsContact CA-O 3.29Å; Y450-V466 WeakPolarHBondContact CA-O 3.26Å; Y451-V466 HydrophobicContact CD1-CB 4.39Å; Y451-V466 HydrophobicContact CD2-CB 3.85Å; Y451-V466 HydrophobicContact CD2-CG2 4.22Å; Y451-V466 HydrophobicContact CE1-CB 4.03Å; Y451-V466 HydrophobicContact CE1-CG1 3.82Å; Y451-V466 HydrophobicContact CE2-CB 3.43Å; Y451-V466 VanDerWaalsContact CE2-CB 3.43Å; Y451-V466 HydrophobicContact CE2-CG1 3.72Å; Y451-V466 HydrophobicContact CE2-CG2 3.71Å; Y451-V466 HydrophobicContact CG-CB 4.33Å; Y451-V466 PolarHBondContact N-O 2.81Å; Y451-V466 PolarHBondContact O-N 3.37Å; Y451-V466 WeakPolarHBondContact OH-CG1 3.49Å; F453-V466 HydrophobicContact CB-CG2 3.66Å; F464-V466 HydrophobicContact CB-CG2 4.43Å; V466-K472 WeakPolarHBondContact CA-O 3.47Å; V466-K472 WeakPolarHBondContact CG1-O 3.13Å; V466-K473 HydrophobicContact CG2-CG 4.32Å
467E95Very high94.7Very high53 Ų5349.1 Ų49.125%0.24825%0.246CC..EExtended strand (participates in β ladder)trans-87.2127.1170.4-178.4-178.7-12700110Y450 T470 F471 K472 I474Y450-E467 HydrophobicContact CD1-CB 4.12Å; Y450-E467 HydrophobicContact CD1-CG 4.46Å; Y450-E467 HydrophobicContact CE1-CB 4Å; Y450-E467 HydrophobicContact CE1-CG 4.06Å; E467-T470 WeakPolarHBondContact OE2-CB 3.31Å; E467-T470 WeakPolarHBondContact OE2-CG2 3.41Å; E467-T470 PolarHBondContact OE2-OG1 3.47Å; E467-F471 VanDerWaalsContact O-CA 3.32Å; E467-F471 WeakPolarHBondContact O-CA 3.38Å; E467-F471 PolarHBondContact O-N 3.5Å; E467-K472 PolarHBondContact N-O 2.85Å; E467-K472 VanDerWaalsContact N-O 3.1Å; E467-I474 HydrophobicContact CB-CG2 4.11Å
468T91.4Very high94.7Very high9 Ų951.6 Ų51.66%0.05526%0.257CS..THydrogen-bonded Turntrans-69-38.6-171.7-54.40000113Y402 F444 A448 S449 Y451 F471Y402-T468 HydrophobicContact CE1-CG2 4.33Å; F444-T468 HydrophobicContact CE1-CG2 4.46Å; A448-T468 WeakPolarHBondContact O-CB 3.49Å; A448-T468 WeakPolarHBondContact O-CG2 3.42Å; A448-T468 PolarHBondContact O-OG1 2.81Å; S449-T468 PolarHBondContact O-N 3.47Å; S449-T468 PolarHBondContact O-OG1 3.01Å; Y451-T468 WeakPolarHBondContact CD1-OG1 3.34Å; Y451-T468 HydrophobicContact CE1-CG2 4.48Å; T468-F471 WeakPolarHBondContact O-CD1 3.17Å; T468-F471 WeakPolarHBondContact O-CE1 3.38Å
469S89.1Confident94.7Very high93 Ų9353 Ų5365%0.6526%0.262SS*.THydrogen-bonded Turntrans-67.4-38.8-175.758.90000112.8
470T89.4Confident94.8Very high61 Ų6147.4 Ų47.437%0.37424%0.241SC..THydrogen-bonded Turntrans-98.6-13.3-177.363.50000113.2E467 K472E467-T470 WeakPolarHBondContact OE2-CB 3.31Å; E467-T470 WeakPolarHBondContact OE2-CG2 3.41Å; E467-T470 PolarHBondContact OE2-OG1 3.47Å; T470-K472 PolarHBondContact O-N 2.56Å; T470-K472 PolarHBondContact OG1-N 3.18Å
471F87.1Confident94.8Very high57 Ų5750.9 Ų50.925%0.2526%0.255CS..THydrogen-bonded Turntrans54.631-171.3-54.3-76.8000113.1L429 E467 T468L429-F471 HydrophobicContact CD1-CD1 4.45Å; L429-F471 HydrophobicContact CD1-CE1 3.94Å; L429-F471 HydrophobicContact CD2-CD1 3.77Å; L429-F471 HydrophobicContact CD2-CE1 3.22Å; L429-F471 HydrophobicContact CD2-CZ 3.82Å; L429-F471 HydrophobicContact CG-CE1 4.15Å; E467-F471 VanDerWaalsContact O-CA 3.32Å; E467-F471 WeakPolarHBondContact O-CA 3.38Å; E467-F471 PolarHBondContact O-N 3.5Å; T468-F471 WeakPolarHBondContact O-CD1 3.17Å; T468-F471 WeakPolarHBondContact O-CE1 3.38Å
472K91.2Very high94.7Very high139 Ų13956.3 Ų56.360%0.60429%0.287SS*.EExtended strand (participates in β ladder)trans-101.7134.8-178.8-69.5-176.9179.3-179.60111.5V466 E467 T470 I474V466-K472 WeakPolarHBondContact CA-O 3.47Å; V466-K472 WeakPolarHBondContact CG1-O 3.13Å; E467-K472 PolarHBondContact N-O 2.85Å; E467-K472 VanDerWaalsContact N-O 3.1Å; T470-K472 PolarHBondContact O-N 2.56Å; T470-K472 PolarHBondContact OG1-N 3.18Å; K472-I474 PolarHBondContact O-N 3.22Å
473K95.3Very high94.7Very high74 Ų7454 Ų5432%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-64.8119.2166.4-58.8177.5-173.7168.20107.9L433 F464 V466L433-K473 HydrophobicContact CD1-CD 4.35Å; L433-K473 HydrophobicContact CD1-CG 3.7Å; L433-K473 HydrophobicContact CG-CG 4.35Å; L433-K473 WeakPolarHBondContact O-CE 3.39Å; L433-K473 PolarHBondContact O-NZ 2.87Å; F464-K473 HydrophobicContact CB-CD 4.43Å; F464-K473 HydrophobicContact CB-CG 4.34Å; F464-K473 HydrophobicContact CD1-CD 3.84Å; F464-K473 HydrophobicContact CD1-CG 4.49Å; F464-K473 HydrophobicContact CD2-CD 4.43Å; F464-K473 HydrophobicContact CE1-CD 4.15Å; F464-K473 HydrophobicContact CG-CD 3.98Å; F464-K473 HydrophobicContact CG-CG 4.43Å; V466-K473 HydrophobicContact CG2-CG 4.32Å
474I95.3Very high94.7Very high81 Ų8156 Ų5642%0.41529%0.291SS..EExtended strand (participates in β ladder)trans-104.3-19.7-179.360.4168.3000112.4Y450 L465 E467 K472Y450-I474 HydrophobicContact CD1-CD1 3.65Å; Y450-I474 HydrophobicContact CE1-CD1 3.55Å; L465-I474 HydrophobicContact CB-CG1 4.1Å; L465-I474 HydrophobicContact CD2-CD1 3.65Å; L465-I474 HydrophobicContact CD2-CG1 3.92Å; L465-I474 HydrophobicContact CG-CD1 3.86Å; L465-I474 HydrophobicContact CG-CG1 3.81Å; L465-I474 WeakPolarHBondContact O-CG1 3.35Å; L465-I474 PolarHBondContact O-N 2.89Å; E467-I474 HydrophobicContact CB-CG2 4.11Å; K472-I474 PolarHBondContact O-N 3.22Å
475R95.3Very high94.6Very high74 Ų7459.5 Ų59.528%0.27931%0.31SS..EExtended strand (participates in β ladder)trans-152.5141177.2-163.2179.3-69.3-172.3-3.3111.1Y69 N86 F464 L465 L477Y69-R475 PolarHBondContact OH-NH1 3.48Å; N86-R475 PolarHBondContact OD1-NH2 3.25Å; F464-R475 CarbonylContact C-O 3.54Å; F464-R475 WeakPolarHBondContact CA-O 3.17Å; L465-R475 HydrophobicContact CB-CB 3.92Å; L465-R475 HydrophobicContact CD2-CB 4.43Å; L465-R475 PolarHBondContact N-O 2.89Å; L465-R475 PolarHBondContact O-N 2.96Å; R475-L477 HydrophobicContact CG-CD2 4.35Å
476V96.8Very high94.5Very high83 Ų8361.5 Ų61.550%0.50333%0.327SS..EExtended strand (participates in β ladder)trans-82.5124.2163.4-175.80000107.3F464 D479F464-V476 HydrophobicContact CD1-CB 4.36Å; F464-V476 HydrophobicContact CD1-CG1 4.43Å; F464-V476 HydrophobicContact CD1-CG2 4Å; F464-V476 HydrophobicContact CE1-CB 4.46Å; F464-V476 HydrophobicContact CE1-CG1 4.24Å; F464-V476 HydrophobicContact CE1-CG2 3.89Å; V476-D479 HydrophobicContact CG1-CB 3.92Å
477L96.5Very high94.5Very high20 Ų2062.2 Ų62.211%0.10533%0.33CS..EExtended strand (participates in β ladder)trans-96.6-41.9-179-62.1175.5000111.1Y59 M61 R452 H463 L465 R475Y59-L477 HydrophobicContact CD1-CB 3.76Å; Y59-L477 HydrophobicContact CD1-CD1 3.74Å; Y59-L477 HydrophobicContact CD1-CD2 4.44Å; Y59-L477 HydrophobicContact CD1-CG 4.18Å; Y59-L477 HydrophobicContact CD2-CB 3.67Å; Y59-L477 WeakPolarHBondContact CD2-O 3.29Å; Y59-L477 HydrophobicContact CE1-CB 3.92Å; Y59-L477 HydrophobicContact CE1-CD1 3.82Å; Y59-L477 HydrophobicContact CE1-CD2 3.81Å; Y59-L477 HydrophobicContact CE1-CG 4.05Å; Y59-L477 HydrophobicContact CE2-CB 3.85Å; Y59-L477 HydrophobicContact CE2-CD2 4.41Å; Y59-L477 WeakPolarHBondContact CE2-O 3.28Å; Y59-L477 HydrophobicContact CG-CB 3.6Å; Y59-L477 HydrophobicContact CG-CD1 4.38Å; M61-L477 HydrophobicContact SD-CD1 4.14Å; R452-L477 HydrophobicContact CG-CD1 3.88Å; H463-L477 HydrophobicContact CB-CB 4.18Å; H463-L477 WeakPolarHBondContact O-CB 3.48Å; H463-L477 PolarHBondContact O-N 2.82Å; L465-L477 HydrophobicContact CB-CD1 4.08Å; L465-L477 HydrophobicContact CB-CD2 4.11Å; L465-L477 HydrophobicContact CB-CG 4.16Å; R475-L477 HydrophobicContact CG-CD2 4.35Å
478E96.9Very high94.5Very high52 Ų5263 Ų6324%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-154.7125.2175.3172.157.9-98.100108.1A57 Y59 Q462 H463 N480A57-E478 HydrophobicContact CB-CG 4.26Å; Y59-E478 HydrophobicContact CD2-CB 4.22Å; Q462-E478 CarbonylContact C-O 3.58Å; Q462-E478 WeakPolarHBondContact CA-O 3.38Å; H463-E478 HydrophobicContact CB-CB 4.18Å; H463-E478 PolarHBondContact N-O 3.1Å; H463-E478 PolarHBondContact O-N 3.3Å; E478-N480 VanDerWaalsContact OE1-CA 3.28Å; E478-N480 WeakPolarHBondContact OE1-CA 3.12Å; E478-N480 PolarHBondContact OE1-N 3.46Å
479D96.4Very high94.6Very high73 Ų7368.8 Ų68.839%0.3938%0.377SS..  trans-109-3.9-17969.16000113.9V476 K481V476-D479 HydrophobicContact CG1-CB 3.92Å; D479-K481 VanDerWaalsContact C-N 3.26Å; D479-K481 PolarHBondContact O-N 3.07Å; D479-K481 VanDerWaalsContact OD1-CB 3.32Å; D479-K481 WeakPolarHBondContact OD1-CB 3.38Å; D479-K481 PolarHBondContact OD1-N 2.93Å
480N96.9Very high95Very high2 Ų264.7 Ų64.71%0.01135%0.348CS..  trans5831.3-179.1-85.1-71.9000114.3P56 A57 I460 P461 E478 V482 F483 S484P56-N480 WeakPolarHBondContact CA-OD1 3.38Å; A57-N480 PolarHBondContact N-OD1 2.97Å; A57-N480 PolarHBondContact O-ND2 3.02Å; A57-N480 PolarHBondContact O-OD1 3.11Å; I460-N480 HydrophobicContact CG2-CB 3.48Å; I460-N480 VanDerWaalsContact CG2-CB 3.48Å; P461-N480 WeakPolarHBondContact O-CB 3.36Å; P461-N480 PolarHBondContact O-ND2 2.97Å; E478-N480 VanDerWaalsContact OE1-CA 3.28Å; E478-N480 WeakPolarHBondContact OE1-CA 3.12Å; E478-N480 PolarHBondContact OE1-N 3.46Å; N480-V482 PolarHBondContact O-N 2.93Å; N480-F483 HydrophobicContact CB-CB 4.44Å; N480-F483 PolarHBondContact O-N 3.01Å; N480-S484 WeakPolarHBondContact O-CB 3.29Å; N480-S484 PolarHBondContact O-N 2.82Å
481K96.5Very high95.4Very high114 Ų11465.6 Ų65.650%0.49635%0.348SS..Hα-helixtrans-60.6-41.3177.7-178.2161.5176.242.30113.1D479 F483 S484 D485D479-K481 VanDerWaalsContact C-N 3.26Å; D479-K481 PolarHBondContact O-N 3.07Å; D479-K481 VanDerWaalsContact OD1-CB 3.32Å; D479-K481 WeakPolarHBondContact OD1-CB 3.38Å; D479-K481 PolarHBondContact OD1-N 2.93Å; K481-F483 PolarHBondContact O-N 3.02Å; K481-S484 PolarHBondContact O-N 2.82Å; K481-D485 WeakPolarHBondContact CG-OD2 3.49Å; K481-D485 VanDerWaalsContact NZ-CG 3.3Å; K481-D485 IonicContact NZ-OD1 3.51Å; K481-D485 PolarHBondContact NZ-OD1 3.18Å; K481-D485 IonicContact NZ-OD2 3.01Å; K481-D485 PolarHBondContact NZ-OD2 3.27Å; K481-D485 WeakPolarHBondContact O-CB 3.29Å; K481-D485 PolarHBondContact O-N 3.29Å
482V95Very high95.9Very high123 Ų12364.8 Ų64.875%0.74535%0.345SS*.Hα-helixtrans-58.8-47.6177.7176.60000111.2N480 D485 A486N480-V482 PolarHBondContact O-N 2.93Å; V482-D485 PolarHBondContact O-N 3.27Å; V482-A486 WeakPolarHBondContact O-CB 3.38Å; V482-A486 PolarHBondContact O-N 3.26Å
483F96.3Very high96.2Very high6 Ų659.2 Ų59.23%0.02632%0.323CS..Hα-helixtrans-64.2-45.4176.2169.1-105.3000111.6L54 K55 P56 I460 N480 K481 D485 A486 I487 Y542 V544L54-F483 WeakPolarHBondContact O-CE2 3.48Å; K55-F483 VanDerWaalsContact C-CD2 3.46Å; P56-F483 HydrophobicContact CB-CD1 4.24Å; P56-F483 HydrophobicContact CB-CE1 4.47Å; P56-F483 HydrophobicContact CG-CD1 3.92Å; P56-F483 HydrophobicContact CG-CE1 3.67Å; P56-F483 HydrophobicContact CG-CE2 4.47Å; P56-F483 HydrophobicContact CG-CG 4.42Å; P56-F483 HydrophobicContact CG-CZ 3.97Å; I460-F483 HydrophobicContact CD1-CD1 4.37Å; I460-F483 HydrophobicContact CD1-CE1 4.29Å; I460-F483 HydrophobicContact CG1-CE1 4.27Å; I460-F483 HydrophobicContact CG2-CD1 3.9Å; I460-F483 HydrophobicContact CG2-CE1 4.26Å; N480-F483 HydrophobicContact CB-CB 4.44Å; N480-F483 PolarHBondContact O-N 3.01Å; K481-F483 PolarHBondContact O-N 3.02Å; F483-D485 VanDerWaalsContact C-N 3.32Å; F483-D485 PolarHBondContact O-N 3.07Å; F483-A486 PolarHBondContact O-N 3.29Å; F483-I487 HydrophobicContact CD2-CG2 4.17Å; F483-I487 HydrophobicContact CE1-CD1 3.8Å; F483-I487 HydrophobicContact CE2-CG2 3.57Å; F483-I487 HydrophobicContact CZ-CD1 3.78Å; F483-I487 HydrophobicContact CZ-CG1 4.46Å; F483-I487 HydrophobicContact CZ-CG2 3.87Å; F483-I487 WeakPolarHBondContact O-CG1 3.43Å; F483-I487 PolarHBondContact O-N 2.82Å; F483-I487 VanDerWaalsContact O-N 3.14Å; F483-Y542 AromaticContact CE1-CE1 3.63Å; F483-Y542 HydrophobicContact CE1-CE1 3.63Å; F483-Y542 AromaticContact CZ-CE1 3.78Å; F483-Y542 HydrophobicContact CZ-CE1 3.78Å; F483-V544 HydrophobicContact CE2-CG2 4.47Å; F483-V544 HydrophobicContact CZ-CG1 4.17Å; F483-V544 HydrophobicContact CZ-CG2 4.42Å
484S96.6Very high96.3Very high46 Ų4659.5 Ų59.532%0.32233%0.331SS..Hα-helixtrans-58.1-43.4178.1-174.60000112.4N480 K481 I487 A488N480-S484 WeakPolarHBondContact O-CB 3.29Å; N480-S484 PolarHBondContact O-N 2.82Å; K481-S484 PolarHBondContact O-N 2.82Å; S484-I487 WeakPolarHBondContact O-CG1 3.44Å; S484-A488 PolarHBondContact O-N 3.31Å
485D96.4Very high96.4Very high90 Ų9058.3 Ų58.348%0.48132%0.324SS..Hα-helixtrans-69.7-37.3179-66.3-16.8000110.2K481 V482 F483 I487 A488K481-D485 WeakPolarHBondContact CG-OD2 3.49Å; K481-D485 VanDerWaalsContact NZ-CG 3.3Å; K481-D485 IonicContact NZ-OD1 3.51Å; K481-D485 PolarHBondContact NZ-OD1 3.18Å; K481-D485 IonicContact NZ-OD2 3.01Å; K481-D485 PolarHBondContact NZ-OD2 3.27Å; K481-D485 WeakPolarHBondContact O-CB 3.29Å; K481-D485 PolarHBondContact O-N 3.29Å; V482-D485 PolarHBondContact O-N 3.27Å; F483-D485 VanDerWaalsContact C-N 3.32Å; F483-D485 PolarHBondContact O-N 3.07Å; D485-I487 VanDerWaalsContact C-N 3.33Å; D485-I487 PolarHBondContact O-N 2.87Å; D485-A488 WeakPolarHBondContact O-CB 3.29Å; D485-A488 PolarHBondContact O-N 3.32Å
486A95.3Very high96.5Very high42 Ų4258.2 Ų58.235%0.34732%0.324SS..Hα-helixtrans-65.6-29.9178.700000114.3L54 V482 F483L54-A486 HydrophobicContact CD2-CB 3.9Å; V482-A486 WeakPolarHBondContact O-CB 3.38Å; V482-A486 PolarHBondContact O-N 3.26Å; F483-A486 PolarHBondContact O-N 3.29Å
487I95.8Very high96.5Very high14 Ų1457 Ų577%0.07231%0.31CS..THydrogen-bonded Turntrans-96.1-2.9178.367.8166.2000113.8L54 I460 F483 S484 D485 D489 I490 M492 Y542L54-I487 HydrophobicContact CD2-CG2 4.04Å; I460-I487 HydrophobicContact CD1-CD1 4.24Å; F483-I487 HydrophobicContact CD2-CG2 4.17Å; F483-I487 HydrophobicContact CE1-CD1 3.8Å; F483-I487 HydrophobicContact CE2-CG2 3.57Å; F483-I487 HydrophobicContact CZ-CD1 3.78Å; F483-I487 HydrophobicContact CZ-CG1 4.46Å; F483-I487 HydrophobicContact CZ-CG2 3.87Å; F483-I487 WeakPolarHBondContact O-CG1 3.43Å; F483-I487 PolarHBondContact O-N 2.82Å; F483-I487 VanDerWaalsContact O-N 3.14Å; S484-I487 WeakPolarHBondContact O-CG1 3.44Å; D485-I487 VanDerWaalsContact C-N 3.33Å; D485-I487 PolarHBondContact O-N 2.87Å; I487-D489 VanDerWaalsContact C-N 3.31Å; I487-D489 PolarHBondContact O-N 3.21Å; I487-I490 HydrophobicContact CG2-CD1 4.44Å; I487-I490 WeakPolarHBondContact O-CB 3.15Å; I487-I490 PolarHBondContact O-N 3.16Å; I487-M492 HydrophobicContact CB-SD 4.5Å; I487-M492 HydrophobicContact CD1-CE 4.45Å; I487-M492 HydrophobicContact CD1-CG 4.42Å; I487-Y542 WeakPolarHBondContact CD1-OH 3.32Å
488A95.4Very high96.5Very high69 Ų6956.8 Ų56.857%0.5731%0.313SS*.THydrogen-bonded Turntrans-60.1-38.6-169.200000113.4S484 D485S484-A488 PolarHBondContact O-N 3.31Å; D485-A488 WeakPolarHBondContact O-CB 3.29Å; D485-A488 PolarHBondContact O-N 3.32Å
489D94.3Very high96.6Very high132 Ų13257.5 Ų57.571%0.70632%0.321SS*.THydrogen-bonded Turntrans-90.3-2.8179.6-61.8-35.6000113I487I487-D489 VanDerWaalsContact C-N 3.31Å; I487-D489 PolarHBondContact O-N 3.21Å
490I96.6Very high96.7Very high7 Ų755 Ų554%0.03631%0.307CS..SBendtrans-86.8132.7179-54.4-179.7000109.2K42 Y44 L54 I487 M492K42-I490 HydrophobicContact CD-CG1 3.95Å; K42-I490 HydrophobicContact CG-CG1 4.25Å; K42-I490 CarbonylContact O-C 3.56Å; K42-I490 WeakPolarHBondContact O-CA 3.39Å; Y44-I490 HydrophobicContact CD2-CD1 4.44Å; Y44-I490 HydrophobicContact CD2-CG2 4.22Å; Y44-I490 HydrophobicContact CG-CG2 4.49Å; L54-I490 HydrophobicContact CD1-CD1 4.36Å; L54-I490 HydrophobicContact CD2-CD1 4.3Å; I487-I490 HydrophobicContact CG2-CD1 4.44Å; I487-I490 WeakPolarHBondContact O-CB 3.15Å; I487-I490 PolarHBondContact O-N 3.16Å; I490-M492 VanDerWaalsContact C-N 3.31Å; I490-M492 HydrophobicContact CB-SD 4.29Å; I490-M492 HydrophobicContact CG2-SD 3.92Å; I490-M492 PolarHBondContact O-N 3.46Å
491Q97.1Very high96.7Very high80 Ų8062.6 Ų62.637%0.37434%0.34SS..BIsolated β-bridgetrans-70.987.5171.9-64.7-58.2-56.100111.2V41 K42 M43 P515 S552V41-Q491 HydrophobicContact CB-CG 4.49Å; V41-Q491 HydrophobicContact CG1-CB 4.39Å; V41-Q491 VanDerWaalsContact CG1-CD 3.48Å; V41-Q491 HydrophobicContact CG1-CG 3.01Å; K42-Q491 PolarHBondContact O-N 2.94Å; M43-Q491 HydrophobicContact CE-CB 4.07Å; M43-Q491 HydrophobicContact SD-CB 3.79Å; M43-Q491 HydrophobicContact SD-CG 3.88Å; Q491-P515 HydrophobicContact CB-CB 3.74Å; Q491-P515 HydrophobicContact CB-CG 3.68Å; Q491-P515 HydrophobicContact CG-CB 4.5Å; Q491-P515 WeakPolarHBondContact O-CG 3.27Å; Q491-S552 WeakPolarHBondContact O-CB 3.39Å; Q491-S552 PolarHBondContact O-OG 3.43Å
492M97.3Very high96.5Very high40 Ų4058.1 Ų58.120%0.19732%0.322CS..PPolyproline II helixtrans-75.8140.3178.1-63-60.8-76.600111.1Y44 I487 I490 V544 T548Y44-M492 HydrophobicContact CD2-SD 3.96Å; I487-M492 HydrophobicContact CB-SD 4.5Å; I487-M492 HydrophobicContact CD1-CE 4.45Å; I487-M492 HydrophobicContact CD1-CG 4.42Å; I490-M492 VanDerWaalsContact C-N 3.31Å; I490-M492 HydrophobicContact CB-SD 4.29Å; I490-M492 HydrophobicContact CG2-SD 3.92Å; I490-M492 PolarHBondContact O-N 3.46Å; M492-V544 HydrophobicContact CE-CG1 3.54Å; M492-T548 HydrophobicContact CE-CG2 3.67Å; M492-T548 HydrophobicContact SD-CG2 4.2Å
493P97.7Very high96.3Very high21 Ų2155.6 Ų55.614%0.13632%0.32CS..PPolyproline II helixtrans-66.5159.1173.729.8-34.7000111.1Y512 L513 T548 A551P493-Y512 HydrophobicContact CB-CD1 4.35Å; P493-Y512 HydrophobicContact CG-CD1 3.93Å; P493-L513 VanDerWaalsContact CA-O 3.25Å; P493-L513 WeakPolarHBondContact CA-O 3.37Å; P493-L513 WeakPolarHBondContact CB-O 3.44Å; P493-T548 HydrophobicContact CG-CG2 3.85Å; P493-A551 HydrophobicContact CB-CB 3.66Å; P493-A551 HydrophobicContact CG-CB 4.17Å
494T97.3Very high96.2Very high80 Ų8062.1 Ų62.149%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-99.9154.4173.259.80000110.6L513T494-L513 PolarHBondContact N-O 3.22Å; T494-L513 PolarHBondContact O-N 3.09Å
495M97.6Very high96.2Very high56 Ų5661.3 Ų61.328%0.27634%0.335SS..EExtended strand (participates in β ladder)trans-109.7117.2-178.1-177.999.8-68.900110.2R497 Q510 M511 Y512M495-R497 HydrophobicContact CG-CG 4.28Å; M495-Q510 HydrophobicContact CE-CB 4.17Å; M495-Q510 HydrophobicContact CE-CG 4.33Å; M495-Q510 HydrophobicContact SD-CB 4.15Å; M495-Q510 HydrophobicContact SD-CG 4.36Å; M495-M511 WeakPolarHBondContact CE-O 3.46Å; M495-Y512 HydrophobicContact CE-CD1 3.88Å; M495-Y512 HydrophobicContact CE-CD2 3.48Å; M495-Y512 VanDerWaalsContact CE-CD2 3.48Å; M495-Y512 HydrophobicContact CE-CE1 4.13Å; M495-Y512 HydrophobicContact CE-CE2 3.74Å; M495-Y512 HydrophobicContact CE-CG 3.55Å; M495-Y512 HydrophobicContact SD-CE1 4.39Å; M495-Y512 HydrophobicContact SD-CE2 4.21Å
496R97.4Very high96.2Very high73 Ų7361.5 Ų61.528%0.27534%0.336SS..EExtended strand (participates in β ladder)trans-97.8136.9168.9179.5176.7-67.1-167-2.8109.2Q510 M511 L513 E519R496-Q510 CarbonylContact O-C 3.54Å; R496-Q510 WeakPolarHBondContact O-CA 3.32Å; R496-M511 HydrophobicContact CB-CB 4.4Å; R496-M511 PolarHBondContact N-O 2.8Å; R496-M511 PolarHBondContact O-N 2.76Å; R496-L513 HydrophobicContact CB-CD1 3.77Å; R496-L513 HydrophobicContact CB-CG 4.27Å; R496-E519 IonicContact CZ-OE1 2.66Å; R496-E519 IonicContact NH1-OE1 3.27Å; R496-E519 PolarHBondContact NH1-OE1 3.12Å; R496-E519 IonicContact NH2-OE1 2.86Å; R496-E519 PolarHBondContact NH2-OE1 3.18Å
497R97.5Very high96.3Very high58 Ų5859.5 Ų59.522%0.21932%0.319CS..EExtended strand (participates in β ladder)trans-129.6148.3172.5-65.2-173.2-179.985.30.5109.7M495 Y509 Q510 D539M495-R497 HydrophobicContact CG-CG 4.28Å; R497-Y509 WeakPolarHBondContact CA-O 3.08Å; R497-Q510 HydrophobicContact CG-CB 3.81Å; R497-D539 PolarHBondContact NE-O 3Å; R497-D539 PolarHBondContact NH2-O 2.74Å
498G97.1Very high96.5Very high15 Ų1560.8 Ų60.816%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-167.9-169.7177.600000111.5Y509G498-Y509 VanDerWaalsContact C-CD1 3.47Å; G498-Y509 VanDerWaalsContact C-CE1 3.41Å; G498-Y509 PolarHBondContact N-O 2.85Å; G498-Y509 VanDerWaalsContact N-O 3.1Å; G498-Y509 WeakPolarHBondContact O-CD1 3.17Å; G498-Y509 PolarHBondContact O-N 2.97Å
499T97.9Very high96.6Very high67 Ų6758.8 Ų58.841%0.41130%0.301SS..EExtended strand (participates in β ladder)trans-124150.317655.80000111.2L507 W508T499-L507 CarbonylContact C-O 3.57Å; T499-L507 WeakPolarHBondContact CA-O 3.3Å; T499-W508 HydrophobicContact CG2-CD2 3.73Å; T499-W508 HydrophobicContact CG2-CE3 4.19Å; T499-W508 HydrophobicContact CG2-CG 4.07Å; T499-W508 HydrophobicContact CG2-CH2 4.45Å; T499-W508 HydrophobicContact CG2-CZ2 4.03Å
500L97.8Very high96.8Very high21 Ų2152.8 Ų52.811%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-115.5139.4165-64.3178.9000108.3I502 L507 Y509 F561 A592 E595 F596 M599L500-I502 HydrophobicContact CB-CG1 4.46Å; L500-L507 PolarHBondContact N-O 2.82Å; L500-L507 PolarHBondContact O-N 2.84Å; L500-Y509 HydrophobicContact CD2-CD1 4.48Å; L500-Y509 HydrophobicContact CD2-CE1 4.25Å; L500-Y509 HydrophobicContact CG-CD1 3.94Å; L500-Y509 HydrophobicContact CG-CE1 4.2Å; L500-F561 HydrophobicContact CB-CE2 4.16Å; L500-F561 HydrophobicContact CD1-CD2 4.48Å; L500-F561 HydrophobicContact CD1-CE2 4.05Å; L500-F561 HydrophobicContact CG-CE2 4.4Å; L500-A592 HydrophobicContact CD1-CB 3.85Å; L500-E595 HydrophobicContact CD1-CB 3.88Å; L500-E595 HydrophobicContact CD1-CG 4.39Å; L500-E595 HydrophobicContact CD2-CB 4.04Å; L500-F596 HydrophobicContact CD1-CD1 4.2Å; L500-F596 HydrophobicContact CD1-CE1 3.62Å; L500-F596 HydrophobicContact CD1-CZ 4.19Å; L500-F596 HydrophobicContact CG-CE1 4.35Å; L500-M599 HydrophobicContact CD2-CE 4.23Å
501K96.9Very high96.9Very high161 Ų16152.5 Ų52.570%0.727%0.267SS*.EExtended strand (participates in β ladder)trans-89.1110.9172.7-172175.6-178178.50109.1Y505K501-Y505 WeakPolarHBondContact CA-O 3.24Å
502I93.8Very high97Very high20 Ų2050 Ų5010%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-120.2117.5175.1-54.2-171.5000108.3L500 R504 Y505 L507 F561 T591L500-I502 HydrophobicContact CB-CG1 4.46Å; I502-R504 PolarHBondContact O-N 2.79Å; I502-Y505 PolarHBondContact N-O 3.3Å; I502-Y505 PolarHBondContact O-N 3.32Å; I502-L507 HydrophobicContact CB-CD1 3.82Å; I502-L507 HydrophobicContact CD1-CD1 4.11Å; I502-L507 HydrophobicContact CG1-CD1 4.14Å; I502-F561 HydrophobicContact CD1-CE1 3.85Å; I502-F561 HydrophobicContact CD1-CZ 3.49Å; I502-F561 VanDerWaalsContact CD1-CZ 3.49Å; I502-F561 HydrophobicContact CG1-CZ 4.35Å; I502-T591 HydrophobicContact CD1-CG2 3.91Å; I502-T591 HydrophobicContact CG1-CG2 4.37Å
503G90.9Very high97.1Very high70 Ų7048.3 Ų48.372%0.72225%0.247SC*.THydrogen-bonded Turntrans56.4-120.3-170.500000111.4
504R94Very high97.1Very high143 Ų14347.4 Ų47.454%0.5424%0.24SC..THydrogen-bonded Turntrans-90.8-8.8177.766.1174.5172.6-177.5-7.1114.4I502 Q572 E576I502-R504 PolarHBondContact O-N 2.79Å; R504-Q572 VanDerWaalsContact NH1-CD 3.31Å; R504-Q572 VanDerWaalsContact NH2-CD 3.27Å; R504-Q572 VanDerWaalsContact NH2-CG 3.29Å; R504-E576 IonicContact CZ-OE1 3.84Å; R504-E576 IonicContact NH2-OE1 3.59Å; R504-E576 PolarHBondContact NH2-OE1 2.81Å
505Y96.4Very high97.1Very high29 Ų2944.5 Ų44.511%0.11422%0.223CC..EExtended strand (participates in β ladder)trans-98.9144.3-170.6-58.8-68.4000112K501 I502 L507 R564 Q572 L573 E576K501-Y505 WeakPolarHBondContact CA-O 3.24Å; I502-Y505 PolarHBondContact N-O 3.3Å; I502-Y505 PolarHBondContact O-N 3.32Å; Y505-L507 HydrophobicContact CG-CD2 4.44Å; Y505-R564 HydrophobicContact CD2-CG 3.98Å; Y505-R564 HydrophobicContact CE2-CG 3.94Å; Y505-Q572 PolarHBondContact OH-O 3.36Å; Y505-L573 HydrophobicContact CD1-CB 4.47Å; Y505-L573 HydrophobicContact CD1-CD1 3.63Å; Y505-L573 HydrophobicContact CD2-CD1 3.74Å; Y505-L573 HydrophobicContact CE1-CB 4.12Å; Y505-L573 HydrophobicContact CE1-CD1 3.82Å; Y505-L573 HydrophobicContact CE2-CD1 3.92Å; Y505-L573 HydrophobicContact CG-CD1 3.58Å; Y505-E576 HydrophobicContact CE2-CG 4.11Å; Y505-E576 PolarHBondContact OH-OE1 2.78Å
506N96.3Very high97.1Very high93 Ų9345.3 Ų45.350%0.49725%0.246SC..EExtended strand (participates in β ladder)trans-97.6106162.8-65.3-56.4000107.4Q569N506-Q569 PolarHBondContact O-NE2 2.82Å
507L98Very high97.1Very high0 Ų043.8 Ų43.80%024%0.242CC..EExtended strand (participates in β ladder)trans-105.6142.3-171.2-63.1175.6000109.9T499 L500 I502 Y505 F561 D562 L573T499-L507 CarbonylContact C-O 3.57Å; T499-L507 WeakPolarHBondContact CA-O 3.3Å; L500-L507 PolarHBondContact N-O 2.82Å; L500-L507 PolarHBondContact O-N 2.84Å; I502-L507 HydrophobicContact CB-CD1 3.82Å; I502-L507 HydrophobicContact CD1-CD1 4.11Å; I502-L507 HydrophobicContact CG1-CD1 4.14Å; Y505-L507 HydrophobicContact CG-CD2 4.44Å; L507-F561 HydrophobicContact CB-CE1 4.35Å; L507-F561 HydrophobicContact CB-CE2 3.59Å; L507-F561 HydrophobicContact CB-CZ 3.36Å; L507-F561 HydrophobicContact CD1-CE1 4.15Å; L507-F561 HydrophobicContact CD1-CZ 3.69Å; L507-F561 HydrophobicContact CG-CZ 4.17Å; L507-D562 WeakPolarHBondContact CB-O 3.37Å; L507-L573 HydrophobicContact CD2-CD1 3.65Å; L507-L573 HydrophobicContact CD2-CD2 4.03Å
508W98.4Very high97.1Very high42 Ų4243.9 Ų43.916%0.15925%0.246CC..EExtended strand (participates in β ladder)trans-93.5144-167.8-76.479.5000111.9K411 P412 T499 V538 F540 F561 D562K411-W508 HydrophobicContact CG-CH2 3.94Å; K411-W508 HydrophobicContact CG-CZ2 4.35Å; P412-W508 VanDerWaalsContact CD-CE2 3.45Å; T499-W508 HydrophobicContact CG2-CD2 3.73Å; T499-W508 HydrophobicContact CG2-CE3 4.19Å; T499-W508 HydrophobicContact CG2-CG 4.07Å; T499-W508 HydrophobicContact CG2-CH2 4.45Å; T499-W508 HydrophobicContact CG2-CZ2 4.03Å; W508-V538 HydrophobicContact CB-CB 4.07Å; W508-V538 HydrophobicContact CB-CG1 3.82Å; W508-F540 HydrophobicContact CZ3-CZ 4.13Å; W508-F561 WeakPolarHBondContact O-CA 3.35Å; W508-F561 WeakPolarHBondContact O-CD2 3.47Å; W508-D562 PolarHBondContact O-N 2.85Å
509Y98.7Very high97.1Very high26 Ų2648.5 Ų48.510%0.10226%0.264CS..EExtended strand (participates in β ladder)trans-130.7157.716973.2-92000111.9R497 G498 L500 M511 S560 F596 M599R497-Y509 WeakPolarHBondContact CA-O 3.08Å; G498-Y509 VanDerWaalsContact C-CD1 3.47Å; G498-Y509 VanDerWaalsContact C-CE1 3.41Å; G498-Y509 PolarHBondContact N-O 2.85Å; G498-Y509 VanDerWaalsContact N-O 3.1Å; G498-Y509 WeakPolarHBondContact O-CD1 3.17Å; G498-Y509 PolarHBondContact O-N 2.97Å; L500-Y509 HydrophobicContact CD2-CD1 4.48Å; L500-Y509 HydrophobicContact CD2-CE1 4.25Å; L500-Y509 HydrophobicContact CG-CD1 3.94Å; L500-Y509 HydrophobicContact CG-CE1 4.2Å; Y509-M511 HydrophobicContact CD2-CE 4.02Å; Y509-M511 HydrophobicContact CD2-CG 4.02Å; Y509-M511 HydrophobicContact CD2-SD 4.39Å; Y509-M511 HydrophobicContact CE2-CE 4Å; Y509-M511 HydrophobicContact CE2-CG 4.21Å; Y509-M511 HydrophobicContact CE2-SD 4.11Å; Y509-S560 CarbonylContact C-O 3.43Å; Y509-S560 VanDerWaalsContact CA-O 3.22Å; Y509-S560 WeakPolarHBondContact CA-O 3.42Å; Y509-S560 WeakPolarHBondContact CB-O 3.25Å; Y509-F596 HydrophobicContact CD1-CE1 4.03Å; Y509-F596 AromaticContact CD2-CE1 3.95Å; Y509-F596 HydrophobicContact CD2-CE1 3.95Å; Y509-F596 HydrophobicContact CD2-CZ 4.31Å; Y509-F596 HydrophobicContact CE2-CE1 4.46Å; Y509-F596 AromaticContact CG-CE1 3.71Å; Y509-F596 HydrophobicContact CG-CE1 3.71Å; Y509-F596 AromaticContact CG-CZ 3.98Å; Y509-F596 HydrophobicContact CG-CZ 3.98Å; Y509-M599 HydrophobicContact CE1-CE 4.19Å; Y509-M599 HydrophobicContact CE2-CE 4.38Å
510Q98.4Very high97.1Very high7 Ų750 Ų503%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-133.1150.7164.470-168.78.600111M495 R496 R497 K537 V538 D539 A559 S560M495-Q510 HydrophobicContact CE-CB 4.17Å; M495-Q510 HydrophobicContact CE-CG 4.33Å; M495-Q510 HydrophobicContact SD-CB 4.15Å; M495-Q510 HydrophobicContact SD-CG 4.36Å; R496-Q510 CarbonylContact O-C 3.54Å; R496-Q510 WeakPolarHBondContact O-CA 3.32Å; R497-Q510 HydrophobicContact CG-CB 3.81Å; Q510-K537 PolarHBondContact NE2-O 3.03Å; Q510-K537 VanDerWaalsContact NE2-O 3.07Å; Q510-V538 HydrophobicContact CB-CG1 4.15Å; Q510-V538 HydrophobicContact CG-CG2 4.3Å; Q510-D539 PolarHBondContact OE1-O 2.84Å; Q510-A559 CarbonylContact O-C 3.58Å; Q510-A559 VanDerWaalsContact O-CA 3.23Å; Q510-A559 WeakPolarHBondContact O-CA 3.2Å; Q510-S560 PolarHBondContact N-O 2.97Å; Q510-S560 PolarHBondContact O-N 2.98Å
511M98.7Very high97.1Very high0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-136.8121.2178.9-67.6179.1177.600111.4M495 R496 Y509 L513 I557 V558 A559 F596 M599 F601M495-M511 WeakPolarHBondContact CE-O 3.46Å; R496-M511 HydrophobicContact CB-CB 4.4Å; R496-M511 PolarHBondContact N-O 2.8Å; R496-M511 PolarHBondContact O-N 2.76Å; Y509-M511 HydrophobicContact CD2-CE 4.02Å; Y509-M511 HydrophobicContact CD2-CG 4.02Å; Y509-M511 HydrophobicContact CD2-SD 4.39Å; Y509-M511 HydrophobicContact CE2-CE 4Å; Y509-M511 HydrophobicContact CE2-CG 4.21Å; Y509-M511 HydrophobicContact CE2-SD 4.11Å; M511-L513 HydrophobicContact CB-CD2 4.02Å; M511-L513 HydrophobicContact CB-CG 4.45Å; M511-L513 PolarHBondContact O-N 2.81Å; M511-I557 HydrophobicContact CB-CG2 4.2Å; M511-I557 HydrophobicContact CG-CG2 4.32Å; M511-I557 HydrophobicContact SD-CG2 4.37Å; M511-V558 CarbonylContact C-O 3.55Å; M511-V558 WeakPolarHBondContact CA-O 3.38Å; M511-A559 HydrophobicContact CE-CB 4.34Å; M511-A559 HydrophobicContact CG-CB 3.82Å; M511-F596 HydrophobicContact CE-CB 3.85Å; M511-F596 HydrophobicContact CE-CD1 3.09Å; M511-F596 HydrophobicContact CE-CD2 3.83Å; M511-F596 HydrophobicContact CE-CE1 3.44Å; M511-F596 VanDerWaalsContact CE-CE1 3.44Å; M511-F596 HydrophobicContact CE-CE2 4.14Å; M511-F596 HydrophobicContact CE-CG 3.31Å; M511-F596 HydrophobicContact CE-CZ 3.97Å; M511-M599 HydrophobicContact CE-CE 4.29Å; M511-M599 HydrophobicContact CE-SD 3.92Å; M511-M599 HydrophobicContact SD-SD 4.48Å; M511-F601 HydrophobicContact SD-CE2 4.31Å; M511-F601 HydrophobicContact SD-CZ 4.35Å
512Y98.7Very high97.2Very high28 Ų2852.1 Ų52.111%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-73.7115.1163.5-73.8-88.8000107.6P493 M495 R543 I557 V558P493-Y512 HydrophobicContact CB-CD1 4.35Å; P493-Y512 HydrophobicContact CG-CD1 3.93Å; M495-Y512 HydrophobicContact CE-CD1 3.88Å; M495-Y512 HydrophobicContact CE-CD2 3.48Å; M495-Y512 VanDerWaalsContact CE-CD2 3.48Å; M495-Y512 HydrophobicContact CE-CE1 4.13Å; M495-Y512 HydrophobicContact CE-CE2 3.74Å; M495-Y512 HydrophobicContact CE-CG 3.55Å; M495-Y512 HydrophobicContact SD-CE1 4.39Å; M495-Y512 HydrophobicContact SD-CE2 4.21Å; Y512-R543 PolarHBondContact OH-O 3.16Å; Y512-I557 WeakPolarHBondContact O-CA 3.43Å; Y512-V558 HydrophobicContact CD2-CB 4.44Å; Y512-V558 PolarHBondContact N-O 2.83Å; Y512-V558 PolarHBondContact O-N 2.58Å
513L98.7Very high97.4Very high5 Ų552.2 Ų52.23%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-101.4137.6179.6-59.5178.7000109.6P493 T494 R496 M511 F517 I557P493-L513 VanDerWaalsContact CA-O 3.25Å; P493-L513 WeakPolarHBondContact CA-O 3.37Å; P493-L513 WeakPolarHBondContact CB-O 3.44Å; T494-L513 PolarHBondContact N-O 3.22Å; T494-L513 PolarHBondContact O-N 3.09Å; R496-L513 HydrophobicContact CB-CD1 3.77Å; R496-L513 HydrophobicContact CB-CG 4.27Å; M511-L513 HydrophobicContact CB-CD2 4.02Å; M511-L513 HydrophobicContact CB-CG 4.45Å; M511-L513 PolarHBondContact O-N 2.81Å; L513-F517 HydrophobicContact CB-CB 4.11Å; L513-F517 HydrophobicContact CB-CD2 4.35Å; L513-F517 HydrophobicContact CB-CG 4.09Å; L513-F517 HydrophobicContact CD1-CD1 3.84Å; L513-F517 HydrophobicContact CD1-CE1 3.99Å; L513-F517 HydrophobicContact CD1-CG 4.22Å; L513-F517 HydrophobicContact CD2-CD2 4.29Å; L513-F517 HydrophobicContact CD2-CE2 4.16Å; L513-F517 HydrophobicContact CD2-CZ 4.28Å; L513-I557 HydrophobicContact CD2-CD1 3.85Å; L513-I557 HydrophobicContact CD2-CG1 4.08Å; L513-I557 HydrophobicContact CD2-CG2 4.21Å
514P98.4Very high97.8Very high1 Ų149.3 Ų49.31%0.00625%0.253CS..PPolyproline II helixtrans-55.1150.7178.5-28.635.1000113.7G516 F517 Y523 A551 K555 I557P514-G516 PolarHBondContact O-N 3.21Å; P514-F517 VanDerWaalsContact O-CB 3.27Å; P514-F517 WeakPolarHBondContact O-CB 3.37Å; P514-F517 PolarHBondContact O-N 2.99Å; P514-Y523 HydrophobicContact CB-CE1 4.46Å; P514-Y523 HydrophobicContact CG-CD1 3.93Å; P514-Y523 HydrophobicContact CG-CE1 4.09Å; P514-A551 VanDerWaalsContact CA-O 3.3Å; P514-A551 WeakPolarHBondContact CA-O 3.36Å; P514-A551 WeakPolarHBondContact CB-O 3.47Å; P514-K555 HydrophobicContact CB-CB 4.45Å; P514-K555 HydrophobicContact CB-CD 3.87Å; P514-K555 HydrophobicContact CG-CB 4.33Å; P514-I557 HydrophobicContact CG-CG1 4.36Å
515P97.9Very high98Very high19 Ų1942.5 Ų42.512%0.12323%0.227CC..THydrogen-bonded Turntrans-56.5132.9169.6-21.330.5000110.6M43 Q491 F517 A551M43-P515 HydrophobicContact CE-CG 4.39Å; Q491-P515 HydrophobicContact CB-CB 3.74Å; Q491-P515 HydrophobicContact CB-CG 3.68Å; Q491-P515 HydrophobicContact CG-CB 4.5Å; Q491-P515 WeakPolarHBondContact O-CG 3.27Å; P515-F517 VanDerWaalsContact C-N 3.32Å; P515-A551 WeakPolarHBondContact CD-O 3.35Å
516G96.2Very high98.2Very high74 Ų7441.1 Ų41.176%0.76322%0.222SC*.THydrogen-bonded Turntrans69.426.8-174.700000114.1P514 D518P514-G516 PolarHBondContact O-N 3.21Å; G516-D518 PolarHBondContact O-N 3.17Å
517F98.4Very high98.3Very high41 Ų4136.8 Ų36.818%0.1820%0.199CC..  trans-48.3126.8179172.8-106.7000112.7L513 P514 P515 E519 Y523 I557 F601L513-F517 HydrophobicContact CB-CB 4.11Å; L513-F517 HydrophobicContact CB-CD2 4.35Å; L513-F517 HydrophobicContact CB-CG 4.09Å; L513-F517 HydrophobicContact CD1-CD1 3.84Å; L513-F517 HydrophobicContact CD1-CE1 3.99Å; L513-F517 HydrophobicContact CD1-CG 4.22Å; L513-F517 HydrophobicContact CD2-CD2 4.29Å; L513-F517 HydrophobicContact CD2-CE2 4.16Å; L513-F517 HydrophobicContact CD2-CZ 4.28Å; P514-F517 VanDerWaalsContact O-CB 3.27Å; P514-F517 WeakPolarHBondContact O-CB 3.37Å; P514-F517 PolarHBondContact O-N 2.99Å; P515-F517 VanDerWaalsContact C-N 3.32Å; F517-E519 HydrophobicContact CD1-CG 4.24Å; F517-E519 HydrophobicContact CE1-CB 4.45Å; F517-E519 HydrophobicContact CE1-CG 3.31Å; F517-E519 HydrophobicContact CZ-CG 3.68Å; F517-Y523 HydrophobicContact CD2-CD2 4.17Å; F517-Y523 AromaticContact CD2-CE2 3.61Å; F517-Y523 HydrophobicContact CD2-CE2 3.61Å; F517-Y523 AromaticContact CD2-CZ 3.88Å; F517-Y523 AromaticContact CE2-CD2 3.84Å; F517-Y523 HydrophobicContact CE2-CD2 3.84Å; F517-Y523 AromaticContact CE2-CE2 3.52Å; F517-Y523 HydrophobicContact CE2-CE2 3.52Å; F517-I557 HydrophobicContact CD2-CD1 4.42Å; F517-I557 HydrophobicContact CE2-CD1 3.85Å; F517-F601 HydrophobicContact CE2-CB 4.23Å; F517-F601 AromaticContact CE2-CD2 3.93Å; F517-F601 HydrophobicContact CE2-CD2 3.93Å; F517-F601 HydrophobicContact CE2-CG 4.05Å; F517-F601 HydrophobicContact CZ-CB 4.11Å; F517-F601 AromaticContact CZ-CD1 3.9Å; F517-F601 HydrophobicContact CZ-CD1 3.9Å; F517-F601 AromaticContact CZ-CD2 3.8Å; F517-F601 HydrophobicContact CZ-CD2 3.8Å; F517-F601 HydrophobicContact CZ-CE1 4.24Å; F517-F601 HydrophobicContact CZ-CE2 4.17Å; F517-F601 AromaticContact CZ-CG 3.65Å; F517-F601 HydrophobicContact CZ-CG 3.65Å; F517-F601 HydrophobicContact CZ-CZ 4.38Å
518D97.9Very high98.3Very high60 Ų6037.3 Ų37.332%0.32120%0.202SC..  trans-122.7114-179.4174.8-3.3000109.1G516 S520 K521 Y523G516-D518 PolarHBondContact O-N 3.17Å; D518-S520 PolarHBondContact O-N 3.45Å; D518-S520 VanDerWaalsContact O-N 3.16Å; D518-S520 WeakPolarHBondContact OD1-CB 3.44Å; D518-S520 PolarHBondContact OD1-N 3.17Å; D518-S520 PolarHBondContact OD1-OG 3.36Å; D518-S520 PolarHBondContact OD2-OG 3.43Å; D518-K521 HydrophobicContact CB-CD 4.15Å; D518-K521 HydrophobicContact CB-CG 4.23Å; D518-K521 PolarHBondContact O-N 2.95Å; D518-K521 VanDerWaalsContact O-N 3.11Å; D518-K521 WeakPolarHBondContact OD2-CE 3.42Å; D518-Y523 PolarHBondContact N-OH 3.11Å; D518-Y523 VanDerWaalsContact O-CE2 3.28Å; D518-Y523 WeakPolarHBondContact O-CE2 3.22Å; D518-Y523 PolarHBondContact O-OH 2.7Å; D518-Y523 VanDerWaalsContact O-OH 3.12Å
519E97.1Very high98.3Very high112 Ų11235.5 Ų35.552%0.52320%0.195SC..THydrogen-bonded Turntrans-63.6-15.7-177.7-70.6-172.1165.900113.9R496 F517 K521 F601R496-E519 IonicContact CZ-OE1 2.66Å; R496-E519 IonicContact NH1-OE1 3.27Å; R496-E519 PolarHBondContact NH1-OE1 3.12Å; R496-E519 IonicContact NH2-OE1 2.86Å; R496-E519 PolarHBondContact NH2-OE1 3.18Å; F517-E519 HydrophobicContact CD1-CG 4.24Å; F517-E519 HydrophobicContact CE1-CB 4.45Å; F517-E519 HydrophobicContact CE1-CG 3.31Å; F517-E519 HydrophobicContact CZ-CG 3.68Å; E519-K521 VanDerWaalsContact C-N 3.32Å; E519-F601 HydrophobicContact CG-CD1 4.38Å
520S97.5Very high98.3Very high98 Ų9838.2 Ų38.269%0.68521%0.206SC*.THydrogen-bonded Turntrans-79.1-15.317673.70000113.7D518D518-S520 PolarHBondContact O-N 3.45Å; D518-S520 VanDerWaalsContact O-N 3.16Å; D518-S520 WeakPolarHBondContact OD1-CB 3.44Å; D518-S520 PolarHBondContact OD1-N 3.17Å; D518-S520 PolarHBondContact OD1-OG 3.36Å; D518-S520 PolarHBondContact OD2-OG 3.43Å
521K98.3Very high98.3Very high117 Ų11738.1 Ų38.151%0.50921%0.206SC..SBendtrans-92.1161.8179.6-63.9-178.4-174.4171.80112D518 E519 Y523 F601D518-K521 HydrophobicContact CB-CD 4.15Å; D518-K521 HydrophobicContact CB-CG 4.23Å; D518-K521 PolarHBondContact O-N 2.95Å; D518-K521 VanDerWaalsContact O-N 3.11Å; D518-K521 WeakPolarHBondContact OD2-CE 3.42Å; E519-K521 VanDerWaalsContact C-N 3.32Å; K521-Y523 HydrophobicContact CB-CE2 3.76Å; K521-F601 VanDerWaalsContact O-CA 3.26Å; K521-F601 WeakPolarHBondContact O-CA 3.41Å; K521-F601 WeakPolarHBondContact O-CB 3.32Å
522K98.4Very high98.2Very high110 Ų11038.1 Ų38.148%0.47821%0.206SC..  trans-107.8116.8176.8-63-61.6-163.7163.30110.6G600 F601 I602 D603 R606K522-G600 WeakPolarHBondContact CD-O 3.42Å; K522-G600 WeakPolarHBondContact CE-O 3.48Å; K522-G600 PolarHBondContact NZ-O 3.22Å; K522-F601 CarbonylContact C-O 3.54Å; K522-F601 WeakPolarHBondContact CA-O 3.42Å; K522-I602 PolarHBondContact NZ-O 2.94Å; K522-D603 HydrophobicContact CB-CB 4.12Å; K522-R606 PolarHBondContact O-NH2 2.83Å
523Y98.8Very high98.2Very high21 Ų2137.1 Ų37.18%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-106.2145.9-179.8-56.8-91.3000110.8P514 F517 D518 K521 I557 F601 D603P514-Y523 HydrophobicContact CB-CE1 4.46Å; P514-Y523 HydrophobicContact CG-CD1 3.93Å; P514-Y523 HydrophobicContact CG-CE1 4.09Å; F517-Y523 HydrophobicContact CD2-CD2 4.17Å; F517-Y523 AromaticContact CD2-CE2 3.61Å; F517-Y523 HydrophobicContact CD2-CE2 3.61Å; F517-Y523 AromaticContact CD2-CZ 3.88Å; F517-Y523 AromaticContact CE2-CD2 3.84Å; F517-Y523 HydrophobicContact CE2-CD2 3.84Å; F517-Y523 AromaticContact CE2-CE2 3.52Å; F517-Y523 HydrophobicContact CE2-CE2 3.52Å; D518-Y523 PolarHBondContact N-OH 3.11Å; D518-Y523 VanDerWaalsContact O-CE2 3.28Å; D518-Y523 WeakPolarHBondContact O-CE2 3.22Å; D518-Y523 PolarHBondContact O-OH 2.7Å; D518-Y523 VanDerWaalsContact O-OH 3.12Å; K521-Y523 HydrophobicContact CB-CE2 3.76Å; Y523-I557 HydrophobicContact CD2-CD1 3.91Å; Y523-I557 HydrophobicContact CG-CD1 3.98Å; Y523-I557 HydrophobicContact CG-CG1 4.27Å; Y523-F601 HydrophobicContact CD2-CB 4.48Å; Y523-F601 WeakPolarHBondContact CD2-O 3.23Å; Y523-F601 PolarHBondContact N-O 2.93Å; Y523-D603 PolarHBondContact O-N 2.84Å
524P98.8Very high98.1Very high10 Ų1037.3 Ų37.37%0.06521%0.205CC..EExtended strand (participates in β ladder)trans-63.9151.2166.428.4-31.2000110.4V556 I557 R606 F743P524-V556 HydrophobicContact CG-CB 4.34Å; P524-V556 HydrophobicContact CG-CG2 3.87Å; P524-I557 PolarHBondContact O-N 2.82Å; P524-R606 VanDerWaalsContact CA-O 3.31Å; P524-R606 WeakPolarHBondContact CA-O 3.14Å; P524-R606 HydrophobicContact CB-CB 3.8Å; P524-F743 HydrophobicContact CB-CD1 4.43Å; P524-F743 HydrophobicContact CB-CD2 3.65Å; P524-F743 HydrophobicContact CB-CE1 4.4Å; P524-F743 HydrophobicContact CB-CE2 3.62Å; P524-F743 HydrophobicContact CB-CG 4.06Å; P524-F743 HydrophobicContact CB-CZ 4Å; P524-F743 HydrophobicContact CG-CD2 4.22Å; P524-F743 HydrophobicContact CG-CE2 4.37Å
525L98.9Very high98.1Very high0 Ų038.2 Ų38.20%021%0.211CC..EExtended strand (participates in β ladder)trans-120.2129.8-178177.164.4000110.7I527 I557 A559 T593 F596 I602 R606 V607 A608L525-I527 HydrophobicContact CD1-CD1 4.16Å; L525-I527 HydrophobicContact CD2-CD1 3.86Å; L525-I527 HydrophobicContact CG-CD1 4.01Å; L525-I557 WeakPolarHBondContact CA-O 3.38Å; L525-I557 HydrophobicContact CD1-CB 4.34Å; L525-I557 HydrophobicContact CD1-CG2 3.91Å; L525-A559 HydrophobicContact CD1-CB 3.84Å; L525-T593 HydrophobicContact CD2-CG2 4Å; L525-F596 HydrophobicContact CD2-CB 4.18Å; L525-F596 HydrophobicContact CD2-CD2 4.31Å; L525-I602 HydrophobicContact CB-CD1 4.18Å; L525-I602 HydrophobicContact CB-CG2 3.73Å; L525-I602 HydrophobicContact CD1-CD1 4.17Å; L525-I602 HydrophobicContact CD2-CD1 4.49Å; L525-I602 HydrophobicContact CD2-CG2 3.99Å; L525-I602 HydrophobicContact CG-CG2 4.47Å; L525-R606 PolarHBondContact N-O 3.32Å; L525-V607 HydrophobicContact CB-CG1 4.41Å; L525-V607 HydrophobicContact CB-CG2 4.37Å; L525-V607 HydrophobicContact CD2-CG1 4.17Å; L525-V607 HydrophobicContact CG-CG1 4.45Å; L525-V607 CarbonylContact O-C 3.59Å; L525-V607 WeakPolarHBondContact O-CA 3.48Å; L525-A608 PolarHBondContact O-N 3.48Å
526L98.9Very high98Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-112.7123.2165.6179.267.7000109.7W546 L550 V556 I557 V558 A559 A608 W610 M634 L739L526-W546 HydrophobicContact CD2-CE3 4.5Å; L526-W546 HydrophobicContact CD2-CH2 3.83Å; L526-W546 HydrophobicContact CD2-CZ3 3.63Å; L526-L550 HydrophobicContact CD2-CD1 3.4Å; L526-L550 VanDerWaalsContact CD2-CD1 3.4Å; L526-V556 HydrophobicContact CB-CG1 3.85Å; L526-I557 PolarHBondContact N-O 3.31Å; L526-V558 HydrophobicContact CB-CG2 4.42Å; L526-V558 HydrophobicContact CD2-CG1 4.48Å; L526-V558 HydrophobicContact CD2-CG2 4.44Å; L526-V558 CarbonylContact O-C 3.34Å; L526-V558 WeakPolarHBondContact O-CA 3.28Å; L526-A559 PolarHBondContact O-N 3.28Å; L526-A608 WeakPolarHBondContact CA-O 3.3Å; L526-A608 HydrophobicContact CD1-CB 3.81Å; L526-W610 HydrophobicContact CD1-CB 4.26Å; L526-W610 HydrophobicContact CD1-CG 4.29Å; L526-W610 HydrophobicContact CD2-CG 4.44Å; L526-M634 HydrophobicContact CD1-CE 4.06Å; L526-L739 HydrophobicContact CD1-CD1 4.07Å; L526-L739 HydrophobicContact CD1-CD2 4.39Å; L526-L739 HydrophobicContact CD2-CD2 3.91Å
527I98.9Very high98.1Very high1 Ų138.2 Ų38.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-84.7116168.4-56.8-57.2000109L525 V529 A559 T593 F596 A608 I609 W610 F630L525-I527 HydrophobicContact CD1-CD1 4.16Å; L525-I527 HydrophobicContact CD2-CD1 3.86Å; L525-I527 HydrophobicContact CG-CD1 4.01Å; I527-V529 HydrophobicContact CG2-CB 4.27Å; I527-A559 CarbonylContact C-O 3.53Å; I527-A559 WeakPolarHBondContact CA-O 3.16Å; I527-A559 HydrophobicContact CD1-CB 4.04Å; I527-T593 HydrophobicContact CD1-CG2 4.35Å; I527-T593 HydrophobicContact CG1-CG2 4.3Å; I527-T593 WeakPolarHBondContact CG1-OG1 3.4Å; I527-F596 HydrophobicContact CD1-CD2 3.97Å; I527-F596 HydrophobicContact CD1-CE2 4.06Å; I527-A608 PolarHBondContact N-O 2.9Å; I527-I609 HydrophobicContact CB-CB 4.2Å; I527-I609 HydrophobicContact CB-CD1 4.35Å; I527-I609 HydrophobicContact CB-CG1 3.98Å; I527-I609 HydrophobicContact CG2-CD1 4.11Å; I527-I609 HydrophobicContact CG2-CG1 4.11Å; I527-I609 WeakPolarHBondContact O-CA 3.33Å; I527-W610 VanDerWaalsContact O-CD1 3.31Å; I527-W610 PolarHBondContact O-N 2.98Å; I527-F630 HydrophobicContact CB-CE1 4.45Å; I527-F630 HydrophobicContact CG1-CE1 3.82Å; I527-F630 HydrophobicContact CG1-CZ 4.36Å
528D98.8Very high98.1Very high12 Ų1236.4 Ų36.46%0.06418%0.181CC..EExtended strand (participates in β ladder)trans-91.696.4169.6173.315.2000109.1K537 V558 A559 S560 W610D528-K537 WeakPolarHBondContact OD1-CE 3.42Å; D528-K537 IonicContact OD1-NZ 3.37Å; D528-K537 PolarHBondContact OD1-NZ 3.26Å; D528-K537 IonicContact OD2-NZ 2.68Å; D528-K537 PolarHBondContact OD2-NZ 3.47Å; D528-V558 HydrophobicContact CB-CG1 3.87Å; D528-A559 PolarHBondContact N-O 2.7Å; D528-S560 WeakPolarHBondContact O-CB 3.17Å; D528-S560 PolarHBondContact O-OG 2.9Å; D528-W610 VanDerWaalsContact CB-NE1 3.31Å; D528-W610 WeakPolarHBondContact OD1-CZ2 3.44Å
529V98.8Very high98Very high3 Ų333.8 Ų33.82%0.01817%0.167CC..  trans-103.5140.8-175.366.60000111.8I527 A531 Q589 I609 W610 G611 V618I527-V529 HydrophobicContact CG2-CB 4.27Å; V529-A531 HydrophobicContact CG2-CB 3.69Å; V529-Q589 HydrophobicContact CG2-CG 3.86Å; V529-I609 HydrophobicContact CB-CD1 4.34Å; V529-I609 HydrophobicContact CB-CG1 4.48Å; V529-I609 HydrophobicContact CG1-CD1 3.78Å; V529-I609 HydrophobicContact CG1-CG1 3.73Å; V529-W610 VanDerWaalsContact CG1-O 3.24Å; V529-W610 WeakPolarHBondContact CG1-O 3.34Å; V529-W610 PolarHBondContact N-O 3.28Å; V529-G611 WeakPolarHBondContact O-CA 3.4Å; V529-V618 HydrophobicContact CG1-CG1 4.49Å; V529-V618 HydrophobicContact CG2-CB 4.19Å; V529-V618 HydrophobicContact CG2-CG1 3.73Å
530Y98.4Very high98Very high83 Ų8329 Ų2933%0.32514%0.144SC..  trans-120.2-61.7156.6-175.4-103.1000109.6G532 S535 Y614 G615Y530-G532 PolarHBondContact O-N 2.86Å; Y530-S535 VanDerWaalsContact CD1-CB 3.48Å; Y530-S535 WeakPolarHBondContact CD1-OG 3.36Å; Y530-Y614 WeakPolarHBondContact O-CD1 3.43Å; Y530-G615 VanDerWaalsContact O-CA 3.29Å; Y530-G615 WeakPolarHBondContact O-CA 3.23Å; Y530-G615 PolarHBondContact O-N 2.87Å
531A97.8Very high98Very high5 Ų528.9 Ų28.94%0.04113%0.129CC..  trans55.717.9173.200000115.8V529 E585 Y614 V618V529-A531 HydrophobicContact CG2-CB 3.69Å; A531-E585 HydrophobicContact CB-CB 4.19Å; A531-Y614 WeakPolarHBondContact O-CE1 3.43Å; A531-V618 HydrophobicContact CB-CG1 4.4Å; A531-V618 HydrophobicContact CB-CG2 4.23Å
532G97.2Very high98Very high0 Ų025.9 Ų25.90%012%0.115CC..  trans-62148.3168.200000111.7Y530 C534 S535 Y614Y530-G532 PolarHBondContact O-N 2.86Å; G532-C534 PolarHBondContact O-N 2.62Å; G532-S535 PolarHBondContact N-OG 2.71Å; G532-S535 WeakPolarHBondContact O-CB 3.28Å; G532-S535 PolarHBondContact O-N 3.43Å; G532-S535 VanDerWaalsContact O-N 3.14Å; G532-S535 PolarHBondContact O-OG 2.98Å; G532-Y614 VanDerWaalsContact CA-CG 3.47Å; G532-Y614 VanDerWaalsContact N-CD1 3.35Å
533P97.6Very high97.7Very high8 Ų825.3 Ų25.35%0.05211%0.11CC..THydrogen-bonded Turntrans-42.1138.1170.8-24.723.5000111.6S535 I577 L581 Y614 Y649 Y653P533-S535 PolarHBondContact O-N 3.31Å; P533-I577 HydrophobicContact CB-CD1 3.98Å; P533-I577 HydrophobicContact CG-CD1 3.65Å; P533-L581 HydrophobicContact CG-CD2 3.82Å; P533-Y614 HydrophobicContact CG-CE2 4.23Å; P533-Y649 WeakPolarHBondContact CD-OH 3.44Å; P533-Y653 HydrophobicContact CB-CD1 3.77Å; P533-Y653 HydrophobicContact CB-CD2 4.22Å; P533-Y653 HydrophobicContact CB-CE1 3.4Å; P533-Y653 HydrophobicContact CB-CE2 3.9Å; P533-Y653 HydrophobicContact CB-CG 4.17Å; P533-Y653 VanDerWaalsContact CB-CZ 3.47Å; P533-Y653 HydrophobicContact CG-CD1 3.98Å; P533-Y653 HydrophobicContact CG-CD2 3.77Å; P533-Y653 HydrophobicContact CG-CE1 4.01Å; P533-Y653 HydrophobicContact CG-CE2 3.82Å; P533-Y653 HydrophobicContact CG-CG 3.86Å
534C97.1Very high97.6Very high8 Ų825.3 Ų25.35%0.05411%0.112CC..THydrogen-bonded Turntrans69.7-7.8174.3-440000115.8R344 G532 G565 M574R344-C534 HydrophobicContact CG-CB 3.84Å; R344-C534 PolarHBondContact O-SG 3.2Å; G532-C534 PolarHBondContact O-N 2.62Å; C534-G565 PolarHBondContact N-O 3.08Å; C534-M574 HydrophobicContact CB-SD 4.16Å; C534-M574 VanDerWaalsContact SG-SD 3.69Å
535S97.4Very high97.5Very high20 Ų2025.6 Ų25.614%0.1412%0.117CC..  trans-74.5168.2-177.774.40000113Y530 G532 P533 S566 G567Y530-S535 VanDerWaalsContact CD1-CB 3.48Å; Y530-S535 WeakPolarHBondContact CD1-OG 3.36Å; G532-S535 PolarHBondContact N-OG 2.71Å; G532-S535 WeakPolarHBondContact O-CB 3.28Å; G532-S535 PolarHBondContact O-N 3.43Å; G532-S535 VanDerWaalsContact O-N 3.14Å; G532-S535 PolarHBondContact O-OG 2.98Å; P533-S535 PolarHBondContact O-N 3.31Å; S535-S566 WeakPolarHBondContact O-CA 3.42Å; S535-S566 WeakPolarHBondContact O-CB 3.19Å; S535-G567 PolarHBondContact O-N 2.83Å
536Q97.7Very high97.4Very high33 Ų3326.1 Ų26.115%0.15412%0.118CC..  trans-150.6120.1173179.417270.100109.3P412 D562 Y568P412-Q536 PolarHBondContact O-NE2 3.41Å; Q536-D562 WeakPolarHBondContact CG-OD2 3.38Å; Q536-Y568 HydrophobicContact CB-CD2 3.69Å; Q536-Y568 HydrophobicContact CB-CE2 3.77Å; Q536-Y568 HydrophobicContact CG-CD2 4.27Å
537K97Very high97.4Very high60 Ų6026.8 Ų26.826%0.26112%0.123SC..  trans-96.1-31.4174.3-97.4-81.5-169.1174.50112.1Q510 D528 D539 D562Q510-K537 PolarHBondContact NE2-O 3.03Å; Q510-K537 VanDerWaalsContact NE2-O 3.07Å; D528-K537 WeakPolarHBondContact OD1-CE 3.42Å; D528-K537 IonicContact OD1-NZ 3.37Å; D528-K537 PolarHBondContact OD1-NZ 3.26Å; D528-K537 IonicContact OD2-NZ 2.68Å; D528-K537 PolarHBondContact OD2-NZ 3.47Å; K537-D539 PolarHBondContact O-N 3.49Å; K537-D562 PolarHBondContact N-OD1 3Å; K537-D562 PolarHBondContact N-OD2 2.86Å; K537-D562 VanDerWaalsContact N-OD2 3.07Å
538V98.1Very high97.4Very high3 Ų326.8 Ų26.82%0.01812%0.123CC..  trans-92.397.8-175.7-173.60000109.7G413 W508 Q510 D562G413-V538 WeakPolarHBondContact CA-O 3.13Å; W508-V538 HydrophobicContact CB-CB 4.07Å; W508-V538 HydrophobicContact CB-CG1 3.82Å; Q510-V538 HydrophobicContact CB-CG1 4.15Å; Q510-V538 HydrophobicContact CG-CG2 4.3Å; V538-D562 WeakPolarHBondContact CA-OD2 3.24Å; V538-D562 VanDerWaalsContact CB-OD2 3.32Å; V538-D562 WeakPolarHBondContact CB-OD2 3.16Å; V538-D562 HydrophobicContact CG2-CB 4.37Å; V538-D562 PolarHBondContact N-OD2 2.92Å
539D97.4Very high97.4Very high6 Ų627.1 Ų27.13%0.03212%0.124CC..  trans-136.6-178.6177.271.331.4000111.5G413 Y439 R497 Q510 K537 R541 R543G413-D539 WeakPolarHBondContact O-CB 3.4Å; Y439-D539 HydrophobicContact CD2-CB 4.13Å; Y439-D539 HydrophobicContact CE2-CB 4.06Å; R497-D539 PolarHBondContact NE-O 3Å; R497-D539 PolarHBondContact NH2-O 2.74Å; Q510-D539 PolarHBondContact OE1-O 2.84Å; K537-D539 PolarHBondContact O-N 3.49Å; D539-R541 WeakPolarHBondContact OD1-CB 3.48Å; D539-R541 PolarHBondContact OD1-N 2.9Å; D539-R543 IonicContact OD1-CZ 3.91Å; D539-R543 IonicContact OD1-NH1 3.01Å; D539-R543 PolarHBondContact OD1-NH1 2.72Å; D539-R543 IonicContact OD1-NH2 3.93Å; D539-R543 IonicContact OD2-CZ 3.59Å; D539-R543 IonicContact OD2-NH1 2.72Å; D539-R543 PolarHBondContact OD2-NH1 3Å; D539-R543 IonicContact OD2-NH2 3.34Å; D539-R543 PolarHBondContact OD2-NH2 2.86Å
540F97.3Very high97.4Very high11 Ų1127.1 Ų27.15%0.04812%0.124CC..  trans-104.521-177.6-60.9-92.5000113.8K411 E438 G457 P458 W508K411-F540 HydrophobicContact CB-CE2 3.9Å; K411-F540 HydrophobicContact CB-CZ 4.21Å; K411-F540 HydrophobicContact CD-CE1 4.27Å; K411-F540 HydrophobicContact CD-CE2 4.09Å; K411-F540 HydrophobicContact CD-CZ 3.69Å; K411-F540 HydrophobicContact CG-CE2 4.37Å; K411-F540 HydrophobicContact CG-CZ 4.17Å; E438-F540 HydrophobicContact CB-CB 3.72Å; E438-F540 HydrophobicContact CB-CD1 4.15Å; E438-F540 HydrophobicContact CB-CD2 4.37Å; E438-F540 HydrophobicContact CB-CG 3.82Å; E438-F540 WeakPolarHBondContact OE2-CD1 3.46Å; E438-F540 WeakPolarHBondContact OE2-CE1 3.5Å; G457-F540 CarbonylContact C-O 3.5Å; G457-F540 WeakPolarHBondContact CA-O 3.37Å; P458-F540 VanDerWaalsContact CA-O 3.28Å; P458-F540 WeakPolarHBondContact CA-O 3.18Å; W508-F540 HydrophobicContact CZ3-CZ 4.13Å
541R97.1Very high97.4Very high95 Ų9523.1 Ų23.136%0.35811%0.108SC..  trans-73146.3173.2-65.7-179.8169-167.12.7110.8Y439 H456 D539 R543Y439-R541 HydrophobicContact CD1-CG 3.77Å; Y439-R541 HydrophobicContact CD2-CG 3.61Å; Y439-R541 HydrophobicContact CE1-CG 4.07Å; Y439-R541 HydrophobicContact CE2-CG 3.87Å; Y439-R541 HydrophobicContact CG-CG 3.55Å; Y439-R541 PolarHBondContact OH-NE 2.74Å; Y439-R541 PolarHBondContact OH-NH2 3.32Å; Y439-R541 VanDerWaalsContact OH-NH2 3.16Å; H456-R541 HydrophobicContact CB-CG 4.21Å; H456-R541 WeakPolarHBondContact O-CA 3.28Å; D539-R541 WeakPolarHBondContact OD1-CB 3.48Å; D539-R541 PolarHBondContact OD1-N 2.9Å; R541-R543 HydrophobicContact CB-CG 4.43Å
542Y96.7Very high97.4Very high54 Ų5422.9 Ų22.921%0.21211%0.106CC..  trans-83.4120.1168.4-174.1-85.6000109P56 H456 P458 R459 I460 F483 I487 V544P56-Y542 HydrophobicContact CG-CD1 3.96Å; P56-Y542 HydrophobicContact CG-CE1 4.19Å; H456-Y542 PolarHBondContact O-N 2.79Å; P458-Y542 WeakPolarHBondContact O-CD2 3.39Å; R459-Y542 WeakPolarHBondContact O-CB 3.22Å; I460-Y542 HydrophobicContact CG1-CE2 4.31Å; F483-Y542 AromaticContact CE1-CE1 3.63Å; F483-Y542 HydrophobicContact CE1-CE1 3.63Å; F483-Y542 AromaticContact CZ-CE1 3.78Å; F483-Y542 HydrophobicContact CZ-CE1 3.78Å; I487-Y542 WeakPolarHBondContact CD1-OH 3.32Å; Y542-V544 HydrophobicContact CE1-CG1 3.83Å
543R93.7Very high97.5Very high99 Ų9925.1 Ų25.137%0.37412%0.12SC..  trans-133.3140.5-179.9-63.9-175.7-176.187.5-6110.8Y512 D539 R541Y512-R543 PolarHBondContact OH-O 3.16Å; D539-R543 IonicContact OD1-CZ 3.91Å; D539-R543 IonicContact OD1-NH1 3.01Å; D539-R543 PolarHBondContact OD1-NH1 2.72Å; D539-R543 IonicContact OD1-NH2 3.93Å; D539-R543 IonicContact OD2-CZ 3.59Å; D539-R543 IonicContact OD2-NH1 2.72Å; D539-R543 PolarHBondContact OD2-NH1 3Å; D539-R543 IonicContact OD2-NH2 3.34Å; D539-R543 PolarHBondContact OD2-NH2 2.86Å; R541-R543 HydrophobicContact CB-CG 4.43Å
544V95.8Very high97.5Very high21 Ų2127.9 Ų27.913%0.12713%0.132CC..  trans-121.5138.2169.5-66.10000109L54 K55 F483 M492 Y542 T548L54-V544 WeakPolarHBondContact O-CG2 3.45Å; K55-V544 HydrophobicContact CG-CG2 4.27Å; F483-V544 HydrophobicContact CE2-CG2 4.47Å; F483-V544 HydrophobicContact CZ-CG1 4.17Å; F483-V544 HydrophobicContact CZ-CG2 4.42Å; M492-V544 HydrophobicContact CE-CG1 3.54Å; Y542-V544 HydrophobicContact CE1-CG1 3.83Å; V544-T548 WeakPolarHBondContact CA-OG1 3.35Å
545G96.7Very high97.5Very high16 Ų1631 Ų3117%0.16515%0.145CC..SBendtrans170.9-150.7-177.100000112.5S547 T548 Y549G545-S547 PolarHBondContact O-N 2.84Å; G545-T548 PolarHBondContact N-OG1 2.89Å; G545-T548 VanDerWaalsContact N-OG1 3.08Å; G545-T548 WeakPolarHBondContact O-CA 3.37Å; G545-T548 WeakPolarHBondContact O-CB 3.41Å; G545-T548 PolarHBondContact O-N 2.77Å; G545-T548 PolarHBondContact O-OG1 2.67Å; G545-Y549 PolarHBondContact O-N 3.31Å; G545-Y549 VanDerWaalsContact O-N 3.16Å
546W98.1Very high97.6Very high10 Ų1030.3 Ų30.34%0.03814%0.139CC..Hα-helixtrans-57.8-43-173.9-168.960.2000113.6L526 T548 Y549 L550 W610 M634 Y732 M735 A736L526-W546 HydrophobicContact CD2-CE3 4.5Å; L526-W546 HydrophobicContact CD2-CH2 3.83Å; L526-W546 HydrophobicContact CD2-CZ3 3.63Å; W546-T548 PolarHBondContact O-N 3.26Å; W546-Y549 AromaticContact CD1-CD1 3.91Å; W546-Y549 WeakPolarHBondContact O-CB 3.44Å; W546-Y549 PolarHBondContact O-N 3.3Å; W546-Y549 VanDerWaalsContact O-N 3.12Å; W546-L550 HydrophobicContact CD2-CD1 3.75Å; W546-L550 HydrophobicContact CD2-CG 4.26Å; W546-L550 HydrophobicContact CE3-CD1 3.78Å; W546-L550 HydrophobicContact CH2-CD1 3.8Å; W546-L550 HydrophobicContact CZ2-CD1 3.77Å; W546-L550 HydrophobicContact CZ2-CD2 4.3Å; W546-L550 HydrophobicContact CZ2-CG 4.38Å; W546-L550 HydrophobicContact CZ3-CD1 3.81Å; W546-L550 WeakPolarHBondContact O-CG 3.3Å; W546-L550 PolarHBondContact O-N 3.43Å; W546-W610 HydrophobicContact CE3-CD2 4.41Å; W546-W610 AromaticContact CE3-CE2 3.8Å; W546-W610 HydrophobicContact CE3-CH2 4.21Å; W546-W610 AromaticContact CE3-CZ2 3.69Å; W546-W610 HydrophobicContact CE3-CZ2 3.69Å; W546-W610 AromaticContact CZ3-CD1 3.9Å; W546-W610 AromaticContact CZ3-CD2 3.68Å; W546-W610 HydrophobicContact CZ3-CD2 3.68Å; W546-W610 AromaticContact CZ3-CE2 3.41Å; W546-W610 VanDerWaalsContact CZ3-CE2 3.41Å; W546-W610 HydrophobicContact CZ3-CE3 4.32Å; W546-W610 AromaticContact CZ3-CG 3.95Å; W546-W610 HydrophobicContact CZ3-CG 3.95Å; W546-W610 HydrophobicContact CZ3-CH2 4.37Å; W546-W610 AromaticContact CZ3-CZ2 3.8Å; W546-W610 HydrophobicContact CZ3-CZ2 3.8Å; W546-W610 AromaticContact CZ3-NE1 3.55Å; W546-M634 HydrophobicContact CH2-CE 4.01Å; W546-Y732 HydrophobicContact CB-CD1 3.74Å; W546-Y732 HydrophobicContact CB-CE1 3.78Å; W546-Y732 AromaticContact CD1-CD1 3.68Å; W546-Y732 AromaticContact CD2-CD1 3.68Å; W546-Y732 HydrophobicContact CD2-CD1 3.68Å; W546-Y732 HydrophobicContact CD2-CE1 4.08Å; W546-Y732 HydrophobicContact CE3-CD1 4.25Å; W546-Y732 HydrophobicContact CE3-CE1 4.26Å; W546-Y732 AromaticContact CG-CD1 3.43Å; W546-Y732 HydrophobicContact CG-CD1 3.43Å; W546-Y732 VanDerWaalsContact CG-CD1 3.43Å; W546-Y732 AromaticContact CG-CE1 3.89Å; W546-Y732 HydrophobicContact CG-CE1 3.89Å; W546-Y732 HydrophobicContact CG-CG 4.32Å; W546-Y732 PolarHBondContact NE1-O 2.73Å; W546-M735 HydrophobicContact CH2-CB 4.18Å; W546-M735 HydrophobicContact CH2-CE 3.69Å; W546-M735 HydrophobicContact CZ2-CB 3.87Å; W546-M735 HydrophobicContact CZ2-CE 4.34Å; W546-M735 HydrophobicContact CZ3-CE 3.88Å; W546-A736 HydrophobicContact CZ2-CB 4.5Å
547S98.3Very high97.7Very high14 Ų1428.7 Ų28.710%0.09813%0.132CC..Hα-helixtrans-61.9-28.5175-47.10000112.9G545 A551G545-S547 PolarHBondContact O-N 2.84Å; S547-A551 WeakPolarHBondContact O-CB 3.18Å; S547-A551 PolarHBondContact O-N 3.42Å; S547-A551 VanDerWaalsContact O-N 3.14Å
548T98.4Very high97.8Very high2 Ų225.9 Ų25.91%0.01212%0.12CC..Hα-helixtrans-68.6-45.9174.1-49.60000111Y44 M492 P493 V544 G545 W546 S552Y44-T548 HydrophobicContact CD1-CG2 3.81Å; Y44-T548 HydrophobicContact CD2-CG2 4.18Å; Y44-T548 HydrophobicContact CE1-CG2 4.08Å; Y44-T548 HydrophobicContact CE2-CG2 4.46Å; Y44-T548 HydrophobicContact CG-CG2 3.85Å; M492-T548 HydrophobicContact CE-CG2 3.67Å; M492-T548 HydrophobicContact SD-CG2 4.2Å; P493-T548 HydrophobicContact CG-CG2 3.85Å; V544-T548 WeakPolarHBondContact CA-OG1 3.35Å; G545-T548 PolarHBondContact N-OG1 2.89Å; G545-T548 VanDerWaalsContact N-OG1 3.08Å; G545-T548 WeakPolarHBondContact O-CA 3.37Å; G545-T548 WeakPolarHBondContact O-CB 3.41Å; G545-T548 PolarHBondContact O-N 2.77Å; G545-T548 PolarHBondContact O-OG1 2.67Å; W546-T548 PolarHBondContact O-N 3.26Å; T548-S552 WeakPolarHBondContact O-CB 3.22Å; T548-S552 PolarHBondContact O-N 3.2Å
549Y98.6Very high97.8Very high19 Ų1925.8 Ų25.88%0.07512%0.119CC..Hα-helixtrans-60.1-50.5175.2153.9-108.4000111.8Y44 G45 I46 G545 W546 A551 S552 T553 E554 A736Y44-Y549 WeakPolarHBondContact O-CD2 3.42Å; G45-Y549 VanDerWaalsContact C-CD2 3.49Å; I46-Y549 HydrophobicContact CB-CD1 4.24Å; I46-Y549 HydrophobicContact CB-CD2 3.98Å; I46-Y549 HydrophobicContact CB-CE1 4.05Å; I46-Y549 HydrophobicContact CB-CE2 3.82Å; I46-Y549 HydrophobicContact CB-CG 4.19Å; I46-Y549 HydrophobicContact CD1-CD1 3.63Å; I46-Y549 HydrophobicContact CD1-CE1 3.76Å; I46-Y549 HydrophobicContact CD1-CG 4.17Å; I46-Y549 HydrophobicContact CG1-CD1 4.46Å; I46-Y549 HydrophobicContact CG1-CE1 4.28Å; G545-Y549 PolarHBondContact O-N 3.31Å; G545-Y549 VanDerWaalsContact O-N 3.16Å; W546-Y549 AromaticContact CD1-CD1 3.91Å; W546-Y549 WeakPolarHBondContact O-CB 3.44Å; W546-Y549 PolarHBondContact O-N 3.3Å; W546-Y549 VanDerWaalsContact O-N 3.12Å; Y549-A551 PolarHBondContact O-N 2.82Å; Y549-S552 PolarHBondContact O-N 3.2Å; Y549-T553 HydrophobicContact CD2-CG2 4.43Å; Y549-T553 HydrophobicContact CE2-CG2 3.96Å; Y549-T553 WeakPolarHBondContact O-CB 3.2Å; Y549-T553 PolarHBondContact O-N 2.78Å; Y549-E554 HydrophobicContact CE1-CG 4.13Å; Y549-E554 HydrophobicContact CE2-CG 4.03Å; Y549-E554 WeakPolarHBondContact OH-CG 3.2Å; Y549-E554 PolarHBondContact OH-OE1 2.76Å; Y549-A736 HydrophobicContact CE1-CB 3.89Å
550L98.8Very high97.9Very high2 Ų225.6 Ų25.61%0.0112%0.118CC..Hα-helixtrans-60.4-43.6-178.4-70.1178.3000112.4L526 W546 E554 K555 V556 V558 L739L526-L550 HydrophobicContact CD2-CD1 3.4Å; L526-L550 VanDerWaalsContact CD2-CD1 3.4Å; W546-L550 HydrophobicContact CD2-CD1 3.75Å; W546-L550 HydrophobicContact CD2-CG 4.26Å; W546-L550 HydrophobicContact CE3-CD1 3.78Å; W546-L550 HydrophobicContact CH2-CD1 3.8Å; W546-L550 HydrophobicContact CZ2-CD1 3.77Å; W546-L550 HydrophobicContact CZ2-CD2 4.3Å; W546-L550 HydrophobicContact CZ2-CG 4.38Å; W546-L550 HydrophobicContact CZ3-CD1 3.81Å; W546-L550 WeakPolarHBondContact O-CG 3.3Å; W546-L550 PolarHBondContact O-N 3.43Å; L550-E554 HydrophobicContact CD2-CB 4.48Å; L550-E554 HydrophobicContact CD2-CG 4.2Å; L550-E554 CarbonylContact O-C 3.59Å; L550-E554 WeakPolarHBondContact O-CA 3.2Å; L550-E554 WeakPolarHBondContact O-CB 3.13Å; L550-E554 PolarHBondContact O-N 3.4Å; L550-K555 PolarHBondContact O-N 2.83Å; L550-V556 HydrophobicContact CB-CB 4.29Å; L550-V556 PolarHBondContact O-N 2.82Å; L550-V558 HydrophobicContact CB-CG2 3.88Å; L550-V558 HydrophobicContact CD1-CG2 4.05Å; L550-L739 HydrophobicContact CD1-CD2 4.08Å; L550-L739 HydrophobicContact CD2-CD2 3.96Å
551A98.7Very high97.9Very high0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-74.2-40178.300000112.8P493 P514 P515 S547 Y549 V556P493-A551 HydrophobicContact CB-CB 3.66Å; P493-A551 HydrophobicContact CG-CB 4.17Å; P514-A551 VanDerWaalsContact CA-O 3.3Å; P514-A551 WeakPolarHBondContact CA-O 3.36Å; P514-A551 WeakPolarHBondContact CB-O 3.47Å; P515-A551 WeakPolarHBondContact CD-O 3.35Å; S547-A551 WeakPolarHBondContact O-CB 3.18Å; S547-A551 PolarHBondContact O-N 3.42Å; S547-A551 VanDerWaalsContact O-N 3.14Å; Y549-A551 PolarHBondContact O-N 2.82Å; A551-V556 WeakPolarHBondContact CA-O 3.25Å; A551-V556 WeakPolarHBondContact CB-O 3.18Å
552S98.4Very high98Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-66.1-68.1178.4-1750000110.3M43 Y44 Q491 T548 Y549 K555M43-S552 WeakPolarHBondContact CE-O 3.27Å; M43-S552 WeakPolarHBondContact CE-OG 3.14Å; Y44-S552 PolarHBondContact N-OG 2.87Å; Q491-S552 WeakPolarHBondContact O-CB 3.39Å; Q491-S552 PolarHBondContact O-OG 3.43Å; T548-S552 WeakPolarHBondContact O-CB 3.22Å; T548-S552 PolarHBondContact O-N 3.2Å; Y549-S552 PolarHBondContact O-N 3.2Å; S552-K555 WeakPolarHBondContact O-CD 3.37Å; S552-K555 VanDerWaalsContact O-CE 3.25Å; S552-K555 WeakPolarHBondContact O-CE 3.49Å; S552-K555 PolarHBondContact O-NZ 2.84Å
553T98Very high98.1Very high47 Ų4718.5 Ų18.529%0.2889%0.092SC..THydrogen-bonded Turntrans-82.9-52.7-167.7-63.10000112M43 Y44 Y549 K555M43-T553 WeakPolarHBondContact CB-OG1 3.32Å; Y44-T553 PolarHBondContact O-OG1 2.86Å; Y549-T553 HydrophobicContact CD2-CG2 4.43Å; Y549-T553 HydrophobicContact CE2-CG2 3.96Å; Y549-T553 WeakPolarHBondContact O-CB 3.2Å; Y549-T553 PolarHBondContact O-N 2.78Å; T553-K555 VanDerWaalsContact C-N 3.27Å; T553-K555 PolarHBondContact O-N 2.98Å
554E98.1Very high98.3Very high65 Ų6515.5 Ų15.530%0.3048%0.081SC..SBendtrans-82.7-4.1-174.5-55.3-59.7156.600113.5Y549 L550 V556Y549-E554 HydrophobicContact CE1-CG 4.13Å; Y549-E554 HydrophobicContact CE2-CG 4.03Å; Y549-E554 WeakPolarHBondContact OH-CG 3.2Å; Y549-E554 PolarHBondContact OH-OE1 2.76Å; L550-E554 HydrophobicContact CD2-CB 4.48Å; L550-E554 HydrophobicContact CD2-CG 4.2Å; L550-E554 CarbonylContact O-C 3.59Å; L550-E554 WeakPolarHBondContact O-CA 3.2Å; L550-E554 WeakPolarHBondContact O-CB 3.13Å; L550-E554 PolarHBondContact O-N 3.4Å; E554-V556 HydrophobicContact CB-CG2 3.9Å; E554-V556 PolarHBondContact O-N 3.28Å
555K98.1Very high98.4Very high74 Ų7414.5 Ų14.532%0.3228%0.075SC..  trans54.931.1-178.1-50.5-60178-170.20113.5P514 L550 S552 T553P514-K555 HydrophobicContact CB-CB 4.45Å; P514-K555 HydrophobicContact CB-CD 3.87Å; P514-K555 HydrophobicContact CG-CB 4.33Å; L550-K555 PolarHBondContact O-N 2.83Å; S552-K555 WeakPolarHBondContact O-CD 3.37Å; S552-K555 VanDerWaalsContact O-CE 3.25Å; S552-K555 WeakPolarHBondContact O-CE 3.49Å; S552-K555 PolarHBondContact O-NZ 2.84Å; T553-K555 VanDerWaalsContact C-N 3.27Å; T553-K555 PolarHBondContact O-N 2.98Å
556V98.8Very high98.5Very high5 Ų513.9 Ų13.93%0.037%0.067CC..  trans-89127.3175.11800000109.6P524 L526 L550 A551 E554 V558 F743P524-V556 HydrophobicContact CG-CB 4.34Å; P524-V556 HydrophobicContact CG-CG2 3.87Å; L526-V556 HydrophobicContact CB-CG1 3.85Å; L550-V556 HydrophobicContact CB-CB 4.29Å; L550-V556 PolarHBondContact O-N 2.82Å; A551-V556 WeakPolarHBondContact CA-O 3.25Å; A551-V556 WeakPolarHBondContact CB-O 3.18Å; E554-V556 HydrophobicContact CB-CG2 3.9Å; E554-V556 PolarHBondContact O-N 3.28Å; V556-V558 HydrophobicContact CG1-CG2 4.49Å; V556-V558 PolarHBondContact O-N 2.63Å; V556-F743 HydrophobicContact CG1-CE2 4.07Å; V556-F743 HydrophobicContact CG2-CD2 4.34Å; V556-F743 HydrophobicContact CG2-CE2 4.11Å
557I98.9Very high98.4Very high0 Ų013.4 Ų13.40%07%0.066CC..EExtended strand (participates in β ladder)trans-72.7124.7169.2-69.5175.9000107.7M511 Y512 L513 P514 F517 Y523 P524 L525 L526 F601 I602M511-I557 HydrophobicContact CB-CG2 4.2Å; M511-I557 HydrophobicContact CG-CG2 4.32Å; M511-I557 HydrophobicContact SD-CG2 4.37Å; Y512-I557 WeakPolarHBondContact O-CA 3.43Å; L513-I557 HydrophobicContact CD2-CD1 3.85Å; L513-I557 HydrophobicContact CD2-CG1 4.08Å; L513-I557 HydrophobicContact CD2-CG2 4.21Å; P514-I557 HydrophobicContact CG-CG1 4.36Å; F517-I557 HydrophobicContact CD2-CD1 4.42Å; F517-I557 HydrophobicContact CE2-CD1 3.85Å; Y523-I557 HydrophobicContact CD2-CD1 3.91Å; Y523-I557 HydrophobicContact CG-CD1 3.98Å; Y523-I557 HydrophobicContact CG-CG1 4.27Å; P524-I557 PolarHBondContact O-N 2.82Å; L525-I557 WeakPolarHBondContact CA-O 3.38Å; L525-I557 HydrophobicContact CD1-CB 4.34Å; L525-I557 HydrophobicContact CD1-CG2 3.91Å; L526-I557 PolarHBondContact N-O 3.31Å; I557-F601 HydrophobicContact CD1-CD2 3.67Å; I557-F601 HydrophobicContact CD1-CE2 3.9Å; I557-I602 HydrophobicContact CB-CD1 4.23Å; I557-I602 HydrophobicContact CD1-CD1 3.7Å; I557-I602 HydrophobicContact CG2-CD1 4.25Å
558V98.9Very high98.4Very high1 Ų114.9 Ų14.91%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-107.4117.6175.2-172.90000109M511 Y512 L526 D528 L550 V556M511-V558 CarbonylContact C-O 3.55Å; M511-V558 WeakPolarHBondContact CA-O 3.38Å; Y512-V558 HydrophobicContact CD2-CB 4.44Å; Y512-V558 PolarHBondContact N-O 2.83Å; Y512-V558 PolarHBondContact O-N 2.58Å; L526-V558 HydrophobicContact CB-CG2 4.42Å; L526-V558 HydrophobicContact CD2-CG1 4.48Å; L526-V558 HydrophobicContact CD2-CG2 4.44Å; L526-V558 CarbonylContact O-C 3.34Å; L526-V558 WeakPolarHBondContact O-CA 3.28Å; D528-V558 HydrophobicContact CB-CG1 3.87Å; L550-V558 HydrophobicContact CB-CG2 3.88Å; L550-V558 HydrophobicContact CD1-CG2 4.05Å; V556-V558 HydrophobicContact CG1-CG2 4.49Å; V556-V558 PolarHBondContact O-N 2.63Å
559A98.9Very high98.3Very high0 Ų016.5 Ų16.50%08%0.077CC..EExtended strand (participates in β ladder)trans-113.3144-178.700000112Q510 M511 L525 L526 I527 D528 F596Q510-A559 CarbonylContact O-C 3.58Å; Q510-A559 VanDerWaalsContact O-CA 3.23Å; Q510-A559 WeakPolarHBondContact O-CA 3.2Å; M511-A559 HydrophobicContact CE-CB 4.34Å; M511-A559 HydrophobicContact CG-CB 3.82Å; L525-A559 HydrophobicContact CD1-CB 3.84Å; L526-A559 PolarHBondContact O-N 3.28Å; I527-A559 CarbonylContact C-O 3.53Å; I527-A559 WeakPolarHBondContact CA-O 3.16Å; I527-A559 HydrophobicContact CD1-CB 4.04Å; D528-A559 PolarHBondContact N-O 2.7Å; A559-F596 HydrophobicContact CB-CD2 4.2Å; A559-F596 HydrophobicContact CB-CE2 3.89Å
560S98.8Very high98.3Very high2 Ų215.7 Ų15.71%0.0148%0.075CC..EExtended strand (participates in β ladder)trans-125.2146.6166.6-56.20000109.7Y509 Q510 D528Y509-S560 CarbonylContact C-O 3.43Å; Y509-S560 VanDerWaalsContact CA-O 3.22Å; Y509-S560 WeakPolarHBondContact CA-O 3.42Å; Y509-S560 WeakPolarHBondContact CB-O 3.25Å; Q510-S560 PolarHBondContact N-O 2.97Å; Q510-S560 PolarHBondContact O-N 2.98Å; D528-S560 WeakPolarHBondContact O-CB 3.17Å; D528-S560 PolarHBondContact O-OG 2.9Å
561F98.8Very high98.3Very high6 Ų615.7 Ų15.73%0.0268%0.075CC..EExtended strand (participates in β ladder)trans-137.9127.2-176.9-179.2-110.1000110.8L500 I502 L507 W508 D588 Q589 A592 F596L500-F561 HydrophobicContact CB-CE2 4.16Å; L500-F561 HydrophobicContact CD1-CD2 4.48Å; L500-F561 HydrophobicContact CD1-CE2 4.05Å; L500-F561 HydrophobicContact CG-CE2 4.4Å; I502-F561 HydrophobicContact CD1-CE1 3.85Å; I502-F561 HydrophobicContact CD1-CZ 3.49Å; I502-F561 VanDerWaalsContact CD1-CZ 3.49Å; I502-F561 HydrophobicContact CG1-CZ 4.35Å; L507-F561 HydrophobicContact CB-CE1 4.35Å; L507-F561 HydrophobicContact CB-CE2 3.59Å; L507-F561 HydrophobicContact CB-CZ 3.36Å; L507-F561 HydrophobicContact CD1-CE1 4.15Å; L507-F561 HydrophobicContact CD1-CZ 3.69Å; L507-F561 HydrophobicContact CG-CZ 4.17Å; W508-F561 WeakPolarHBondContact O-CA 3.35Å; W508-F561 WeakPolarHBondContact O-CD2 3.47Å; F561-D588 HydrophobicContact CE1-CB 4.04Å; F561-Q589 PolarHBondContact O-NE2 3.47Å; F561-A592 HydrophobicContact CB-CB 4.2Å; F561-A592 HydrophobicContact CD1-CB 3.52Å; F561-A592 HydrophobicContact CD2-CB 3.87Å; F561-A592 HydrophobicContact CE1-CB 3.72Å; F561-A592 HydrophobicContact CE2-CB 4.05Å; F561-A592 HydrophobicContact CG-CB 3.58Å; F561-A592 HydrophobicContact CZ-CB 3.97Å; F561-F596 HydrophobicContact CB-CZ 4.44Å; F561-F596 HydrophobicContact CD2-CZ 4.45Å
562D98.8Very high98.2Very high4 Ų419.6 Ų19.62%0.0219%0.093CC..EExtended strand (participates in β ladder)trans-97.3110.5174.5-76.9-33.4000109.7L507 W508 Q536 K537 V538L507-D562 WeakPolarHBondContact CB-O 3.37Å; W508-D562 PolarHBondContact O-N 2.85Å; Q536-D562 WeakPolarHBondContact CG-OD2 3.38Å; K537-D562 PolarHBondContact N-OD1 3Å; K537-D562 PolarHBondContact N-OD2 2.86Å; K537-D562 VanDerWaalsContact N-OD2 3.07Å; V538-D562 WeakPolarHBondContact CA-OD2 3.24Å; V538-D562 VanDerWaalsContact CB-OD2 3.32Å; V538-D562 WeakPolarHBondContact CB-OD2 3.16Å; V538-D562 HydrophobicContact CG2-CB 4.37Å; V538-D562 PolarHBondContact N-OD2 2.92Å
563G98.3Very high98.2Very high2 Ų219.7 Ų19.72%0.0219%0.093CC..  trans-99.4-161.7-175.700000114.1S566G563-S566 PolarHBondContact N-OG 2.99Å; G563-S566 VanDerWaalsContact O-CB 3.29Å; G563-S566 WeakPolarHBondContact O-CB 3.18Å; G563-S566 PolarHBondContact O-N 3.43Å; G563-S566 PolarHBondContact O-OG 3.13Å
564R98.6Very high98.2Very high36 Ų3617.5 Ų17.514%0.1368%0.08CC..THydrogen-bonded Turntrans-59.5138.3165.9-72.8175.1-75169.64.3110.2Y505 L573 E576 F584 E587 D588Y505-R564 HydrophobicContact CD2-CG 3.98Å; Y505-R564 HydrophobicContact CE2-CG 3.94Å; R564-L573 HydrophobicContact CB-CD1 4.36Å; R564-L573 HydrophobicContact CG-CD1 3.76Å; R564-E576 HydrophobicContact CB-CB 3.85Å; R564-E576 HydrophobicContact CB-CG 4.24Å; R564-E576 HydrophobicContact CG-CB 4.1Å; R564-E576 HydrophobicContact CG-CG 3.95Å; R564-F584 HydrophobicContact CB-CB 4.01Å; R564-F584 VanDerWaalsContact CZ-CG 3.48Å; R564-F584 VanDerWaalsContact NH1-CG 3.32Å; R564-F584 VanDerWaalsContact NH2-CD1 3.32Å; R564-E587 IonicContact NH2-OE2 3.09Å; R564-E587 PolarHBondContact NH2-OE2 3.23Å; R564-D588 VanDerWaalsContact CB-OD2 3.27Å; R564-D588 WeakPolarHBondContact CB-OD2 3.49Å; R564-D588 WeakPolarHBondContact CG-OD2 3.2Å; R564-D588 IonicContact CZ-OD1 3.57Å; R564-D588 IonicContact CZ-OD2 3.52Å; R564-D588 PolarHBondContact N-OD2 3.11Å; R564-D588 IonicContact NE-OD1 3.61Å; R564-D588 PolarHBondContact NE-OD1 2.84Å; R564-D588 VanDerWaalsContact NE-OD1 3.15Å; R564-D588 IonicContact NE-OD2 2.72Å; R564-D588 PolarHBondContact NE-OD2 3.11Å; R564-D588 IonicContact NH2-OD1 2.72Å; R564-D588 PolarHBondContact NH2-OD1 3.29Å; R564-D588 IonicContact NH2-OD2 3.46Å
565G98Very high98.2Very high0 Ų015.6 Ų15.60%07%0.071CC..THydrogen-bonded Turntrans96.5-25.2-171.500000115.2C534 L573 M574C534-G565 PolarHBondContact N-O 3.08Å; G565-L573 PolarHBondContact N-O 3.13Å; G565-M574 WeakPolarHBondContact CA-O 3.43Å
566S97.9Very high98.2Very high2 Ų214 Ų141%0.0146%0.064CC..  trans-64149.7174-630000111.6S535 G563S535-S566 WeakPolarHBondContact O-CA 3.42Å; S535-S566 WeakPolarHBondContact O-CB 3.19Å; G563-S566 PolarHBondContact N-OG 2.99Å; G563-S566 VanDerWaalsContact O-CB 3.29Å; G563-S566 WeakPolarHBondContact O-CB 3.18Å; G563-S566 PolarHBondContact O-N 3.43Å; G563-S566 PolarHBondContact O-OG 3.13Å
567G97Very high98.1Very high1 Ų113.7 Ų13.71%0.016%0.063CC..SBendtrans-83.2-176.8179.300000113.8S535 Q569S535-G567 PolarHBondContact O-N 2.83Å; G567-Q569 VanDerWaalsContact C-N 3.28Å; G567-Q569 PolarHBondContact O-N 2.86Å
568Y97.6Very high98.1Very high44 Ų4414.8 Ų14.817%0.1737%0.067CC..SBendtrans70.411.1169-49.2-85.9000116.3E389 I391 N406 Q536E389-Y568 WeakPolarHBondContact OE1-CA 3.35Å; E389-Y568 WeakPolarHBondContact OE2-CA 3.2Å; I391-Y568 HydrophobicContact CD1-CD1 3.89Å; I391-Y568 HydrophobicContact CD1-CE1 4.13Å; I391-Y568 HydrophobicContact CG1-CD1 4.02Å; I391-Y568 HydrophobicContact CG1-CE1 4.17Å; I391-Y568 HydrophobicContact CG2-CE1 4.09Å; N406-Y568 PolarHBondContact ND2-O 2.66Å; Q536-Y568 HydrophobicContact CB-CD2 3.69Å; Q536-Y568 HydrophobicContact CB-CE2 3.77Å; Q536-Y568 HydrophobicContact CG-CD2 4.27Å
569Q97.3Very high98.1Very high36 Ų3618.8 Ų18.817%0.1688%0.084CC..SBendtrans-129.821.3176.4-68.6-168.4-11600113Y369 E389 P412 N506 G567 L573Y369-Q569 WeakPolarHBondContact CE1-O 3.37Å; E389-Q569 PolarHBondContact OE1-N 3.46Å; P412-Q569 HydrophobicContact CB-CG 3.43Å; P412-Q569 VanDerWaalsContact CB-CG 3.43Å; P412-Q569 VanDerWaalsContact CG-CD 3.44Å; P412-Q569 HydrophobicContact CG-CG 3.37Å; N506-Q569 PolarHBondContact O-NE2 2.82Å; G567-Q569 VanDerWaalsContact C-N 3.28Å; G567-Q569 PolarHBondContact O-N 2.86Å; Q569-L573 HydrophobicContact CB-CD2 3.64Å; Q569-L573 HydrophobicContact CG-CD2 4.28Å
570G97.6Very high98Very high2 Ų224.5 Ų24.52%0.02111%0.106CC..  trans92153.3-177.600000113.1M368 E389 Q572 L573 M574M368-G570 CarbonylContact O-C 3.55Å; M368-G570 VanDerWaalsContact O-CA 3.25Å; M368-G570 WeakPolarHBondContact O-CA 3.46Å; E389-G570 WeakPolarHBondContact OE1-CA 2.91Å; E389-G570 PolarHBondContact OE1-N 2.9Å; G570-Q572 PolarHBondContact O-N 2.86Å; G570-L573 PolarHBondContact O-N 2.84Å; G570-M574 PolarHBondContact O-N 2.02Å
571D98.1Very high98Very high2 Ų224.4 Ų24.41%0.01111%0.105CC..Hα-helixtrans-63.5-24.9-178.3-72.4-7.4000112.1S364 M368 K370 L573 M574 F575S364-D571 VanDerWaalsContact CB-OD2 3.27Å; S364-D571 WeakPolarHBondContact CB-OD2 3.38Å; S364-D571 PolarHBondContact OG-OD2 2.77Å; M368-D571 HydrophobicContact CB-CB 4.04Å; M368-D571 PolarHBondContact O-N 2.83Å; K370-D571 WeakPolarHBondContact CE-OD1 3.23Å; K370-D571 VanDerWaalsContact NZ-CG 3.34Å; K370-D571 IonicContact NZ-OD1 2.66Å; K370-D571 PolarHBondContact NZ-OD1 2.91Å; K370-D571 IonicContact NZ-OD2 2.68Å; K370-D571 PolarHBondContact NZ-OD2 2.88Å; D571-L573 VanDerWaalsContact C-N 3.33Å; D571-L573 PolarHBondContact O-N 3.49Å; D571-M574 PolarHBondContact O-N 3.17Å; D571-M574 WeakPolarHBondContact OD1-CE 3.47Å; D571-F575 HydrophobicContact CB-CD2 3.85Å; D571-F575 HydrophobicContact CB-CE1 4.24Å; D571-F575 HydrophobicContact CB-CE2 3.53Å; D571-F575 HydrophobicContact CB-CG 4.33Å; D571-F575 HydrophobicContact CB-CZ 3.73Å; D571-F575 VanDerWaalsContact O-CB 3.22Å; D571-F575 WeakPolarHBondContact O-CB 3.31Å; D571-F575 WeakPolarHBondContact O-CG 3.44Å; D571-F575 PolarHBondContact O-N 3.2Å
572Q97.4Very high97.9Very high83 Ų8324.4 Ų24.439%0.38811%0.106SC..Hα-helixtrans-59.5-44.5176.2-166.817151.300112M368 R504 Y505 G570 E576M368-Q572 HydrophobicContact CE-CB 3.65Å; M368-Q572 HydrophobicContact CE-CG 3.83Å; M368-Q572 HydrophobicContact SD-CB 4.35Å; R504-Q572 VanDerWaalsContact NH1-CD 3.31Å; R504-Q572 VanDerWaalsContact NH2-CD 3.27Å; R504-Q572 VanDerWaalsContact NH2-CG 3.29Å; Y505-Q572 PolarHBondContact OH-O 3.36Å; G570-Q572 PolarHBondContact O-N 2.86Å; Q572-E576 WeakPolarHBondContact O-CG 3.37Å
573L98Very high97.8Very high2 Ų226.3 Ų26.31%0.0112%0.118CC..Hα-helixtrans-72.1-43.4176-178.873.8000110.9Y505 L507 R564 G565 Q569 G570 D571 F575 E576Y505-L573 HydrophobicContact CD1-CB 4.47Å; Y505-L573 HydrophobicContact CD1-CD1 3.63Å; Y505-L573 HydrophobicContact CD2-CD1 3.74Å; Y505-L573 HydrophobicContact CE1-CB 4.12Å; Y505-L573 HydrophobicContact CE1-CD1 3.82Å; Y505-L573 HydrophobicContact CE2-CD1 3.92Å; Y505-L573 HydrophobicContact CG-CD1 3.58Å; L507-L573 HydrophobicContact CD2-CD1 3.65Å; L507-L573 HydrophobicContact CD2-CD2 4.03Å; R564-L573 HydrophobicContact CB-CD1 4.36Å; R564-L573 HydrophobicContact CG-CD1 3.76Å; G565-L573 PolarHBondContact N-O 3.13Å; Q569-L573 HydrophobicContact CB-CD2 3.64Å; Q569-L573 HydrophobicContact CG-CD2 4.28Å; G570-L573 PolarHBondContact O-N 2.84Å; D571-L573 VanDerWaalsContact C-N 3.33Å; D571-L573 PolarHBondContact O-N 3.49Å; L573-F575 PolarHBondContact O-N 2.87Å; L573-E576 PolarHBondContact O-N 2.97Å
574M97.7Very high97.8Very high0 Ų027.9 Ų27.90%012%0.124CC..Hα-helixtrans-65.8-37.3-174.6-171.8172.469.300112.2W341 R344 C534 G565 G570 D571 E576W341-M574 HydrophobicContact CH2-CG 4.05Å; W341-M574 WeakPolarHBondContact CH2-O 3.37Å; W341-M574 HydrophobicContact CZ2-CE 3.94Å; W341-M574 HydrophobicContact CZ2-CG 3.56Å; W341-M574 HydrophobicContact CZ2-SD 3.98Å; R344-M574 HydrophobicContact CG-SD 4.25Å; C534-M574 HydrophobicContact CB-SD 4.16Å; C534-M574 VanDerWaalsContact SG-SD 3.69Å; G565-M574 WeakPolarHBondContact CA-O 3.43Å; G570-M574 PolarHBondContact O-N 2.02Å; D571-M574 PolarHBondContact O-N 3.17Å; D571-M574 WeakPolarHBondContact OD1-CE 3.47Å; M574-E576 PolarHBondContact O-N 3.17Å
575F98.3Very high97.8Very high26 Ų2626.2 Ų26.211%0.11412%0.118CC..G310 helixtrans-85.8-0.7-176.5-62.2-13.8000114.4S338 P339 W341 D571 L573 I577 Y578S338-F575 WeakPolarHBondContact OG-CE2 3.29Å; S338-F575 WeakPolarHBondContact OG-CZ 3.34Å; P339-F575 HydrophobicContact CG-CD2 4.2Å; P339-F575 HydrophobicContact CG-CE2 4.06Å; W341-F575 AromaticContact CD2-CD1 3.93Å; W341-F575 HydrophobicContact CD2-CD1 3.93Å; W341-F575 AromaticContact CD2-CE1 3.52Å; W341-F575 HydrophobicContact CD2-CE1 3.52Å; W341-F575 HydrophobicContact CD2-CZ 4.46Å; W341-F575 AromaticContact CE2-CD1 3.93Å; W341-F575 AromaticContact CE2-CE1 3.53Å; W341-F575 AromaticContact CE3-CD1 3.66Å; W341-F575 HydrophobicContact CE3-CD1 3.66Å; W341-F575 AromaticContact CE3-CE1 3.72Å; W341-F575 HydrophobicContact CE3-CE1 3.72Å; W341-F575 HydrophobicContact CG-CE1 4.13Å; W341-F575 AromaticContact CH2-CD1 3.48Å; W341-F575 HydrophobicContact CH2-CD1 3.48Å; W341-F575 VanDerWaalsContact CH2-CD1 3.48Å; W341-F575 AromaticContact CH2-CE1 3.99Å; W341-F575 HydrophobicContact CH2-CE1 3.99Å; W341-F575 AromaticContact CZ2-CD1 3.74Å; W341-F575 HydrophobicContact CZ2-CD1 3.74Å; W341-F575 AromaticContact CZ2-CE1 3.79Å; W341-F575 HydrophobicContact CZ2-CE1 3.79Å; W341-F575 AromaticContact CZ3-CD1 3.42Å; W341-F575 HydrophobicContact CZ3-CD1 3.42Å; W341-F575 VanDerWaalsContact CZ3-CD1 3.42Å; W341-F575 AromaticContact CZ3-CE1 3.95Å; W341-F575 HydrophobicContact CZ3-CE1 3.95Å; W341-F575 HydrophobicContact CZ3-CG 4.3Å; W341-F575 VanDerWaalsContact O-CZ 3.32Å; W341-F575 WeakPolarHBondContact O-CZ 3.1Å; D571-F575 HydrophobicContact CB-CD2 3.85Å; D571-F575 HydrophobicContact CB-CE1 4.24Å; D571-F575 HydrophobicContact CB-CE2 3.53Å; D571-F575 HydrophobicContact CB-CG 4.33Å; D571-F575 HydrophobicContact CB-CZ 3.73Å; D571-F575 VanDerWaalsContact O-CB 3.22Å; D571-F575 WeakPolarHBondContact O-CB 3.31Å; D571-F575 WeakPolarHBondContact O-CG 3.44Å; D571-F575 PolarHBondContact O-N 3.2Å; L573-F575 PolarHBondContact O-N 2.87Å; F575-I577 PolarHBondContact O-N 2.89Å; F575-I577 VanDerWaalsContact O-N 3.17Å; F575-Y578 WeakPolarHBondContact O-CB 3.43Å; F575-Y578 PolarHBondContact O-N 2.8Å
576E97.9Very high97.8Very high39 Ų3926.7 Ų26.718%0.18212%0.121CC..G310 helixtrans-56.6-32.9177.1-73.6-72.7169.300112.1R504 Y505 R564 Q572 L573 M574 Y578 R580 F584R504-E576 IonicContact CZ-OE1 3.84Å; R504-E576 IonicContact NH2-OE1 3.59Å; R504-E576 PolarHBondContact NH2-OE1 2.81Å; Y505-E576 HydrophobicContact CE2-CG 4.11Å; Y505-E576 PolarHBondContact OH-OE1 2.78Å; R564-E576 HydrophobicContact CB-CB 3.85Å; R564-E576 HydrophobicContact CB-CG 4.24Å; R564-E576 HydrophobicContact CG-CB 4.1Å; R564-E576 HydrophobicContact CG-CG 3.95Å; Q572-E576 WeakPolarHBondContact O-CG 3.37Å; L573-E576 PolarHBondContact O-N 2.97Å; M574-E576 PolarHBondContact O-N 3.17Å; E576-Y578 VanDerWaalsContact C-N 3.34Å; E576-R580 WeakPolarHBondContact O-CD 3.38Å; E576-F584 HydrophobicContact CB-CD2 3.98Å; E576-F584 HydrophobicContact CB-CE2 4.43Å; E576-F584 WeakPolarHBondContact O-CD2 3.46Å; E576-F584 WeakPolarHBondContact O-CE2 3.22Å
577I98Very high97.9Very high0 Ų031.1 Ų31.10%014%0.142CC..G310 helixtrans-87.10.8179.164173000113.6P533 F575 K579 R580 L581 F584 E585P533-I577 HydrophobicContact CB-CD1 3.98Å; P533-I577 HydrophobicContact CG-CD1 3.65Å; F575-I577 PolarHBondContact O-N 2.89Å; F575-I577 VanDerWaalsContact O-N 3.17Å; I577-K579 PolarHBondContact O-N 2.83Å; I577-R580 CarbonylContact O-C 3.56Å; I577-R580 WeakPolarHBondContact O-CG 2.93Å; I577-R580 PolarHBondContact O-N 2.97Å; I577-L581 HydrophobicContact CB-CD2 4.19Å; I577-L581 HydrophobicContact CD1-CD2 3.67Å; I577-L581 HydrophobicContact CG1-CD2 4Å; I577-L581 PolarHBondContact O-N 2.89Å; I577-F584 HydrophobicContact CG2-CB 4.16Å; I577-E585 VanDerWaalsContact CG2-OE2 3.26Å; I577-E585 WeakPolarHBondContact CG2-OE2 3.32Å
578Y98.4Very high97.9Very high22 Ų2231.1 Ų31.19%0.08614%0.141CC..THydrogen-bonded Turntrans-60.9128.4-179.5-172-131.8000110.9W341 F575 E576 R580 R652 Y653W341-Y578 AromaticContact CE3-CD2 3.83Å; W341-Y578 HydrophobicContact CE3-CD2 3.83Å; W341-Y578 HydrophobicContact CE3-CE2 4.34Å; W341-Y578 HydrophobicContact CE3-CG 4.46Å; W341-Y578 AromaticContact CZ3-CD2 3.91Å; W341-Y578 HydrophobicContact CZ3-CD2 3.91Å; W341-Y578 HydrophobicContact CZ3-CG 4.3Å; F575-Y578 WeakPolarHBondContact O-CB 3.43Å; F575-Y578 PolarHBondContact O-N 2.8Å; E576-Y578 VanDerWaalsContact C-N 3.34Å; Y578-R580 PolarHBondContact O-N 3.01Å; Y578-R580 PolarHBondContact O-NE 3.1Å; Y578-R652 WeakPolarHBondContact CE2-O 3.39Å; Y578-Y653 VanDerWaalsContact CD2-O 3.26Å; Y578-Y653 WeakPolarHBondContact CD2-O 3.49Å
579K98.1Very high98Very high85 Ų8529 Ų2937%0.3713%0.133SC..THydrogen-bonded Turntrans69.19.1-175.1-47.3-176.2-168.3-165.50115.3I577 Y653 M654 M655 N660I577-K579 PolarHBondContact O-N 2.83Å; K579-Y653 WeakPolarHBondContact CA-O 3.48Å; K579-Y653 PolarHBondContact N-O 2.81Å; K579-M654 VanDerWaalsContact C-SD 3.52Å; K579-M655 HydrophobicContact CD-CG 4.43Å; K579-M655 HydrophobicContact CD-SD 3.67Å; K579-M655 WeakPolarHBondContact CE-SD 3.47Å; K579-M655 HydrophobicContact CG-CG 4.32Å; K579-M655 HydrophobicContact CG-SD 4.2Å; K579-M655 PolarHBondContact NZ-SD 3.09Å; K579-N660 PolarHBondContact O-ND2 3Å
580R97.7Very high98.1Very high121 Ų12128 Ų2846%0.45713%0.129SC..  trans-151.342.7-16965.1-177.595.9-178.68.1113.3E576 I577 Y578 T583 M654E576-R580 WeakPolarHBondContact O-CD 3.38Å; I577-R580 CarbonylContact O-C 3.56Å; I577-R580 WeakPolarHBondContact O-CG 2.93Å; I577-R580 PolarHBondContact O-N 2.97Å; Y578-R580 PolarHBondContact O-N 3.01Å; Y578-R580 PolarHBondContact O-NE 3.1Å; R580-T583 HydrophobicContact CB-CG2 4.06Å; R580-T583 WeakPolarHBondContact CG-OG1 3.38Å; R580-T583 WeakPolarHBondContact O-CB 3.47Å; R580-T583 VanDerWaalsContact O-CG2 3.26Å; R580-T583 WeakPolarHBondContact O-CG2 3.3Å; R580-T583 PolarHBondContact O-N 3.35Å; R580-T583 PolarHBondContact O-OG1 2.97Å; R580-M654 PolarHBondContact N-SD 3.49Å
581L98.4Very high98.1Very high0 Ų030.4 Ų30.40%014%0.143CC..THydrogen-bonded Turntrans-53145.2175.5-63.2-173.1000111.4P533 I577 Y614 Y617 W642 Y653 M654 S667P533-L581 HydrophobicContact CG-CD2 3.82Å; I577-L581 HydrophobicContact CB-CD2 4.19Å; I577-L581 HydrophobicContact CD1-CD2 3.67Å; I577-L581 HydrophobicContact CG1-CD2 4Å; I577-L581 PolarHBondContact O-N 2.89Å; L581-Y614 HydrophobicContact CD1-CE2 4.17Å; L581-Y614 WeakPolarHBondContact CD2-OH 3.48Å; L581-Y617 PolarHBondContact O-OH 2.86Å; L581-W642 HydrophobicContact CB-CZ2 4.18Å; L581-W642 HydrophobicContact CD1-CD2 3.99Å; L581-W642 HydrophobicContact CD1-CE3 4.26Å; L581-W642 HydrophobicContact CD1-CH2 4.1Å; L581-W642 HydrophobicContact CD1-CZ2 3.72Å; L581-W642 HydrophobicContact CD1-CZ3 4.33Å; L581-Y653 HydrophobicContact CD1-CD2 4.4Å; L581-Y653 HydrophobicContact CD2-CG 4.49Å; L581-M654 HydrophobicContact CB-CG 4.37Å; L581-M654 HydrophobicContact CB-SD 3.79Å; L581-M654 HydrophobicContact CD1-CG 3.76Å; L581-M654 HydrophobicContact CD1-SD 4.24Å; L581-M654 HydrophobicContact CG-CG 3.8Å; L581-M654 HydrophobicContact CG-SD 3.61Å; L581-M654 PolarHBondContact N-SD 2.82Å; L581-S667 WeakPolarHBondContact O-CB 3.2Å
582G97.4Very high98.2Very high5 Ų530.3 Ų30.35%0.05214%0.142CC..THydrogen-bonded Turntrans74.724.7-174.800000115.1E585 V586 Y617G582-E585 PolarHBondContact N-OE1 3.21Å; G582-E585 PolarHBondContact N-OE2 3.39Å; G582-V586 WeakPolarHBondContact O-CG2 3.44Å; G582-Y617 VanDerWaalsContact CA-OH 3.23Å; G582-Y617 WeakPolarHBondContact CA-OH 3.41Å; G582-Y617 PolarHBondContact N-OH 3.35Å
583T97.1Very high98.2Very high44 Ų4426.3 Ų26.327%0.2712%0.124SC..SBendtrans-111.8-88177.260.30000110.7R580 E585 V586 E587R580-T583 HydrophobicContact CB-CG2 4.06Å; R580-T583 WeakPolarHBondContact CG-OG1 3.38Å; R580-T583 WeakPolarHBondContact O-CB 3.47Å; R580-T583 VanDerWaalsContact O-CG2 3.26Å; R580-T583 WeakPolarHBondContact O-CG2 3.3Å; R580-T583 PolarHBondContact O-N 3.35Å; R580-T583 PolarHBondContact O-OG1 2.97Å; T583-E585 VanDerWaalsContact C-N 3.33Å; T583-E585 PolarHBondContact N-OE2 3.42Å; T583-E585 PolarHBondContact O-N 2.73Å; T583-V586 WeakPolarHBondContact O-CB 3.2Å; T583-V586 PolarHBondContact O-N 2.75Å; T583-E587 PolarHBondContact O-N 3.4Å
584F98.2Very high98.3Very high35 Ų3530.7 Ų30.715%0.15414%0.143CC..Hα-helixtrans-65.1-36.1-173-68.2-43.7000113.3R564 E576 I577 V586 E587 D588R564-F584 HydrophobicContact CB-CB 4.01Å; R564-F584 VanDerWaalsContact CZ-CG 3.48Å; R564-F584 VanDerWaalsContact NH1-CG 3.32Å; R564-F584 VanDerWaalsContact NH2-CD1 3.32Å; E576-F584 HydrophobicContact CB-CD2 3.98Å; E576-F584 HydrophobicContact CB-CE2 4.43Å; E576-F584 WeakPolarHBondContact O-CD2 3.46Å; E576-F584 WeakPolarHBondContact O-CE2 3.22Å; I577-F584 HydrophobicContact CG2-CB 4.16Å; F584-V586 PolarHBondContact O-N 2.73Å; F584-E587 WeakPolarHBondContact CD1-OE2 3.3Å; F584-E587 PolarHBondContact O-N 3.31Å; F584-D588 WeakPolarHBondContact O-CB 3.33Å; F584-D588 PolarHBondContact O-N 3.45Å
585E97.7Very high98.3Very high1 Ų133.9 Ų33.91%0.00516%0.158CC..Hα-helixtrans-62.4-34.3174.466.6-87.6-133.500111.6A531 I577 G582 T583 Q589 Y614 V618A531-E585 HydrophobicContact CB-CB 4.19Å; I577-E585 VanDerWaalsContact CG2-OE2 3.26Å; I577-E585 WeakPolarHBondContact CG2-OE2 3.32Å; G582-E585 PolarHBondContact N-OE1 3.21Å; G582-E585 PolarHBondContact N-OE2 3.39Å; T583-E585 VanDerWaalsContact C-N 3.33Å; T583-E585 PolarHBondContact N-OE2 3.42Å; T583-E585 PolarHBondContact O-N 2.73Å; E585-Q589 VanDerWaalsContact O-CG 3.29Å; E585-Q589 WeakPolarHBondContact O-CG 3.22Å; E585-Q589 PolarHBondContact O-N 2.81Å; E585-Y614 HydrophobicContact CG-CE1 4.42Å; E585-Y614 PolarHBondContact OE1-OH 2.85Å; E585-V618 HydrophobicContact CG-CG2 4.01Å
586V98.6Very high98.3Very high10 Ų1032.7 Ų32.76%0.06115%0.153CC..Hα-helixtrans-72.1-47.7176.4173.50000110.6G582 T583 F584 D588 Q589 I590 V618 M621 V622G582-V586 WeakPolarHBondContact O-CG2 3.44Å; T583-V586 WeakPolarHBondContact O-CB 3.2Å; T583-V586 PolarHBondContact O-N 2.75Å; F584-V586 PolarHBondContact O-N 2.73Å; V586-D588 VanDerWaalsContact C-N 3.27Å; V586-D588 PolarHBondContact O-N 2.85Å; V586-Q589 PolarHBondContact O-N 3.38Å; V586-I590 HydrophobicContact CG1-CD1 3.99Å; V586-I590 WeakPolarHBondContact O-CD1 3.39Å; V586-I590 WeakPolarHBondContact O-CG1 3.42Å; V586-I590 PolarHBondContact O-N 2.87Å; V586-V618 HydrophobicContact CG2-CG1 4.33Å; V586-M621 HydrophobicContact CG1-CB 4.39Å; V586-M621 HydrophobicContact CG2-CB 3.56Å; V586-M621 HydrophobicContact CG2-CG 4.47Å; V586-V622 HydrophobicContact CB-CG2 4.38Å; V586-V622 HydrophobicContact CG1-CB 4.48Å; V586-V622 HydrophobicContact CG1-CG2 3.79Å
587E98.5Very high98.4Very high96 Ų9632.8 Ų32.845%0.44915%0.154SC..Hα-helixtrans-58-41.4176.4-70178.6-177.400112.2R564 T583 F584 I590 T591R564-E587 IonicContact NH2-OE2 3.09Å; R564-E587 PolarHBondContact NH2-OE2 3.23Å; T583-E587 PolarHBondContact O-N 3.4Å; F584-E587 WeakPolarHBondContact CD1-OE2 3.3Å; F584-E587 PolarHBondContact O-N 3.31Å; E587-I590 PolarHBondContact O-N 2.9Å; E587-T591 VanDerWaalsContact O-CB 3.31Å; E587-T591 WeakPolarHBondContact O-CB 3.42Å; E587-T591 PolarHBondContact O-N 3.47Å; E587-T591 PolarHBondContact O-OG1 3.02Å
588D98.7Very high98.4Very high0 Ų039.8 Ų39.80%018%0.184CC..Hα-helixtrans-67.9-41.3-177.1-79.2-0.6000111F561 R564 F584 V586 T591 A592F561-D588 HydrophobicContact CE1-CB 4.04Å; R564-D588 VanDerWaalsContact CB-OD2 3.27Å; R564-D588 WeakPolarHBondContact CB-OD2 3.49Å; R564-D588 WeakPolarHBondContact CG-OD2 3.2Å; R564-D588 IonicContact CZ-OD1 3.57Å; R564-D588 IonicContact CZ-OD2 3.52Å; R564-D588 PolarHBondContact N-OD2 3.11Å; R564-D588 IonicContact NE-OD1 3.61Å; R564-D588 PolarHBondContact NE-OD1 2.84Å; R564-D588 VanDerWaalsContact NE-OD1 3.15Å; R564-D588 IonicContact NE-OD2 2.72Å; R564-D588 PolarHBondContact NE-OD2 3.11Å; R564-D588 IonicContact NH2-OD1 2.72Å; R564-D588 PolarHBondContact NH2-OD1 3.29Å; R564-D588 IonicContact NH2-OD2 3.46Å; F584-D588 WeakPolarHBondContact O-CB 3.33Å; F584-D588 PolarHBondContact O-N 3.45Å; V586-D588 VanDerWaalsContact C-N 3.27Å; V586-D588 PolarHBondContact O-N 2.85Å; D588-T591 PolarHBondContact O-N 2.92Å; D588-A592 VanDerWaalsContact O-CB 3.26Å; D588-A592 WeakPolarHBondContact O-CB 3.28Å; D588-A592 PolarHBondContact O-N 3.12Å
589Q98.8Very high98.3Very high1 Ų141.6 Ų41.61%0.00519%0.194CC..Hα-helixtrans-64.1-43.3174.1-65.6-56.1-4400112.2V529 F561 E585 V586 T591 T593 V618 V622V529-Q589 HydrophobicContact CG2-CG 3.86Å; F561-Q589 PolarHBondContact O-NE2 3.47Å; E585-Q589 VanDerWaalsContact O-CG 3.29Å; E585-Q589 WeakPolarHBondContact O-CG 3.22Å; E585-Q589 PolarHBondContact O-N 2.81Å; V586-Q589 PolarHBondContact O-N 3.38Å; Q589-T591 VanDerWaalsContact C-N 3.34Å; Q589-T591 PolarHBondContact O-N 2.82Å; Q589-T593 WeakPolarHBondContact O-CB 3.43Å; Q589-T593 PolarHBondContact O-N 2.93Å; Q589-T593 PolarHBondContact O-OG1 2.87Å; Q589-V618 HydrophobicContact CG-CG1 4.18Å; Q589-V622 HydrophobicContact CB-CG2 4.17Å
590I98.8Very high98.3Very high15 Ų1539.2 Ų39.28%0.07719%0.193CC..Hα-helixtrans-62.5-44.4177.1-66.2161.3000110.2V586 E587 T593 K594 V622 S625 V629 F630V586-I590 HydrophobicContact CG1-CD1 3.99Å; V586-I590 WeakPolarHBondContact O-CD1 3.39Å; V586-I590 WeakPolarHBondContact O-CG1 3.42Å; V586-I590 PolarHBondContact O-N 2.87Å; E587-I590 PolarHBondContact O-N 2.9Å; I590-T593 PolarHBondContact O-N 2.98Å; I590-K594 HydrophobicContact CG2-CD 4.37Å; I590-K594 WeakPolarHBondContact O-CG 3.48Å; I590-K594 PolarHBondContact O-N 2.9Å; I590-V622 HydrophobicContact CG1-CG1 3.95Å; I590-V622 HydrophobicContact CG1-CG2 4.31Å; I590-S625 VanDerWaalsContact CD1-OG 3.28Å; I590-S625 WeakPolarHBondContact CD1-OG 3.29Å; I590-V629 HydrophobicContact CG2-CG2 4.09Å; I590-F630 HydrophobicContact CG1-CE2 4.19Å
591T98.8Very high98.4Very high51 Ų5133.7 Ų33.731%0.31317%0.173SC..Hα-helixtrans-66.4-47.7-179.4-59.50000111.2I502 E587 D588 Q589 T593 K594 E595I502-T591 HydrophobicContact CD1-CG2 3.91Å; I502-T591 HydrophobicContact CG1-CG2 4.37Å; E587-T591 VanDerWaalsContact O-CB 3.31Å; E587-T591 WeakPolarHBondContact O-CB 3.42Å; E587-T591 PolarHBondContact O-N 3.47Å; E587-T591 PolarHBondContact O-OG1 3.02Å; D588-T591 PolarHBondContact O-N 2.92Å; Q589-T591 VanDerWaalsContact C-N 3.34Å; Q589-T591 PolarHBondContact O-N 2.82Å; T591-T593 VanDerWaalsContact C-N 3.29Å; T591-T593 PolarHBondContact O-N 2.5Å; T591-K594 WeakPolarHBondContact O-CB 3.19Å; T591-K594 PolarHBondContact O-N 2.98Å; T591-E595 PolarHBondContact O-N 2.84Å
592A98.7Very high98.4Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-58.3-42.7176.700000111.6L500 F561 D588 K594 E595 F596L500-A592 HydrophobicContact CD1-CB 3.85Å; F561-A592 HydrophobicContact CB-CB 4.2Å; F561-A592 HydrophobicContact CD1-CB 3.52Å; F561-A592 HydrophobicContact CD2-CB 3.87Å; F561-A592 HydrophobicContact CE1-CB 3.72Å; F561-A592 HydrophobicContact CE2-CB 4.05Å; F561-A592 HydrophobicContact CG-CB 3.58Å; F561-A592 HydrophobicContact CZ-CB 3.97Å; D588-A592 VanDerWaalsContact O-CB 3.26Å; D588-A592 WeakPolarHBondContact O-CB 3.28Å; D588-A592 PolarHBondContact O-N 3.12Å; A592-K594 PolarHBondContact O-N 3.31Å; A592-E595 CarbonylContact O-C 3.59Å; A592-E595 WeakPolarHBondContact O-CB 3.46Å; A592-E595 PolarHBondContact O-N 2.7Å; A592-E595 VanDerWaalsContact O-N 3.11Å; A592-F596 HydrophobicContact CB-CE2 4.17Å; A592-F596 HydrophobicContact CB-CZ 4.1Å; A592-F596 WeakPolarHBondContact O-CD1 3.19Å; A592-F596 WeakPolarHBondContact O-CD2 3.34Å; A592-F596 WeakPolarHBondContact O-CG 3.37Å; A592-F596 PolarHBondContact O-N 3.38Å
593T98.8Very high98.4Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-62.4-42.2177.3-55.20000112L525 I527 Q589 I590 T591 E595 F596 I597 V607 V629 F630L525-T593 HydrophobicContact CD2-CG2 4Å; I527-T593 HydrophobicContact CD1-CG2 4.35Å; I527-T593 HydrophobicContact CG1-CG2 4.3Å; I527-T593 WeakPolarHBondContact CG1-OG1 3.4Å; Q589-T593 WeakPolarHBondContact O-CB 3.43Å; Q589-T593 PolarHBondContact O-N 2.93Å; Q589-T593 PolarHBondContact O-OG1 2.87Å; I590-T593 PolarHBondContact O-N 2.98Å; T591-T593 VanDerWaalsContact C-N 3.29Å; T591-T593 PolarHBondContact O-N 2.5Å; T593-E595 VanDerWaalsContact C-N 3.31Å; T593-E595 PolarHBondContact O-N 3.21Å; T593-F596 PolarHBondContact O-N 3.12Å; T593-I597 HydrophobicContact CG2-CD1 4.41Å; T593-I597 WeakPolarHBondContact O-CG1 3.42Å; T593-I597 PolarHBondContact O-N 3.47Å; T593-V607 HydrophobicContact CG2-CG1 3.62Å; T593-V629 HydrophobicContact CG2-CG1 3.45Å; T593-V629 VanDerWaalsContact CG2-CG1 3.45Å; T593-F630 HydrophobicContact CG2-CE1 3.95Å; T593-F630 HydrophobicContact CG2-CZ 3.85Å; T593-F630 WeakPolarHBondContact OG1-CZ 3.31Å
594K98.8Very high98.5Very high94 Ų9439.5 Ų39.541%0.40920%0.195SC..Hα-helixtrans-60.2-39.7172.8-73.5171.9178.41760112.1I590 T591 A592 I597 K598 V629I590-K594 HydrophobicContact CG2-CD 4.37Å; I590-K594 WeakPolarHBondContact O-CG 3.48Å; I590-K594 PolarHBondContact O-N 2.9Å; T591-K594 WeakPolarHBondContact O-CB 3.19Å; T591-K594 PolarHBondContact O-N 2.98Å; A592-K594 PolarHBondContact O-N 3.31Å; K594-I597 PolarHBondContact O-N 3.09Å; K594-K598 WeakPolarHBondContact O-CG 3.43Å; K594-K598 PolarHBondContact O-N 3.24Å; K594-V629 HydrophobicContact CD-CG2 4.19Å; K594-V629 HydrophobicContact CG-CG2 3.8Å
595E98.6Very high98.5Very high67 Ų6742.8 Ų42.831%0.31321%0.214SC..Hα-helixtrans-68-38.7175.2-65-51.3127.900112.2L500 T591 A592 T593 I597 K598 M599L500-E595 HydrophobicContact CD1-CB 3.88Å; L500-E595 HydrophobicContact CD1-CG 4.39Å; L500-E595 HydrophobicContact CD2-CB 4.04Å; T591-E595 PolarHBondContact O-N 2.84Å; A592-E595 CarbonylContact O-C 3.59Å; A592-E595 WeakPolarHBondContact O-CB 3.46Å; A592-E595 PolarHBondContact O-N 2.7Å; A592-E595 VanDerWaalsContact O-N 3.11Å; T593-E595 VanDerWaalsContact C-N 3.31Å; T593-E595 PolarHBondContact O-N 3.21Å; E595-I597 VanDerWaalsContact C-N 3.31Å; E595-I597 PolarHBondContact O-N 3.32Å; E595-K598 WeakPolarHBondContact O-CB 3.31Å; E595-K598 PolarHBondContact O-N 3.29Å; E595-K598 VanDerWaalsContact O-N 3.15Å; E595-K598 IonicContact OE1-NZ 2.7Å; E595-K598 PolarHBondContact OE1-NZ 2.77Å; E595-K598 IonicContact OE2-NZ 2.69Å; E595-M599 WeakPolarHBondContact O-CG 3.25Å; E595-M599 PolarHBondContact O-N 2.95Å
596F98.7Very high98.5Very high1 Ų146 Ų460%0.00423%0.226CC..Hα-helixtrans-61.2-40.3173.5-58-26.4000111.8L500 Y509 M511 L525 I527 A559 F561 A592 T593 K598 M599 I602L500-F596 HydrophobicContact CD1-CD1 4.2Å; L500-F596 HydrophobicContact CD1-CE1 3.62Å; L500-F596 HydrophobicContact CD1-CZ 4.19Å; L500-F596 HydrophobicContact CG-CE1 4.35Å; Y509-F596 HydrophobicContact CD1-CE1 4.03Å; Y509-F596 AromaticContact CD2-CE1 3.95Å; Y509-F596 HydrophobicContact CD2-CE1 3.95Å; Y509-F596 HydrophobicContact CD2-CZ 4.31Å; Y509-F596 HydrophobicContact CE2-CE1 4.46Å; Y509-F596 AromaticContact CG-CE1 3.71Å; Y509-F596 HydrophobicContact CG-CE1 3.71Å; Y509-F596 AromaticContact CG-CZ 3.98Å; Y509-F596 HydrophobicContact CG-CZ 3.98Å; M511-F596 HydrophobicContact CE-CB 3.85Å; M511-F596 HydrophobicContact CE-CD1 3.09Å; M511-F596 HydrophobicContact CE-CD2 3.83Å; M511-F596 HydrophobicContact CE-CE1 3.44Å; M511-F596 VanDerWaalsContact CE-CE1 3.44Å; M511-F596 HydrophobicContact CE-CE2 4.14Å; M511-F596 HydrophobicContact CE-CG 3.31Å; M511-F596 HydrophobicContact CE-CZ 3.97Å; L525-F596 HydrophobicContact CD2-CB 4.18Å; L525-F596 HydrophobicContact CD2-CD2 4.31Å; I527-F596 HydrophobicContact CD1-CD2 3.97Å; I527-F596 HydrophobicContact CD1-CE2 4.06Å; A559-F596 HydrophobicContact CB-CD2 4.2Å; A559-F596 HydrophobicContact CB-CE2 3.89Å; F561-F596 HydrophobicContact CB-CZ 4.44Å; F561-F596 HydrophobicContact CD2-CZ 4.45Å; A592-F596 HydrophobicContact CB-CE2 4.17Å; A592-F596 HydrophobicContact CB-CZ 4.1Å; A592-F596 WeakPolarHBondContact O-CD1 3.19Å; A592-F596 WeakPolarHBondContact O-CD2 3.34Å; A592-F596 WeakPolarHBondContact O-CG 3.37Å; A592-F596 PolarHBondContact O-N 3.38Å; T593-F596 PolarHBondContact O-N 3.12Å; F596-K598 VanDerWaalsContact C-N 3.3Å; F596-K598 PolarHBondContact O-N 3.23Å; F596-M599 HydrophobicContact CD1-CE 3.64Å; F596-M599 HydrophobicContact CD1-SD 4.22Å; F596-M599 HydrophobicContact CE1-CE 4.17Å; F596-M599 VanDerWaalsContact O-CB 3.29Å; F596-M599 WeakPolarHBondContact O-CB 3.27Å; F596-M599 PolarHBondContact O-N 2.88Å; F596-M599 VanDerWaalsContact O-N 3.13Å; F596-I602 WeakPolarHBondContact O-CG1 3.22Å
597I98.7Very high98.5Very high40 Ų4045.6 Ų45.621%0.20522%0.223CC..Hα-helixtrans-59.9-41.1174.2-67165.3000111.5T593 K594 E595 M599 G600 I602 K604 V607 V629T593-I597 HydrophobicContact CG2-CD1 4.41Å; T593-I597 WeakPolarHBondContact O-CG1 3.42Å; T593-I597 PolarHBondContact O-N 3.47Å; K594-I597 PolarHBondContact O-N 3.09Å; E595-I597 VanDerWaalsContact C-N 3.31Å; E595-I597 PolarHBondContact O-N 3.32Å; I597-M599 PolarHBondContact O-N 2.79Å; I597-G600 PolarHBondContact O-N 3.25Å; I597-I602 HydrophobicContact CG1-CG2 3.98Å; I597-K604 HydrophobicContact CD1-CB 4.46Å; I597-K604 HydrophobicContact CG2-CB 3.89Å; I597-V607 HydrophobicContact CD1-CG2 4.22Å; I597-V607 HydrophobicContact CG1-CG2 4.47Å; I597-V629 HydrophobicContact CD1-CG1 4.16Å
598K98.3Very high98.6Very high147 Ų14741 Ų4164%0.63920%0.202SC*.Hα-helixtrans-66.8-17.3178-68.6170.8-172.3172.50113.8K594 E595 F596 G600K594-K598 WeakPolarHBondContact O-CG 3.43Å; K594-K598 PolarHBondContact O-N 3.24Å; E595-K598 WeakPolarHBondContact O-CB 3.31Å; E595-K598 PolarHBondContact O-N 3.29Å; E595-K598 VanDerWaalsContact O-N 3.15Å; E595-K598 IonicContact OE1-NZ 2.7Å; E595-K598 PolarHBondContact OE1-NZ 2.77Å; E595-K598 IonicContact OE2-NZ 2.69Å; F596-K598 VanDerWaalsContact C-N 3.3Å; F596-K598 PolarHBondContact O-N 3.23Å; K598-G600 PolarHBondContact O-N 2.8Å; K598-G600 VanDerWaalsContact O-N 3.17Å
599M97.8Very high98.6Very high61 Ų6141 Ų4130%0.320%0.202SC..THydrogen-bonded Turntrans-65.4-14.1175.5-60.3-179.417600113.1L500 Y509 M511 E595 F596 I597 F601L500-M599 HydrophobicContact CD2-CE 4.23Å; Y509-M599 HydrophobicContact CE1-CE 4.19Å; Y509-M599 HydrophobicContact CE2-CE 4.38Å; M511-M599 HydrophobicContact CE-CE 4.29Å; M511-M599 HydrophobicContact CE-SD 3.92Å; M511-M599 HydrophobicContact SD-SD 4.48Å; E595-M599 WeakPolarHBondContact O-CG 3.25Å; E595-M599 PolarHBondContact O-N 2.95Å; F596-M599 HydrophobicContact CD1-CE 3.64Å; F596-M599 HydrophobicContact CD1-SD 4.22Å; F596-M599 HydrophobicContact CE1-CE 4.17Å; F596-M599 VanDerWaalsContact O-CB 3.29Å; F596-M599 WeakPolarHBondContact O-CB 3.27Å; F596-M599 PolarHBondContact O-N 2.88Å; F596-M599 VanDerWaalsContact O-N 3.13Å; I597-M599 PolarHBondContact O-N 2.79Å; M599-F601 HydrophobicContact CB-CD1 4.08Å; M599-F601 HydrophobicContact CB-CE1 3.45Å; M599-F601 VanDerWaalsContact CB-CE1 3.45Å; M599-F601 HydrophobicContact CB-CE2 4.48Å; M599-F601 HydrophobicContact CB-CZ 3.68Å; M599-F601 HydrophobicContact CG-CE1 4.39Å; M599-F601 HydrophobicContact CG-CZ 4.32Å; M599-F601 HydrophobicContact SD-CE1 4.23Å; M599-F601 HydrophobicContact SD-CZ 3.69Å
600G98.1Very high98.6Very high34 Ų3441.7 Ų41.735%0.35120%0.204SC..SBendtrans93.1-9.9166.600000115.6K522 I597 K598K522-G600 WeakPolarHBondContact CD-O 3.42Å; K522-G600 WeakPolarHBondContact CE-O 3.48Å; K522-G600 PolarHBondContact NZ-O 3.22Å; I597-G600 PolarHBondContact O-N 3.25Å; K598-G600 PolarHBondContact O-N 2.8Å; K598-G600 VanDerWaalsContact O-N 3.17Å
601F98.4Very high98.6Very high5 Ų541 Ų412%0.02220%0.201CC..SBendtrans-108.61.8176.652.9-101.5000114.1M511 F517 E519 K521 K522 Y523 I557 M599M511-F601 HydrophobicContact SD-CE2 4.31Å; M511-F601 HydrophobicContact SD-CZ 4.35Å; F517-F601 HydrophobicContact CE2-CB 4.23Å; F517-F601 AromaticContact CE2-CD2 3.93Å; F517-F601 HydrophobicContact CE2-CD2 3.93Å; F517-F601 HydrophobicContact CE2-CG 4.05Å; F517-F601 HydrophobicContact CZ-CB 4.11Å; F517-F601 AromaticContact CZ-CD1 3.9Å; F517-F601 HydrophobicContact CZ-CD1 3.9Å; F517-F601 AromaticContact CZ-CD2 3.8Å; F517-F601 HydrophobicContact CZ-CD2 3.8Å; F517-F601 HydrophobicContact CZ-CE1 4.24Å; F517-F601 HydrophobicContact CZ-CE2 4.17Å; F517-F601 AromaticContact CZ-CG 3.65Å; F517-F601 HydrophobicContact CZ-CG 3.65Å; F517-F601 HydrophobicContact CZ-CZ 4.38Å; E519-F601 HydrophobicContact CG-CD1 4.38Å; K521-F601 VanDerWaalsContact O-CA 3.26Å; K521-F601 WeakPolarHBondContact O-CA 3.41Å; K521-F601 WeakPolarHBondContact O-CB 3.32Å; K522-F601 CarbonylContact C-O 3.54Å; K522-F601 WeakPolarHBondContact CA-O 3.42Å; Y523-F601 HydrophobicContact CD2-CB 4.48Å; Y523-F601 WeakPolarHBondContact CD2-O 3.23Å; Y523-F601 PolarHBondContact N-O 2.93Å; I557-F601 HydrophobicContact CD1-CD2 3.67Å; I557-F601 HydrophobicContact CD1-CE2 3.9Å; M599-F601 HydrophobicContact CB-CD1 4.08Å; M599-F601 HydrophobicContact CB-CE1 3.45Å; M599-F601 VanDerWaalsContact CB-CE1 3.45Å; M599-F601 HydrophobicContact CB-CE2 4.48Å; M599-F601 HydrophobicContact CB-CZ 3.68Å; M599-F601 HydrophobicContact CG-CE1 4.39Å; M599-F601 HydrophobicContact CG-CZ 4.32Å; M599-F601 HydrophobicContact SD-CE1 4.23Å; M599-F601 HydrophobicContact SD-CZ 3.69Å
602I98.8Very high98.6Very high1 Ų140.6 Ų40.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-95.4136.9175-56.7-61.3000110.1K522 L525 I557 F596 I597 V607K522-I602 PolarHBondContact NZ-O 2.94Å; L525-I602 HydrophobicContact CB-CD1 4.18Å; L525-I602 HydrophobicContact CB-CG2 3.73Å; L525-I602 HydrophobicContact CD1-CD1 4.17Å; L525-I602 HydrophobicContact CD2-CD1 4.49Å; L525-I602 HydrophobicContact CD2-CG2 3.99Å; L525-I602 HydrophobicContact CG-CG2 4.47Å; I557-I602 HydrophobicContact CB-CD1 4.23Å; I557-I602 HydrophobicContact CD1-CD1 3.7Å; I557-I602 HydrophobicContact CG2-CD1 4.25Å; F596-I602 WeakPolarHBondContact O-CG1 3.22Å; I597-I602 HydrophobicContact CG1-CG2 3.98Å; I602-V607 HydrophobicContact CG2-CG2 4.32Å
603D98.6Very high98.6Very high34 Ų3441.1 Ų41.118%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-80.5111.1168.9-167.6-21.4000110K522 Y523 D605 R606 V607K522-D603 HydrophobicContact CB-CB 4.12Å; Y523-D603 PolarHBondContact O-N 2.84Å; D603-D605 PolarHBondContact O-N 3Å; D603-D605 PolarHBondContact OD1-N 2.91Å; D603-D605 VanDerWaalsContact OD1-N 3.09Å; D603-R606 HydrophobicContact CB-CB 4.33Å; D603-R606 PolarHBondContact O-N 3.28Å; D603-R606 IonicContact OD2-CZ 2.77Å; D603-R606 IonicContact OD2-NE 3.21Å; D603-R606 PolarHBondContact OD2-NE 3.04Å; D603-R606 IonicContact OD2-NH2 3.65Å; D603-R606 PolarHBondContact OD2-NH2 3.39Å; D603-V607 WeakPolarHBondContact O-CG2 2.9Å
604K98.1Very high98.6Very high137 Ų13741.2 Ų41.260%0.59620%0.198SC*.EExtended strand (participates in β ladder)trans-66.3-20.6-176.166.4170.8-170169.50113.3I597I597-K604 HydrophobicContact CD1-CB 4.46Å; I597-K604 HydrophobicContact CG2-CB 3.89Å
605D98.1Very high98.6Very high103 Ų10336.8 Ų36.855%0.55118%0.178SC*.EExtended strand (participates in β ladder)trans-93.6-3.6-176.7-57.7-44.4000111.3D603 K631D603-D605 PolarHBondContact O-N 3Å; D603-D605 PolarHBondContact OD1-N 2.91Å; D603-D605 VanDerWaalsContact OD1-N 3.09Å; D605-K631 WeakPolarHBondContact O-CD 3.44Å
606R98.6Very high98.6Very high70 Ų7033.6 Ų33.626%0.26416%0.164SC..EExtended strand (participates in β ladder)trans-129.164.8178.5-64.5-175.6-66.3152.22.8111K522 P524 L525 D603 F743K522-R606 PolarHBondContact O-NH2 2.83Å; P524-R606 VanDerWaalsContact CA-O 3.31Å; P524-R606 WeakPolarHBondContact CA-O 3.14Å; P524-R606 HydrophobicContact CB-CB 3.8Å; L525-R606 PolarHBondContact N-O 3.32Å; D603-R606 HydrophobicContact CB-CB 4.33Å; D603-R606 PolarHBondContact O-N 3.28Å; D603-R606 IonicContact OD2-CZ 2.77Å; D603-R606 IonicContact OD2-NE 3.21Å; D603-R606 PolarHBondContact OD2-NE 3.04Å; D603-R606 IonicContact OD2-NH2 3.65Å; D603-R606 PolarHBondContact OD2-NH2 3.39Å; R606-F743 HydrophobicContact CB-CD1 3.63Å; R606-F743 HydrophobicContact CB-CE1 4.03Å; R606-F743 HydrophobicContact CB-CG 4.15Å; R606-F743 WeakPolarHBondContact CD-O 3.42Å; R606-F743 HydrophobicContact CG-CB 4.35Å; R606-F743 HydrophobicContact CG-CD1 4.18Å; R606-F743 WeakPolarHBondContact O-CE1 3.08Å
607V98.9Very high98.6Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-119.4124.8178.9-175.70000109.8L525 T593 I597 I602 D603 V629 F630 K631L525-V607 HydrophobicContact CB-CG1 4.41Å; L525-V607 HydrophobicContact CB-CG2 4.37Å; L525-V607 HydrophobicContact CD2-CG1 4.17Å; L525-V607 HydrophobicContact CG-CG1 4.45Å; L525-V607 CarbonylContact O-C 3.59Å; L525-V607 WeakPolarHBondContact O-CA 3.48Å; T593-V607 HydrophobicContact CG2-CG1 3.62Å; I597-V607 HydrophobicContact CD1-CG2 4.22Å; I597-V607 HydrophobicContact CG1-CG2 4.47Å; I602-V607 HydrophobicContact CG2-CG2 4.32Å; D603-V607 WeakPolarHBondContact O-CG2 2.9Å; V607-V629 WeakPolarHBondContact CB-O 3.15Å; V607-F630 HydrophobicContact CG1-CD1 3.77Å; V607-F630 HydrophobicContact CG1-CE1 3.91Å; V607-F630 WeakPolarHBondContact O-CA 3.12Å; V607-K631 PolarHBondContact O-N 3.45Å
608A98.9Very high98.6Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-125.3161178.500000111.4L525 L526 I527 C632 L739 F743L525-A608 PolarHBondContact O-N 3.48Å; L526-A608 WeakPolarHBondContact CA-O 3.3Å; L526-A608 HydrophobicContact CD1-CB 3.81Å; I527-A608 PolarHBondContact N-O 2.9Å; A608-C632 VanDerWaalsContact CA-O 3.26Å; A608-C632 WeakPolarHBondContact CA-O 3.25Å; A608-C632 VanDerWaalsContact CB-SG 3.56Å; A608-L739 HydrophobicContact CB-CD1 3.48Å; A608-L739 VanDerWaalsContact CB-CD1 3.48Å; A608-F743 HydrophobicContact CB-CE1 3.77Å; A608-F743 HydrophobicContact CB-CZ 3.64Å
609I98.9Very high98.6Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-130.9145172.8-175.2162.7000110.3I527 V529 V622 L623 F630 C632 G633 M634I527-I609 HydrophobicContact CB-CB 4.2Å; I527-I609 HydrophobicContact CB-CD1 4.35Å; I527-I609 HydrophobicContact CB-CG1 3.98Å; I527-I609 HydrophobicContact CG2-CD1 4.11Å; I527-I609 HydrophobicContact CG2-CG1 4.11Å; I527-I609 WeakPolarHBondContact O-CA 3.33Å; V529-I609 HydrophobicContact CB-CD1 4.34Å; V529-I609 HydrophobicContact CB-CG1 4.48Å; V529-I609 HydrophobicContact CG1-CD1 3.78Å; V529-I609 HydrophobicContact CG1-CG1 3.73Å; I609-V622 HydrophobicContact CD1-CB 4.04Å; I609-V622 HydrophobicContact CD1-CG1 3.94Å; I609-V622 HydrophobicContact CD1-CG2 4.01Å; I609-V622 HydrophobicContact CG2-CG1 4.45Å; I609-L623 HydrophobicContact CG2-CD2 3.98Å; I609-L623 HydrophobicContact CG2-CG 4.1Å; I609-F630 HydrophobicContact CB-CD1 3.8Å; I609-F630 HydrophobicContact CB-CE1 3.72Å; I609-F630 HydrophobicContact CB-CZ 4.49Å; I609-F630 HydrophobicContact CD1-CE1 4.35Å; I609-F630 HydrophobicContact CD1-CZ 4.34Å; I609-F630 HydrophobicContact CG2-CD1 3.87Å; I609-F630 HydrophobicContact CG2-CE1 4.2Å; I609-F630 HydrophobicContact CG2-CG 4.24Å; I609-C632 PolarHBondContact N-O 3.3Å; I609-G633 CarbonylContact O-C 3.19Å; I609-G633 WeakPolarHBondContact O-CA 3.49Å; I609-M634 PolarHBondContact O-N 3.34Å
610W98.9Very high98.7Very high15 Ų1521.7 Ų21.76%0.05711%0.109CC..EExtended strand (participates in β ladder)trans-144.8153.2171.185.6-71.1000112.4L526 I527 D528 V529 W546 M634 Y732 M735L526-W610 HydrophobicContact CD1-CB 4.26Å; L526-W610 HydrophobicContact CD1-CG 4.29Å; L526-W610 HydrophobicContact CD2-CG 4.44Å; I527-W610 VanDerWaalsContact O-CD1 3.31Å; I527-W610 PolarHBondContact O-N 2.98Å; D528-W610 VanDerWaalsContact CB-NE1 3.31Å; D528-W610 WeakPolarHBondContact OD1-CZ2 3.44Å; V529-W610 VanDerWaalsContact CG1-O 3.24Å; V529-W610 WeakPolarHBondContact CG1-O 3.34Å; V529-W610 PolarHBondContact N-O 3.28Å; W546-W610 HydrophobicContact CE3-CD2 4.41Å; W546-W610 AromaticContact CE3-CE2 3.8Å; W546-W610 HydrophobicContact CE3-CH2 4.21Å; W546-W610 AromaticContact CE3-CZ2 3.69Å; W546-W610 HydrophobicContact CE3-CZ2 3.69Å; W546-W610 AromaticContact CZ3-CD1 3.9Å; W546-W610 AromaticContact CZ3-CD2 3.68Å; W546-W610 HydrophobicContact CZ3-CD2 3.68Å; W546-W610 AromaticContact CZ3-CE2 3.41Å; W546-W610 VanDerWaalsContact CZ3-CE2 3.41Å; W546-W610 HydrophobicContact CZ3-CE3 4.32Å; W546-W610 AromaticContact CZ3-CG 3.95Å; W546-W610 HydrophobicContact CZ3-CG 3.95Å; W546-W610 HydrophobicContact CZ3-CH2 4.37Å; W546-W610 AromaticContact CZ3-CZ2 3.8Å; W546-W610 HydrophobicContact CZ3-CZ2 3.8Å; W546-W610 AromaticContact CZ3-NE1 3.55Å; W610-M634 VanDerWaalsContact CA-O 3.29Å; W610-M634 WeakPolarHBondContact CA-O 3.44Å; W610-M634 HydrophobicContact CB-CB 4.02Å; W610-M634 HydrophobicContact CB-CE 3.89Å; W610-Y732 HydrophobicContact CH2-CE1 4.14Å; W610-M735 HydrophobicContact CB-CE 4.29Å; W610-M735 HydrophobicContact CD2-CE 3.72Å; W610-M735 HydrophobicContact CE3-CE 3.18Å; W610-M735 HydrophobicContact CG-CE 4.2Å; W610-M735 HydrophobicContact CZ3-CE 3.69Å
611G98.8Very high98.7Very high1 Ų120.1 Ų20.11%0.019%0.092CC..EExtended strand (participates in β ladder)trans-164.2167.3169.500000112.6V529 G615 G616 M634 V636V529-G611 WeakPolarHBondContact O-CA 3.4Å; G611-G615 VanDerWaalsContact C-C 3.49Å; G611-G615 VanDerWaalsContact CA-C 3.48Å; G611-G616 VanDerWaalsContact C-N 3.26Å; G611-G616 WeakPolarHBondContact O-CA 3.47Å; G611-G616 PolarHBondContact O-N 3.22Å; G611-M634 PolarHBondContact N-O 2.66Å; G611-V636 PolarHBondContact O-N 2.86Å
612W98.8Very high98.7Very high42 Ų4219.9 Ų19.916%0.1599%0.091CC..EExtended strand (participates in β ladder)trans-118.3143.8179.2-160.2-53.2000109.8Y614 G615 G616 V636 H721 L723 V731W612-Y614 PolarHBondContact O-N 3.25Å; W612-G615 WeakPolarHBondContact O-CA 3.43Å; W612-G615 PolarHBondContact O-N 3.28Å; W612-G616 PolarHBondContact O-N 3.38Å; W612-V636 CarbonylContact C-O 3.34Å; W612-V636 WeakPolarHBondContact CA-O 3.31Å; W612-V636 HydrophobicContact CB-CB 4.26Å; W612-V636 HydrophobicContact CD2-CB 3.7Å; W612-V636 HydrophobicContact CD2-CG1 3.44Å; W612-V636 VanDerWaalsContact CD2-CG1 3.44Å; W612-V636 VanDerWaalsContact CE2-CG1 3.44Å; W612-V636 HydrophobicContact CE3-CB 3.95Å; W612-V636 HydrophobicContact CE3-CG1 3.73Å; W612-V636 HydrophobicContact CE3-CG2 4.27Å; W612-V636 HydrophobicContact CG-CB 3.84Å; W612-V636 HydrophobicContact CG-CG1 3.98Å; W612-V636 HydrophobicContact CH2-CG1 4.06Å; W612-V636 HydrophobicContact CZ2-CG1 3.77Å; W612-V636 HydrophobicContact CZ3-CG1 4.03Å; W612-H721 AromaticContact CD1-NE2 3.9Å; W612-H721 VanDerWaalsContact CZ2-O 3.23Å; W612-H721 WeakPolarHBondContact CZ2-O 3.35Å; W612-H721 AromaticContact NE1-NE2 3.98Å; W612-H721 PolarHBondContact NE1-O 2.95Å; W612-L723 HydrophobicContact CH2-CB 3.99Å; W612-L723 HydrophobicContact CH2-CD1 3.76Å; W612-L723 HydrophobicContact CH2-CG 3.98Å; W612-L723 HydrophobicContact CZ2-CB 4.07Å; W612-L723 HydrophobicContact CZ2-CD1 3.75Å; W612-L723 HydrophobicContact CZ2-CG 3.7Å; W612-V731 HydrophobicContact CH2-CG1 4.35Å; W612-V731 HydrophobicContact CZ3-CG1 4.34Å
613S98.4Very high98.7Very high11 Ų1120 Ų208%0.0779%0.092CC..THydrogen-bonded Turntrans62.7-124.1177.2-168.80000110.7G615 G616 Y617 V636 A637 H721S613-G615 PolarHBondContact O-N 2.95Å; S613-G616 WeakPolarHBondContact O-CA 3.47Å; S613-G616 PolarHBondContact O-N 3.1Å; S613-Y617 PolarHBondContact O-N 3.17Å; S613-V636 PolarHBondContact N-O 2.88Å; S613-A637 WeakPolarHBondContact CA-O 3.45Å; S613-A637 PolarHBondContact N-O 2.95Å; S613-H721 VanDerWaalsContact CB-NE2 3.26Å; S613-H721 WeakPolarHBondContact CB-NE2 3.5Å; S613-H721 PolarHBondContact OG-NE2 2.92Å
614Y98.8Very high98.7Very high3 Ų318.4 Ų18.41%0.0128%0.083CC..Hα-helixtrans-53.3-36.7168.1-159.1-74.9000112.7Y530 A531 G532 P533 L581 E585 W612 G616 Y617 V618 W642 Y649Y530-Y614 WeakPolarHBondContact O-CD1 3.43Å; A531-Y614 WeakPolarHBondContact O-CE1 3.43Å; G532-Y614 VanDerWaalsContact CA-CG 3.47Å; G532-Y614 VanDerWaalsContact N-CD1 3.35Å; P533-Y614 HydrophobicContact CG-CE2 4.23Å; L581-Y614 HydrophobicContact CD1-CE2 4.17Å; L581-Y614 WeakPolarHBondContact CD2-OH 3.48Å; E585-Y614 HydrophobicContact CG-CE1 4.42Å; E585-Y614 PolarHBondContact OE1-OH 2.85Å; W612-Y614 PolarHBondContact O-N 3.25Å; Y614-G616 VanDerWaalsContact C-N 3.26Å; Y614-G616 PolarHBondContact O-N 2.93Å; Y614-Y617 HydrophobicContact CD1-CD1 4.31Å; Y614-Y617 AromaticContact CE1-CD1 3.97Å; Y614-Y617 HydrophobicContact CE1-CD1 3.97Å; Y614-Y617 HydrophobicContact CE1-CE1 4.41Å; Y614-Y617 HydrophobicContact CE2-CD1 4.42Å; Y614-Y617 WeakPolarHBondContact O-CA 3.1Å; Y614-Y617 VanDerWaalsContact O-CB 3.3Å; Y614-Y617 WeakPolarHBondContact O-CB 3.37Å; Y614-Y617 PolarHBondContact O-N 2.89Å; Y614-Y617 VanDerWaalsContact O-N 3.15Å; Y614-V618 HydrophobicContact CD1-CG2 3.58Å; Y614-V618 HydrophobicContact CE1-CG2 3.39Å; Y614-V618 WeakPolarHBondContact O-CG2 3.46Å; Y614-V618 PolarHBondContact O-N 2.88Å; Y614-W642 AromaticContact CD2-CH2 3.4Å; Y614-W642 HydrophobicContact CD2-CH2 3.4Å; Y614-W642 AromaticContact CD2-CZ2 3.98Å; Y614-W642 HydrophobicContact CD2-CZ2 3.98Å; Y614-W642 HydrophobicContact CD2-CZ3 4.44Å; Y614-W642 AromaticContact CE2-CH2 3.19Å; Y614-W642 HydrophobicContact CE2-CH2 3.19Å; Y614-W642 AromaticContact CE2-CZ2 3.37Å; Y614-W642 HydrophobicContact CE2-CZ2 3.37Å; Y614-W642 HydrophobicContact CE2-CZ3 4.32Å; Y614-W642 AromaticContact CZ-CZ2 3.94Å; Y614-Y649 HydrophobicContact CD2-CE1 4.35Å; Y614-Y649 WeakPolarHBondContact CD2-OH 3.49Å; Y614-Y649 HydrophobicContact CE2-CE1 4.39Å; Y614-Y649 WeakPolarHBondContact CE2-OH 3.41Å
615G98.8Very high98.6Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-62-35.217300000112.7Y530 G611 W612 S613 V618 S619Y530-G615 VanDerWaalsContact O-CA 3.29Å; Y530-G615 WeakPolarHBondContact O-CA 3.23Å; Y530-G615 PolarHBondContact O-N 2.87Å; G611-G615 VanDerWaalsContact C-C 3.49Å; G611-G615 VanDerWaalsContact CA-C 3.48Å; W612-G615 WeakPolarHBondContact O-CA 3.43Å; W612-G615 PolarHBondContact O-N 3.28Å; S613-G615 PolarHBondContact O-N 2.95Å; G615-V618 PolarHBondContact O-N 3.29Å; G615-S619 WeakPolarHBondContact O-CB 3.45Å; G615-S619 PolarHBondContact O-N 2.99Å
616G98.8Very high98.4Very high0 Ų013.1 Ų13.10%07%0.065CC..Hα-helixtrans-67.5-39.6173.200000111.7G611 W612 S613 Y614 S620 P638G611-G616 VanDerWaalsContact C-N 3.26Å; G611-G616 WeakPolarHBondContact O-CA 3.47Å; G611-G616 PolarHBondContact O-N 3.22Å; W612-G616 PolarHBondContact O-N 3.38Å; S613-G616 WeakPolarHBondContact O-CA 3.47Å; S613-G616 PolarHBondContact O-N 3.1Å; Y614-G616 VanDerWaalsContact C-N 3.26Å; Y614-G616 PolarHBondContact O-N 2.93Å; G616-S620 WeakPolarHBondContact O-CB 3.29Å; G616-S620 PolarHBondContact O-N 3.05Å; G616-S620 PolarHBondContact O-OG 3.05Å; G616-P638 VanDerWaalsContact C-CB 3.47Å
617Y98.9Very high98.4Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-58.6-52170.6167.7-108.8000111.3L581 G582 S613 Y614 S619 S620 M621 V639 W642 S667 V669L581-Y617 PolarHBondContact O-OH 2.86Å; G582-Y617 VanDerWaalsContact CA-OH 3.23Å; G582-Y617 WeakPolarHBondContact CA-OH 3.41Å; G582-Y617 PolarHBondContact N-OH 3.35Å; S613-Y617 PolarHBondContact O-N 3.17Å; Y614-Y617 HydrophobicContact CD1-CD1 4.31Å; Y614-Y617 AromaticContact CE1-CD1 3.97Å; Y614-Y617 HydrophobicContact CE1-CD1 3.97Å; Y614-Y617 HydrophobicContact CE1-CE1 4.41Å; Y614-Y617 HydrophobicContact CE2-CD1 4.42Å; Y614-Y617 WeakPolarHBondContact O-CA 3.1Å; Y614-Y617 VanDerWaalsContact O-CB 3.3Å; Y614-Y617 WeakPolarHBondContact O-CB 3.37Å; Y614-Y617 PolarHBondContact O-N 2.89Å; Y614-Y617 VanDerWaalsContact O-N 3.15Å; Y617-S619 PolarHBondContact O-N 2.98Å; Y617-S620 PolarHBondContact O-N 2.78Å; Y617-M621 HydrophobicContact CD1-CG 4.43Å; Y617-M621 HydrophobicContact CD2-CG 3.79Å; Y617-M621 HydrophobicContact CE1-CG 4.13Å; Y617-M621 HydrophobicContact CE2-CE 4.3Å; Y617-M621 HydrophobicContact CE2-CG 3.45Å; Y617-M621 VanDerWaalsContact CE2-CG 3.45Å; Y617-M621 HydrophobicContact CE2-SD 3.78Å; Y617-M621 HydrophobicContact CG-CG 4.29Å; Y617-M621 WeakPolarHBondContact O-CB 3.31Å; Y617-M621 WeakPolarHBondContact O-CG 3.5Å; Y617-M621 PolarHBondContact O-N 2.56Å; Y617-V639 WeakPolarHBondContact CB-O 3.34Å; Y617-V639 VanDerWaalsContact CD2-O 3.31Å; Y617-V639 WeakPolarHBondContact CD2-O 3.45Å; Y617-W642 HydrophobicContact CD1-CH2 4.45Å; Y617-W642 AromaticContact CD1-CZ2 3.64Å; Y617-W642 HydrophobicContact CD1-CZ2 3.64Å; Y617-W642 HydrophobicContact CD2-CZ2 4.45Å; Y617-W642 AromaticContact CE1-CE2 4Å; Y617-W642 AromaticContact CE1-CZ2 3.53Å; Y617-W642 HydrophobicContact CE1-CZ2 3.53Å; Y617-W642 AromaticContact CE1-NE1 3.83Å; Y617-W642 HydrophobicContact CE2-CZ2 4.36Å; Y617-W642 AromaticContact CE2-NE1 3.83Å; Y617-W642 HydrophobicContact CG-CZ2 4.1Å; Y617-W642 AromaticContact CZ-CE2 3.9Å; Y617-W642 AromaticContact CZ-CZ2 3.9Å; Y617-W642 AromaticContact CZ-NE1 3.33Å; Y617-W642 VanDerWaalsContact CZ-NE1 3.33Å; Y617-W642 PolarHBondContact OH-NE1 3.49Å; Y617-W642 VanDerWaalsContact OH-NE1 3.13Å; Y617-S667 VanDerWaalsContact CE2-O 3.25Å; Y617-S667 WeakPolarHBondContact CE2-O 3.41Å; Y617-S667 WeakPolarHBondContact OH-CB 3.38Å; Y617-S667 PolarHBondContact OH-O 3.08Å; Y617-V669 HydrophobicContact CD2-CG2 3.7Å; Y617-V669 HydrophobicContact CE2-CG2 4.04Å
618V98.9Very high98.3Very high0 Ų015 Ų150%010%0.101CC..Hα-helixtrans-65.1-41.4-179.8176.80000111.7V529 A531 E585 V586 Q589 Y614 G615 S620 M621 V622V529-V618 HydrophobicContact CG1-CG1 4.49Å; V529-V618 HydrophobicContact CG2-CB 4.19Å; V529-V618 HydrophobicContact CG2-CG1 3.73Å; A531-V618 HydrophobicContact CB-CG1 4.4Å; A531-V618 HydrophobicContact CB-CG2 4.23Å; E585-V618 HydrophobicContact CG-CG2 4.01Å; V586-V618 HydrophobicContact CG2-CG1 4.33Å; Q589-V618 HydrophobicContact CG-CG1 4.18Å; Y614-V618 HydrophobicContact CD1-CG2 3.58Å; Y614-V618 HydrophobicContact CE1-CG2 3.39Å; Y614-V618 WeakPolarHBondContact O-CG2 3.46Å; Y614-V618 PolarHBondContact O-N 2.88Å; G615-V618 PolarHBondContact O-N 3.29Å; V618-S620 VanDerWaalsContact C-N 3.31Å; V618-S620 PolarHBondContact O-N 3.28Å; V618-M621 PolarHBondContact O-N 3.19Å; V618-V622 HydrophobicContact CG1-CG2 4.15Å; V618-V622 WeakPolarHBondContact O-CB 3.44Å; V618-V622 VanDerWaalsContact O-CG2 3.24Å; V618-V622 WeakPolarHBondContact O-CG2 3.44Å; V618-V622 PolarHBondContact O-N 2.84Å
619S98.9Very high98.2Very high0 Ų015.7 Ų15.70%011%0.105CC..Hα-helixtrans-53.5-50.5172.7-178.10000110.5G615 Y617 M621 V622 L623 M634G615-S619 WeakPolarHBondContact O-CB 3.45Å; G615-S619 PolarHBondContact O-N 2.99Å; Y617-S619 PolarHBondContact O-N 2.98Å; S619-M621 PolarHBondContact O-N 2.93Å; S619-V622 PolarHBondContact O-N 2.91Å; S619-L623 WeakPolarHBondContact O-CG 3.25Å; S619-L623 PolarHBondContact O-N 3.15Å; S619-M634 PolarHBondContact OG-O 2.85Å
620S98.9Very high98.2Very high0 Ų016.3 Ų16.30%011%0.108CC..Hα-helixtrans-66.9-38.5179.9-50.90000112.5G616 Y617 V618 L623 G624 A635 F676 Y681G616-S620 WeakPolarHBondContact O-CB 3.29Å; G616-S620 PolarHBondContact O-N 3.05Å; G616-S620 PolarHBondContact O-OG 3.05Å; Y617-S620 PolarHBondContact O-N 2.78Å; V618-S620 VanDerWaalsContact C-N 3.31Å; V618-S620 PolarHBondContact O-N 3.28Å; S620-L623 PolarHBondContact O-N 3.06Å; S620-G624 PolarHBondContact O-N 3.01Å; S620-A635 WeakPolarHBondContact OG-CB 3.3Å; S620-F676 VanDerWaalsContact O-CZ 3.24Å; S620-F676 WeakPolarHBondContact O-CZ 3.42Å; S620-Y681 PolarHBondContact OG-OH 3.24Å
621M98.8Very high98.2Very high1 Ų118.9 Ų18.91%0.00512%0.119CC..Hα-helixtrans-68.6-37.1177.3-70.5-68.5-79.100112.5V586 Y617 V618 S619 G624 S625 V669V586-M621 HydrophobicContact CG1-CB 4.39Å; V586-M621 HydrophobicContact CG2-CB 3.56Å; V586-M621 HydrophobicContact CG2-CG 4.47Å; Y617-M621 HydrophobicContact CD1-CG 4.43Å; Y617-M621 HydrophobicContact CD2-CG 3.79Å; Y617-M621 HydrophobicContact CE1-CG 4.13Å; Y617-M621 HydrophobicContact CE2-CE 4.3Å; Y617-M621 HydrophobicContact CE2-CG 3.45Å; Y617-M621 VanDerWaalsContact CE2-CG 3.45Å; Y617-M621 HydrophobicContact CE2-SD 3.78Å; Y617-M621 HydrophobicContact CG-CG 4.29Å; Y617-M621 WeakPolarHBondContact O-CB 3.31Å; Y617-M621 WeakPolarHBondContact O-CG 3.5Å; Y617-M621 PolarHBondContact O-N 2.56Å; V618-M621 PolarHBondContact O-N 3.19Å; S619-M621 PolarHBondContact O-N 2.93Å; M621-G624 CarbonylContact O-C 3.55Å; M621-S625 WeakPolarHBondContact O-CB 3.39Å; M621-S625 PolarHBondContact O-N 2.91Å; M621-V669 HydrophobicContact CG-CG2 3.97Å; M621-V669 HydrophobicContact SD-CG2 3.86Å
622V98.8Very high98.2Very high0 Ų018.8 Ų18.80%012%0.119CC..Hα-helixtrans-64.2-45.3174.3165.30000110.9V586 Q589 I590 I609 V618 S619 S625 F630V586-V622 HydrophobicContact CB-CG2 4.38Å; V586-V622 HydrophobicContact CG1-CB 4.48Å; V586-V622 HydrophobicContact CG1-CG2 3.79Å; Q589-V622 HydrophobicContact CB-CG2 4.17Å; I590-V622 HydrophobicContact CG1-CG1 3.95Å; I590-V622 HydrophobicContact CG1-CG2 4.31Å; I609-V622 HydrophobicContact CD1-CB 4.04Å; I609-V622 HydrophobicContact CD1-CG1 3.94Å; I609-V622 HydrophobicContact CD1-CG2 4.01Å; I609-V622 HydrophobicContact CG2-CG1 4.45Å; V618-V622 HydrophobicContact CG1-CG2 4.15Å; V618-V622 WeakPolarHBondContact O-CB 3.44Å; V618-V622 VanDerWaalsContact O-CG2 3.24Å; V618-V622 WeakPolarHBondContact O-CG2 3.44Å; V618-V622 PolarHBondContact O-N 2.84Å; S619-V622 PolarHBondContact O-N 2.91Å; V622-S625 WeakPolarHBondContact O-CB 3.37Å; V622-S625 PolarHBondContact O-N 2.86Å; V622-S625 PolarHBondContact O-OG 2.86Å; V622-F630 HydrophobicContact CG1-CD2 3.43Å; V622-F630 VanDerWaalsContact CG1-CD2 3.43Å; V622-F630 HydrophobicContact CG1-CE2 3.14Å; V622-F630 HydrophobicContact CG1-CG 4.28Å; V622-F630 HydrophobicContact CG1-CZ 3.77Å
623L98.6Very high98.2Very high3 Ų316.8 Ų16.82%0.01611%0.111CC..Hα-helixtrans-64.3-48.2175.2-67175.4000111.1I609 S619 S620 S625 N626 F630 F676 V679 Y681I609-L623 HydrophobicContact CG2-CD2 3.98Å; I609-L623 HydrophobicContact CG2-CG 4.1Å; S619-L623 WeakPolarHBondContact O-CG 3.25Å; S619-L623 PolarHBondContact O-N 3.15Å; S620-L623 PolarHBondContact O-N 3.06Å; L623-S625 PolarHBondContact O-N 2.8Å; L623-S625 VanDerWaalsContact O-N 3.07Å; L623-N626 PolarHBondContact O-N 3.07Å; L623-F630 HydrophobicContact CD2-CB 3.91Å; L623-F676 HydrophobicContact CB-CD1 4.29Å; L623-F676 HydrophobicContact CB-CE1 3.75Å; L623-F676 HydrophobicContact CB-CZ 4.07Å; L623-F676 HydrophobicContact CD1-CE1 4.05Å; L623-V679 HydrophobicContact CB-CG2 4.25Å; L623-V679 HydrophobicContact CD2-CB 4.26Å; L623-V679 HydrophobicContact CD2-CG1 4.18Å; L623-V679 HydrophobicContact CD2-CG2 4.2Å; L623-Y681 HydrophobicContact CD1-CD2 3.53Å; L623-Y681 HydrophobicContact CD1-CE2 3.98Å
624G97.6Very high98.2Very high0 Ų016.3 Ų16.30%011%0.107CC..THydrogen-bonded Turntrans-65-8.1175.800000114.4S620 M621 N626 N675S620-G624 PolarHBondContact O-N 3.01Å; M621-G624 CarbonylContact O-C 3.55Å; G624-N626 VanDerWaalsContact C-N 3.28Å; G624-N675 WeakPolarHBondContact O-CB 3.33Å; G624-N675 PolarHBondContact O-ND2 3.18Å
625S96.9Very high98.2Very high47 Ų4716.1 Ų16.133%0.32911%0.107SC..THydrogen-bonded Turntrans-78.7-12.5172.4105.60000112.7I590 M621 V622 L623 S627I590-S625 VanDerWaalsContact CD1-OG 3.28Å; I590-S625 WeakPolarHBondContact CD1-OG 3.29Å; M621-S625 WeakPolarHBondContact O-CB 3.39Å; M621-S625 PolarHBondContact O-N 2.91Å; V622-S625 WeakPolarHBondContact O-CB 3.37Å; V622-S625 PolarHBondContact O-N 2.86Å; V622-S625 PolarHBondContact O-OG 2.86Å; L623-S625 PolarHBondContact O-N 2.8Å; L623-S625 VanDerWaalsContact O-N 3.07Å; S625-S627 VanDerWaalsContact C-N 3.26Å; S625-S627 PolarHBondContact O-N 3.49Å; S625-S627 WeakPolarHBondContact OG-CB 3.39Å; S625-S627 PolarHBondContact OG-N 2.91Å
626N94.5Very high98.2Very high82 Ų8216.1 Ų16.144%0.43911%0.107SC..THydrogen-bonded Turntrans48.444.3-173.7-162.121.9000113.5L623 G624 G628 N675 S678L623-N626 PolarHBondContact O-N 3.07Å; G624-N626 VanDerWaalsContact C-N 3.28Å; N626-G628 PolarHBondContact O-N 3.22Å; N626-N675 HydrophobicContact CB-CB 4.03Å; N626-S678 PolarHBondContact OD1-OG 2.96Å
627S96.9Very high98.2Very high36 Ų3616.2 Ų16.225%0.25211%0.107SC..  trans-68.2-14.7-175.262.20000114.6S625 V629S625-S627 VanDerWaalsContact C-N 3.26Å; S625-S627 PolarHBondContact O-N 3.49Å; S625-S627 WeakPolarHBondContact OG-CB 3.39Å; S625-S627 PolarHBondContact OG-N 2.91Å; S627-V629 PolarHBondContact O-N 2.82Å; S627-V629 PolarHBondContact OG-N 2.94Å
628G96.6Very high98.2Very high74 Ų7416.2 Ų16.276%0.76311%0.107SC*.SBendtrans69.99.9-172.900000114.4N626N626-G628 PolarHBondContact O-N 3.22Å
629V98.2Very high98.2Very high14 Ų1416.3 Ų16.39%0.08511%0.108CC..  trans-90.8-32.4-178.2177.30000112.5I590 T593 K594 I597 V607 S627I590-V629 HydrophobicContact CG2-CG2 4.09Å; T593-V629 HydrophobicContact CG2-CG1 3.45Å; T593-V629 VanDerWaalsContact CG2-CG1 3.45Å; K594-V629 HydrophobicContact CD-CG2 4.19Å; K594-V629 HydrophobicContact CG-CG2 3.8Å; I597-V629 HydrophobicContact CD1-CG1 4.16Å; V607-V629 WeakPolarHBondContact CB-O 3.15Å; S627-V629 PolarHBondContact O-N 2.82Å; S627-V629 PolarHBondContact OG-N 2.94Å
630F98.6Very high98.1Very high13 Ų1316.3 Ų16.36%0.05711%0.108CC..  trans-109.1136-172.6-60.8-87000110.1I527 I590 T593 V607 I609 V622 L623 V679I527-F630 HydrophobicContact CB-CE1 4.45Å; I527-F630 HydrophobicContact CG1-CE1 3.82Å; I527-F630 HydrophobicContact CG1-CZ 4.36Å; I590-F630 HydrophobicContact CG1-CE2 4.19Å; T593-F630 HydrophobicContact CG2-CE1 3.95Å; T593-F630 HydrophobicContact CG2-CZ 3.85Å; T593-F630 WeakPolarHBondContact OG1-CZ 3.31Å; V607-F630 HydrophobicContact CG1-CD1 3.77Å; V607-F630 HydrophobicContact CG1-CE1 3.91Å; V607-F630 WeakPolarHBondContact O-CA 3.12Å; I609-F630 HydrophobicContact CB-CD1 3.8Å; I609-F630 HydrophobicContact CB-CE1 3.72Å; I609-F630 HydrophobicContact CB-CZ 4.49Å; I609-F630 HydrophobicContact CD1-CE1 4.35Å; I609-F630 HydrophobicContact CD1-CZ 4.34Å; I609-F630 HydrophobicContact CG2-CD1 3.87Å; I609-F630 HydrophobicContact CG2-CE1 4.2Å; I609-F630 HydrophobicContact CG2-CG 4.24Å; V622-F630 HydrophobicContact CG1-CD2 3.43Å; V622-F630 VanDerWaalsContact CG1-CD2 3.43Å; V622-F630 HydrophobicContact CG1-CE2 3.14Å; V622-F630 HydrophobicContact CG1-CG 4.28Å; V622-F630 HydrophobicContact CG1-CZ 3.77Å; L623-F630 HydrophobicContact CD2-CB 3.91Å; F630-V679 WeakPolarHBondContact O-CG1 3.42Å
631K98.3Very high98.1Very high69 Ų6918.4 Ų18.430%0.312%0.117SC..SBendtrans-83.5-36.5173.5-178.5174.2176.7-168.20111.4D605 V607 V679 Q680 C742 E744D605-K631 WeakPolarHBondContact O-CD 3.44Å; V607-K631 PolarHBondContact O-N 3.45Å; K631-V679 WeakPolarHBondContact O-CA 3.13Å; K631-Q680 PolarHBondContact O-N 3.01Å; K631-Q680 VanDerWaalsContact O-N 3.09Å; K631-C742 VanDerWaalsContact CD-O 3.23Å; K631-C742 WeakPolarHBondContact CD-O 3.41Å; K631-C742 WeakPolarHBondContact CE-O 3.37Å; K631-C742 PolarHBondContact NZ-O 2.84Å; K631-E744 PolarHBondContact NZ-OXT 2.66Å
632C98.7Very high98.1Very high0 Ų018.4 Ų18.40%012%0.117CC..EExtended strand (participates in β ladder)trans-152.8169.9179.5650000112A608 I609 Q680 F738 C742A608-C632 VanDerWaalsContact CA-O 3.26Å; A608-C632 WeakPolarHBondContact CA-O 3.25Å; A608-C632 VanDerWaalsContact CB-SG 3.56Å; I609-C632 PolarHBondContact N-O 3.3Å; C632-Q680 CarbonylContact C-O 3.58Å; C632-Q680 WeakPolarHBondContact CA-O 3.39Å; C632-Q680 HydrophobicContact CB-CB 3.73Å; C632-Q680 VanDerWaalsContact CB-O 3.3Å; C632-Q680 WeakPolarHBondContact CB-O 3.48Å; C632-F738 HydrophobicContact CB-CE1 4.04Å; C632-F738 HydrophobicContact CB-CZ 4.2Å; C632-C742 HydrophobicContact CB-CB 3.79Å; C632-C742 WeakPolarHBondContact CB-SG 3.37Å; C632-C742 WeakPolarHBondContact SG-CB 3.47Å; C632-C742 CovalentContact SG-SG 2.01Å; C632-C742 PolarHBondContact SG-SG 3.08Å
633G98.8Very high98Very high0 Ų020.5 Ų20.50%013%0.127CC..EExtended strand (participates in β ladder)trans-163.5170.5164.100000114.1I609 Q680 Y681 L682I609-G633 CarbonylContact O-C 3.19Å; I609-G633 WeakPolarHBondContact O-CA 3.49Å; G633-Q680 PolarHBondContact N-O 3.46Å; G633-Y681 WeakPolarHBondContact O-CA 3.45Å; G633-L682 PolarHBondContact O-N 2.98Å
634M98.9Very high98Very high0 Ų022.4 Ų22.40%013%0.134CC..EExtended strand (participates in β ladder)trans-126.5139.1-173.2-57.5167.9-83.400108.9L526 W546 I609 W610 G611 S619 L682 M735 F738 L739L526-M634 HydrophobicContact CD1-CE 4.06Å; W546-M634 HydrophobicContact CH2-CE 4.01Å; I609-M634 PolarHBondContact O-N 3.34Å; W610-M634 VanDerWaalsContact CA-O 3.29Å; W610-M634 WeakPolarHBondContact CA-O 3.44Å; W610-M634 HydrophobicContact CB-CB 4.02Å; W610-M634 HydrophobicContact CB-CE 3.89Å; G611-M634 PolarHBondContact N-O 2.66Å; S619-M634 PolarHBondContact OG-O 2.85Å; M634-L682 WeakPolarHBondContact CA-O 3.19Å; M634-L682 HydrophobicContact CB-CB 4.4Å; M634-L682 HydrophobicContact CG-CB 3.98Å; M634-L682 HydrophobicContact CG-CD2 4.01Å; M634-L682 HydrophobicContact CG-CG 4.49Å; M634-L682 HydrophobicContact SD-CD2 4.3Å; M634-M735 HydrophobicContact CB-CE 4.31Å; M634-M735 HydrophobicContact CE-CE 4.41Å; M634-M735 HydrophobicContact SD-CB 3.64Å; M634-M735 HydrophobicContact SD-CE 4.03Å; M634-M735 HydrophobicContact SD-CG 3.83Å; M634-F738 HydrophobicContact CG-CD1 3.46Å; M634-F738 VanDerWaalsContact CG-CD1 3.46Å; M634-F738 HydrophobicContact CG-CE1 3.63Å; M634-F738 HydrophobicContact CG-CG 4.42Å; M634-F738 HydrophobicContact SD-CD1 3.64Å; M634-F738 HydrophobicContact SD-CE1 4.36Å; M634-F738 HydrophobicContact SD-CG 4.46Å; M634-L739 HydrophobicContact CE-CB 4.14Å; M634-L739 HydrophobicContact CE-CD1 4.02Å; M634-L739 HydrophobicContact CE-CG 4.47Å
635A98.9Very high98Very high0 Ų023 Ų230%014%0.136CC..EExtended strand (participates in β ladder)trans-131.5116.8176.900000109.6S620 P638 Y681 L682 V684S620-A635 WeakPolarHBondContact OG-CB 3.3Å; A635-P638 HydrophobicContact CB-CB 4.09Å; A635-P638 HydrophobicContact CB-CG 4.01Å; A635-Y681 HydrophobicContact CB-CE2 3.78Å; A635-Y681 WeakPolarHBondContact CB-OH 3.47Å; A635-L682 PolarHBondContact N-O 3.49Å; A635-V684 PolarHBondContact O-N 2.9Å
636V98.9Very high98.1Very high0 Ų020.7 Ų20.70%012%0.121CC..EExtended strand (participates in β ladder)trans-103.2127.1176.3-171.10000109.2G611 W612 S613 P638 V684 L723 V731 M735G611-V636 PolarHBondContact O-N 2.86Å; W612-V636 CarbonylContact C-O 3.34Å; W612-V636 WeakPolarHBondContact CA-O 3.31Å; W612-V636 HydrophobicContact CB-CB 4.26Å; W612-V636 HydrophobicContact CD2-CB 3.7Å; W612-V636 HydrophobicContact CD2-CG1 3.44Å; W612-V636 VanDerWaalsContact CD2-CG1 3.44Å; W612-V636 VanDerWaalsContact CE2-CG1 3.44Å; W612-V636 HydrophobicContact CE3-CB 3.95Å; W612-V636 HydrophobicContact CE3-CG1 3.73Å; W612-V636 HydrophobicContact CE3-CG2 4.27Å; W612-V636 HydrophobicContact CG-CB 3.84Å; W612-V636 HydrophobicContact CG-CG1 3.98Å; W612-V636 HydrophobicContact CH2-CG1 4.06Å; W612-V636 HydrophobicContact CZ2-CG1 3.77Å; W612-V636 HydrophobicContact CZ3-CG1 4.03Å; S613-V636 PolarHBondContact N-O 2.88Å; V636-P638 VanDerWaalsContact C-CD 3.49Å; V636-V684 CarbonylContact C-O 3.49Å; V636-V684 WeakPolarHBondContact CA-O 3.4Å; V636-V684 HydrophobicContact CB-CB 4.41Å; V636-V684 HydrophobicContact CG1-CB 4.22Å; V636-V684 HydrophobicContact CG1-CG1 4.17Å; V636-V684 HydrophobicContact CG2-CB 4.14Å; V636-V684 HydrophobicContact CG2-CG2 4.47Å; V636-L723 HydrophobicContact CG1-CD1 3.9Å; V636-V731 HydrophobicContact CG2-CG2 4.37Å; V636-M735 HydrophobicContact CG2-CE 4.36Å; V636-M735 HydrophobicContact CG2-SD 3.79Å
637A98.8Very high98.3Very high1 Ų116.8 Ų16.81%0.00810%0.1CC..SBendtrans43.351.8-176.200000113.9S613 V684 H685 V692S613-A637 WeakPolarHBondContact CA-O 3.45Å; S613-A637 PolarHBondContact N-O 2.95Å; A637-V684 PolarHBondContact N-O 3.38Å; A637-H685 VanDerWaalsContact CA-CE1 3.47Å; A637-H685 WeakPolarHBondContact CA-CE1 3.41Å; A637-V692 WeakPolarHBondContact O-CG1 3.27Å
638P98.8Very high98.3Very high0 Ų015.1 Ų15.10%09%0.088CC..  trans-72.5140.6-17530.4-34.9000112.2G616 A635 V636 L683 V692 Q696 I700G616-P638 VanDerWaalsContact C-CB 3.47Å; A635-P638 HydrophobicContact CB-CB 4.09Å; A635-P638 HydrophobicContact CB-CG 4.01Å; V636-P638 VanDerWaalsContact C-CD 3.49Å; P638-L683 HydrophobicContact CG-CD1 3.51Å; P638-V692 WeakPolarHBondContact O-CG1 3.48Å; P638-Q696 WeakPolarHBondContact O-CB 3.31Å; P638-I700 HydrophobicContact CB-CD1 4.27Å; P638-I700 HydrophobicContact CG-CD1 3.71Å
639V98.8Very high98.4Very high2 Ų212.1 Ų12.11%0.0125%0.053CC..  trans-65.3139155.7175.90000108Y617 W642 Y645 V692Y617-V639 WeakPolarHBondContact CB-O 3.34Å; Y617-V639 VanDerWaalsContact CD2-O 3.31Å; Y617-V639 WeakPolarHBondContact CD2-O 3.45Å; V639-W642 HydrophobicContact CB-CH2 4.21Å; V639-W642 HydrophobicContact CB-CZ3 4.35Å; V639-W642 HydrophobicContact CG1-CD2 4.14Å; V639-W642 HydrophobicContact CG1-CE3 3.9Å; V639-W642 HydrophobicContact CG1-CH2 3.93Å; V639-W642 HydrophobicContact CG1-CZ2 4.25Å; V639-W642 HydrophobicContact CG1-CZ3 3.78Å; V639-W642 HydrophobicContact CG2-CH2 4.27Å; V639-W642 HydrophobicContact CG2-CZ3 4.17Å; V639-Y645 HydrophobicContact CG2-CD2 3.91Å; V639-Y645 HydrophobicContact CG2-CE2 4.17Å; V639-Y645 HydrophobicContact CG2-CG 4.3Å; V639-V692 HydrophobicContact CG2-CG1 3.94Å; V639-V692 HydrophobicContact CG2-CG2 4.06Å
640S97.9Very high98.4Very high0 Ų011.4 Ų11.40%05%0.049CC..  trans-118.1-36179.379.60000113.5T668 V669 Q696 I700S640-T668 WeakPolarHBondContact O-CA 3.03Å; S640-V669 PolarHBondContact O-N 3.08Å; S640-Q696 VanDerWaalsContact CB-O 3.29Å; S640-Q696 WeakPolarHBondContact CB-O 3.4Å; S640-Q696 PolarHBondContact OG-O 2.89Å; S640-Q696 PolarHBondContact OG-OE1 2.92Å; S640-I700 VanDerWaalsContact CB-CD1 3.48Å
641K97.5Very high98.4Very high44 Ų4410.9 Ų10.919%0.1915%0.047CC..  trans-136.1137.9171.1-57.7-176.3-172.6154.50109.2E643 Y644 T668 T670 Q696 E699K641-E643 VanDerWaalsContact C-N 3.3Å; K641-E643 PolarHBondContact O-N 3.02Å; K641-Y644 HydrophobicContact CB-CD2 3.86Å; K641-Y644 HydrophobicContact CB-CE2 4.11Å; K641-Y644 HydrophobicContact CB-CG 4.25Å; K641-Y644 HydrophobicContact CD-CD2 4.23Å; K641-Y644 HydrophobicContact CD-CE2 3.59Å; K641-Y644 HydrophobicContact CG-CD2 4.28Å; K641-Y644 HydrophobicContact CG-CE2 4.09Å; K641-Y644 PolarHBondContact NZ-OH 2.84Å; K641-Y644 PolarHBondContact O-N 3.1Å; K641-T668 HydrophobicContact CB-CG2 4.28Å; K641-T668 HydrophobicContact CD-CG2 4.42Å; K641-T668 HydrophobicContact CG-CG2 3.85Å; K641-T670 WeakPolarHBondContact CE-OG1 3.34Å; K641-Q696 PolarHBondContact O-NE2 2.85Å; K641-Q696 VanDerWaalsContact O-NE2 3.09Å; K641-Q696 PolarHBondContact O-OE1 2.65Å; K641-E699 IonicContact NZ-OE2 3.61Å; K641-E699 PolarHBondContact NZ-OE2 2.81Å
642W98.5Very high98.5Very high1 Ų17.6 Ų7.60%0.0043%0.033CC..G310 helixtrans-71.2-26.1-178-73.5108000112.6L581 Y614 Y617 V639 Y644 Y645 Y649 T650 Y664 S667L581-W642 HydrophobicContact CB-CZ2 4.18Å; L581-W642 HydrophobicContact CD1-CD2 3.99Å; L581-W642 HydrophobicContact CD1-CE3 4.26Å; L581-W642 HydrophobicContact CD1-CH2 4.1Å; L581-W642 HydrophobicContact CD1-CZ2 3.72Å; L581-W642 HydrophobicContact CD1-CZ3 4.33Å; Y614-W642 AromaticContact CD2-CH2 3.4Å; Y614-W642 HydrophobicContact CD2-CH2 3.4Å; Y614-W642 AromaticContact CD2-CZ2 3.98Å; Y614-W642 HydrophobicContact CD2-CZ2 3.98Å; Y614-W642 HydrophobicContact CD2-CZ3 4.44Å; Y614-W642 AromaticContact CE2-CH2 3.19Å; Y614-W642 HydrophobicContact CE2-CH2 3.19Å; Y614-W642 AromaticContact CE2-CZ2 3.37Å; Y614-W642 HydrophobicContact CE2-CZ2 3.37Å; Y614-W642 HydrophobicContact CE2-CZ3 4.32Å; Y614-W642 AromaticContact CZ-CZ2 3.94Å; Y617-W642 HydrophobicContact CD1-CH2 4.45Å; Y617-W642 AromaticContact CD1-CZ2 3.64Å; Y617-W642 HydrophobicContact CD1-CZ2 3.64Å; Y617-W642 HydrophobicContact CD2-CZ2 4.45Å; Y617-W642 AromaticContact CE1-CE2 4Å; Y617-W642 AromaticContact CE1-CZ2 3.53Å; Y617-W642 HydrophobicContact CE1-CZ2 3.53Å; Y617-W642 AromaticContact CE1-NE1 3.83Å; Y617-W642 HydrophobicContact CE2-CZ2 4.36Å; Y617-W642 AromaticContact CE2-NE1 3.83Å; Y617-W642 HydrophobicContact CG-CZ2 4.1Å; Y617-W642 AromaticContact CZ-CE2 3.9Å; Y617-W642 AromaticContact CZ-CZ2 3.9Å; Y617-W642 AromaticContact CZ-NE1 3.33Å; Y617-W642 VanDerWaalsContact CZ-NE1 3.33Å; Y617-W642 PolarHBondContact OH-NE1 3.49Å; Y617-W642 VanDerWaalsContact OH-NE1 3.13Å; V639-W642 HydrophobicContact CB-CH2 4.21Å; V639-W642 HydrophobicContact CB-CZ3 4.35Å; V639-W642 HydrophobicContact CG1-CD2 4.14Å; V639-W642 HydrophobicContact CG1-CE3 3.9Å; V639-W642 HydrophobicContact CG1-CH2 3.93Å; V639-W642 HydrophobicContact CG1-CZ2 4.25Å; V639-W642 HydrophobicContact CG1-CZ3 3.78Å; V639-W642 HydrophobicContact CG2-CH2 4.27Å; V639-W642 HydrophobicContact CG2-CZ3 4.17Å; W642-Y644 PolarHBondContact O-N 2.85Å; W642-Y644 VanDerWaalsContact O-N 3.13Å; W642-Y645 HydrophobicContact CZ3-CD1 4.18Å; W642-Y645 HydrophobicContact CZ3-CG 4.48Å; W642-Y645 PolarHBondContact O-N 3.5Å; W642-Y649 HydrophobicContact CE3-CE1 4.41Å; W642-Y649 AromaticContact CH2-CE1 3.98Å; W642-Y649 HydrophobicContact CH2-CE1 3.98Å; W642-Y649 AromaticContact CZ3-CD1 4Å; W642-Y649 HydrophobicContact CZ3-CD1 4Å; W642-Y649 AromaticContact CZ3-CE1 3.55Å; W642-Y649 HydrophobicContact CZ3-CE1 3.55Å; W642-T650 HydrophobicContact CB-CG2 3.71Å; W642-T650 HydrophobicContact CD2-CG2 4.44Å; W642-T650 HydrophobicContact CE3-CG2 4.08Å; W642-T650 HydrophobicContact CG-CG2 4.32Å; W642-Y664 HydrophobicContact CB-CD1 3.73Å; W642-Y664 HydrophobicContact CB-CE1 3.75Å; W642-S667 VanDerWaalsContact CD1-OG 3.22Å
643E97.7Very high98.4Very high44 Ų447.6 Ų7.621%0.2063%0.033CC..G310 helixtrans-63.7-14.7171.9-64.295.3148.300113.9K641 R661 Y664K641-E643 VanDerWaalsContact C-N 3.3Å; K641-E643 PolarHBondContact O-N 3.02Å; E643-R661 IonicContact OE1-NH1 3.23Å; E643-Y664 VanDerWaalsContact CD-CD1 3.47Å; E643-Y664 HydrophobicContact CG-CD1 3.69Å; E643-Y664 HydrophobicContact CG-CE1 4.19Å; E643-Y664 HydrophobicContact CG-CG 4.49Å; E643-Y664 WeakPolarHBondContact OE1-CB 3.44Å
644Y98.3Very high98.4Very high44 Ų447.6 Ų7.617%0.1733%0.033CC..G310 helixtrans-97.5-4.6-179.5-64.2-16.1000113.8K256 K641 W642 Q695 Q696 E699K256-Y644 PolarHBondContact NZ-O 3.31Å; K641-Y644 HydrophobicContact CB-CD2 3.86Å; K641-Y644 HydrophobicContact CB-CE2 4.11Å; K641-Y644 HydrophobicContact CB-CG 4.25Å; K641-Y644 HydrophobicContact CD-CD2 4.23Å; K641-Y644 HydrophobicContact CD-CE2 3.59Å; K641-Y644 HydrophobicContact CG-CD2 4.28Å; K641-Y644 HydrophobicContact CG-CE2 4.09Å; K641-Y644 PolarHBondContact NZ-OH 2.84Å; K641-Y644 PolarHBondContact O-N 3.1Å; W642-Y644 PolarHBondContact O-N 2.85Å; W642-Y644 VanDerWaalsContact O-N 3.13Å; Y644-Q695 HydrophobicContact CD2-CG 4.18Å; Y644-Q695 HydrophobicContact CE2-CG 4.37Å; Y644-Q695 HydrophobicContact CG-CG 4.49Å; Y644-Q696 VanDerWaalsContact CB-NE2 3.26Å; Y644-E699 HydrophobicContact CD2-CG 4.39Å; Y644-E699 HydrophobicContact CE2-CB 4.17Å; Y644-E699 HydrophobicContact CE2-CG 3.57Å; Y644-E699 WeakPolarHBondContact CE2-OE2 3.14Å; Y644-E699 VanDerWaalsContact OH-CD 3.32Å; Y644-E699 PolarHBondContact OH-OE2 2.81Å
645Y98.6Very high98.4Very high11 Ų118.3 Ų8.34%0.0434%0.036CC..SBendtrans-97.3-175.6176.9-155.4-117.1000110.6K256 P257 V639 W642 Y649 N691 V692K256-Y645 WeakPolarHBondContact CA-O 3.33Å; P257-Y645 WeakPolarHBondContact CD-O 3.28Å; V639-Y645 HydrophobicContact CG2-CD2 3.91Å; V639-Y645 HydrophobicContact CG2-CE2 4.17Å; V639-Y645 HydrophobicContact CG2-CG 4.3Å; W642-Y645 HydrophobicContact CZ3-CD1 4.18Å; W642-Y645 HydrophobicContact CZ3-CG 4.48Å; W642-Y645 PolarHBondContact O-N 3.5Å; Y645-Y649 AromaticContact CD1-CD1 3.59Å; Y645-Y649 HydrophobicContact CD1-CD1 3.59Å; Y645-Y649 HydrophobicContact CD1-CE1 4.34Å; Y645-Y649 AromaticContact CD1-CG 3.91Å; Y645-Y649 HydrophobicContact CD1-CG 3.91Å; Y645-Y649 AromaticContact CE1-CD1 3.53Å; Y645-Y649 HydrophobicContact CE1-CD1 3.53Å; Y645-Y649 HydrophobicContact CE1-CD2 4.08Å; Y645-Y649 HydrophobicContact CE1-CE1 4.16Å; Y645-Y649 AromaticContact CE1-CG 3.49Å; Y645-Y649 HydrophobicContact CE1-CG 3.49Å; Y645-Y649 VanDerWaalsContact CE1-CG 3.49Å; Y645-N691 WeakPolarHBondContact CE2-O 3.32Å; Y645-N691 WeakPolarHBondContact CE2-OD1 3.43Å; Y645-N691 PolarHBondContact OH-OD1 2.92Å; Y645-V692 HydrophobicContact CD2-CG2 4.32Å; Y645-V692 HydrophobicContact CE2-CB 4.33Å; Y645-V692 HydrophobicContact CE2-CG2 3.56Å
646D98.3Very high98.3Very high0 Ų010.5 Ų10.50%05%0.047CC..  trans-80.3159.1-174.175.288.3000113.1W201 V202 E206 Y254 P255 I648 Y649 T650W201-D646 HydrophobicContact CH2-CB 4.43Å; W201-D646 HydrophobicContact CZ3-CB 3.8Å; V202-D646 HydrophobicContact CG2-CB 4.08Å; E206-D646 WeakPolarHBondContact CG-OD1 3.37Å; Y254-D646 HydrophobicContact CE1-CB 3.76Å; Y254-D646 HydrophobicContact CE2-CB 4.28Å; Y254-D646 PolarHBondContact OH-N 2.91Å; P255-D646 CarbonylContact O-C 3.47Å; P255-D646 VanDerWaalsContact O-CA 3.3Å; P255-D646 WeakPolarHBondContact O-CA 3.48Å; D646-I648 WeakPolarHBondContact OD1-CA 3.14Å; D646-I648 PolarHBondContact OD1-N 2.88Å; D646-Y649 WeakPolarHBondContact OD1-CB 3.49Å; D646-Y649 PolarHBondContact OD1-N 3.32Å; D646-Y649 WeakPolarHBondContact OD2-CB 3.3Å; D646-T650 WeakPolarHBondContact O-CB 3.29Å; D646-T650 PolarHBondContact O-N 3.48Å; D646-T650 VanDerWaalsContact O-N 3.14Å; D646-T650 PolarHBondContact O-OG1 3.13Å
647T97.9Very high98.3Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-64-46.1178.746.90000113.5P255 K256 N261 E651P255-T647 HydrophobicContact CB-CG2 3.75Å; P255-T647 HydrophobicContact CG-CG2 4.42Å; P255-T647 WeakPolarHBondContact CG-OG1 3.28Å; P255-T647 PolarHBondContact O-N 2.93Å; K256-T647 WeakPolarHBondContact O-CG2 3.36Å; N261-T647 WeakPolarHBondContact OD1-CB 3.43Å; N261-T647 PolarHBondContact OD1-OG1 3.05Å; T647-E651 WeakPolarHBondContact O-CB 3.45Å; T647-E651 VanDerWaalsContact O-CG 3.31Å; T647-E651 WeakPolarHBondContact O-CG 3.45Å; T647-E651 PolarHBondContact O-N 3.39Å
648I98.3Very high98.2Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-67-47.2-170.3-65.7-169.9000109.6V202 E206 M207 Y292 Q313 D646 R652V202-I648 HydrophobicContact CB-CD1 4.31Å; V202-I648 HydrophobicContact CG1-CD1 3.75Å; V202-I648 HydrophobicContact CG1-CG1 4.31Å; V202-I648 HydrophobicContact CG2-CB 3.96Å; V202-I648 HydrophobicContact CG2-CD1 3.76Å; V202-I648 HydrophobicContact CG2-CG1 3.64Å; E206-I648 HydrophobicContact CB-CB 3.67Å; E206-I648 HydrophobicContact CB-CG2 3.52Å; E206-I648 HydrophobicContact CG-CB 4.45Å; M207-I648 HydrophobicContact CB-CD1 4.44Å; M207-I648 HydrophobicContact CE-CD1 4.07Å; M207-I648 HydrophobicContact CE-CG2 3.8Å; Y292-I648 HydrophobicContact CD1-CD1 4.11Å; Y292-I648 HydrophobicContact CE1-CD1 3.87Å; Y292-I648 HydrophobicContact CE1-CG1 3.85Å; Y292-I648 HydrophobicContact CE2-CG1 4.25Å; Q313-I648 PolarHBondContact NE2-O 3.18Å; D646-I648 WeakPolarHBondContact OD1-CA 3.14Å; D646-I648 PolarHBondContact OD1-N 2.88Å; I648-R652 WeakPolarHBondContact O-CB 3.45Å
649Y98.6Very high98.1Very high11 Ų1120.5 Ų20.54%0.04310%0.104CC..Hα-helixtrans-63.2-56.5174.1-174.5-88.7000111.1E206 F345 P533 Y614 W642 Y645 D646 R652 Y653E206-Y649 WeakPolarHBondContact OE2-CD2 3.38Å; F345-Y649 HydrophobicContact CE2-CD2 4.3Å; F345-Y649 HydrophobicContact CE2-CE2 4.39Å; P533-Y649 WeakPolarHBondContact CD-OH 3.44Å; Y614-Y649 HydrophobicContact CD2-CE1 4.35Å; Y614-Y649 WeakPolarHBondContact CD2-OH 3.49Å; Y614-Y649 HydrophobicContact CE2-CE1 4.39Å; Y614-Y649 WeakPolarHBondContact CE2-OH 3.41Å; W642-Y649 HydrophobicContact CE3-CE1 4.41Å; W642-Y649 AromaticContact CH2-CE1 3.98Å; W642-Y649 HydrophobicContact CH2-CE1 3.98Å; W642-Y649 AromaticContact CZ3-CD1 4Å; W642-Y649 HydrophobicContact CZ3-CD1 4Å; W642-Y649 AromaticContact CZ3-CE1 3.55Å; W642-Y649 HydrophobicContact CZ3-CE1 3.55Å; Y645-Y649 AromaticContact CD1-CD1 3.59Å; Y645-Y649 HydrophobicContact CD1-CD1 3.59Å; Y645-Y649 HydrophobicContact CD1-CE1 4.34Å; Y645-Y649 AromaticContact CD1-CG 3.91Å; Y645-Y649 HydrophobicContact CD1-CG 3.91Å; Y645-Y649 AromaticContact CE1-CD1 3.53Å; Y645-Y649 HydrophobicContact CE1-CD1 3.53Å; Y645-Y649 HydrophobicContact CE1-CD2 4.08Å; Y645-Y649 HydrophobicContact CE1-CE1 4.16Å; Y645-Y649 AromaticContact CE1-CG 3.49Å; Y645-Y649 HydrophobicContact CE1-CG 3.49Å; Y645-Y649 VanDerWaalsContact CE1-CG 3.49Å; D646-Y649 WeakPolarHBondContact OD1-CB 3.49Å; D646-Y649 PolarHBondContact OD1-N 3.32Å; D646-Y649 WeakPolarHBondContact OD2-CB 3.3Å; Y649-R652 VanDerWaalsContact O-CB 3.25Å; Y649-R652 WeakPolarHBondContact O-CB 3.35Å; Y649-R652 PolarHBondContact O-N 2.81Å; Y649-Y653 HydrophobicContact CD1-CD2 4.02Å; Y649-Y653 HydrophobicContact CD1-CE2 4.01Å; Y649-Y653 AromaticContact CD2-CE2 3.84Å; Y649-Y653 HydrophobicContact CD2-CE2 3.84Å; Y649-Y653 AromaticContact CE1-CD2 3.8Å; Y649-Y653 HydrophobicContact CE1-CD2 3.8Å; Y649-Y653 AromaticContact CE1-CE2 3.8Å; Y649-Y653 HydrophobicContact CE1-CE2 3.8Å; Y649-Y653 HydrophobicContact CE2-CD2 4.46Å; Y649-Y653 AromaticContact CE2-CE2 3.63Å; Y649-Y653 HydrophobicContact CE2-CE2 3.63Å; Y649-Y653 HydrophobicContact CG-CD2 4.43Å; Y649-Y653 HydrophobicContact CG-CE2 4.01Å; Y649-Y653 AromaticContact CZ-CE2 3.6Å; Y649-Y653 WeakPolarHBondContact O-CD2 3.27Å; Y649-Y653 WeakPolarHBondContact O-CE2 3.4Å
650T98.6Very high98.1Very high0 Ų021.6 Ų21.60%011%0.11CC..Hα-helixtrans-71.2-45.3-164.4-51.80000111.3P257 W642 D646 R652 Y653 M654 Y664P257-T650 HydrophobicContact CG-CG2 3.7Å; W642-T650 HydrophobicContact CB-CG2 3.71Å; W642-T650 HydrophobicContact CD2-CG2 4.44Å; W642-T650 HydrophobicContact CE3-CG2 4.08Å; W642-T650 HydrophobicContact CG-CG2 4.32Å; D646-T650 WeakPolarHBondContact O-CB 3.29Å; D646-T650 PolarHBondContact O-N 3.48Å; D646-T650 VanDerWaalsContact O-N 3.14Å; D646-T650 PolarHBondContact O-OG1 3.13Å; T650-R652 PolarHBondContact O-N 3.44Å; T650-Y653 PolarHBondContact O-N 2.88Å; T650-Y653 VanDerWaalsContact O-N 3.14Å; T650-M654 HydrophobicContact CG2-CB 4.22Å; T650-M654 HydrophobicContact CG2-CG 4.33Å; T650-M654 VanDerWaalsContact O-CB 3.32Å; T650-M654 WeakPolarHBondContact O-CB 3.44Å; T650-M654 PolarHBondContact O-N 2.91Å; T650-Y664 HydrophobicContact CG2-CE1 3.76Å; T650-Y664 WeakPolarHBondContact CG2-OH 3.21Å
651E98.6Very high98.1Very high1 Ų127.3 Ų27.31%0.00513%0.132CC..Hα-helixtrans-69.1-24.6-178.3-60.7-179.9-171.600112.3P257 G258 R311 T647 Y653 M655 Q656P257-E651 WeakPolarHBondContact CA-OE1 3.44Å; P257-E651 HydrophobicContact CB-CG 4.35Å; G258-E651 PolarHBondContact N-OE1 3.12Å; R311-E651 WeakPolarHBondContact CG-OE2 3.32Å; R311-E651 IonicContact CZ-OE1 2.67Å; R311-E651 IonicContact CZ-OE2 3.79Å; R311-E651 IonicContact NE-OE1 3.54Å; R311-E651 IonicContact NE-OE2 3.07Å; R311-E651 PolarHBondContact NE-OE2 3.37Å; R311-E651 IonicContact NH2-OE1 3.18Å; R311-E651 PolarHBondContact NH2-OE1 3.37Å; R311-E651 IonicContact NH2-OE2 3.74Å; R311-E651 PolarHBondContact NH2-OE2 2.91Å; T647-E651 WeakPolarHBondContact O-CB 3.45Å; T647-E651 VanDerWaalsContact O-CG 3.31Å; T647-E651 WeakPolarHBondContact O-CG 3.45Å; T647-E651 PolarHBondContact O-N 3.39Å; E651-Y653 PolarHBondContact O-N 2.83Å; E651-M655 VanDerWaalsContact O-CA 3.26Å; E651-M655 WeakPolarHBondContact O-CA 3.37Å; E651-M655 PolarHBondContact O-N 2.99Å; E651-Q656 HydrophobicContact CG-CG 4.31Å; E651-Q656 WeakPolarHBondContact OE2-CG 3.49Å
652R98.4Very high98.1Very high1 Ų131 Ų310%0.00415%0.153CC..Hα-helixtrans-55-40.7171.6-170.2178.8-69.7138.9-6.2111.6E206 Q313 W341 F345 Y578 I648 Y649 T650E206-R652 PolarHBondContact O-NH2 3.48Å; E206-R652 IonicContact OE2-NH1 2.73Å; Q313-R652 HydrophobicContact CB-CG 4.38Å; Q313-R652 VanDerWaalsContact OE1-CZ 3.25Å; W341-R652 HydrophobicContact CB-CG 3.71Å; W341-R652 HydrophobicContact CD2-CG 4.37Å; W341-R652 HydrophobicContact CG-CG 3.78Å; F345-R652 VanDerWaalsContact O-CZ 3.3Å; F345-R652 PolarHBondContact O-NE 3.07Å; Y578-R652 WeakPolarHBondContact CE2-O 3.39Å; I648-R652 WeakPolarHBondContact O-CB 3.45Å; Y649-R652 VanDerWaalsContact O-CB 3.25Å; Y649-R652 WeakPolarHBondContact O-CB 3.35Å; Y649-R652 PolarHBondContact O-N 2.81Å; T650-R652 PolarHBondContact O-N 3.44Å
653Y98.4Very high98Very high0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-104.8-28.7-173.8-50.3-58.9000113.1W341 P533 Y578 K579 L581 Y649 T650 E651W341-Y653 AromaticContact CD2-CD1 3.96Å; W341-Y653 HydrophobicContact CD2-CD1 3.96Å; W341-Y653 AromaticContact CD2-CE1 3.92Å; W341-Y653 HydrophobicContact CD2-CE1 3.92Å; W341-Y653 AromaticContact CE2-CD1 3.95Å; W341-Y653 AromaticContact CE2-CE1 3.54Å; W341-Y653 AromaticContact CE3-CD1 3.83Å; W341-Y653 HydrophobicContact CE3-CD1 3.83Å; W341-Y653 HydrophobicContact CE3-CE1 4.26Å; W341-Y653 AromaticContact CH2-CD1 3.68Å; W341-Y653 HydrophobicContact CH2-CD1 3.68Å; W341-Y653 AromaticContact CH2-CE1 3.91Å; W341-Y653 HydrophobicContact CH2-CE1 3.91Å; W341-Y653 AromaticContact CZ2-CD1 3.81Å; W341-Y653 HydrophobicContact CZ2-CD1 3.81Å; W341-Y653 AromaticContact CZ2-CE1 3.53Å; W341-Y653 HydrophobicContact CZ2-CE1 3.53Å; W341-Y653 AromaticContact CZ3-CD1 3.7Å; W341-Y653 HydrophobicContact CZ3-CD1 3.7Å; W341-Y653 HydrophobicContact CZ3-CE1 4.27Å; W341-Y653 AromaticContact NE1-CE1 3.94Å; P533-Y653 HydrophobicContact CB-CD1 3.77Å; P533-Y653 HydrophobicContact CB-CD2 4.22Å; P533-Y653 HydrophobicContact CB-CE1 3.4Å; P533-Y653 HydrophobicContact CB-CE2 3.9Å; P533-Y653 HydrophobicContact CB-CG 4.17Å; P533-Y653 VanDerWaalsContact CB-CZ 3.47Å; P533-Y653 HydrophobicContact CG-CD1 3.98Å; P533-Y653 HydrophobicContact CG-CD2 3.77Å; P533-Y653 HydrophobicContact CG-CE1 4.01Å; P533-Y653 HydrophobicContact CG-CE2 3.82Å; P533-Y653 HydrophobicContact CG-CG 3.86Å; Y578-Y653 VanDerWaalsContact CD2-O 3.26Å; Y578-Y653 WeakPolarHBondContact CD2-O 3.49Å; K579-Y653 WeakPolarHBondContact CA-O 3.48Å; K579-Y653 PolarHBondContact N-O 2.81Å; L581-Y653 HydrophobicContact CD1-CD2 4.4Å; L581-Y653 HydrophobicContact CD2-CG 4.49Å; Y649-Y653 HydrophobicContact CD1-CD2 4.02Å; Y649-Y653 HydrophobicContact CD1-CE2 4.01Å; Y649-Y653 AromaticContact CD2-CE2 3.84Å; Y649-Y653 HydrophobicContact CD2-CE2 3.84Å; Y649-Y653 AromaticContact CE1-CD2 3.8Å; Y649-Y653 HydrophobicContact CE1-CD2 3.8Å; Y649-Y653 AromaticContact CE1-CE2 3.8Å; Y649-Y653 HydrophobicContact CE1-CE2 3.8Å; Y649-Y653 HydrophobicContact CE2-CD2 4.46Å; Y649-Y653 AromaticContact CE2-CE2 3.63Å; Y649-Y653 HydrophobicContact CE2-CE2 3.63Å; Y649-Y653 HydrophobicContact CG-CD2 4.43Å; Y649-Y653 HydrophobicContact CG-CE2 4.01Å; Y649-Y653 AromaticContact CZ-CE2 3.6Å; Y649-Y653 WeakPolarHBondContact O-CD2 3.27Å; Y649-Y653 WeakPolarHBondContact O-CE2 3.4Å; T650-Y653 PolarHBondContact O-N 2.88Å; T650-Y653 VanDerWaalsContact O-N 3.14Å; E651-Y653 PolarHBondContact O-N 2.83Å
654M98.4Very high98.1Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-112.9-5.5-172.4-66.5-65.6-80.800114K579 R580 L581 T650 N660 G663 Y664 S667K579-M654 VanDerWaalsContact C-SD 3.52Å; R580-M654 PolarHBondContact N-SD 3.49Å; L581-M654 HydrophobicContact CB-CG 4.37Å; L581-M654 HydrophobicContact CB-SD 3.79Å; L581-M654 HydrophobicContact CD1-CG 3.76Å; L581-M654 HydrophobicContact CD1-SD 4.24Å; L581-M654 HydrophobicContact CG-CG 3.8Å; L581-M654 HydrophobicContact CG-SD 3.61Å; L581-M654 PolarHBondContact N-SD 2.82Å; T650-M654 HydrophobicContact CG2-CB 4.22Å; T650-M654 HydrophobicContact CG2-CG 4.33Å; T650-M654 VanDerWaalsContact O-CB 3.32Å; T650-M654 WeakPolarHBondContact O-CB 3.44Å; T650-M654 PolarHBondContact O-N 2.91Å; M654-N660 WeakPolarHBondContact O-CB 3.38Å; M654-N660 PolarHBondContact O-ND2 2.86Å; M654-G663 VanDerWaalsContact CE-O 3.26Å; M654-G663 WeakPolarHBondContact CE-O 2.92Å; M654-Y664 HydrophobicContact CB-CD2 4.44Å; M654-Y664 HydrophobicContact CB-CE2 3.7Å; M654-Y664 HydrophobicContact CE-CD2 4.43Å; M654-S667 WeakPolarHBondContact CE-OG 3.3Å
655M97.8Very high98Very high14 Ų1431.1 Ų31.17%0.06916%0.161CC..  trans57.9-175.5-165.7-54.6-177.561.600112K579 E651 E659 N660 Y664K579-M655 HydrophobicContact CD-CG 4.43Å; K579-M655 HydrophobicContact CD-SD 3.67Å; K579-M655 WeakPolarHBondContact CE-SD 3.47Å; K579-M655 HydrophobicContact CG-CG 4.32Å; K579-M655 HydrophobicContact CG-SD 4.2Å; K579-M655 PolarHBondContact NZ-SD 3.09Å; E651-M655 VanDerWaalsContact O-CA 3.26Å; E651-M655 WeakPolarHBondContact O-CA 3.37Å; E651-M655 PolarHBondContact O-N 2.99Å; M655-E659 HydrophobicContact CB-CB 4.28Å; M655-E659 HydrophobicContact CE-CB 4.02Å; M655-E659 HydrophobicContact CE-CG 4.43Å; M655-E659 WeakPolarHBondContact CE-OE1 3.2Å; M655-N660 HydrophobicContact CB-CB 4.3Å; M655-Y664 WeakPolarHBondContact O-CE2 3.35Å; M655-Y664 PolarHBondContact O-OH 3.41Å
656Q97.7Very high98Very high47 Ų4735.6 Ų35.622%0.2219%0.186CC..  trans-70.1150.5174.6-65.8-172.623.700111.3R311 E651 S658 E659 N660R311-Q656 VanDerWaalsContact NE-NE2 3.16Å; E651-Q656 HydrophobicContact CG-CG 4.31Å; E651-Q656 WeakPolarHBondContact OE2-CG 3.49Å; Q656-S658 PolarHBondContact O-N 2.82Å; Q656-S658 VanDerWaalsContact O-N 3.14Å; Q656-E659 HydrophobicContact CB-CG 4.29Å; Q656-E659 PolarHBondContact N-OE2 3.05Å; Q656-E659 PolarHBondContact O-N 3.49Å; Q656-N660 PolarHBondContact O-N 3.02Å
657P97.9Very high97.9Very high10 Ų1035.7 Ų35.77%0.06519%0.186CC..THydrogen-bonded Turntrans-56.9-28.7175-25.633.6000114P257 E659 R661 Y664P257-P657 HydrophobicContact CB-CG 3.64Å; P657-E659 VanDerWaalsContact C-N 3.27Å; P657-E659 PolarHBondContact O-N 3.35Å; P657-R661 WeakPolarHBondContact O-CA 3.09Å; P657-R661 PolarHBondContact O-N 2.87Å; P657-Y664 HydrophobicContact CB-CD2 4.28Å; P657-Y664 HydrophobicContact CB-CE2 4.23Å; P657-Y664 HydrophobicContact CG-CD1 4.4Å; P657-Y664 HydrophobicContact CG-CD2 4.41Å; P657-Y664 HydrophobicContact CG-CE1 3.93Å; P657-Y664 HydrophobicContact CG-CE2 3.97Å
658S97.2Very high97.9Very high96 Ų9636.2 Ų36.267%0.67119%0.19SC*.THydrogen-bonded Turntrans-70-21.7174.450.80000113.7Q656Q656-S658 PolarHBondContact O-N 2.82Å; Q656-S658 VanDerWaalsContact O-N 3.14Å
659E97.3Very high97.9Very high104 Ų10436.3 Ų36.349%0.48619%0.19SC..THydrogen-bonded Turntrans-102-22.3-178-60.4179.1103.200112.9M655 Q656 P657M655-E659 HydrophobicContact CB-CB 4.28Å; M655-E659 HydrophobicContact CE-CB 4.02Å; M655-E659 HydrophobicContact CE-CG 4.43Å; M655-E659 WeakPolarHBondContact CE-OE1 3.2Å; Q656-E659 HydrophobicContact CB-CG 4.29Å; Q656-E659 PolarHBondContact N-OE2 3.05Å; Q656-E659 PolarHBondContact O-N 3.49Å; P657-E659 VanDerWaalsContact C-N 3.27Å; P657-E659 PolarHBondContact O-N 3.35Å
660N98.2Very high97.9Very high25 Ų2536.8 Ų36.813%0.13420%0.195CC..  trans-139.543.9-174.1-170.935.6000113.1K579 M654 M655 Q656 D662 G663 Y664K579-N660 PolarHBondContact O-ND2 3Å; M654-N660 WeakPolarHBondContact O-CB 3.38Å; M654-N660 PolarHBondContact O-ND2 2.86Å; M655-N660 HydrophobicContact CB-CB 4.3Å; Q656-N660 PolarHBondContact O-N 3.02Å; N660-D662 VanDerWaalsContact C-N 3.32Å; N660-D662 PolarHBondContact O-N 3.32Å; N660-G663 WeakPolarHBondContact O-CA 2.91Å; N660-G663 PolarHBondContact O-N 3.47Å; N660-Y664 WeakPolarHBondContact O-CD2 3.35Å; N660-Y664 PolarHBondContact O-N 3.07Å
661R97.7Very high97.9Very high120 Ų12040.1 Ų40.145%0.45322%0.222SC..Hα-helixtrans-50.5-48.9-176.6-179.155.561.2-179.33.4113.2E643 P657 G663 Y664 D665E643-R661 IonicContact OE1-NH1 3.23Å; P657-R661 WeakPolarHBondContact O-CA 3.09Å; P657-R661 PolarHBondContact O-N 2.87Å; R661-G663 PolarHBondContact O-N 2.72Å; R661-Y664 PolarHBondContact O-N 2.82Å; R661-Y664 VanDerWaalsContact O-N 3.1Å; R661-D665 WeakPolarHBondContact CD-OD1 3.27Å; R661-D665 WeakPolarHBondContact CG-OD2 3.36Å; R661-D665 PolarHBondContact O-N 3.19Å
662D97.4Very high97.9Very high121 Ų12142.9 Ų42.965%0.64723%0.232SC*.Hα-helixtrans-59.7-33179.4-65.2-14.1000112.8N660 N666N660-D662 VanDerWaalsContact C-N 3.32Å; N660-D662 PolarHBondContact O-N 3.32Å; D662-N666 VanDerWaalsContact O-CB 3.27Å; D662-N666 WeakPolarHBondContact O-CB 3.48Å; D662-N666 PolarHBondContact O-N 2.57Å; D662-N666 VanDerWaalsContact O-N 3.14Å; D662-N666 PolarHBondContact O-ND2 2.86Å
663G97.8Very high97.8Very high10 Ų1043 Ų4310%0.10323%0.233CC..Hα-helixtrans-65-48.4175.400000111.2M654 N660 R661 S667M654-G663 VanDerWaalsContact CE-O 3.26Å; M654-G663 WeakPolarHBondContact CE-O 2.92Å; N660-G663 WeakPolarHBondContact O-CA 2.91Å; N660-G663 PolarHBondContact O-N 3.47Å; R661-G663 PolarHBondContact O-N 2.72Å; G663-S667 VanDerWaalsContact O-CB 3.23Å; G663-S667 WeakPolarHBondContact O-CB 3.28Å; G663-S667 PolarHBondContact O-N 2.68Å; G663-S667 PolarHBondContact O-OG 2.7Å
664Y98.5Very high97.8Very high0 Ų048.8 Ų48.80%026%0.258CS..Hα-helixtrans-62.8-49.1177.1-79.7-96.1000111.8P257 W642 E643 T650 M654 M655 P657 N660 R661 N666 S667 T668P257-Y664 HydrophobicContact CB-CE1 4.05Å; P257-Y664 WeakPolarHBondContact CB-OH 3.33Å; P257-Y664 HydrophobicContact CG-CE1 4.23Å; W642-Y664 HydrophobicContact CB-CD1 3.73Å; W642-Y664 HydrophobicContact CB-CE1 3.75Å; E643-Y664 VanDerWaalsContact CD-CD1 3.47Å; E643-Y664 HydrophobicContact CG-CD1 3.69Å; E643-Y664 HydrophobicContact CG-CE1 4.19Å; E643-Y664 HydrophobicContact CG-CG 4.49Å; E643-Y664 WeakPolarHBondContact OE1-CB 3.44Å; T650-Y664 HydrophobicContact CG2-CE1 3.76Å; T650-Y664 WeakPolarHBondContact CG2-OH 3.21Å; M654-Y664 HydrophobicContact CB-CD2 4.44Å; M654-Y664 HydrophobicContact CB-CE2 3.7Å; M654-Y664 HydrophobicContact CE-CD2 4.43Å; M655-Y664 WeakPolarHBondContact O-CE2 3.35Å; M655-Y664 PolarHBondContact O-OH 3.41Å; P657-Y664 HydrophobicContact CB-CD2 4.28Å; P657-Y664 HydrophobicContact CB-CE2 4.23Å; P657-Y664 HydrophobicContact CG-CD1 4.4Å; P657-Y664 HydrophobicContact CG-CD2 4.41Å; P657-Y664 HydrophobicContact CG-CE1 3.93Å; P657-Y664 HydrophobicContact CG-CE2 3.97Å; N660-Y664 WeakPolarHBondContact O-CD2 3.35Å; N660-Y664 PolarHBondContact O-N 3.07Å; R661-Y664 PolarHBondContact O-N 2.82Å; R661-Y664 VanDerWaalsContact O-N 3.1Å; Y664-N666 VanDerWaalsContact C-N 3.3Å; Y664-N666 PolarHBondContact O-N 3.18Å; Y664-S667 WeakPolarHBondContact CA-OG 3.17Å; Y664-S667 PolarHBondContact O-N 2.95Å; Y664-S667 VanDerWaalsContact O-N 3.12Å; Y664-S667 PolarHBondContact O-OG 3.05Å; Y664-T668 WeakPolarHBondContact O-CG2 3.45Å
665D97.3Very high97.8Very high82 Ų8250.8 Ų50.844%0.43927%0.269SS..Hα-helixtrans-61-39.6-177.2-66.5-13.5000112R661 S667 T668R661-D665 WeakPolarHBondContact CD-OD1 3.27Å; R661-D665 WeakPolarHBondContact CG-OD2 3.36Å; R661-D665 PolarHBondContact O-N 3.19Å; D665-S667 VanDerWaalsContact C-N 3.33Å; D665-S667 PolarHBondContact O-N 3.41Å; D665-T668 PolarHBondContact O-OG1 2.9Å
666N97Very high97.8Very high105 Ų10550.2 Ų50.256%0.56127%0.267SS*.Hα-helixtrans-80-10.1-178.9-73-45.9000114.3D662 Y664 R672D662-N666 VanDerWaalsContact O-CB 3.27Å; D662-N666 WeakPolarHBondContact O-CB 3.48Å; D662-N666 PolarHBondContact O-N 2.57Å; D662-N666 VanDerWaalsContact O-N 3.14Å; D662-N666 PolarHBondContact O-ND2 2.86Å; Y664-N666 VanDerWaalsContact C-N 3.3Å; Y664-N666 PolarHBondContact O-N 3.18Å; N666-R672 PolarHBondContact O-NH1 2.9Å; N666-R672 PolarHBondContact O-NH2 3.08Å
667S97.6Very high97.8Very high2 Ų253.7 Ų53.71%0.01428%0.283CS..THydrogen-bonded Turntrans-105.725.7-173.854.90000113L581 Y617 W642 M654 G663 Y664 D665L581-S667 WeakPolarHBondContact O-CB 3.2Å; Y617-S667 VanDerWaalsContact CE2-O 3.25Å; Y617-S667 WeakPolarHBondContact CE2-O 3.41Å; Y617-S667 WeakPolarHBondContact OH-CB 3.38Å; Y617-S667 PolarHBondContact OH-O 3.08Å; W642-S667 VanDerWaalsContact CD1-OG 3.22Å; M654-S667 WeakPolarHBondContact CE-OG 3.3Å; G663-S667 VanDerWaalsContact O-CB 3.23Å; G663-S667 WeakPolarHBondContact O-CB 3.28Å; G663-S667 PolarHBondContact O-N 2.68Å; G663-S667 PolarHBondContact O-OG 2.7Å; Y664-S667 WeakPolarHBondContact CA-OG 3.17Å; Y664-S667 PolarHBondContact O-N 2.95Å; Y664-S667 VanDerWaalsContact O-N 3.12Å; Y664-S667 PolarHBondContact O-OG 3.05Å; D665-S667 VanDerWaalsContact C-N 3.33Å; D665-S667 PolarHBondContact O-N 3.41Å
668T98.2Very high97.7Very high12 Ų1256.4 Ų56.47%0.07430%0.302CS..  trans-100.3137.4-179.766.40000113.1S640 K641 Y664 D665 A671 R672S640-T668 WeakPolarHBondContact O-CA 3.03Å; K641-T668 HydrophobicContact CB-CG2 4.28Å; K641-T668 HydrophobicContact CD-CG2 4.42Å; K641-T668 HydrophobicContact CG-CG2 3.85Å; Y664-T668 WeakPolarHBondContact O-CG2 3.45Å; D665-T668 PolarHBondContact O-OG1 2.9Å; T668-A671 WeakPolarHBondContact OG1-CB 3.04Å; T668-R672 PolarHBondContact O-NH1 2.51Å
669V98.4Very high97.7Very high2 Ų252.9 Ų52.91%0.01228%0.276CS..SBendtrans-69.3-41.1171.2176.40000110.2Y617 M621 S640 A671 R672 F676 I700Y617-V669 HydrophobicContact CD2-CG2 3.7Å; Y617-V669 HydrophobicContact CE2-CG2 4.04Å; M621-V669 HydrophobicContact CG-CG2 3.97Å; M621-V669 HydrophobicContact SD-CG2 3.86Å; S640-V669 PolarHBondContact O-N 3.08Å; V669-A671 VanDerWaalsContact C-N 3.35Å; V669-A671 PolarHBondContact O-N 2.83Å; V669-R672 WeakPolarHBondContact O-CA 3.48Å; V669-R672 WeakPolarHBondContact O-CB 3.41Å; V669-R672 PolarHBondContact O-N 2.81Å; V669-F676 HydrophobicContact CG1-CE2 4.48Å; V669-F676 HydrophobicContact CG1-CZ 4.3Å; V669-I700 HydrophobicContact CB-CD1 4.47Å; V669-I700 HydrophobicContact CB-CG1 4.39Å; V669-I700 HydrophobicContact CG1-CD1 4.12Å; V669-I700 HydrophobicContact CG1-CG1 4.07Å
670T98.1Very high97.7Very high21 Ų2152.1 Ų52.113%0.12927%0.272CS..G310 helixtrans-58.2-40-175.853.70000113.3K641 R672 A673 E699 A703K641-T670 WeakPolarHBondContact CE-OG1 3.34Å; T670-R672 PolarHBondContact O-N 3.26Å; T670-R672 VanDerWaalsContact O-N 3.07Å; T670-A673 WeakPolarHBondContact O-CB 3.43Å; T670-A673 PolarHBondContact O-N 2.81Å; T670-A673 VanDerWaalsContact O-N 3.12Å; T670-E699 HydrophobicContact CG2-CB 4.26Å; T670-E699 WeakPolarHBondContact CG2-O 3.48Å; T670-A703 HydrophobicContact CG2-CB 4.01Å
671A97.8Very high97.8Very high69 Ų6951 Ų5157%0.5727%0.266SS*.G310 helixtrans-65-12.8176.100000113.9T668 V669T668-A671 WeakPolarHBondContact OG1-CB 3.04Å; V669-A671 VanDerWaalsContact C-N 3.35Å; V669-A671 PolarHBondContact O-N 2.83Å
672R97.9Very high97.8Very high59 Ų5945.3 Ų45.322%0.22325%0.245CC..G310 helixtrans-1043.3179.9-64166.8172.171.5-0.9112.8N666 T668 V669 T670 K674 N675N666-R672 PolarHBondContact O-NH1 2.9Å; N666-R672 PolarHBondContact O-NH2 3.08Å; T668-R672 PolarHBondContact O-NH1 2.51Å; V669-R672 WeakPolarHBondContact O-CA 3.48Å; V669-R672 WeakPolarHBondContact O-CB 3.41Å; V669-R672 PolarHBondContact O-N 2.81Å; T670-R672 PolarHBondContact O-N 3.26Å; T670-R672 VanDerWaalsContact O-N 3.07Å; R672-K674 VanDerWaalsContact C-N 3.27Å; R672-K674 PolarHBondContact O-N 2.77Å; R672-K674 VanDerWaalsContact O-N 3.14Å; R672-N675 VanDerWaalsContact O-CB 3.29Å; R672-N675 WeakPolarHBondContact O-CB 3.29Å; R672-N675 PolarHBondContact O-N 3.01Å
673A98.3Very high97.9Very high4 Ų439.5 Ų39.53%0.03321%0.214CC..G310 helixtrans-50.1-43.2-175.700000113.4T670 N675 F676 A703 L704 E707 V709T670-A673 WeakPolarHBondContact O-CB 3.43Å; T670-A673 PolarHBondContact O-N 2.81Å; T670-A673 VanDerWaalsContact O-N 3.12Å; A673-N675 PolarHBondContact O-N 3.07Å; A673-F676 WeakPolarHBondContact O-CB 3.26Å; A673-F676 WeakPolarHBondContact O-CD2 3.31Å; A673-F676 PolarHBondContact O-N 3Å; A673-A703 HydrophobicContact CB-CB 3.82Å; A673-A703 WeakPolarHBondContact CB-O 3.43Å; A673-L704 HydrophobicContact CB-CD2 4.07Å; A673-E707 HydrophobicContact CB-CB 4.34Å; A673-E707 HydrophobicContact CB-CG 3.9Å; A673-V709 WeakPolarHBondContact O-CG2 3.21Å
674K98Very high98Very high121 Ų12139 Ų3953%0.52621%0.209SC..G310 helixtrans-55.8-24.3177.776.7-175.3-177.7-175.90114.7R672 F676 H677 E707R672-K674 VanDerWaalsContact C-N 3.27Å; R672-K674 PolarHBondContact O-N 2.77Å; R672-K674 VanDerWaalsContact O-N 3.14Å; K674-F676 PolarHBondContact O-N 3.05Å; K674-H677 PolarHBondContact O-CD2 3.14Å; K674-H677 VanDerWaalsContact O-CD2 3.27Å; K674-E707 HydrophobicContact CB-CB 4.44Å; K674-E707 HydrophobicContact CB-CG 4.06Å; K674-E707 WeakPolarHBondContact CB-OE2 3.5Å
675N97.6Very high98Very high43 Ų4339 Ų3923%0.2321%0.209CC..G310 helixtrans-80-8.6-177.9-70.7-17.7000112.5G624 N626 R672 A673 H677 S678G624-N675 WeakPolarHBondContact O-CB 3.33Å; G624-N675 PolarHBondContact O-ND2 3.18Å; N626-N675 HydrophobicContact CB-CB 4.03Å; R672-N675 VanDerWaalsContact O-CB 3.29Å; R672-N675 WeakPolarHBondContact O-CB 3.29Å; R672-N675 PolarHBondContact O-N 3.01Å; A673-N675 PolarHBondContact O-N 3.07Å; N675-H677 VanDerWaalsContact C-N 3.31Å; N675-H677 PolarHBondContact O-N 3.09Å; N675-S678 PolarHBondContact O-OG 2.02Å
676F98.5Very high98Very high2 Ų235.2 Ų35.21%0.00919%0.189CC..G310 helixtrans-79.9-8.7179.4-75.7-107.5000113.6S620 L623 V669 A673 K674 S678 V679 Y681 L704 V709S620-F676 VanDerWaalsContact O-CZ 3.24Å; S620-F676 WeakPolarHBondContact O-CZ 3.42Å; L623-F676 HydrophobicContact CB-CD1 4.29Å; L623-F676 HydrophobicContact CB-CE1 3.75Å; L623-F676 HydrophobicContact CB-CZ 4.07Å; L623-F676 HydrophobicContact CD1-CE1 4.05Å; V669-F676 HydrophobicContact CG1-CE2 4.48Å; V669-F676 HydrophobicContact CG1-CZ 4.3Å; A673-F676 WeakPolarHBondContact O-CB 3.26Å; A673-F676 WeakPolarHBondContact O-CD2 3.31Å; A673-F676 PolarHBondContact O-N 3Å; K674-F676 PolarHBondContact O-N 3.05Å; F676-S678 PolarHBondContact O-N 3.4Å; F676-V679 HydrophobicContact CB-CG2 4.35Å; F676-V679 HydrophobicContact CD1-CG2 4.1Å; F676-V679 HydrophobicContact CG-CG2 4.47Å; F676-V679 PolarHBondContact O-N 3.23Å; F676-V679 VanDerWaalsContact O-N 3.11Å; F676-Y681 HydrophobicContact CD1-CD1 4.1Å; F676-Y681 HydrophobicContact CD1-CD2 4.22Å; F676-Y681 AromaticContact CD1-CG 3.84Å; F676-Y681 HydrophobicContact CD1-CG 3.84Å; F676-Y681 AromaticContact CE1-CD1 3.98Å; F676-Y681 HydrophobicContact CE1-CD1 3.98Å; F676-Y681 AromaticContact CE1-CD2 3.72Å; F676-Y681 HydrophobicContact CE1-CD2 3.72Å; F676-Y681 HydrophobicContact CE1-CE1 4.14Å; F676-Y681 AromaticContact CE1-CE2 3.87Å; F676-Y681 HydrophobicContact CE1-CE2 3.87Å; F676-Y681 AromaticContact CE1-CG 3.75Å; F676-Y681 HydrophobicContact CE1-CG 3.75Å; F676-L704 HydrophobicContact CB-CD2 3.81Å; F676-L704 HydrophobicContact CD1-CD2 4.32Å; F676-L704 HydrophobicContact CD2-CD2 4.04Å; F676-L704 HydrophobicContact CG-CD2 3.82Å; F676-V709 HydrophobicContact CB-CG1 3.64Å; F676-V709 HydrophobicContact CB-CG2 4.32Å
677H97.9Very high98.1Very high120 Ų12031 Ų3156%0.55617%0.167SC*.G310 helixtrans-55.1-22.6173.7-83.5-68.5000114.2K674 N675 E707 K708 V709K674-H677 PolarHBondContact O-CD2 3.14Å; K674-H677 VanDerWaalsContact O-CD2 3.27Å; N675-H677 VanDerWaalsContact C-N 3.31Å; N675-H677 PolarHBondContact O-N 3.09Å; H677-E707 PolarHBondContact CE1-O 2.88Å; H677-E707 PolarHBondContact NE2-O 3.4Å; H677-K708 PolarHBondContact CE1-O 3.22Å; H677-K708 VanDerWaalsContact CE1-O 3.25Å; H677-V709 WeakPolarHBondContact NE2-CG2 3.28Å
678S94.3Very high98.1Very high67 Ų6731.1 Ų31.147%0.46917%0.168SC..G310 helixtrans-94.3-1.2-177.257.80000114.4N626 N675 F676N626-S678 PolarHBondContact OD1-OG 2.96Å; N675-S678 PolarHBondContact O-OG 2.02Å; F676-S678 PolarHBondContact O-N 3.4Å
679V97.6Very high98.1Very high21 Ų2130.7 Ų30.713%0.12717%0.165CC..SBendtrans-139.6155.5-172.8-62.80000112L623 F630 K631 F676L623-V679 HydrophobicContact CB-CG2 4.25Å; L623-V679 HydrophobicContact CD2-CB 4.26Å; L623-V679 HydrophobicContact CD2-CG1 4.18Å; L623-V679 HydrophobicContact CD2-CG2 4.2Å; F630-V679 WeakPolarHBondContact O-CG1 3.42Å; K631-V679 WeakPolarHBondContact O-CA 3.13Å; F676-V679 HydrophobicContact CB-CG2 4.35Å; F676-V679 HydrophobicContact CD1-CG2 4.1Å; F676-V679 HydrophobicContact CG-CG2 4.47Å; F676-V679 PolarHBondContact O-N 3.23Å; F676-V679 VanDerWaalsContact O-N 3.11Å
680Q98.4Very high98.1Very high88 Ų8831.2 Ų31.241%0.41117%0.168SC..EExtended strand (participates in β ladder)trans-85.9137166.9-60.5172.3-1200109.9K631 C632 G633 F738K631-Q680 PolarHBondContact O-N 3.01Å; K631-Q680 VanDerWaalsContact O-N 3.09Å; C632-Q680 CarbonylContact C-O 3.58Å; C632-Q680 WeakPolarHBondContact CA-O 3.39Å; C632-Q680 HydrophobicContact CB-CB 3.73Å; C632-Q680 VanDerWaalsContact CB-O 3.3Å; C632-Q680 WeakPolarHBondContact CB-O 3.48Å; G633-Q680 PolarHBondContact N-O 3.46Å; Q680-F738 HydrophobicContact CB-CE2 4.36Å; Q680-F738 HydrophobicContact CB-CZ 3.92Å
681Y98.9Very high98Very high2 Ų230.4 Ų30.41%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-131.6130.8-176.6-175.8-124.5000111.5S620 L623 G633 A635 F676 L683 I700 L704 F711 D712S620-Y681 PolarHBondContact OG-OH 3.24Å; L623-Y681 HydrophobicContact CD1-CD2 3.53Å; L623-Y681 HydrophobicContact CD1-CE2 3.98Å; G633-Y681 WeakPolarHBondContact O-CA 3.45Å; A635-Y681 HydrophobicContact CB-CE2 3.78Å; A635-Y681 WeakPolarHBondContact CB-OH 3.47Å; F676-Y681 HydrophobicContact CD1-CD1 4.1Å; F676-Y681 HydrophobicContact CD1-CD2 4.22Å; F676-Y681 AromaticContact CD1-CG 3.84Å; F676-Y681 HydrophobicContact CD1-CG 3.84Å; F676-Y681 AromaticContact CE1-CD1 3.98Å; F676-Y681 HydrophobicContact CE1-CD1 3.98Å; F676-Y681 AromaticContact CE1-CD2 3.72Å; F676-Y681 HydrophobicContact CE1-CD2 3.72Å; F676-Y681 HydrophobicContact CE1-CE1 4.14Å; F676-Y681 AromaticContact CE1-CE2 3.87Å; F676-Y681 HydrophobicContact CE1-CE2 3.87Å; F676-Y681 AromaticContact CE1-CG 3.75Å; F676-Y681 HydrophobicContact CE1-CG 3.75Å; Y681-L683 HydrophobicContact CD1-CB 4.38Å; Y681-L683 HydrophobicContact CE1-CB 3.81Å; Y681-L683 HydrophobicContact CE1-CD1 4.38Å; Y681-L683 HydrophobicContact CE1-CG 4.48Å; Y681-I700 HydrophobicContact CE1-CG2 4.05Å; Y681-L704 HydrophobicContact CD1-CD1 3.86Å; Y681-L704 HydrophobicContact CE1-CD1 3.97Å; Y681-F711 HydrophobicContact CD1-CB 4.21Å; Y681-D712 PolarHBondContact O-N 2.9Å
682L98.9Very high98.1Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-112.3117.1170.2172.764.5000109.6G633 M634 A635 V684 D712 M735 F738G633-L682 PolarHBondContact O-N 2.98Å; M634-L682 WeakPolarHBondContact CA-O 3.19Å; M634-L682 HydrophobicContact CB-CB 4.4Å; M634-L682 HydrophobicContact CG-CB 3.98Å; M634-L682 HydrophobicContact CG-CD2 4.01Å; M634-L682 HydrophobicContact CG-CG 4.49Å; M634-L682 HydrophobicContact SD-CD2 4.3Å; A635-L682 PolarHBondContact N-O 3.49Å; L682-V684 HydrophobicContact CD1-CG2 4.07Å; L682-V684 HydrophobicContact CD2-CG2 4.08Å; L682-V684 HydrophobicContact CG-CG2 3.79Å; L682-D712 WeakPolarHBondContact CA-O 3.48Å; L682-D712 HydrophobicContact CB-CB 4.45Å; L682-D712 HydrophobicContact CD1-CB 3.72Å; L682-M735 HydrophobicContact CD2-CG 4.08Å; L682-F738 HydrophobicContact CB-CD1 4.07Å; L682-F738 HydrophobicContact CB-CD2 3.83Å; L682-F738 HydrophobicContact CB-CE1 4.01Å; L682-F738 HydrophobicContact CB-CE2 3.77Å; L682-F738 HydrophobicContact CB-CG 3.97Å; L682-F738 HydrophobicContact CB-CZ 3.85Å; L682-F738 HydrophobicContact CD2-CB 3.89Å; L682-F738 HydrophobicContact CD2-CD1 4.32Å; L682-F738 HydrophobicContact CD2-CD2 4.35Å; L682-F738 HydrophobicContact CD2-CG 3.93Å
683L98.9Very high98.1Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-102.8119.5176179.359.5000110.5P638 Y681 A697 I700 F711 D712 A713 M714 W715P638-L683 HydrophobicContact CG-CD1 3.51Å; Y681-L683 HydrophobicContact CD1-CB 4.38Å; Y681-L683 HydrophobicContact CE1-CB 3.81Å; Y681-L683 HydrophobicContact CE1-CD1 4.38Å; Y681-L683 HydrophobicContact CE1-CG 4.48Å; L683-A697 HydrophobicContact CD1-CB 4.02Å; L683-A697 HydrophobicContact CD2-CB 4.03Å; L683-A697 HydrophobicContact CG-CB 4.17Å; L683-I700 HydrophobicContact CD1-CD1 4.32Å; L683-I700 HydrophobicContact CD2-CB 4.08Å; L683-I700 HydrophobicContact CD2-CG2 3.93Å; L683-F711 HydrophobicContact CB-CD2 4.45Å; L683-F711 HydrophobicContact CD2-CE2 4.45Å; L683-D712 PolarHBondContact N-O 3.37Å; L683-A713 CarbonylContact O-C 3.52Å; L683-A713 WeakPolarHBondContact O-CA 3.39Å; L683-M714 PolarHBondContact O-N 3.14Å; L683-W715 HydrophobicContact CD2-CH2 3.99Å; L683-W715 HydrophobicContact CD2-CZ3 4.28Å; L683-W715 HydrophobicContact CG-CH2 4.3Å; L683-W715 HydrophobicContact CG-CZ3 4.16Å
684V98.9Very high98.1Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-121.7137.1-178.9-175.20000110.6A635 V636 A637 L682 M714 Y716 L723 V731A635-V684 PolarHBondContact O-N 2.9Å; V636-V684 CarbonylContact C-O 3.49Å; V636-V684 WeakPolarHBondContact CA-O 3.4Å; V636-V684 HydrophobicContact CB-CB 4.41Å; V636-V684 HydrophobicContact CG1-CB 4.22Å; V636-V684 HydrophobicContact CG1-CG1 4.17Å; V636-V684 HydrophobicContact CG2-CB 4.14Å; V636-V684 HydrophobicContact CG2-CG2 4.47Å; A637-V684 PolarHBondContact N-O 3.38Å; L682-V684 HydrophobicContact CD1-CG2 4.07Å; L682-V684 HydrophobicContact CD2-CG2 4.08Å; L682-V684 HydrophobicContact CG-CG2 3.79Å; V684-M714 VanDerWaalsContact CA-O 3.28Å; V684-M714 WeakPolarHBondContact CA-O 3.43Å; V684-M714 HydrophobicContact CG1-CB 4.36Å; V684-M714 HydrophobicContact CG2-CB 4.24Å; V684-Y716 HydrophobicContact CG1-CD2 3.97Å; V684-Y716 HydrophobicContact CG1-CE2 3.56Å; V684-L723 HydrophobicContact CG1-CD1 4.3Å; V684-V731 HydrophobicContact CG1-CG2 3.8Å; V684-V731 HydrophobicContact CG2-CG2 4.48Å
685H98.9Very high98.1Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-154147.2176.1-139.8123.9000113.2A637 D689 V692 F694 A697 M714 W715 Y716A637-H685 VanDerWaalsContact CA-CE1 3.47Å; A637-H685 WeakPolarHBondContact CA-CE1 3.41Å; H685-D689 IonicContact CD2-OD2 2.81Å; H685-D689 IonicContact NE2-OD2 2.73Å; H685-D689 PolarHBondContact NE2-OD2 3.18Å; H685-V692 PolarHBondContact CE1-O 2.92Å; H685-V692 VanDerWaalsContact CE1-O 3.31Å; H685-V692 PolarHBondContact NE2-O 3.24Å; H685-F694 HydrophobicContact CB-CD2 3.83Å; H685-F694 HydrophobicContact CB-CE2 4Å; H685-A697 HydrophobicContact CB-CB 3.86Å; H685-A697 WeakPolarHBondContact ND1-CB 3.36Å; H685-M714 PolarHBondContact N-O 2.86Å; H685-W715 HydrophobicContact CB-CE3 4.1Å; H685-W715 HydrophobicContact CB-CZ3 4.21Å; H685-W715 CarbonylContact O-C 3.45Å; H685-W715 VanDerWaalsContact O-CA 3.31Å; H685-W715 WeakPolarHBondContact O-CA 3.39Å; H685-Y716 PolarHBondContact O-N 3.2Å
686G98.7Very high98.2Very high1 Ų122.3 Ų22.31%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-77.3134.8163.300000111.6A688 K719G686-A688 VanDerWaalsContact C-N 3.28Å; G686-A688 PolarHBondContact O-N 2.91Å; G686-K719 CarbonylContact C-O 3.57Å; G686-K719 VanDerWaalsContact CA-O 3.23Å; G686-K719 WeakPolarHBondContact CA-O 3.32Å
687T98.6Very high98.2Very high18 Ų1822.2 Ų22.211%0.1111%0.114CC..THydrogen-bonded Turntrans-75.9-16.6-178.3560000113.8F694 W715 Y716 T717 D718T687-F694 HydrophobicContact CG2-CD2 4.35Å; T687-F694 HydrophobicContact CG2-CE2 4.21Å; T687-W715 HydrophobicContact CG2-CB 4.02Å; T687-Y716 PolarHBondContact N-O 3.1Å; T687-Y716 PolarHBondContact OG1-O 2.85Å; T687-Y716 VanDerWaalsContact OG1-O 3.1Å; T687-T717 VanDerWaalsContact OG1-CA 3.27Å; T687-T717 WeakPolarHBondContact OG1-CA 3.44Å; T687-D718 PolarHBondContact OG1-N 2.8Å
688A97.9Very high98.3Very high4 Ų418.4 Ų18.43%0.03310%0.103CC..THydrogen-bonded Turntrans-115.232.4178.400000111.6Y238 W240 G686 D690 K719Y238-A688 HydrophobicContact CD2-CB 4.01Å; Y238-A688 HydrophobicContact CE2-CB 3.61Å; W240-A688 HydrophobicContact CE3-CB 4.08Å; W240-A688 HydrophobicContact CZ3-CB 4.08Å; G686-A688 VanDerWaalsContact C-N 3.28Å; G686-A688 PolarHBondContact O-N 2.91Å; A688-D690 PolarHBondContact O-N 3.34Å; A688-D690 VanDerWaalsContact O-N 3.17Å; A688-K719 CarbonylContact C-O 3.54Å; A688-K719 PolarHBondContact N-O 3.24Å; A688-K719 VanDerWaalsContact N-O 3.1Å
689D98.4Very high98.5Very high3 Ų317.3 Ų17.32%0.0169%0.091CC..  trans-69.4106.2175.9-165.7-30.6000110.2H685 N691 V692 H693 K719 H721H685-D689 IonicContact CD2-OD2 2.81Å; H685-D689 IonicContact NE2-OD2 2.73Å; H685-D689 PolarHBondContact NE2-OD2 3.18Å; D689-N691 PolarHBondContact O-N 2.99Å; D689-N691 PolarHBondContact OD1-N 2.91Å; D689-V692 WeakPolarHBondContact CB-O 3.36Å; D689-V692 PolarHBondContact OD1-N 2.86Å; D689-V692 VanDerWaalsContact OD2-O 3.12Å; D689-H693 WeakPolarHBondContact O-CA 3.04Å; D689-H693 PolarHBondContact O-ND1 2.85Å; D689-K719 PolarHBondContact N-O 2.88Å; D689-H721 WeakPolarHBondContact OD1-CB 3.12Å; D689-H721 IonicContact OD1-CG 2.8Å; D689-H721 IonicContact OD1-ND1 2.76Å; D689-H721 PolarHBondContact OD1-ND1 2.77Å; D689-H721 WeakPolarHBondContact OD2-CA 3.48Å; D689-H721 IonicContact OD2-CE1 3.64Å; D689-H721 IonicContact OD2-CG 3.25Å; D689-H721 IonicContact OD2-ND1 3.55Å; D689-H721 PolarHBondContact OD2-ND1 3.48Å
690D96.9Very high98.5Very high12 Ų1216.4 Ų16.46%0.0649%0.085CC..SBendtrans-75.7-10.9179.263.2-74.9000113W124 W201 I252 A688 H693W124-D690 HydrophobicContact CE3-CB 3.77Å; W124-D690 HydrophobicContact CZ3-CB 3.7Å; W201-D690 WeakPolarHBondContact CZ2-O 3.4Å; W201-D690 PolarHBondContact NE1-O 3.2Å; W201-D690 PolarHBondContact NE1-OD2 3.43Å; I252-D690 HydrophobicContact CD1-CB 3.87Å; A688-D690 PolarHBondContact O-N 3.34Å; A688-D690 VanDerWaalsContact O-N 3.17Å; D690-H693 PolarHBondContact O-CE1 3.29Å
691N97.1Very high98.5Very high4 Ų413.6 Ų13.62%0.0218%0.075CC..SBendtrans-108.9-70.1-173.3-172.1-24.1000112.2R125 W201 E205 Y254 Y645 D689 H693 H721R125-N691 PolarHBondContact NH2-ND2 2.94Å; W201-N691 HydrophobicContact CZ2-CB 3.79Å; E205-N691 PolarHBondContact OE1-ND2 2.82Å; Y254-N691 PolarHBondContact OH-O 3.16Å; Y254-N691 VanDerWaalsContact OH-O 3.06Å; Y645-N691 WeakPolarHBondContact CE2-O 3.32Å; Y645-N691 WeakPolarHBondContact CE2-OD1 3.43Å; Y645-N691 PolarHBondContact OH-OD1 2.92Å; D689-N691 PolarHBondContact O-N 2.99Å; D689-N691 PolarHBondContact OD1-N 2.91Å; N691-H693 PolarHBondContact O-N 3.39Å; N691-H721 HydrophobicContact CB-CB 4.29Å
692V98.5Very high98.5Very high0 Ų018.7 Ų18.70%010%0.099CC..SBendtrans-92.587.4169.1-175.60000106.5A637 P638 V639 Y645 H685 D689 F694 Q696 H721A637-V692 WeakPolarHBondContact O-CG1 3.27Å; P638-V692 WeakPolarHBondContact O-CG1 3.48Å; V639-V692 HydrophobicContact CG2-CG1 3.94Å; V639-V692 HydrophobicContact CG2-CG2 4.06Å; Y645-V692 HydrophobicContact CD2-CG2 4.32Å; Y645-V692 HydrophobicContact CE2-CB 4.33Å; Y645-V692 HydrophobicContact CE2-CG2 3.56Å; H685-V692 PolarHBondContact CE1-O 2.92Å; H685-V692 VanDerWaalsContact CE1-O 3.31Å; H685-V692 PolarHBondContact NE2-O 3.24Å; D689-V692 WeakPolarHBondContact CB-O 3.36Å; D689-V692 PolarHBondContact OD1-N 2.86Å; D689-V692 VanDerWaalsContact OD2-O 3.12Å; V692-F694 PolarHBondContact O-N 3.38Å; V692-Q696 HydrophobicContact CG1-CB 4.16Å; V692-Q696 HydrophobicContact CG1-CG 3.83Å; V692-H721 WeakPolarHBondContact CG2-CE1 3.3Å
693H98.7Very high98.5Very high5 Ų519.5 Ų19.52%0.02311%0.106CC..  trans-52144.1-173-56.9-43.6000113.7Y254 D689 D690 N691 Q695 Q696Y254-H693 AromaticContact CD1-NE2 3.5Å; Y254-H693 AromaticContact CD2-CE1 3.52Å; Y254-H693 AromaticContact CD2-NE2 3.36Å; Y254-H693 WeakPolarHBondContact CD2-NE2 3.49Å; Y254-H693 AromaticContact CE1-NE2 3.41Å; Y254-H693 WeakPolarHBondContact CE1-NE2 3.44Å; Y254-H693 AromaticContact CE2-CE1 3.39Å; Y254-H693 WeakPolarHBondContact CE2-CE1 3.47Å; Y254-H693 AromaticContact CE2-NE2 3.22Å; Y254-H693 WeakPolarHBondContact CE2-NE2 3.3Å; Y254-H693 AromaticContact CG-NE2 3.48Å; Y254-H693 AromaticContact CZ-CE1 3.86Å; Y254-H693 AromaticContact CZ-NE2 3.25Å; D689-H693 WeakPolarHBondContact O-CA 3.04Å; D689-H693 PolarHBondContact O-ND1 2.85Å; D690-H693 PolarHBondContact O-CE1 3.29Å; N691-H693 PolarHBondContact O-N 3.39Å; H693-Q695 HydrophobicContact CB-CB 4.21Å; H693-Q695 PolarHBondContact O-N 3.45Å; H693-Q696 WeakPolarHBondContact O-CB 3.44Å; H693-Q696 VanDerWaalsContact O-CG 3.3Å; H693-Q696 WeakPolarHBondContact O-CG 3.45Å; H693-Q696 PolarHBondContact O-N 3.13Å
694F98.8Very high98.5Very high59 Ų5919.5 Ų19.526%0.25911%0.106SC..THydrogen-bonded Turntrans-52.2-25.5175.9-175.5-103.8000113.4H685 T687 V692 Q696 A697 A698 W715H685-F694 HydrophobicContact CB-CD2 3.83Å; H685-F694 HydrophobicContact CB-CE2 4Å; T687-F694 HydrophobicContact CG2-CD2 4.35Å; T687-F694 HydrophobicContact CG2-CE2 4.21Å; V692-F694 PolarHBondContact O-N 3.38Å; F694-Q696 PolarHBondContact O-N 3.29Å; F694-Q696 VanDerWaalsContact O-N 3.09Å; F694-A697 PolarHBondContact O-N 3.32Å; F694-A697 VanDerWaalsContact O-N 3.12Å; F694-A698 HydrophobicContact CD1-CB 4.37Å; F694-A698 HydrophobicContact CE1-CB 4.17Å; F694-A698 PolarHBondContact O-N 3.44Å; F694-W715 AromaticContact CE2-CD2 3.81Å; F694-W715 HydrophobicContact CE2-CD2 3.81Å; F694-W715 AromaticContact CE2-CE3 3.38Å; F694-W715 HydrophobicContact CE2-CE3 3.38Å; F694-W715 HydrophobicContact CE2-CG 4.34Å; F694-W715 HydrophobicContact CE2-CH2 4.49Å; F694-W715 AromaticContact CE2-CZ3 3.75Å; F694-W715 HydrophobicContact CE2-CZ3 3.75Å; F694-W715 AromaticContact CZ-CD2 3.89Å; F694-W715 HydrophobicContact CZ-CD2 3.89Å; F694-W715 AromaticContact CZ-CE3 3.84Å; F694-W715 HydrophobicContact CZ-CE3 3.84Å; F694-W715 HydrophobicContact CZ-CG 4.39Å; F694-W715 HydrophobicContact CZ-CH2 4.39Å; F694-W715 HydrophobicContact CZ-CZ2 4.49Å; F694-W715 HydrophobicContact CZ-CZ3 4.08Å
695Q98.7Very high98.5Very high63 Ų6323.7 Ų23.729%0.29413%0.131SC..Hα-helixtrans-43.1-41.5168.1-177.2-176.117.200112.4Y644 H693 A698 E699Y644-Q695 HydrophobicContact CD2-CG 4.18Å; Y644-Q695 HydrophobicContact CE2-CG 4.37Å; Y644-Q695 HydrophobicContact CG-CG 4.49Å; H693-Q695 HydrophobicContact CB-CB 4.21Å; H693-Q695 PolarHBondContact O-N 3.45Å; Q695-A698 PolarHBondContact O-N 2.98Å; Q695-E699 HydrophobicContact CG-CG 4.25Å; Q695-E699 WeakPolarHBondContact O-CB 3.26Å; Q695-E699 WeakPolarHBondContact O-CG 3.18Å; Q695-E699 PolarHBondContact O-N 3.08Å
696Q98.8Very high98.5Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-61.4-48.4-177.2-61.6-8219.300111.7P638 S640 K641 Y644 V692 H693 F694 I700P638-Q696 WeakPolarHBondContact O-CB 3.31Å; S640-Q696 VanDerWaalsContact CB-O 3.29Å; S640-Q696 WeakPolarHBondContact CB-O 3.4Å; S640-Q696 PolarHBondContact OG-O 2.89Å; S640-Q696 PolarHBondContact OG-OE1 2.92Å; K641-Q696 PolarHBondContact O-NE2 2.85Å; K641-Q696 VanDerWaalsContact O-NE2 3.09Å; K641-Q696 PolarHBondContact O-OE1 2.65Å; Y644-Q696 VanDerWaalsContact CB-NE2 3.26Å; V692-Q696 HydrophobicContact CG1-CB 4.16Å; V692-Q696 HydrophobicContact CG1-CG 3.83Å; H693-Q696 WeakPolarHBondContact O-CB 3.44Å; H693-Q696 VanDerWaalsContact O-CG 3.3Å; H693-Q696 WeakPolarHBondContact O-CG 3.45Å; H693-Q696 PolarHBondContact O-N 3.13Å; F694-Q696 PolarHBondContact O-N 3.29Å; F694-Q696 VanDerWaalsContact O-N 3.09Å; Q696-I700 WeakPolarHBondContact O-CG1 3.38Å; Q696-I700 PolarHBondContact O-N 2.92Å
697A98.8Very high98.5Very high0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-72.6-36.3176.700000113L683 H685 F694 E699 I700 S701 W715L683-A697 HydrophobicContact CD1-CB 4.02Å; L683-A697 HydrophobicContact CD2-CB 4.03Å; L683-A697 HydrophobicContact CG-CB 4.17Å; H685-A697 HydrophobicContact CB-CB 3.86Å; H685-A697 WeakPolarHBondContact ND1-CB 3.36Å; F694-A697 PolarHBondContact O-N 3.32Å; F694-A697 VanDerWaalsContact O-N 3.12Å; A697-E699 VanDerWaalsContact C-N 3.25Å; A697-E699 PolarHBondContact O-N 2.87Å; A697-I700 PolarHBondContact O-N 2.9Å; A697-S701 WeakPolarHBondContact O-CB 3.33Å; A697-S701 PolarHBondContact O-N 2.96Å; A697-W715 HydrophobicContact CB-CH2 4.46Å; A697-W715 HydrophobicContact CB-CZ3 3.92Å
698A98.8Very high98.5Very high39 Ų3941 Ų4132%0.32221%0.211SC..Hα-helixtrans-56.9-41.8173.700000111.5F694 Q695 S701 E702F694-A698 HydrophobicContact CD1-CB 4.37Å; F694-A698 HydrophobicContact CE1-CB 4.17Å; F694-A698 PolarHBondContact O-N 3.44Å; Q695-A698 PolarHBondContact O-N 2.98Å; A698-S701 WeakPolarHBondContact O-CB 3.48Å; A698-S701 PolarHBondContact O-N 2.82Å; A698-E702 PolarHBondContact O-N 3.22Å
699E98.7Very high98.5Very high44 Ų4441.3 Ų41.321%0.20621%0.212CC..Hα-helixtrans-73.4-32.5179.1-67.6-97.7150.900113.1K641 Y644 T670 Q695 A697 A703K641-E699 IonicContact NZ-OE2 3.61Å; K641-E699 PolarHBondContact NZ-OE2 2.81Å; Y644-E699 HydrophobicContact CD2-CG 4.39Å; Y644-E699 HydrophobicContact CE2-CB 4.17Å; Y644-E699 HydrophobicContact CE2-CG 3.57Å; Y644-E699 WeakPolarHBondContact CE2-OE2 3.14Å; Y644-E699 VanDerWaalsContact OH-CD 3.32Å; Y644-E699 PolarHBondContact OH-OE2 2.81Å; T670-E699 HydrophobicContact CG2-CB 4.26Å; T670-E699 WeakPolarHBondContact CG2-O 3.48Å; Q695-E699 HydrophobicContact CG-CG 4.25Å; Q695-E699 WeakPolarHBondContact O-CB 3.26Å; Q695-E699 WeakPolarHBondContact O-CG 3.18Å; Q695-E699 PolarHBondContact O-N 3.08Å; A697-E699 VanDerWaalsContact C-N 3.25Å; A697-E699 PolarHBondContact O-N 2.87Å; E699-A703 WeakPolarHBondContact O-CB 3.49Å; E699-A703 PolarHBondContact O-N 2.89Å; E699-A703 VanDerWaalsContact O-N 3.07Å
700I98.9Very high98.5Very high2 Ų248.1 Ų48.11%0.0125%0.249CC..Hα-helixtrans-63.5-49.3169.7-67.4169.4000109.6P638 S640 V669 Y681 L683 Q696 A697 E702 A703 L704P638-I700 HydrophobicContact CB-CD1 4.27Å; P638-I700 HydrophobicContact CG-CD1 3.71Å; S640-I700 VanDerWaalsContact CB-CD1 3.48Å; V669-I700 HydrophobicContact CB-CD1 4.47Å; V669-I700 HydrophobicContact CB-CG1 4.39Å; V669-I700 HydrophobicContact CG1-CD1 4.12Å; V669-I700 HydrophobicContact CG1-CG1 4.07Å; Y681-I700 HydrophobicContact CE1-CG2 4.05Å; L683-I700 HydrophobicContact CD1-CD1 4.32Å; L683-I700 HydrophobicContact CD2-CB 4.08Å; L683-I700 HydrophobicContact CD2-CG2 3.93Å; Q696-I700 WeakPolarHBondContact O-CG1 3.38Å; Q696-I700 PolarHBondContact O-N 2.92Å; A697-I700 PolarHBondContact O-N 2.9Å; I700-E702 PolarHBondContact O-N 2.9Å; I700-A703 PolarHBondContact O-N 2.84Å; I700-L704 HydrophobicContact CG2-CD1 3.7Å; I700-L704 HydrophobicContact CG2-CG 4.18Å; I700-L704 VanDerWaalsContact O-CG 3.31Å; I700-L704 WeakPolarHBondContact O-CG 3.46Å; I700-L704 PolarHBondContact O-N 3.46Å
701S98.8Very high98.6Very high29 Ų2949.4 Ų49.420%0.20325%0.254CS..Hα-helixtrans-55.4-50178.71750000111.3A697 A698 A703 L704 V705 F711A697-S701 WeakPolarHBondContact O-CB 3.33Å; A697-S701 PolarHBondContact O-N 2.96Å; A698-S701 WeakPolarHBondContact O-CB 3.48Å; A698-S701 PolarHBondContact O-N 2.82Å; S701-A703 PolarHBondContact O-N 2.79Å; S701-L704 PolarHBondContact O-N 3.17Å; S701-V705 VanDerWaalsContact O-CG2 3.32Å; S701-V705 WeakPolarHBondContact O-CG2 3.34Å; S701-V705 PolarHBondContact O-N 3.15Å; S701-F711 WeakPolarHBondContact OG-CZ 3.34Å
702E98.8Very high98.7Very high110 Ų11053.4 Ų53.451%0.51428%0.275SS..Hα-helixtrans-58.7-45.8176.6-179.5176.1-166.900112.2A698 I700 L704 V705 N706A698-E702 PolarHBondContact O-N 3.22Å; I700-E702 PolarHBondContact O-N 2.9Å; E702-L704 PolarHBondContact O-N 3.47Å; E702-V705 PolarHBondContact O-N 3.22Å; E702-N706 WeakPolarHBondContact O-CB 3.47Å; E702-N706 VanDerWaalsContact O-CG 3.27Å; E702-N706 PolarHBondContact O-N 2.95Å; E702-N706 PolarHBondContact O-ND2 2.85Å
703A98.8Very high98.7Very high16 Ų1655.4 Ų55.413%0.13229%0.292CS..Hα-helixtrans-62.7-41.617900000112.4T670 A673 E699 I700 S701 N706 E707T670-A703 HydrophobicContact CG2-CB 4.01Å; A673-A703 HydrophobicContact CB-CB 3.82Å; A673-A703 WeakPolarHBondContact CB-O 3.43Å; E699-A703 WeakPolarHBondContact O-CB 3.49Å; E699-A703 PolarHBondContact O-N 2.89Å; E699-A703 VanDerWaalsContact O-N 3.07Å; I700-A703 PolarHBondContact O-N 2.84Å; S701-A703 PolarHBondContact O-N 2.79Å; A703-N706 PolarHBondContact O-N 2.9Å; A703-E707 WeakPolarHBondContact O-CG 3.33Å; A703-E707 PolarHBondContact O-N 2.88Å; A703-E707 VanDerWaalsContact O-N 3.13Å
704L98.9Very high98.7Very high1 Ų157.5 Ų57.51%0.00530%0.302CS..Hα-helixtrans-64.5-44.3176.3-68.4170.7000111.5A673 F676 Y681 I700 S701 E702 N706 E707 K708 V709 F711A673-L704 HydrophobicContact CB-CD2 4.07Å; F676-L704 HydrophobicContact CB-CD2 3.81Å; F676-L704 HydrophobicContact CD1-CD2 4.32Å; F676-L704 HydrophobicContact CD2-CD2 4.04Å; F676-L704 HydrophobicContact CG-CD2 3.82Å; Y681-L704 HydrophobicContact CD1-CD1 3.86Å; Y681-L704 HydrophobicContact CE1-CD1 3.97Å; I700-L704 HydrophobicContact CG2-CD1 3.7Å; I700-L704 HydrophobicContact CG2-CG 4.18Å; I700-L704 VanDerWaalsContact O-CG 3.31Å; I700-L704 WeakPolarHBondContact O-CG 3.46Å; I700-L704 PolarHBondContact O-N 3.46Å; S701-L704 PolarHBondContact O-N 3.17Å; E702-L704 PolarHBondContact O-N 3.47Å; L704-N706 PolarHBondContact O-N 2.78Å; L704-E707 CarbonylContact O-C 3.58Å; L704-E707 PolarHBondContact O-N 2.97Å; L704-K708 PolarHBondContact O-N 3.14Å; L704-V709 HydrophobicContact CB-CB 4.26Å; L704-V709 HydrophobicContact CD2-CB 3.96Å; L704-V709 HydrophobicContact CD2-CG1 3.87Å; L704-V709 HydrophobicContact CD2-CG2 4.37Å; L704-V709 PolarHBondContact O-N 3.31Å; L704-F711 HydrophobicContact CB-CD1 3.87Å; L704-F711 HydrophobicContact CB-CE1 3.84Å; L704-F711 HydrophobicContact CD1-CB 4.21Å; L704-F711 HydrophobicContact CD1-CD1 3.8Å; L704-F711 HydrophobicContact CD1-CD2 4.07Å; L704-F711 HydrophobicContact CD1-CE1 4.17Å; L704-F711 HydrophobicContact CD1-CE2 4.4Å; L704-F711 HydrophobicContact CD1-CG 3.76Å; L704-F711 HydrophobicContact CD1-CZ 4.46Å; L704-F711 HydrophobicContact CG-CD1 4.47Å
705V98.8Very high98.7Very high87 Ų8759.2 Ų59.253%0.52731%0.307SS..Hα-helixtrans-61.2-44.4176.7170.10000111.3S701 E702 E707 K708 F711S701-V705 VanDerWaalsContact O-CG2 3.32Å; S701-V705 WeakPolarHBondContact O-CG2 3.34Å; S701-V705 PolarHBondContact O-N 3.15Å; E702-V705 PolarHBondContact O-N 3.22Å; V705-E707 VanDerWaalsContact C-N 3.25Å; V705-E707 PolarHBondContact O-N 2.71Å; V705-K708 WeakPolarHBondContact O-CA 3.09Å; V705-K708 PolarHBondContact O-N 2.8Å; V705-F711 HydrophobicContact CG2-CE1 4.13Å
706N98.8Very high98.7Very high111 Ų11157.1 Ų57.159%0.59430%0.297SS*.Hα-helixtrans-61.6-35177.9-75.3-26.3000112.3E702 A703 L704 K708E702-N706 WeakPolarHBondContact O-CB 3.47Å; E702-N706 VanDerWaalsContact O-CG 3.27Å; E702-N706 PolarHBondContact O-N 2.95Å; E702-N706 PolarHBondContact O-ND2 2.85Å; A703-N706 PolarHBondContact O-N 2.9Å; L704-N706 PolarHBondContact O-N 2.78Å; N706-K708 VanDerWaalsContact C-N 3.28Å
707E98.6Very high98.6Very high91 Ų9161.3 Ų61.343%0.42532%0.323SS..THydrogen-bonded Turntrans-85.32.3174.7-67.2-65.116100113.6A673 K674 H677 A703 L704 V705 V709A673-E707 HydrophobicContact CB-CB 4.34Å; A673-E707 HydrophobicContact CB-CG 3.9Å; K674-E707 HydrophobicContact CB-CB 4.44Å; K674-E707 HydrophobicContact CB-CG 4.06Å; K674-E707 WeakPolarHBondContact CB-OE2 3.5Å; H677-E707 PolarHBondContact CE1-O 2.88Å; H677-E707 PolarHBondContact NE2-O 3.4Å; A703-E707 WeakPolarHBondContact O-CG 3.33Å; A703-E707 PolarHBondContact O-N 2.88Å; A703-E707 VanDerWaalsContact O-N 3.13Å; L704-E707 CarbonylContact O-C 3.58Å; L704-E707 PolarHBondContact O-N 2.97Å; V705-E707 VanDerWaalsContact C-N 3.25Å; V705-E707 PolarHBondContact O-N 2.71Å; E707-V709 HydrophobicContact CB-CG2 4.12Å; E707-V709 PolarHBondContact O-N 3.49Å
708K98.6Very high98.5Very high182 Ų18262.8 Ų62.879%0.79133%0.33SS*.THydrogen-bonded Turntrans58.332.5-179.4-53169.8-175.4171.40113.2H677 L704 V705 N706H677-K708 PolarHBondContact CE1-O 3.22Å; H677-K708 VanDerWaalsContact CE1-O 3.25Å; L704-K708 PolarHBondContact O-N 3.14Å; V705-K708 WeakPolarHBondContact O-CA 3.09Å; V705-K708 PolarHBondContact O-N 2.8Å; N706-K708 VanDerWaalsContact C-N 3.28Å
709V98.6Very high98.5Very high9 Ų964.2 Ų64.26%0.05533%0.329CS..  trans-83.8133.5175.4175.10000109.3A673 F676 H677 L704 E707A673-V709 WeakPolarHBondContact O-CG2 3.21Å; F676-V709 HydrophobicContact CB-CG1 3.64Å; F676-V709 HydrophobicContact CB-CG2 4.32Å; H677-V709 WeakPolarHBondContact NE2-CG2 3.28Å; L704-V709 HydrophobicContact CB-CB 4.26Å; L704-V709 HydrophobicContact CD2-CB 3.96Å; L704-V709 HydrophobicContact CD2-CG1 3.87Å; L704-V709 HydrophobicContact CD2-CG2 4.37Å; L704-V709 PolarHBondContact O-N 3.31Å; E707-V709 HydrophobicContact CB-CG2 4.12Å; E707-V709 PolarHBondContact O-N 3.49Å
710D98.1Very high98.4Very high147 Ų14763.8 Ų63.879%0.78633%0.328SS*.  trans-82.2140.7171.3-164.823.6000110.7
711F98.6Very high98.3Very high39 Ų3965 Ų6517%0.17133%0.334CS..  trans-158.3152.1-179.367.4-77.4000111.1Y681 L683 S701 L704 V705 A713Y681-F711 HydrophobicContact CD1-CB 4.21Å; L683-F711 HydrophobicContact CB-CD2 4.45Å; L683-F711 HydrophobicContact CD2-CE2 4.45Å; S701-F711 WeakPolarHBondContact OG-CZ 3.34Å; L704-F711 HydrophobicContact CB-CD1 3.87Å; L704-F711 HydrophobicContact CB-CE1 3.84Å; L704-F711 HydrophobicContact CD1-CB 4.21Å; L704-F711 HydrophobicContact CD1-CD1 3.8Å; L704-F711 HydrophobicContact CD1-CD2 4.07Å; L704-F711 HydrophobicContact CD1-CE1 4.17Å; L704-F711 HydrophobicContact CD1-CE2 4.4Å; L704-F711 HydrophobicContact CD1-CG 3.76Å; L704-F711 HydrophobicContact CD1-CZ 4.46Å; L704-F711 HydrophobicContact CG-CD1 4.47Å; V705-F711 HydrophobicContact CG2-CE1 4.13Å; F711-A713 HydrophobicContact CD2-CB 4.27Å; F711-A713 HydrophobicContact CE2-CB 3.95Å
712D98.6Very high98.1Very high87 Ų8765 Ų6547%0.46534%0.338SS..EExtended strand (participates in β ladder)trans-87.9143.5170.6-71.6-43.8000110Y681 L682 L683 F738Y681-D712 PolarHBondContact O-N 2.9Å; L682-D712 WeakPolarHBondContact CA-O 3.48Å; L682-D712 HydrophobicContact CB-CB 4.45Å; L682-D712 HydrophobicContact CD1-CB 3.72Å; L683-D712 PolarHBondContact N-O 3.37Å; D712-F738 HydrophobicContact CB-CE2 4.43Å; D712-F738 WeakPolarHBondContact OD2-CD2 3.29Å; D712-F738 WeakPolarHBondContact OD2-CE2 3.32Å
713A98.6Very high98Very high42 Ų4259.8 Ų59.835%0.34731%0.314SS..EExtended strand (participates in β ladder)trans-135.8147.4175.200000112.5L683 F711 W715L683-A713 CarbonylContact O-C 3.52Å; L683-A713 WeakPolarHBondContact O-CA 3.39Å; F711-A713 HydrophobicContact CD2-CB 4.27Å; F711-A713 HydrophobicContact CE2-CB 3.95Å; A713-W715 HydrophobicContact CB-CH2 3.96Å; A713-W715 HydrophobicContact CB-CZ2 3.71Å
714M98.7Very high97.7Very high49 Ų4963 Ų6324%0.24133%0.329CS..EExtended strand (participates in β ladder)trans-139.7119.9173.4179.657.961.200110.8L683 V684 H685 Y716L683-M714 PolarHBondContact O-N 3.14Å; V684-M714 VanDerWaalsContact CA-O 3.28Å; V684-M714 WeakPolarHBondContact CA-O 3.43Å; V684-M714 HydrophobicContact CG1-CB 4.36Å; V684-M714 HydrophobicContact CG2-CB 4.24Å; H685-M714 PolarHBondContact N-O 2.86Å; M714-Y716 HydrophobicContact CG-CD2 4.3Å; M714-Y716 HydrophobicContact CG-CE2 3.62Å
715W98.5Very high97.4Very high96 Ų9665.5 Ų65.536%0.36436%0.355SS..EExtended strand (participates in β ladder)trans-106.5137.4176.3-35.8119.8000110.2L683 H685 T687 F694 A697 A713L683-W715 HydrophobicContact CD2-CH2 3.99Å; L683-W715 HydrophobicContact CD2-CZ3 4.28Å; L683-W715 HydrophobicContact CG-CH2 4.3Å; L683-W715 HydrophobicContact CG-CZ3 4.16Å; H685-W715 HydrophobicContact CB-CE3 4.1Å; H685-W715 HydrophobicContact CB-CZ3 4.21Å; H685-W715 CarbonylContact O-C 3.45Å; H685-W715 VanDerWaalsContact O-CA 3.31Å; H685-W715 WeakPolarHBondContact O-CA 3.39Å; T687-W715 HydrophobicContact CG2-CB 4.02Å; F694-W715 AromaticContact CE2-CD2 3.81Å; F694-W715 HydrophobicContact CE2-CD2 3.81Å; F694-W715 AromaticContact CE2-CE3 3.38Å; F694-W715 HydrophobicContact CE2-CE3 3.38Å; F694-W715 HydrophobicContact CE2-CG 4.34Å; F694-W715 HydrophobicContact CE2-CH2 4.49Å; F694-W715 AromaticContact CE2-CZ3 3.75Å; F694-W715 HydrophobicContact CE2-CZ3 3.75Å; F694-W715 AromaticContact CZ-CD2 3.89Å; F694-W715 HydrophobicContact CZ-CD2 3.89Å; F694-W715 AromaticContact CZ-CE3 3.84Å; F694-W715 HydrophobicContact CZ-CE3 3.84Å; F694-W715 HydrophobicContact CZ-CG 4.39Å; F694-W715 HydrophobicContact CZ-CH2 4.39Å; F694-W715 HydrophobicContact CZ-CZ2 4.49Å; F694-W715 HydrophobicContact CZ-CZ3 4.08Å; A697-W715 HydrophobicContact CB-CH2 4.46Å; A697-W715 HydrophobicContact CB-CZ3 3.92Å; A713-W715 HydrophobicContact CB-CH2 3.96Å; A713-W715 HydrophobicContact CB-CZ2 3.71Å
716Y98.6Very high97.3Very high19 Ų1969.7 Ų69.78%0.07537%0.367CS..EExtended strand (participates in β ladder)trans-106.4109.6173.4-69.3-85000110.2V684 H685 T687 M714 D718 K719 L723 A727 H730 V731V684-Y716 HydrophobicContact CG1-CD2 3.97Å; V684-Y716 HydrophobicContact CG1-CE2 3.56Å; H685-Y716 PolarHBondContact O-N 3.2Å; T687-Y716 PolarHBondContact N-O 3.1Å; T687-Y716 PolarHBondContact OG1-O 2.85Å; T687-Y716 VanDerWaalsContact OG1-O 3.1Å; M714-Y716 HydrophobicContact CG-CD2 4.3Å; M714-Y716 HydrophobicContact CG-CE2 3.62Å; Y716-D718 PolarHBondContact O-N 3.19Å; Y716-K719 PolarHBondContact O-N 2.62Å; Y716-L723 HydrophobicContact CD2-CD1 3.83Å; Y716-L723 HydrophobicContact CD2-CD2 3.89Å; Y716-L723 HydrophobicContact CD2-CG 4.47Å; Y716-L723 HydrophobicContact CE2-CD1 4.03Å; Y716-L723 HydrophobicContact CG-CD2 4.03Å; Y716-A727 HydrophobicContact CD1-CB 3.48Å; Y716-A727 VanDerWaalsContact CD1-CB 3.48Å; Y716-A727 HydrophobicContact CE1-CB 3.84Å; Y716-A727 HydrophobicContact CG-CB 4.13Å; Y716-H730 HydrophobicContact CE1-CB 4.12Å; Y716-H730 AromaticContact CE1-ND1 3.7Å; Y716-H730 AromaticContact CZ-ND1 3.63Å; Y716-H730 PolarHBondContact OH-ND1 2.83Å; Y716-V731 HydrophobicContact CE2-CB 3.94Å; Y716-V731 HydrophobicContact CE2-CG2 4.2Å; Y716-V731 WeakPolarHBondContact OH-CA 3.17Å; Y716-V731 VanDerWaalsContact OH-CB 3.25Å; Y716-V731 WeakPolarHBondContact OH-CB 3.22Å; Y716-V731 PolarHBondContact OH-N 3.09Å
717T97.8Very high97.2Very high88 Ų8864.9 Ų64.954%0.5434%0.343SS..THydrogen-bonded Turntrans-57.6129.1179.2-50.20000110.9Y241 T687 K719Y241-T717 HydrophobicContact CD2-CG2 3.59Å; Y241-T717 HydrophobicContact CE2-CG2 4.37Å; Y241-T717 HydrophobicContact CG-CG2 3.96Å; T687-T717 VanDerWaalsContact OG1-CA 3.27Å; T687-T717 WeakPolarHBondContact OG1-CA 3.44Å; T717-K719 PolarHBondContact O-N 3.43Å
718D97.2Very high97.2Very high31 Ų3162.6 Ų62.617%0.16633%0.333CS..THydrogen-bonded Turntrans5619.4176.4-60.1-23.8000115.2W240 Y241 G242 T687 Y716W240-D718 HydrophobicContact CD2-CB 4.32Å; W240-D718 HydrophobicContact CE3-CB 3.94Å; W240-D718 HydrophobicContact CH2-CB 3.88Å; W240-D718 HydrophobicContact CZ2-CB 4.25Å; W240-D718 HydrophobicContact CZ3-CB 3.71Å; W240-D718 WeakPolarHBondContact CZ3-O 3.27Å; Y241-D718 WeakPolarHBondContact CD2-OD1 3.39Å; Y241-D718 PolarHBondContact N-OD1 2.63Å; Y241-D718 PolarHBondContact N-OD2 3.27Å; G242-D718 PolarHBondContact N-OD2 3.43Å; T687-D718 PolarHBondContact OG1-N 2.8Å; Y716-D718 PolarHBondContact O-N 3.19Å
719K97.7Very high97.1Very high69 Ų6956.4 Ų56.430%0.331%0.308SS..  trans-93.9138173.8-65.6-60.1178.8174.90111.6G686 A688 D689 Y716 T717 L723 D724 A727G686-K719 CarbonylContact C-O 3.57Å; G686-K719 VanDerWaalsContact CA-O 3.23Å; G686-K719 WeakPolarHBondContact CA-O 3.32Å; A688-K719 CarbonylContact C-O 3.54Å; A688-K719 PolarHBondContact N-O 3.24Å; A688-K719 VanDerWaalsContact N-O 3.1Å; D689-K719 PolarHBondContact N-O 2.88Å; Y716-K719 PolarHBondContact O-N 2.62Å; T717-K719 PolarHBondContact O-N 3.43Å; K719-L723 HydrophobicContact CB-CD2 3.62Å; K719-L723 HydrophobicContact CG-CD2 4.47Å; K719-D724 PolarHBondContact NZ-O 3.35Å; K719-A727 HydrophobicContact CD-CB 4.07Å; K719-A727 HydrophobicContact CG-CB 3.83Å
720D95.8Very high97.1Very high35 Ų3560 Ų6019%0.18732%0.324CS..  trans-77.4-171.6173.970.79.7000111.8K122 G722 L723K122-D720 IonicContact NZ-OD2 3.4Å; K122-D720 PolarHBondContact NZ-OD2 3.47Å; D720-G722 PolarHBondContact O-N 2.98Å; D720-G722 PolarHBondContact OD1-N 3.1Å; D720-L723 PolarHBondContact O-N 2.98Å; D720-L723 PolarHBondContact OD1-N 3.28Å
721H97.3Very high97.1Very high27 Ų2753 Ų5313%0.12529%0.286CS..THydrogen-bonded Turntrans-57.6-28.1-179.4-160.560.9000115.1W612 S613 D689 N691 V692W612-H721 AromaticContact CD1-NE2 3.9Å; W612-H721 VanDerWaalsContact CZ2-O 3.23Å; W612-H721 WeakPolarHBondContact CZ2-O 3.35Å; W612-H721 AromaticContact NE1-NE2 3.98Å; W612-H721 PolarHBondContact NE1-O 2.95Å; S613-H721 VanDerWaalsContact CB-NE2 3.26Å; S613-H721 WeakPolarHBondContact CB-NE2 3.5Å; S613-H721 PolarHBondContact OG-NE2 2.92Å; D689-H721 WeakPolarHBondContact OD1-CB 3.12Å; D689-H721 IonicContact OD1-CG 2.8Å; D689-H721 IonicContact OD1-ND1 2.76Å; D689-H721 PolarHBondContact OD1-ND1 2.77Å; D689-H721 WeakPolarHBondContact OD2-CA 3.48Å; D689-H721 IonicContact OD2-CE1 3.64Å; D689-H721 IonicContact OD2-CG 3.25Å; D689-H721 IonicContact OD2-ND1 3.55Å; D689-H721 PolarHBondContact OD2-ND1 3.48Å; N691-H721 HydrophobicContact CB-CB 4.29Å; V692-H721 WeakPolarHBondContact CG2-CE1 3.3Å
722G95.4Very high97.1Very high28 Ų2853.2 Ų53.229%0.28929%0.286SS..THydrogen-bonded Turntrans-86.6-16.3-176.100000114D720 D724D720-G722 PolarHBondContact O-N 2.98Å; D720-G722 PolarHBondContact OD1-N 3.1Å; G722-D724 PolarHBondContact O-N 2.8Å
723L97.1Very high97.1Very high2 Ų252.2 Ų52.21%0.0128%0.28CS..  trans52.838.9-173.1-57.1-179.7000112.4W612 V636 V684 Y716 K719 D720 A727 N728 V731W612-L723 HydrophobicContact CH2-CB 3.99Å; W612-L723 HydrophobicContact CH2-CD1 3.76Å; W612-L723 HydrophobicContact CH2-CG 3.98Å; W612-L723 HydrophobicContact CZ2-CB 4.07Å; W612-L723 HydrophobicContact CZ2-CD1 3.75Å; W612-L723 HydrophobicContact CZ2-CG 3.7Å; V636-L723 HydrophobicContact CG1-CD1 3.9Å; V684-L723 HydrophobicContact CG1-CD1 4.3Å; Y716-L723 HydrophobicContact CD2-CD1 3.83Å; Y716-L723 HydrophobicContact CD2-CD2 3.89Å; Y716-L723 HydrophobicContact CD2-CG 4.47Å; Y716-L723 HydrophobicContact CE2-CD1 4.03Å; Y716-L723 HydrophobicContact CG-CD2 4.03Å; K719-L723 HydrophobicContact CB-CD2 3.62Å; K719-L723 HydrophobicContact CG-CD2 4.47Å; D720-L723 PolarHBondContact O-N 2.98Å; D720-L723 PolarHBondContact OD1-N 3.28Å; L723-A727 HydrophobicContact CB-CB 4.28Å; L723-A727 CarbonylContact O-C 3.51Å; L723-A727 WeakPolarHBondContact O-CB 3.41Å; L723-N728 VanDerWaalsContact O-CA 3.27Å; L723-N728 WeakPolarHBondContact O-CA 3.33Å; L723-N728 VanDerWaalsContact O-CB 3.23Å; L723-N728 WeakPolarHBondContact O-CB 3.42Å; L723-N728 PolarHBondContact O-N 3.36Å; L723-V731 HydrophobicContact CD1-CB 4.3Å; L723-V731 HydrophobicContact CD1-CG1 4.18Å; L723-V731 HydrophobicContact CD1-CG2 4.29Å
724D91.4Very high97.1Very high82 Ų8252.4 Ų52.444%0.43927%0.274SS..THydrogen-bonded Turntrans-57.8154.9-170.4-72.8-34.6000114.6K122 K719 G722K122-D724 IonicContact NZ-OD2 3.87Å; K122-D724 PolarHBondContact NZ-OD2 2.84Å; K719-D724 PolarHBondContact NZ-O 3.35Å; G722-D724 PolarHBondContact O-N 2.8Å
725G93.3Very high97.1Very high55 Ų5550.1 Ų50.157%0.56726%0.262SS*.THydrogen-bonded Turntrans79.3-140.3178.300000113.4A727 N728 M729G725-A727 PolarHBondContact O-N 3.09Å; G725-N728 WeakPolarHBondContact O-CB 3.27Å; G725-N728 PolarHBondContact O-N 2.72Å; G725-N728 VanDerWaalsContact O-N 3.13Å; G725-M729 PolarHBondContact O-N 2.79Å
726F95.9Very high97.2Very high175 Ų17546 Ų4677%0.76825%0.249SC*.Hα-helixtrans-64.5-24.1-178.1-66-63.9000113.9N728 M729 H730F726-N728 VanDerWaalsContact C-N 3.32Å; F726-M729 HydrophobicContact CD1-CE 4.02Å; F726-M729 PolarHBondContact O-N 3.44Å; F726-H730 WeakPolarHBondContact O-CB 3.3Å; F726-H730 PolarHBondContact O-N 2.68Å
727A97.6Very high97.1Very high10 Ų1051.5 Ų51.58%0.08327%0.273CS..Hα-helixtrans-62.2-41173.700000111.3Y716 K719 L723 G725 M729 H730 V731Y716-A727 HydrophobicContact CD1-CB 3.48Å; Y716-A727 VanDerWaalsContact CD1-CB 3.48Å; Y716-A727 HydrophobicContact CE1-CB 3.84Å; Y716-A727 HydrophobicContact CG-CB 4.13Å; K719-A727 HydrophobicContact CD-CB 4.07Å; K719-A727 HydrophobicContact CG-CB 3.83Å; L723-A727 HydrophobicContact CB-CB 4.28Å; L723-A727 CarbonylContact O-C 3.51Å; L723-A727 WeakPolarHBondContact O-CB 3.41Å; G725-A727 PolarHBondContact O-N 3.09Å; A727-M729 PolarHBondContact O-N 2.89Å; A727-H730 PolarHBondContact O-N 3.29Å; A727-V731 PolarHBondContact O-N 3.13Å
728N97.1Very high97.2Very high42 Ų4247.9 Ų47.923%0.22525%0.25CS..Hα-helixtrans-61.4-46.4177.3-170.6-94.5000110.7L723 G725 F726 V731 Y732L723-N728 VanDerWaalsContact O-CA 3.27Å; L723-N728 WeakPolarHBondContact O-CA 3.33Å; L723-N728 VanDerWaalsContact O-CB 3.23Å; L723-N728 WeakPolarHBondContact O-CB 3.42Å; L723-N728 PolarHBondContact O-N 3.36Å; G725-N728 WeakPolarHBondContact O-CB 3.27Å; G725-N728 PolarHBondContact O-N 2.72Å; G725-N728 VanDerWaalsContact O-N 3.13Å; F726-N728 VanDerWaalsContact C-N 3.32Å; N728-V731 WeakPolarHBondContact O-CG1 3.31Å; N728-V731 PolarHBondContact O-N 3.5Å; N728-Y732 WeakPolarHBondContact O-CD2 3.34Å; N728-Y732 PolarHBondContact O-N 2.83Å
729M97.6Very high97.3Very high53 Ų5346.6 Ų46.626%0.26124%0.243SC..Hα-helixtrans-61-47.9175.4-174.7177.276.200111.6M47 F50 G725 F726 A727 V731 I733M47-M729 HydrophobicContact CE-SD 3.88Å; F50-M729 HydrophobicContact CD1-CB 4.21Å; F50-M729 HydrophobicContact CD1-CG 4.33Å; F50-M729 HydrophobicContact CD2-CB 4.45Å; F50-M729 HydrophobicContact CD2-CG 3.71Å; F50-M729 HydrophobicContact CD2-SD 4.36Å; F50-M729 HydrophobicContact CE1-CB 4.13Å; F50-M729 HydrophobicContact CE1-CG 4.36Å; F50-M729 HydrophobicContact CE2-CB 4.36Å; F50-M729 HydrophobicContact CE2-CG 3.73Å; F50-M729 HydrophobicContact CG-CB 4.4Å; F50-M729 HydrophobicContact CG-CG 4.04Å; F50-M729 HydrophobicContact CZ-CB 4.22Å; F50-M729 HydrophobicContact CZ-CG 4.08Å; G725-M729 PolarHBondContact O-N 2.79Å; F726-M729 HydrophobicContact CD1-CE 4.02Å; F726-M729 PolarHBondContact O-N 3.44Å; A727-M729 PolarHBondContact O-N 2.89Å; M729-V731 PolarHBondContact O-N 3.13Å; M729-I733 HydrophobicContact CG-CD1 3.9Å; M729-I733 WeakPolarHBondContact O-CG1 3.37Å; M729-I733 PolarHBondContact O-N 3.11Å
730H98.6Very high97.3Very high84 Ų8448.7 Ų48.739%0.38925%0.252SS..Hα-helixtrans-62.2-41.1-179.7-173.8-92.6000112.4Y716 F726 A727 Y732 I733 H734Y716-H730 HydrophobicContact CE1-CB 4.12Å; Y716-H730 AromaticContact CE1-ND1 3.7Å; Y716-H730 AromaticContact CZ-ND1 3.63Å; Y716-H730 PolarHBondContact OH-ND1 2.83Å; F726-H730 WeakPolarHBondContact O-CB 3.3Å; F726-H730 PolarHBondContact O-N 2.68Å; A727-H730 PolarHBondContact O-N 3.29Å; H730-Y732 PolarHBondContact O-N 3.28Å; H730-I733 PolarHBondContact O-N 3.02Å; H730-H734 VanDerWaalsContact O-CB 3.28Å; H730-H734 WeakPolarHBondContact O-CB 3.08Å; H730-H734 PolarHBondContact O-N 2.98Å
731V98.6Very high97.3Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-64.2-43.4-176.465.10000111.6W612 V636 V684 Y716 L723 A727 N728 M729 I733 H734 M735W612-V731 HydrophobicContact CH2-CG1 4.35Å; W612-V731 HydrophobicContact CZ3-CG1 4.34Å; V636-V731 HydrophobicContact CG2-CG2 4.37Å; V684-V731 HydrophobicContact CG1-CG2 3.8Å; V684-V731 HydrophobicContact CG2-CG2 4.48Å; Y716-V731 HydrophobicContact CE2-CB 3.94Å; Y716-V731 HydrophobicContact CE2-CG2 4.2Å; Y716-V731 WeakPolarHBondContact OH-CA 3.17Å; Y716-V731 VanDerWaalsContact OH-CB 3.25Å; Y716-V731 WeakPolarHBondContact OH-CB 3.22Å; Y716-V731 PolarHBondContact OH-N 3.09Å; L723-V731 HydrophobicContact CD1-CB 4.3Å; L723-V731 HydrophobicContact CD1-CG1 4.18Å; L723-V731 HydrophobicContact CD1-CG2 4.29Å; A727-V731 PolarHBondContact O-N 3.13Å; N728-V731 WeakPolarHBondContact O-CG1 3.31Å; N728-V731 PolarHBondContact O-N 3.5Å; M729-V731 PolarHBondContact O-N 3.13Å; V731-I733 PolarHBondContact O-N 2.87Å; V731-H734 PolarHBondContact O-N 3.25Å; V731-M735 HydrophobicContact CG2-CG 4.27Å; V731-M735 HydrophobicContact CG2-SD 3.85Å; V731-M735 WeakPolarHBondContact O-CB 3.19Å; V731-M735 WeakPolarHBondContact O-CG 3.07Å; V731-M735 PolarHBondContact O-N 2.85Å
732Y98.6Very high97.3Very high43 Ų4349.8 Ų49.817%0.16926%0.259CS..Hα-helixtrans-67-36.2176.7-78.5-64.5000113.1F50 W546 W610 N728 H730 A736F50-Y732 AromaticContact CE1-CD2 3.91Å; F50-Y732 HydrophobicContact CE1-CD2 3.91Å; F50-Y732 AromaticContact CZ-CD2 3.86Å; F50-Y732 HydrophobicContact CZ-CD2 3.86Å; F50-Y732 HydrophobicContact CZ-CG 4.2Å; W546-Y732 HydrophobicContact CB-CD1 3.74Å; W546-Y732 HydrophobicContact CB-CE1 3.78Å; W546-Y732 AromaticContact CD1-CD1 3.68Å; W546-Y732 AromaticContact CD2-CD1 3.68Å; W546-Y732 HydrophobicContact CD2-CD1 3.68Å; W546-Y732 HydrophobicContact CD2-CE1 4.08Å; W546-Y732 HydrophobicContact CE3-CD1 4.25Å; W546-Y732 HydrophobicContact CE3-CE1 4.26Å; W546-Y732 AromaticContact CG-CD1 3.43Å; W546-Y732 HydrophobicContact CG-CD1 3.43Å; W546-Y732 VanDerWaalsContact CG-CD1 3.43Å; W546-Y732 AromaticContact CG-CE1 3.89Å; W546-Y732 HydrophobicContact CG-CE1 3.89Å; W546-Y732 HydrophobicContact CG-CG 4.32Å; W546-Y732 PolarHBondContact NE1-O 2.73Å; W610-Y732 HydrophobicContact CH2-CE1 4.14Å; N728-Y732 WeakPolarHBondContact O-CD2 3.34Å; N728-Y732 PolarHBondContact O-N 2.83Å; H730-Y732 PolarHBondContact O-N 3.28Å; Y732-A736 VanDerWaalsContact O-CB 3.29Å; Y732-A736 WeakPolarHBondContact O-CB 3.2Å; Y732-A736 PolarHBondContact O-N 2.85Å
733I98.6Very high97.4Very high66 Ų6649.6 Ų49.634%0.33825%0.25SS..Hα-helixtrans-65.3-45.6173.7-68.5167.8000110.1I46 M47 M729 H730 V731 A736 K737I46-I733 HydrophobicContact CG1-CG1 3.9Å; M47-I733 HydrophobicContact SD-CD1 4.47Å; M729-I733 HydrophobicContact CG-CD1 3.9Å; M729-I733 WeakPolarHBondContact O-CG1 3.37Å; M729-I733 PolarHBondContact O-N 3.11Å; H730-I733 PolarHBondContact O-N 3.02Å; V731-I733 PolarHBondContact O-N 2.87Å; I733-A736 PolarHBondContact O-N 3.48Å; I733-K737 PolarHBondContact O-N 2.94Å
734H98.7Very high97.2Very high47 Ų4757.7 Ų57.722%0.21829%0.288CS..Hα-helixtrans-63.4-45.4179.8-172.368.5000111.6H730 V731 K737 F738H730-H734 VanDerWaalsContact O-CB 3.28Å; H730-H734 WeakPolarHBondContact O-CB 3.08Å; H730-H734 PolarHBondContact O-N 2.98Å; V731-H734 PolarHBondContact O-N 3.25Å; H734-K737 PolarHBondContact O-N 2.96Å; H734-F738 PolarHBondContact O-N 3.05Å
735M98.8Very high97.5Very high0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-62.1-41.3173.9-74.3171.766.700112.6W546 W610 M634 V636 L682 V731 K737 F738 L739W546-M735 HydrophobicContact CH2-CB 4.18Å; W546-M735 HydrophobicContact CH2-CE 3.69Å; W546-M735 HydrophobicContact CZ2-CB 3.87Å; W546-M735 HydrophobicContact CZ2-CE 4.34Å; W546-M735 HydrophobicContact CZ3-CE 3.88Å; W610-M735 HydrophobicContact CB-CE 4.29Å; W610-M735 HydrophobicContact CD2-CE 3.72Å; W610-M735 HydrophobicContact CE3-CE 3.18Å; W610-M735 HydrophobicContact CG-CE 4.2Å; W610-M735 HydrophobicContact CZ3-CE 3.69Å; M634-M735 HydrophobicContact CB-CE 4.31Å; M634-M735 HydrophobicContact CE-CE 4.41Å; M634-M735 HydrophobicContact SD-CB 3.64Å; M634-M735 HydrophobicContact SD-CE 4.03Å; M634-M735 HydrophobicContact SD-CG 3.83Å; V636-M735 HydrophobicContact CG2-CE 4.36Å; V636-M735 HydrophobicContact CG2-SD 3.79Å; L682-M735 HydrophobicContact CD2-CG 4.08Å; V731-M735 HydrophobicContact CG2-CG 4.27Å; V731-M735 HydrophobicContact CG2-SD 3.85Å; V731-M735 WeakPolarHBondContact O-CB 3.19Å; V731-M735 WeakPolarHBondContact O-CG 3.07Å; V731-M735 PolarHBondContact O-N 2.85Å; M735-K737 VanDerWaalsContact C-N 3.32Å; M735-K737 PolarHBondContact O-N 3.38Å; M735-F738 PolarHBondContact O-N 3.23Å; M735-L739 VanDerWaalsContact O-CB 3.29Å; M735-L739 WeakPolarHBondContact O-CB 3.14Å; M735-L739 PolarHBondContact O-N 3.12Å
736A98.6Very high97.7Very high10 Ų1056.6 Ų56.68%0.08327%0.266CS..Hα-helixtrans-61.7-41.7175.800000111.5W546 Y549 Y732 I733 L739 K740W546-A736 HydrophobicContact CZ2-CB 4.5Å; Y549-A736 HydrophobicContact CE1-CB 3.89Å; Y732-A736 VanDerWaalsContact O-CB 3.29Å; Y732-A736 WeakPolarHBondContact O-CB 3.2Å; Y732-A736 PolarHBondContact O-N 2.85Å; I733-A736 PolarHBondContact O-N 3.48Å; A736-L739 PolarHBondContact O-N 3.23Å; A736-K740 WeakPolarHBondContact O-CB 3.16Å; A736-K740 PolarHBondContact O-N 2.89Å
737K98.4Very high97.8Very high135 Ų13550 Ų5059%0.58724%0.238SC*.Hα-helixtrans-63.4-46.7175-178.5178.1178.2-178.30112I733 H734 M735 L739 K740 N741I733-K737 PolarHBondContact O-N 2.94Å; H734-K737 PolarHBondContact O-N 2.96Å; M735-K737 VanDerWaalsContact C-N 3.32Å; M735-K737 PolarHBondContact O-N 3.38Å; K737-L739 VanDerWaalsContact C-N 3.35Å; K737-L739 PolarHBondContact O-N 3.41Å; K737-K740 PolarHBondContact O-N 2.85Å; K737-N741 VanDerWaalsContact O-CG 3.31Å; K737-N741 PolarHBondContact O-N 3.46Å; K737-N741 VanDerWaalsContact O-N 3.07Å; K737-N741 PolarHBondContact O-OD1 3.49Å
738F98.8Very high97.8Very high12 Ų1252.4 Ų52.45%0.05325%0.247CC..Hα-helixtrans-58.4-47.2175.7175.8-91.5000111.4C632 M634 Q680 L682 D712 H734 M735 K740 N741 C742C632-F738 HydrophobicContact CB-CE1 4.04Å; C632-F738 HydrophobicContact CB-CZ 4.2Å; M634-F738 HydrophobicContact CG-CD1 3.46Å; M634-F738 VanDerWaalsContact CG-CD1 3.46Å; M634-F738 HydrophobicContact CG-CE1 3.63Å; M634-F738 HydrophobicContact CG-CG 4.42Å; M634-F738 HydrophobicContact SD-CD1 3.64Å; M634-F738 HydrophobicContact SD-CE1 4.36Å; M634-F738 HydrophobicContact SD-CG 4.46Å; Q680-F738 HydrophobicContact CB-CE2 4.36Å; Q680-F738 HydrophobicContact CB-CZ 3.92Å; L682-F738 HydrophobicContact CB-CD1 4.07Å; L682-F738 HydrophobicContact CB-CD2 3.83Å; L682-F738 HydrophobicContact CB-CE1 4.01Å; L682-F738 HydrophobicContact CB-CE2 3.77Å; L682-F738 HydrophobicContact CB-CG 3.97Å; L682-F738 HydrophobicContact CB-CZ 3.85Å; L682-F738 HydrophobicContact CD2-CB 3.89Å; L682-F738 HydrophobicContact CD2-CD1 4.32Å; L682-F738 HydrophobicContact CD2-CD2 4.35Å; L682-F738 HydrophobicContact CD2-CG 3.93Å; D712-F738 HydrophobicContact CB-CE2 4.43Å; D712-F738 WeakPolarHBondContact OD2-CD2 3.29Å; D712-F738 WeakPolarHBondContact OD2-CE2 3.32Å; H734-F738 PolarHBondContact O-N 3.05Å; M735-F738 PolarHBondContact O-N 3.23Å; F738-K740 VanDerWaalsContact C-N 3.35Å; F738-K740 PolarHBondContact O-N 2.99Å; F738-N741 PolarHBondContact O-N 2.85Å; F738-C742 WeakPolarHBondContact O-CB 3.5Å; F738-C742 PolarHBondContact O-N 2.66Å
739L98.7Very high97.8Very high3 Ų353 Ų532%0.01625%0.248CC..Hα-helixtrans-61.4-42.4179.8-174.663.9000112.2L526 L550 A608 M634 M735 A736 K737 C742 F743L526-L739 HydrophobicContact CD1-CD1 4.07Å; L526-L739 HydrophobicContact CD1-CD2 4.39Å; L526-L739 HydrophobicContact CD2-CD2 3.91Å; L550-L739 HydrophobicContact CD1-CD2 4.08Å; L550-L739 HydrophobicContact CD2-CD2 3.96Å; A608-L739 HydrophobicContact CB-CD1 3.48Å; A608-L739 VanDerWaalsContact CB-CD1 3.48Å; M634-L739 HydrophobicContact CE-CB 4.14Å; M634-L739 HydrophobicContact CE-CD1 4.02Å; M634-L739 HydrophobicContact CE-CG 4.47Å; M735-L739 VanDerWaalsContact O-CB 3.29Å; M735-L739 WeakPolarHBondContact O-CB 3.14Å; M735-L739 PolarHBondContact O-N 3.12Å; A736-L739 PolarHBondContact O-N 3.23Å; K737-L739 VanDerWaalsContact C-N 3.35Å; K737-L739 PolarHBondContact O-N 3.41Å; L739-C742 PolarHBondContact O-N 3.14Å; L739-F743 HydrophobicContact CD1-CD2 4.09Å; L739-F743 HydrophobicContact CD1-CE1 4.16Å; L739-F743 HydrophobicContact CD1-CE2 3.42Å; L739-F743 VanDerWaalsContact CD1-CE2 3.42Å; L739-F743 HydrophobicContact CD1-CZ 3.49Å; L739-F743 VanDerWaalsContact CD1-CZ 3.49Å; L739-F743 HydrophobicContact CD2-CE2 4.15Å; L739-F743 HydrophobicContact CG-CD2 4.02Å; L739-F743 HydrophobicContact CG-CE2 3.64Å; L739-F743 HydrophobicContact CG-CZ 4.24Å; L739-F743 PolarHBondContact O-N 3.4Å; L739-F743 VanDerWaalsContact O-N 3.09Å
740K97.5Very high97.8Very high114 Ų11453 Ų5350%0.49625%0.247SC..Hα-helixtrans-60.2-50.2176.2-176.3174.4178.1173.10111.2A736 K737 F738 C742 F743 E744A736-K740 WeakPolarHBondContact O-CB 3.16Å; A736-K740 PolarHBondContact O-N 2.89Å; K737-K740 PolarHBondContact O-N 2.85Å; F738-K740 VanDerWaalsContact C-N 3.35Å; F738-K740 PolarHBondContact O-N 2.99Å; K740-C742 VanDerWaalsContact C-N 3.27Å; K740-C742 PolarHBondContact O-N 2.96Å; K740-F743 PolarHBondContact O-N 2.73Å; K740-E744 PolarHBondContact O-N 3.04Å
741N97.3Very high97.8Very high84 Ų8450.8 Ų50.845%0.44924%0.237SC..Hα-helixtrans-60.6-37.5177.2-67.4-4.8000112.2K737 F738 F743 E744K737-N741 VanDerWaalsContact O-CG 3.31Å; K737-N741 PolarHBondContact O-N 3.46Å; K737-N741 VanDerWaalsContact O-N 3.07Å; K737-N741 PolarHBondContact O-OD1 3.49Å; F738-N741 PolarHBondContact O-N 2.85Å; N741-F743 VanDerWaalsContact C-N 3.28Å; N741-F743 PolarHBondContact O-N 2.54Å; N741-E744 PolarHBondContact O-N 3.37Å
742C97.2Very high97.7Very high0 Ų054.7 Ų54.70%026%0.255CS..Hα-helixtrans-65.4-30.4175.9163.10000112.7K631 C632 F738 L739 K740K631-C742 VanDerWaalsContact CD-O 3.23Å; K631-C742 WeakPolarHBondContact CD-O 3.41Å; K631-C742 WeakPolarHBondContact CE-O 3.37Å; K631-C742 PolarHBondContact NZ-O 2.84Å; C632-C742 HydrophobicContact CB-CB 3.79Å; C632-C742 WeakPolarHBondContact CB-SG 3.37Å; C632-C742 WeakPolarHBondContact SG-CB 3.47Å; C632-C742 CovalentContact SG-SG 2.01Å; C632-C742 PolarHBondContact SG-SG 3.08Å; F738-C742 WeakPolarHBondContact O-CB 3.5Å; F738-C742 PolarHBondContact O-N 2.66Å; L739-C742 PolarHBondContact O-N 3.14Å; K740-C742 VanDerWaalsContact C-N 3.27Å; K740-C742 PolarHBondContact O-N 2.96Å
743F97.6Very high97.7Very high25 Ų2555.7 Ų55.711%0.1126%0.263CS..Hα-helixtrans-91-8-179.1-70.1-23.2000114.8P524 V556 R606 A608 L739 K740 N741P524-F743 HydrophobicContact CB-CD1 4.43Å; P524-F743 HydrophobicContact CB-CD2 3.65Å; P524-F743 HydrophobicContact CB-CE1 4.4Å; P524-F743 HydrophobicContact CB-CE2 3.62Å; P524-F743 HydrophobicContact CB-CG 4.06Å; P524-F743 HydrophobicContact CB-CZ 4Å; P524-F743 HydrophobicContact CG-CD2 4.22Å; P524-F743 HydrophobicContact CG-CE2 4.37Å; V556-F743 HydrophobicContact CG1-CE2 4.07Å; V556-F743 HydrophobicContact CG2-CD2 4.34Å; V556-F743 HydrophobicContact CG2-CE2 4.11Å; R606-F743 HydrophobicContact CB-CD1 3.63Å; R606-F743 HydrophobicContact CB-CE1 4.03Å; R606-F743 HydrophobicContact CB-CG 4.15Å; R606-F743 WeakPolarHBondContact CD-O 3.42Å; R606-F743 HydrophobicContact CG-CB 4.35Å; R606-F743 HydrophobicContact CG-CD1 4.18Å; R606-F743 WeakPolarHBondContact O-CE1 3.08Å; A608-F743 HydrophobicContact CB-CE1 3.77Å; A608-F743 HydrophobicContact CB-CZ 3.64Å; L739-F743 HydrophobicContact CD1-CD2 4.09Å; L739-F743 HydrophobicContact CD1-CE1 4.16Å; L739-F743 HydrophobicContact CD1-CE2 3.42Å; L739-F743 VanDerWaalsContact CD1-CE2 3.42Å; L739-F743 HydrophobicContact CD1-CZ 3.49Å; L739-F743 VanDerWaalsContact CD1-CZ 3.49Å; L739-F743 HydrophobicContact CD2-CE2 4.15Å; L739-F743 HydrophobicContact CG-CD2 4.02Å; L739-F743 HydrophobicContact CG-CE2 3.64Å; L739-F743 HydrophobicContact CG-CZ 4.24Å; L739-F743 PolarHBondContact O-N 3.4Å; L739-F743 VanDerWaalsContact O-N 3.09Å; K740-F743 PolarHBondContact O-N 2.73Å; N741-F743 VanDerWaalsContact C-N 3.28Å; N741-F743 PolarHBondContact O-N 2.54Å
744E91.7Very high97.6Very high172 Ų17254.7 Ų54.780%0.80426%0.256SS*.  trans-70.60161.7-66.4176.7-174.400110.7K631 K740 N741K631-E744 PolarHBondContact NZ-OXT 2.66Å; K740-E744 PolarHBondContact O-N 3.04Å; N741-E744 PolarHBondContact O-N 3.37Å

Retrieved 744 of 744 residues in 469.5 ms (Link to these results)

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