A0A087XZV8_POEFO Loading...

WD repeat domain 53

AlphaFold DB , UniProt , Accession A0A087XZV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 379 aa.

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

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
1M70.4Confident92.1Very high228 Ų22870 Ų70100%1.12340%0.401SS*.  0129.70-155.6172.8-151.400106.3
2G84.6Confident92.5Very high30 Ų3065.5 Ų65.531%0.30938%0.377SS..PPolyproline II helixtrans-75.1147.9-178.900000111.5V373G2-V373 CarbonylContact C-O 3.56Å; G2-V373 WeakPolarHBondContact CA-O 3.33Å
3S94.1Very high92.9Very high55 Ų5560.5 Ų60.539%0.38535%0.348SS..EExtended strand (participates in β ladder)trans-95.6130.4168.261.10000110V373S3-V373 PolarHBondContact N-O 2.9Å; S3-V373 PolarHBondContact O-N 3.05Å
4L96.4Very high93.2Very high102 Ų10259.2 Ų59.253%0.53434%0.339SS..EExtended strand (participates in β ladder)trans-88.9131.2178.8-168.571.9000110.3N370 L371L4-N370 HydrophobicContact CD1-CB 3.59Å; L4-N370 HydrophobicContact CG-CB 4.12Å; L4-L371 CarbonylContact C-O 3.53Å
5W97.5Very high93.6Very high16 Ų1655.3 Ų55.36%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-110.1118.2169.3-57.2-9.3000108.2I26 W38 L356 I363 N370 L371 V373W5-I26 HydrophobicContact CH2-CG1 4.1Å; W5-I26 HydrophobicContact CZ3-CB 4.15Å; W5-I26 HydrophobicContact CZ3-CG1 3.92Å; W5-I26 HydrophobicContact CZ3-CG2 4.35Å; W5-W38 HydrophobicContact CB-CE3 4.22Å; W5-W38 HydrophobicContact CB-CH2 4.41Å; W5-W38 HydrophobicContact CB-CZ3 3.93Å; W5-W38 HydrophobicContact CE3-CB 4.27Å; W5-W38 HydrophobicContact CE3-CD2 4.32Å; W5-W38 HydrophobicContact CE3-CE3 4.37Å; W5-W38 HydrophobicContact CE3-CG 4.3Å; W5-W38 HydrophobicContact CZ3-CB 4.09Å; W5-W38 HydrophobicContact CZ3-CG 4.46Å; W5-L356 HydrophobicContact CH2-CD1 4.01Å; W5-L356 HydrophobicContact CH2-CD2 4.48Å; W5-L356 HydrophobicContact CZ2-CD1 4.08Å; W5-I363 HydrophobicContact CH2-CD1 4.5Å; W5-I363 HydrophobicContact CZ3-CD1 4.39Å; W5-N370 WeakPolarHBondContact O-CA 3.39Å; W5-L371 HydrophobicContact CB-CB 4.24Å; W5-L371 HydrophobicContact CE3-CD1 4.15Å; W5-L371 PolarHBondContact N-O 3.48Å; W5-L371 PolarHBondContact O-N 3.12Å; W5-V373 HydrophobicContact CD2-CG2 3.8Å; W5-V373 VanDerWaalsContact CE2-CG2 3.5Å; W5-V373 HydrophobicContact CE3-CG2 4.23Å; W5-V373 HydrophobicContact CG-CG2 4.38Å; W5-V373 HydrophobicContact CH2-CG2 4.13Å; W5-V373 HydrophobicContact CZ2-CG2 3.7Å; W5-V373 HydrophobicContact CZ3-CG2 4.38Å
6S95.8Very high93.9Very high54 Ų5452.1 Ų52.138%0.37830%0.299SS..  trans-125-178.1-169.460.70000112G8 W38 N370S6-G8 PolarHBondContact O-N 2.93Å; S6-W38 WeakPolarHBondContact O-CZ3 3.44Å; S6-N370 VanDerWaalsContact CA-OD1 3.24Å; S6-N370 WeakPolarHBondContact CA-OD1 3.43Å; S6-N370 WeakPolarHBondContact CB-OD1 3.25Å
7E93.6Very high94Very high153 Ų15349.5 Ų49.572%0.71529%0.285SS*.SBendtrans65.3-3.8177.5-53.5-172.4153.900115.2R47E7-R47 VanDerWaalsContact C-NH2 3.33Å; E7-R47 PolarHBondContact O-NH1 3.37Å; E7-R47 PolarHBondContact O-NH2 3.1Å
8G92.8Very high94.1Very high4 Ų448.4 Ų48.44%0.04128%0.284CS..SBendtrans-70.9-40.9-178.500000114.4S6 T36 W38 R47S6-G8 PolarHBondContact O-N 2.93Å; G8-T36 PolarHBondContact O-OG1 3.48Å; G8-W38 VanDerWaalsContact CA-CH2 3.4Å; G8-R47 WeakPolarHBondContact O-CD 3.45Å; G8-R47 PolarHBondContact O-NE 3.28Å
9H96.8Very high94Very high12 Ų1246.6 Ų46.66%0.05627%0.274CS..  trans-125.8154.5-173.8-65.9-74.9000111.3I13 S28 A30 E34 T36 T369H9-I13 HydrophobicContact CB-CG1 4.32Å; H9-S28 PolarHBondContact CE1-O 3.36Å; H9-S28 VanDerWaalsContact CE1-O 3.27Å; H9-S28 PolarHBondContact NE2-O 3.2Å; H9-S28 PolarHBondContact NE2-OG 2.92Å; H9-A30 HydrophobicContact CB-CB 4.15Å; H9-A30 WeakPolarHBondContact ND1-CB 3.16Å; H9-E34 VanDerWaalsContact CA-OE2 3.24Å; H9-E34 WeakPolarHBondContact CA-OE2 3.32Å; H9-E34 IonicContact CG-OE2 2.9Å; H9-E34 IonicContact ND1-OE2 3.72Å; H9-T36 PolarHBondContact CE1-OG1 2.59Å; H9-T369 WeakPolarHBondContact O-CB 3.48Å
10S96.3Very high93.4Very high93 Ų9348.9 Ų48.965%0.6529%0.29SS*.SBendtrans-101-12.1173.276.70000113.1E34S10-E34 WeakPolarHBondContact CB-OE1 3.44Å; S10-E34 PolarHBondContact N-OE2 3.08Å; S10-E34 PolarHBondContact OG-OE1 3.05Å
11S95.4Very high92.7Very high23 Ų2347.4 Ų47.416%0.16129%0.285CS..SBendtrans-128.6176.8-177.962.30000112.1A30 E31 T369S11-A30 WeakPolarHBondContact OG-CB 3.37Å; S11-E31 PolarHBondContact OG-N 2.59Å; S11-E31 PolarHBondContact OG-O 3.48Å; S11-T369 WeakPolarHBondContact O-CG2 3.15Å
12S96.1Very high93.1Very high16 Ų1642.5 Ų42.511%0.11227%0.27CS..  trans-65.8135.1-175.4-158.90000111.5L14 A30 E31 Q367S12-L14 PolarHBondContact O-N 3.3Å; S12-A30 WeakPolarHBondContact O-CA 3.46Å; S12-A30 WeakPolarHBondContact O-CB 3.36Å; S12-E31 PolarHBondContact O-N 2.82Å; S12-E31 VanDerWaalsContact O-N 3.13Å; S12-Q367 VanDerWaalsContact OG-C 3.3Å; S12-Q367 WeakPolarHBondContact OG-CA 3.46Å; S12-Q367 PolarHBondContact OG-O 3.13Å
13I98.1Very high92.9Very high0 Ų045 Ų450%027%0.274CS..EExtended strand (participates in β ladder)trans-80120.8179.1-58.8177.3000109.4H9 V16 G29 A365 S368 L371H9-I13 HydrophobicContact CB-CG1 4.32Å; I13-V16 HydrophobicContact CG2-CG2 4.17Å; I13-G29 WeakPolarHBondContact CG2-O 3.48Å; I13-A365 HydrophobicContact CB-CB 3.97Å; I13-A365 HydrophobicContact CG2-CB 3.73Å; I13-S368 PolarHBondContact N-O 3.39Å; I13-L371 HydrophobicContact CD1-CD2 3.57Å; I13-L371 HydrophobicContact CD1-CG 3.7Å; I13-L371 HydrophobicContact CG2-CD2 4.05Å
14L97.7Very high92.6Very high43 Ų4342.8 Ų42.823%0.22526%0.26CS..EExtended strand (participates in β ladder)trans-96.5-29.6-176.6-59.9178.4000112.7S12 G29 E31 D55 V56S12-L14 PolarHBondContact O-N 3.3Å; L14-G29 PolarHBondContact N-O 3.23Å; L14-E31 HydrophobicContact CD1-CG 3.89Å; L14-E31 HydrophobicContact CD2-CG 4.06Å; L14-E31 HydrophobicContact CG-CG 4.06Å; L14-D55 HydrophobicContact CD1-CB 3.68Å; L14-V56 WeakPolarHBondContact CB-O 3.37Å
15C98.1Very high92.5Very high0 Ų038.6 Ų38.60%024%0.238CC..EExtended strand (participates in β ladder)trans-146.8155.3-179.267.50000114S28 G29 V56 T57 S58 W350C15-S28 WeakPolarHBondContact O-CA 3.49Å; C15-S28 WeakPolarHBondContact O-CB 3.22Å; C15-G29 PolarHBondContact N-O 3.49Å; C15-G29 PolarHBondContact O-N 2.9Å; C15-V56 PolarHBondContact SG-O 3.26Å; C15-T57 WeakPolarHBondContact CB-O 3.42Å; C15-S58 VanDerWaalsContact SG-C 3.5Å; C15-S58 VanDerWaalsContact SG-CA 3.54Å; C15-S58 PolarHBondContact SG-N 3Å; C15-W350 HydrophobicContact CB-CD2 4.15Å; C15-W350 HydrophobicContact CB-CE3 4.2Å; C15-W350 HydrophobicContact CB-CH2 4.26Å; C15-W350 HydrophobicContact CB-CZ2 4.19Å; C15-W350 HydrophobicContact CB-CZ3 4.26Å
16V98.3Very high92.4Very high5 Ų537.9 Ų37.93%0.0324%0.236CC..EExtended strand (participates in β ladder)trans-139.6131.5174.9-170.10000110.1I13 I26 A27 W350 C352 I363 A365 L371I13-V16 HydrophobicContact CG2-CG2 4.17Å; V16-I26 HydrophobicContact CG1-CG2 3.63Å; V16-A27 CarbonylContact C-O 3.57Å; V16-A27 VanDerWaalsContact CA-O 3.32Å; V16-A27 WeakPolarHBondContact CA-O 3.47Å; V16-W350 PolarHBondContact O-NE1 2.84Å; V16-C352 HydrophobicContact CB-CB 3.84Å; V16-C352 HydrophobicContact CG1-CB 3.73Å; V16-I363 HydrophobicContact CG1-CG2 4.1Å; V16-A365 HydrophobicContact CG2-CB 3.98Å; V16-L371 HydrophobicContact CG2-CD2 3.54Å
17G96.7Very high92.5Very high7 Ų735.3 Ų35.37%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-123.7147.4172.700000111.5I26 A27 F61G17-I26 CarbonylContact O-C 3.48Å; G17-I26 WeakPolarHBondContact O-CA 3.37Å; G17-A27 PolarHBondContact N-O 3.36Å; G17-A27 PolarHBondContact O-N 3.18Å; G17-F61 WeakPolarHBondContact O-CE2 3.44Å
18A94.9Very high92.7Very high31 Ų3128.1 Ų28.126%0.25618%0.184SC..EExtended strand (participates in β ladder)trans-116.5137.7175.100000111.4I26 C352 A354A18-I26 HydrophobicContact CB-CD1 3.47Å; A18-I26 VanDerWaalsContact CB-CD1 3.47Å; A18-C352 VanDerWaalsContact CB-SG 3.59Å; A18-A354 HydrophobicContact CB-CB 3.73Å
19S92.4Very high93Very high13 Ų1327.9 Ų27.99%0.09118%0.182CC..  trans-72.7133.3173.1-178.40000110.3G21 L25S19-G21 PolarHBondContact O-N 3.46Å; S19-G21 PolarHBondContact OG-N 3.11Å; S19-L25 WeakPolarHBondContact CB-O 3.14Å; S19-L25 PolarHBondContact N-O 2.93Å
20P83.1Confident93Very high92 Ų9227.3 Ų27.360%0.59718%0.179SC*.SBendtrans-75.8-7.7175.830.5-33.2000113
21G78.4Confident93.1Very high19 Ų1927 Ų2720%0.19617%0.168CC..SBendtrans-81.5167.9-176.300000114.4S19 E23 G24S19-G21 PolarHBondContact O-N 3.46Å; S19-G21 PolarHBondContact OG-N 3.11Å; G21-E23 PolarHBondContact O-N 3.29Å; G21-E23 VanDerWaalsContact O-N 3.11Å; G21-G24 PolarHBondContact O-N 3.24Å; G21-G24 VanDerWaalsContact O-N 3.08Å
22P77.3Confident93.1Very high124 Ų12427 Ų2781%0.80517%0.17SC*.THydrogen-bonded Turntrans-64.3-18.4-178.228.1-36.3000114G24P22-G24 PolarHBondContact O-N 3.34Å
23E81.4Confident93.1Very high82 Ų8226.2 Ų26.238%0.38317%0.165SC..THydrogen-bonded Turntrans-63.5-30175.3-61.1-173.3175.600111.7G21 L25G21-E23 PolarHBondContact O-N 3.29Å; G21-E23 VanDerWaalsContact O-N 3.11Å; E23-L25 HydrophobicContact CB-CG 4.09Å; E23-L25 PolarHBondContact O-N 2.87Å
24G87.3Confident93Very high10 Ų1028.4 Ų28.410%0.10318%0.176CC..  trans62.330.4177.600000113.7G21 P22 R40G21-G24 PolarHBondContact O-N 3.24Å; G21-G24 VanDerWaalsContact O-N 3.08Å; P22-G24 PolarHBondContact O-N 3.34Å; G24-R40 WeakPolarHBondContact O-CB 3.42Å; G24-R40 PolarHBondContact O-N 3.29Å
25L94Very high93Very high13 Ų1326.5 Ų26.57%0.06817%0.165CC..  trans-65.9142.6177.7-64-179.3000110.9S19 E23 V37 W38 V45 F61 P82 R83S19-L25 WeakPolarHBondContact CB-O 3.14Å; S19-L25 PolarHBondContact N-O 2.93Å; E23-L25 HydrophobicContact CB-CG 4.09Å; E23-L25 PolarHBondContact O-N 2.87Å; L25-V37 HydrophobicContact CB-CG1 4.4Å; L25-V37 HydrophobicContact CD1-CG1 4.39Å; L25-V37 HydrophobicContact CD2-CG1 4.33Å; L25-W38 WeakPolarHBondContact CA-O 3.06Å; L25-V45 HydrophobicContact CD2-CG2 4.28Å; L25-F61 HydrophobicContact CB-CE1 4.25Å; L25-F61 HydrophobicContact CB-CZ 4.13Å; L25-P82 HydrophobicContact CD1-CB 3.98Å; L25-P82 HydrophobicContact CD1-CG 4.1Å; L25-R83 HydrophobicContact CD1-CG 4.27Å
26I96.7Very high93Very high2 Ų226.5 Ų26.51%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-115.8140.5172.5-55.3-58.2000107.8W5 V16 G17 A18 V37 W38 A354 L356 I363W5-I26 HydrophobicContact CH2-CG1 4.1Å; W5-I26 HydrophobicContact CZ3-CB 4.15Å; W5-I26 HydrophobicContact CZ3-CG1 3.92Å; W5-I26 HydrophobicContact CZ3-CG2 4.35Å; V16-I26 HydrophobicContact CG1-CG2 3.63Å; G17-I26 CarbonylContact O-C 3.48Å; G17-I26 WeakPolarHBondContact O-CA 3.37Å; A18-I26 HydrophobicContact CB-CD1 3.47Å; A18-I26 VanDerWaalsContact CB-CD1 3.47Å; I26-V37 CarbonylContact O-C 3.46Å; I26-V37 WeakPolarHBondContact O-CA 3.46Å; I26-W38 HydrophobicContact CB-CB 4.25Å; I26-W38 PolarHBondContact N-O 2.89Å; I26-W38 PolarHBondContact O-N 2.85Å; I26-A354 HydrophobicContact CD1-CB 4.27Å; I26-L356 HydrophobicContact CD1-CD2 4.07Å; I26-L356 HydrophobicContact CG1-CD2 4.24Å; I26-I363 HydrophobicContact CB-CD1 4.38Å; I26-I363 HydrophobicContact CD1-CD1 3.49Å; I26-I363 VanDerWaalsContact CD1-CD1 3.49Å; I26-I363 HydrophobicContact CG1-CD1 3.65Å; I26-I363 HydrophobicContact CG2-CD1 3.82Å
27A97.4Very high92.9Very high0 Ų026.3 Ų26.30%016%0.164CC..EExtended strand (participates in β ladder)trans-117.1140.3170.900000108.7V16 G17 T36 V37 A59 F61 L69V16-A27 CarbonylContact C-O 3.57Å; V16-A27 VanDerWaalsContact CA-O 3.32Å; V16-A27 WeakPolarHBondContact CA-O 3.47Å; G17-A27 PolarHBondContact N-O 3.36Å; G17-A27 PolarHBondContact O-N 3.18Å; A27-T36 CarbonylContact C-O 3.46Å; A27-T36 WeakPolarHBondContact CA-O 3.33Å; A27-V37 HydrophobicContact CB-CG2 4.25Å; A27-A59 HydrophobicContact CB-CB 4.46Å; A27-F61 HydrophobicContact CB-CE2 3.61Å; A27-F61 HydrophobicContact CB-CZ 3.76Å; A27-L69 HydrophobicContact CB-CD1 3.65Å; A27-L69 HydrophobicContact CB-CD2 3.59Å; A27-L69 HydrophobicContact CB-CG 4.28Å
28S98.4Very high92.9Very high1 Ų126 Ų261%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-132.4143.1167.756.70000111.4H9 C15 T36 W38H9-S28 PolarHBondContact CE1-O 3.36Å; H9-S28 VanDerWaalsContact CE1-O 3.27Å; H9-S28 PolarHBondContact NE2-O 3.2Å; H9-S28 PolarHBondContact NE2-OG 2.92Å; C15-S28 WeakPolarHBondContact O-CA 3.49Å; C15-S28 WeakPolarHBondContact O-CB 3.22Å; S28-T36 PolarHBondContact N-O 2.77Å; S28-T36 PolarHBondContact O-N 3.04Å; S28-W38 PolarHBondContact OG-NE1 3.5Å
29G98.1Very high92.9Very high0 Ų026 Ų260%016%0.158CC..EExtended strand (participates in β ladder)trans-115.9146.517600000111I13 L14 C15 E34I13-G29 WeakPolarHBondContact CG2-O 3.48Å; L14-G29 PolarHBondContact N-O 3.23Å; C15-G29 PolarHBondContact N-O 3.49Å; C15-G29 PolarHBondContact O-N 2.9Å; G29-E34 CarbonylContact C-O 3.51Å; G29-E34 WeakPolarHBondContact CA-O 3.08Å
30A97.9Very high92.9Very high0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-134.3173.9-17700000111.8H9 S11 S12 E34 V56H9-A30 HydrophobicContact CB-CB 4.15Å; H9-A30 WeakPolarHBondContact ND1-CB 3.16Å; S11-A30 WeakPolarHBondContact OG-CB 3.37Å; S12-A30 WeakPolarHBondContact O-CA 3.46Å; S12-A30 WeakPolarHBondContact O-CB 3.36Å; A30-E34 HydrophobicContact CB-CB 4.24Å; A30-E34 PolarHBondContact N-O 2.77Å; A30-V56 PolarHBondContact O-N 3.06Å; A30-V56 VanDerWaalsContact O-N 3.09Å
31E96.7Very high93.4Very high87 Ų8730 Ų3041%0.40716%0.163SC..G310 helixtrans-58.2149.8173.7-59.4169.7161.700111S11 S12 L14 G33 D55S11-E31 PolarHBondContact OG-N 2.59Å; S11-E31 PolarHBondContact OG-O 3.48Å; S12-E31 PolarHBondContact O-N 2.82Å; S12-E31 VanDerWaalsContact O-N 3.13Å; L14-E31 HydrophobicContact CD1-CG 3.89Å; L14-E31 HydrophobicContact CD2-CG 4.06Å; L14-E31 HydrophobicContact CG-CG 4.06Å; E31-G33 VanDerWaalsContact C-N 3.3Å; E31-G33 PolarHBondContact O-N 2.68Å; E31-D55 WeakPolarHBondContact CA-OD1 2.98Å
32G95.6Very high94.2Very high21 Ų2129.9 Ų29.922%0.21616%0.162CC..G310 helixtrans75.316.4178.800000114.5Q53 D55G32-Q53 WeakPolarHBondContact CA-O 3.35Å; G32-Q53 VanDerWaalsContact O-CD 3.28Å; G32-Q53 PolarHBondContact O-NE2 3.37Å; G32-Q53 PolarHBondContact O-OE1 2.82Å; G32-D55 PolarHBondContact N-OD1 3.21Å
33G95.5Very high95Very high0 Ų026.5 Ų26.50%014%0.144CC..G310 helixtrans83.512.2172.600000115.1E31 A49 L50 E54E31-G33 VanDerWaalsContact C-N 3.3Å; E31-G33 PolarHBondContact O-N 2.68Å; G33-A49 WeakPolarHBondContact O-CA 3.45Å; G33-L50 PolarHBondContact O-N 2.88Å; G33-E54 WeakPolarHBondContact CA-O 3.43Å; G33-E54 PolarHBondContact N-O 3.09Å
34E96.8Very high95.7Very high47 Ų4725.2 Ų25.222%0.2214%0.142CC..EExtended strand (participates in β ladder)trans-76.2131.1-178.1-62.1-170.916500111.6H9 S10 G29 A30H9-E34 VanDerWaalsContact CA-OE2 3.24Å; H9-E34 WeakPolarHBondContact CA-OE2 3.32Å; H9-E34 IonicContact CG-OE2 2.9Å; H9-E34 IonicContact ND1-OE2 3.72Å; S10-E34 WeakPolarHBondContact CB-OE1 3.44Å; S10-E34 PolarHBondContact N-OE2 3.08Å; S10-E34 PolarHBondContact OG-OE1 3.05Å; G29-E34 CarbonylContact C-O 3.51Å; G29-E34 WeakPolarHBondContact CA-O 3.08Å; A30-E34 HydrophobicContact CB-CB 4.24Å; A30-E34 PolarHBondContact N-O 2.77Å
35V97.8Very high96Very high2 Ų227.9 Ų27.91%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-125.3126.9175.4-176.50000108.7R47 L48 L50 V56 V71V35-R47 CarbonylContact O-C 3.55Å; V35-R47 VanDerWaalsContact O-CA 3.3Å; V35-R47 WeakPolarHBondContact O-CA 3.4Å; V35-L48 PolarHBondContact N-O 2.83Å; V35-L48 PolarHBondContact O-N 3.2Å; V35-L50 HydrophobicContact CG2-CD1 4.21Å; V35-L50 HydrophobicContact CG2-CG 4.19Å; V35-V56 HydrophobicContact CG2-CG1 4.36Å; V35-V56 HydrophobicContact CG2-CG2 3.87Å; V35-V71 HydrophobicContact CG1-CG2 4.47Å; V35-V71 HydrophobicContact CG2-CG1 3.86Å
36T97.9Very high96.1Very high1 Ų128.2 Ų28.21%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-124.1133.7175.3-63.40000110.6G8 H9 A27 S28 W38 V44 R47G8-T36 PolarHBondContact O-OG1 3.48Å; H9-T36 PolarHBondContact CE1-OG1 2.59Å; A27-T36 CarbonylContact C-O 3.46Å; A27-T36 WeakPolarHBondContact CA-O 3.33Å; S28-T36 PolarHBondContact N-O 2.77Å; S28-T36 PolarHBondContact O-N 3.04Å; T36-W38 HydrophobicContact CG2-CD2 3.89Å; T36-W38 HydrophobicContact CG2-CG 4.3Å; T36-W38 HydrophobicContact CG2-CH2 4.36Å; T36-W38 HydrophobicContact CG2-CZ2 3.66Å; T36-V44 HydrophobicContact CG2-CG1 4.13Å; T36-V44 HydrophobicContact CG2-CG2 4.13Å; T36-R47 HydrophobicContact CG2-CG 4.06Å
37V97.2Very high96Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-107134.3168.9172.90000109.5L25 I26 A27 V45 G46 L69 P82 L85L25-V37 HydrophobicContact CB-CG1 4.4Å; L25-V37 HydrophobicContact CD1-CG1 4.39Å; L25-V37 HydrophobicContact CD2-CG1 4.33Å; I26-V37 CarbonylContact O-C 3.46Å; I26-V37 WeakPolarHBondContact O-CA 3.46Å; A27-V37 HydrophobicContact CB-CG2 4.25Å; V37-V45 HydrophobicContact CG1-CB 4.14Å; V37-V45 HydrophobicContact CG1-CG2 4.43Å; V37-V45 PolarHBondContact O-N 2.99Å; V37-G46 PolarHBondContact N-O 3.49Å; V37-G46 PolarHBondContact O-N 2.92Å; V37-L69 HydrophobicContact CG2-CD2 3.98Å; V37-P82 HydrophobicContact CG1-CB 4.45Å; V37-P82 HydrophobicContact CG2-CB 4.31Å; V37-L85 HydrophobicContact CB-CD1 3.98Å; V37-L85 HydrophobicContact CG2-CD1 3.71Å; V37-L85 HydrophobicContact CG2-CD2 4.3Å; V37-L85 HydrophobicContact CG2-CG 4.24Å
38W96.8Very high95.9Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-119.2149.7-175.5-44.177.1000110.4W5 S6 G8 L25 I26 S28 T36 A43 V44 L371W5-W38 HydrophobicContact CB-CE3 4.22Å; W5-W38 HydrophobicContact CB-CH2 4.41Å; W5-W38 HydrophobicContact CB-CZ3 3.93Å; W5-W38 HydrophobicContact CE3-CB 4.27Å; W5-W38 HydrophobicContact CE3-CD2 4.32Å; W5-W38 HydrophobicContact CE3-CE3 4.37Å; W5-W38 HydrophobicContact CE3-CG 4.3Å; W5-W38 HydrophobicContact CZ3-CB 4.09Å; W5-W38 HydrophobicContact CZ3-CG 4.46Å; S6-W38 WeakPolarHBondContact O-CZ3 3.44Å; G8-W38 VanDerWaalsContact CA-CH2 3.4Å; L25-W38 WeakPolarHBondContact CA-O 3.06Å; I26-W38 HydrophobicContact CB-CB 4.25Å; I26-W38 PolarHBondContact N-O 2.89Å; I26-W38 PolarHBondContact O-N 2.85Å; S28-W38 PolarHBondContact OG-NE1 3.5Å; T36-W38 HydrophobicContact CG2-CD2 3.89Å; T36-W38 HydrophobicContact CG2-CG 4.3Å; T36-W38 HydrophobicContact CG2-CH2 4.36Å; T36-W38 HydrophobicContact CG2-CZ2 3.66Å; W38-A43 CarbonylContact C-O 3.54Å; W38-A43 VanDerWaalsContact CA-O 3.25Å; W38-A43 WeakPolarHBondContact CA-O 3.35Å; W38-V44 HydrophobicContact CE3-CG2 3.8Å; W38-V44 HydrophobicContact CH2-CG2 4.25Å; W38-V44 HydrophobicContact CZ3-CG2 3.65Å; W38-L371 HydrophobicContact CZ2-CD1 4.21Å
39T94.5Very high95.7Very high33 Ų3338.6 Ų38.620%0.20222%0.216CC..  trans-73.5165.4162.780.60000109.9E41 G42 A43 V45T39-E41 VanDerWaalsContact CB-OE2 3.25Å; T39-E41 WeakPolarHBondContact CB-OE2 3.42Å; T39-E41 PolarHBondContact O-N 3.34Å; T39-E41 WeakPolarHBondContact OG1-CB 3.42Å; T39-E41 PolarHBondContact OG1-N 3.11Å; T39-E41 VanDerWaalsContact OG1-N 3.12Å; T39-E41 PolarHBondContact OG1-OE2 3.08Å; T39-G42 PolarHBondContact O-N 3.11Å; T39-A43 HydrophobicContact CG2-CB 4.13Å; T39-A43 PolarHBondContact N-O 2.91Å; T39-A43 PolarHBondContact OG1-N 3.49Å; T39-V45 HydrophobicContact CG2-CG2 3.4Å
40R92.5Very high95.6Very high100 Ų10038.8 Ų38.838%0.37722%0.217SC..THydrogen-bonded Turntrans-63.2-7.7171.770.1-166.6-176.9-172.10.3114.4G24 L356 K357G24-R40 WeakPolarHBondContact O-CB 3.42Å; G24-R40 PolarHBondContact O-N 3.29Å; R40-L356 HydrophobicContact CB-CD2 3.94Å; R40-K357 HydrophobicContact CG-CG 4.09Å
41E93Very high95Very high89 Ų8943.7 Ų43.742%0.41625%0.249SC..THydrogen-bonded Turntrans-92.8-9.4173.3-62.561.6-140.100112.7T39 K357T39-E41 VanDerWaalsContact CB-OE2 3.25Å; T39-E41 WeakPolarHBondContact CB-OE2 3.42Å; T39-E41 PolarHBondContact O-N 3.34Å; T39-E41 WeakPolarHBondContact OG1-CB 3.42Å; T39-E41 PolarHBondContact OG1-N 3.11Å; T39-E41 VanDerWaalsContact OG1-N 3.12Å; T39-E41 PolarHBondContact OG1-OE2 3.08Å; E41-K357 VanDerWaalsContact CG-CE 3.44Å; E41-K357 WeakPolarHBondContact OE1-CE 3.15Å
42G94.5Very high94.5Very high16 Ų1642.3 Ų42.317%0.16526%0.258CS..SBendtrans86.712.5-174.500000114.9T39T39-G42 PolarHBondContact O-N 3.11Å
43A95.4Very high94.3Very high53 Ų5346.9 Ų46.944%0.43827%0.274SS..  trans-81.3137.8172.100000110.2W38 T39 V45W38-A43 CarbonylContact C-O 3.54Å; W38-A43 VanDerWaalsContact CA-O 3.25Å; W38-A43 WeakPolarHBondContact CA-O 3.35Å; T39-A43 HydrophobicContact CG2-CB 4.13Å; T39-A43 PolarHBondContact N-O 2.91Å; T39-A43 PolarHBondContact OG1-N 3.49Å; A43-V45 PolarHBondContact O-N 3.32Å
44V96Very high94.4Very high54 Ų5451.7 Ų51.733%0.32730%0.296SS..EExtended strand (participates in β ladder)trans-70.2122.9174.6173.10000109.8T36 W38 R47T36-V44 HydrophobicContact CG2-CG1 4.13Å; T36-V44 HydrophobicContact CG2-CG2 4.13Å; W38-V44 HydrophobicContact CE3-CG2 3.8Å; W38-V44 HydrophobicContact CH2-CG2 4.25Å; W38-V44 HydrophobicContact CZ3-CG2 3.65Å; V44-R47 HydrophobicContact CG1-CG 3.71Å; V44-R47 VanDerWaalsContact CG2-NH2 3.28Å
45V94.1Very high94.4Very high67 Ų6752.4 Ų52.441%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-86.8-40.4173179.40000110.6L25 V37 T39 A43L25-V45 HydrophobicContact CD2-CG2 4.28Å; V37-V45 HydrophobicContact CG1-CB 4.14Å; V37-V45 HydrophobicContact CG1-CG2 4.43Å; V37-V45 PolarHBondContact O-N 2.99Å; T39-V45 HydrophobicContact CG2-CG2 3.4Å; A43-V45 PolarHBondContact O-N 3.32Å
46G94.4Very high94.5Very high19 Ų1952.3 Ų52.320%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-167.6159.9179.900000111.8V37V37-G46 PolarHBondContact N-O 3.49Å; V37-G46 PolarHBondContact O-N 2.92Å
47R95.3Very high94.5Very high123 Ų12353.2 Ų53.246%0.46431%0.306SS..EExtended strand (participates in β ladder)trans-136.9147.7176.3-58.2-176.1-167.2163.96.3109.8E7 G8 V35 T36 V44E7-R47 VanDerWaalsContact C-NH2 3.33Å; E7-R47 PolarHBondContact O-NH1 3.37Å; E7-R47 PolarHBondContact O-NH2 3.1Å; G8-R47 WeakPolarHBondContact O-CD 3.45Å; G8-R47 PolarHBondContact O-NE 3.28Å; V35-R47 CarbonylContact O-C 3.55Å; V35-R47 VanDerWaalsContact O-CA 3.3Å; V35-R47 WeakPolarHBondContact O-CA 3.4Å; T36-R47 HydrophobicContact CG2-CG 4.06Å; V44-R47 HydrophobicContact CG1-CG 3.71Å; V44-R47 VanDerWaalsContact CG2-NH2 3.28Å
48L95.4Very high94.5Very high43 Ų4353.4 Ų53.423%0.22531%0.308CS..EExtended strand (participates in β ladder)trans-146.1142.9176.5178.268.4000108.8V35 L50 F80 L85V35-L48 PolarHBondContact N-O 2.83Å; V35-L48 PolarHBondContact O-N 3.2Å; L48-L50 HydrophobicContact CD2-CD2 4.14Å; L48-F80 HydrophobicContact CD2-CD1 4.05Å; L48-F80 HydrophobicContact CD2-CE1 3.22Å; L48-F80 HydrophobicContact CD2-CZ 3.61Å; L48-L85 HydrophobicContact CB-CB 4.45Å
49A95.3Very high94.6Very high56 Ų5653.9 Ų53.946%0.46331%0.311SS..EExtended strand (participates in β ladder)trans-105.4125.9164.300000108.5G33G33-A49 WeakPolarHBondContact O-CA 3.45Å
50L94.1Very high94.6Very high4 Ų453.6 Ų53.62%0.02131%0.311CS..  trans-70.3144.3178.6-65176.7000111G33 V35 L48 G52 Q53 V56 V71 H73 F80G33-L50 PolarHBondContact O-N 2.88Å; V35-L50 HydrophobicContact CG2-CD1 4.21Å; V35-L50 HydrophobicContact CG2-CG 4.19Å; L48-L50 HydrophobicContact CD2-CD2 4.14Å; L50-G52 PolarHBondContact O-N 3.12Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Q53 PolarHBondContact O-NE2 3.1Å; L50-V56 HydrophobicContact CD1-CG2 3.76Å; L50-V71 HydrophobicContact CD1-CG1 4.23Å; L50-H73 HydrophobicContact CD1-CB 3.65Å; L50-F80 HydrophobicContact CD2-CE2 4.04Å; L50-F80 HydrophobicContact CD2-CZ 3.49Å; L50-F80 VanDerWaalsContact CD2-CZ 3.49Å
51P85.3Confident94.8Very high103 Ų10349.4 Ų49.467%0.66930%0.295SS*.THydrogen-bonded Turntrans-66.5130.8174.429.1-33.3000109.6
52G86.4Confident94.7Very high57 Ų5745.3 Ų45.359%0.58828%0.277SS*.THydrogen-bonded Turntrans111.1-23.6-178.800000113.7L50 E54L50-G52 PolarHBondContact O-N 3.12Å; G52-E54 PolarHBondContact O-N 3.21Å
53Q92.8Very high94.3Very high118 Ų11847.6 Ų47.655%0.55129%0.288SS*.  trans58.923.7-178.8-53.7-74.4-90.900113.4G32 L50G32-Q53 WeakPolarHBondContact CA-O 3.35Å; G32-Q53 VanDerWaalsContact O-CD 3.28Å; G32-Q53 PolarHBondContact O-NE2 3.37Å; G32-Q53 PolarHBondContact O-OE1 2.82Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Q53 PolarHBondContact O-NE2 3.1Å
54E96.8Very high93.6Very high101 Ų10148.1 Ų48.147%0.47229%0.293SS..  trans-72.8148.6169.3-55.5-61.7156.800109.5G33 G52 H73G33-E54 WeakPolarHBondContact CA-O 3.43Å; G33-E54 PolarHBondContact N-O 3.09Å; G52-E54 PolarHBondContact O-N 3.21Å; E54-H73 HydrophobicContact CB-CB 4.42Å
55D97.7Very high92.5Very high62 Ų6247.3 Ų47.333%0.33229%0.292SS..  trans-66.8144.2-172.7-71.8-14.2000112.7L14 E31 G32 T57 H73L14-D55 HydrophobicContact CD1-CB 3.68Å; E31-D55 WeakPolarHBondContact CA-OD1 2.98Å; G32-D55 PolarHBondContact N-OD1 3.21Å; D55-T57 HydrophobicContact CB-CG2 4.37Å; D55-T57 PolarHBondContact O-N 3.27Å; D55-H73 WeakPolarHBondContact O-CA 3.41Å
56V98.3Very high91.4Very high0 Ų047.2 Ų47.20%029%0.294CS..  trans-93.490.3174.9-176.70000110.2L14 C15 A30 V35 L50 V71 S72L14-V56 WeakPolarHBondContact CB-O 3.37Å; C15-V56 PolarHBondContact SG-O 3.26Å; A30-V56 PolarHBondContact O-N 3.06Å; A30-V56 VanDerWaalsContact O-N 3.09Å; V35-V56 HydrophobicContact CG2-CG1 4.36Å; V35-V56 HydrophobicContact CG2-CG2 3.87Å; L50-V56 HydrophobicContact CD1-CG2 3.76Å; V56-V71 HydrophobicContact CB-CG1 4.41Å; V56-V71 HydrophobicContact CG1-CG1 3.26Å; V56-V71 HydrophobicContact CG2-CG1 4.24Å; V56-S72 WeakPolarHBondContact CA-O 3.47Å
57T98.1Very high90.8Very high20 Ų2047.5 Ų47.512%0.12330%0.295CS..  trans-82.1-20.5-172.355.70000114.8C15 D55 S72 E99 I100C15-T57 WeakPolarHBondContact CB-O 3.42Å; D55-T57 HydrophobicContact CB-CG2 4.37Å; D55-T57 PolarHBondContact O-N 3.27Å; T57-S72 PolarHBondContact OG1-OG 3.33Å; T57-E99 HydrophobicContact CG2-CG 4.42Å; T57-I100 WeakPolarHBondContact CB-O 3.32Å; T57-I100 WeakPolarHBondContact CG2-O 3.42Å; T57-I100 PolarHBondContact OG1-O 3.38Å
58S98.2Very high90.7Very high4 Ų444.8 Ų44.83%0.02829%0.287CS..  trans-154.9138.8-177.3-154.40000112.7C15 V71 S72 V103C15-S58 VanDerWaalsContact SG-C 3.5Å; C15-S58 VanDerWaalsContact SG-CA 3.54Å; C15-S58 PolarHBondContact SG-N 3Å; S58-V71 WeakPolarHBondContact O-CA 3.49Å; S58-S72 WeakPolarHBondContact CA-OG 3.29Å; S58-S72 WeakPolarHBondContact CB-OG 3.2Å; S58-S72 PolarHBondContact N-OG 3.04Å; S58-S72 PolarHBondContact O-N 3.22Å; S58-S72 PolarHBondContact O-OG 3.08Å; S58-V103 PolarHBondContact OG-N 3.01Å; S58-V103 VanDerWaalsContact OG-N 3.1Å
59A97.7Very high90.7Very high9 Ų942.7 Ų42.77%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-135.5126.7177.700000110.3A27 L69 Y70A27-A59 HydrophobicContact CB-CB 4.46Å; A59-L69 HydrophobicContact CB-CD1 4.37Å; A59-Y70 CarbonylContact C-O 3.58Å; A59-Y70 WeakPolarHBondContact CA-O 3.38Å
60S96.4Very high90.8Very high28 Ų2840.2 Ų40.220%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-138.9127.8-177.3-163.90000111.9Y70 L105S60-Y70 PolarHBondContact N-O 2.96Å; S60-Y70 PolarHBondContact O-N 2.99Å; S60-L105 WeakPolarHBondContact OG-CD1 3.39Å
61F95Very high91Very high11 Ų1140 Ų405%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-79.9143.2172-73.4-93.7000110.1G17 L25 A27 P63 L69 P82G17-F61 WeakPolarHBondContact O-CE2 3.44Å; L25-F61 HydrophobicContact CB-CE1 4.25Å; L25-F61 HydrophobicContact CB-CZ 4.13Å; A27-F61 HydrophobicContact CB-CE2 3.61Å; A27-F61 HydrophobicContact CB-CZ 3.76Å; F61-P63 WeakPolarHBondContact O-CD 2.94Å; F61-L69 HydrophobicContact CD1-CB 4.41Å; F61-L69 HydrophobicContact CD1-CD1 4.31Å; F61-L69 HydrophobicContact CD2-CD1 3.96Å; F61-L69 HydrophobicContact CE1-CB 4.32Å; F61-L69 HydrophobicContact CE1-CD1 4.23Å; F61-L69 HydrophobicContact CE2-CD1 3.86Å; F61-L69 HydrophobicContact CG-CD1 4.2Å; F61-L69 HydrophobicContact CZ-CD1 4.01Å; F61-P82 HydrophobicContact CD1-CG 4.48Å; F61-P82 HydrophobicContact CE1-CB 3.78Å; F61-P82 HydrophobicContact CE1-CG 3.91Å; F61-P82 HydrophobicContact CZ-CB 4.46Å
62S91.6Very high91.6Very high3 Ų335.1 Ų35.12%0.02122%0.222CC..  trans-68.1128173.1176.70000111A64 A65 H68S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.83Å; S62-A64 PolarHBondContact OG-N 3.37Å; S62-A65 WeakPolarHBondContact CB-O 3.2Å; S62-A65 PolarHBondContact OG-N 3.35Å; S62-A65 VanDerWaalsContact OG-N 3.1Å; S62-H68 PolarHBondContact N-O 3.37Å
63P85.7Confident92.2Very high64 Ų6432.9 Ų32.942%0.41620%0.197SC..SBendtrans-70.4-25.8175.428.5-34000112.6F61 L105 N106F61-P63 WeakPolarHBondContact O-CD 2.94Å; P63-L105 HydrophobicContact CG-CB 4.44Å; P63-N106 VanDerWaalsContact CG-O 3.32Å; P63-N106 WeakPolarHBondContact CG-O 3.38Å
64A80.6Confident92.4Very high65 Ų6527.8 Ų27.854%0.53718%0.175SC..SBendtrans-93.9-27.9-177.800000113.2S62 T108S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.83Å; S62-A64 PolarHBondContact OG-N 3.37Å; A64-T108 WeakPolarHBondContact CB-O 3.37Å
65A74.4Confident92.4Very high36 Ų3626.4 Ų26.430%0.29817%0.171SC..  trans-127.297.9-178.500000110.2S62 A67 H68S62-A65 WeakPolarHBondContact CB-O 3.2Å; S62-A65 PolarHBondContact OG-N 3.35Å; S62-A65 VanDerWaalsContact OG-N 3.1Å; A65-A67 PolarHBondContact O-N 2.62Å; A65-H68 PolarHBondContact O-N 2.74Å; A65-H68 VanDerWaalsContact O-N 3.13Å
66S70.6Confident92.4Very high65 Ų6523.6 Ų23.646%0.45516%0.156SC..THydrogen-bonded Turntrans-59.8-7.8-177.8640000115
67A81.4Confident92.4Very high26 Ų2623.6 Ų23.622%0.21516%0.156CC..THydrogen-bonded Turntrans-98.52.8-178.700000114.4A65 D81 P82A65-A67 PolarHBondContact O-N 2.62Å; A67-D81 WeakPolarHBondContact O-CA 3.44Å; A67-P82 WeakPolarHBondContact O-CD 3.48Å
68H92.8Very high92.4Very high65 Ų6522.8 Ų22.830%0.30115%0.152SC..  trans-120.7129179.9-65150.8000112.6S62 A65 Y70 V79 F80S62-H68 PolarHBondContact N-O 3.37Å; A65-H68 PolarHBondContact O-N 2.74Å; A65-H68 VanDerWaalsContact O-N 3.13Å; H68-Y70 HydrophobicContact CB-CD2 4.48Å; H68-Y70 HydrophobicContact CB-CE2 3.75Å; H68-V79 HydrophobicContact CB-CG1 3.91Å; H68-F80 WeakPolarHBondContact CA-O 3.31Å
69L95.8Very high92.3Very high0 Ų022.6 Ų22.60%015%0.15CC..EExtended strand (participates in β ladder)trans-113.4123.1171.117265.2000108.8A27 V37 A59 F61 V71 V79 F80 P82A27-L69 HydrophobicContact CB-CD1 3.65Å; A27-L69 HydrophobicContact CB-CD2 3.59Å; A27-L69 HydrophobicContact CB-CG 4.28Å; V37-L69 HydrophobicContact CG2-CD2 3.98Å; A59-L69 HydrophobicContact CB-CD1 4.37Å; F61-L69 HydrophobicContact CD1-CB 4.41Å; F61-L69 HydrophobicContact CD1-CD1 4.31Å; F61-L69 HydrophobicContact CD2-CD1 3.96Å; F61-L69 HydrophobicContact CE1-CB 4.32Å; F61-L69 HydrophobicContact CE1-CD1 4.23Å; F61-L69 HydrophobicContact CE2-CD1 3.86Å; F61-L69 HydrophobicContact CG-CD1 4.2Å; F61-L69 HydrophobicContact CZ-CD1 4.01Å; L69-V71 HydrophobicContact CD1-CG2 4.42Å; L69-V71 HydrophobicContact CD2-CG2 4Å; L69-V71 HydrophobicContact CG-CG2 3.77Å; L69-V79 CarbonylContact O-C 3.57Å; L69-V79 VanDerWaalsContact O-CA 3.31Å; L69-V79 WeakPolarHBondContact O-CA 3.5Å; L69-F80 HydrophobicContact CB-CB 4.47Å; L69-F80 PolarHBondContact N-O 3.5Å; L69-F80 PolarHBondContact O-N 3.28Å; L69-P82 HydrophobicContact CB-CB 4.29Å
70Y97.6Very high92.2Very high3 Ų322.1 Ų22.11%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-99.8127.4178.1-65.7-110.1000108.3A59 S60 H68 V77 V79 F92 L105 V112 I126A59-Y70 CarbonylContact C-O 3.58Å; A59-Y70 WeakPolarHBondContact CA-O 3.38Å; S60-Y70 PolarHBondContact N-O 2.96Å; S60-Y70 PolarHBondContact O-N 2.99Å; H68-Y70 HydrophobicContact CB-CD2 4.48Å; H68-Y70 HydrophobicContact CB-CE2 3.75Å; Y70-V77 HydrophobicContact CD1-CG1 4.09Å; Y70-V79 HydrophobicContact CD1-CG2 3.68Å; Y70-V79 HydrophobicContact CE1-CG1 4.41Å; Y70-V79 HydrophobicContact CE1-CG2 3.64Å; Y70-V79 HydrophobicContact CE2-CG1 4.22Å; Y70-V79 HydrophobicContact CG-CG2 4.33Å; Y70-F92 HydrophobicContact CD1-CE2 4.22Å; Y70-F92 AromaticContact CE1-CE2 3.88Å; Y70-F92 HydrophobicContact CE1-CE2 3.88Å; Y70-L105 HydrophobicContact CD2-CD1 3.79Å; Y70-L105 HydrophobicContact CD2-CD2 3.88Å; Y70-L105 HydrophobicContact CD2-CG 4.42Å; Y70-L105 HydrophobicContact CE1-CD2 4.21Å; Y70-L105 HydrophobicContact CE2-CD1 4.34Å; Y70-L105 HydrophobicContact CE2-CD2 3.56Å; Y70-L105 HydrophobicContact CG-CD1 4.03Å; Y70-L105 HydrophobicContact CG-CD2 4.39Å; Y70-V112 HydrophobicContact CD1-CG2 3.78Å; Y70-V112 HydrophobicContact CE1-CG2 3.6Å; Y70-I126 HydrophobicContact CE1-CD1 4.08Å; Y70-I126 HydrophobicContact CE1-CG1 4.42Å; Y70-I126 WeakPolarHBondContact OH-CG2 3.44Å
71V98.2Very high92.1Very high1 Ų122.6 Ų22.61%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-129.9120-173-177.60000108.6V35 L50 V56 S58 L69 V77 S78 F80V35-V71 HydrophobicContact CG1-CG2 4.47Å; V35-V71 HydrophobicContact CG2-CG1 3.86Å; L50-V71 HydrophobicContact CD1-CG1 4.23Å; V56-V71 HydrophobicContact CB-CG1 4.41Å; V56-V71 HydrophobicContact CG1-CG1 3.26Å; V56-V71 HydrophobicContact CG2-CG1 4.24Å; S58-V71 WeakPolarHBondContact O-CA 3.49Å; L69-V71 HydrophobicContact CD1-CG2 4.42Å; L69-V71 HydrophobicContact CD2-CG2 4Å; L69-V71 HydrophobicContact CG-CG2 3.77Å; V71-V77 CarbonylContact O-C 3.5Å; V71-V77 WeakPolarHBondContact O-CA 3.5Å; V71-S78 PolarHBondContact N-O 2.79Å; V71-S78 PolarHBondContact O-N 3.02Å; V71-F80 HydrophobicContact CB-CD2 4.31Å; V71-F80 HydrophobicContact CB-CE2 4.09Å; V71-F80 HydrophobicContact CG2-CD2 3.8Å; V71-F80 HydrophobicContact CG2-CE2 4.03Å
72S98.2Very high91.9Very high0 Ų022.1 Ų22.10%015%0.145CC..EExtended strand (participates in β ladder)trans-82.2146.3172.955.90000111.7V56 T57 S58 A76 I100V56-S72 WeakPolarHBondContact CA-O 3.47Å; T57-S72 PolarHBondContact OG1-OG 3.33Å; S58-S72 WeakPolarHBondContact CA-OG 3.29Å; S58-S72 WeakPolarHBondContact CB-OG 3.2Å; S58-S72 PolarHBondContact N-OG 3.04Å; S58-S72 PolarHBondContact O-N 3.22Å; S58-S72 PolarHBondContact O-OG 3.08Å; S72-A76 WeakPolarHBondContact CA-O 3.36Å; S72-I100 VanDerWaalsContact CB-CG2 3.44Å
73H97.6Very high91.7Very high10 Ų1028.4 Ų28.45%0.04617%0.168CC..EExtended strand (participates in β ladder)trans-160.2127.4171.560.9107.2000108.2L50 E54 D55 D75 A76 S78L50-H73 HydrophobicContact CD1-CB 3.65Å; E54-H73 HydrophobicContact CB-CB 4.42Å; D55-H73 WeakPolarHBondContact O-CA 3.41Å; H73-D75 PolarHBondContact O-N 2.89Å; H73-A76 PolarHBondContact N-O 3.37Å; H73-A76 PolarHBondContact O-N 2.88Å; H73-S78 PolarHBondContact NE2-OG 3.04Å
74G97.4Very high91.8Very high10 Ų1027.9 Ų27.910%0.10317%0.166CC..THydrogen-bonded Turntrans59.4-132.3-176.100000111.3A76 E99 I100G74-A76 VanDerWaalsContact C-N 3.34Å; G74-E99 WeakPolarHBondContact CA-OE2 3.29Å; G74-E99 PolarHBondContact N-OE1 3.02Å; G74-E99 VanDerWaalsContact N-OE1 3.11Å; G74-I100 WeakPolarHBondContact O-CG1 3.43Å; G74-I100 PolarHBondContact O-N 3.28Å
75D97.3Very high92.1Very high73 Ų7325.8 Ų25.839%0.3915%0.146SC..THydrogen-bonded Turntrans-89.87.9174.677.4-11.7000114H73 G94 A95 G96H73-D75 PolarHBondContact O-N 2.89Å; D75-G94 CarbonylContact O-C 3.59Å; D75-G94 PolarHBondContact O-N 3.37Å; D75-A95 PolarHBondContact O-N 3.15Å; D75-G96 PolarHBondContact O-N 3.02Å
76A97.6Very high92.7Very high2 Ų233 Ų332%0.01717%0.171CC..EExtended strand (participates in β ladder)trans-119.4156.5-168.200000113.4S72 H73 G74 F92 I100S72-A76 WeakPolarHBondContact CA-O 3.36Å; H73-A76 PolarHBondContact N-O 3.37Å; H73-A76 PolarHBondContact O-N 2.88Å; G74-A76 VanDerWaalsContact C-N 3.34Å; A76-F92 WeakPolarHBondContact CA-O 3.13Å; A76-I100 WeakPolarHBondContact O-CD1 3.32Å
77V98.3Very high93.5Very high0 Ų031.2 Ų31.20%016%0.162CC..EExtended strand (participates in β ladder)trans-122.5115.9169.8179.10000109.2Y70 V71 F92 A95 I100 V103 V114Y70-V77 HydrophobicContact CD1-CG1 4.09Å; V71-V77 CarbonylContact O-C 3.5Å; V71-V77 WeakPolarHBondContact O-CA 3.5Å; V77-F92 HydrophobicContact CB-CB 4.39Å; V77-F92 HydrophobicContact CB-CD2 4.12Å; V77-F92 HydrophobicContact CG1-CD2 4.26Å; V77-F92 PolarHBondContact N-O 3.07Å; V77-F92 VanDerWaalsContact N-O 3.13Å; V77-F92 WeakPolarHBondContact O-CB 2.95Å; V77-F92 PolarHBondContact O-N 3.38Å; V77-A95 HydrophobicContact CB-CB 4.32Å; V77-A95 HydrophobicContact CG2-CB 3.85Å; V77-I100 HydrophobicContact CG2-CD1 3.8Å; V77-V103 HydrophobicContact CG2-CG1 3.92Å; V77-V114 HydrophobicContact CG2-CG2 4.07Å
78S97.4Very high94.1Very high3 Ų333.1 Ų33.12%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-92.4138.8173.4-70.40000110.5V71 H73V71-S78 PolarHBondContact N-O 2.79Å; V71-S78 PolarHBondContact O-N 3.02Å; H73-S78 PolarHBondContact NE2-OG 3.04Å
79V97Very high94.2Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-108.4133.2176.3-170.80000109.3H68 L69 Y70 P88 V89 E90 F92H68-V79 HydrophobicContact CB-CG1 3.91Å; L69-V79 CarbonylContact O-C 3.57Å; L69-V79 VanDerWaalsContact O-CA 3.31Å; L69-V79 WeakPolarHBondContact O-CA 3.5Å; Y70-V79 HydrophobicContact CD1-CG2 3.68Å; Y70-V79 HydrophobicContact CE1-CG1 4.41Å; Y70-V79 HydrophobicContact CE1-CG2 3.64Å; Y70-V79 HydrophobicContact CE2-CG1 4.22Å; Y70-V79 HydrophobicContact CG-CG2 4.33Å; V79-P88 CarbonylContact O-C 3.54Å; V79-P88 WeakPolarHBondContact O-CA 3.47Å; V79-V89 HydrophobicContact CB-CG2 3.93Å; V79-V89 HydrophobicContact CG1-CG2 3.73Å; V79-V89 VanDerWaalsContact O-CG2 3.31Å; V79-V89 WeakPolarHBondContact O-CG2 3.44Å; V79-V89 PolarHBondContact O-N 3.38Å; V79-E90 HydrophobicContact CB-CB 4.08Å; V79-E90 HydrophobicContact CG2-CB 4.05Å; V79-E90 PolarHBondContact N-O 2.84Å; V79-F92 HydrophobicContact CG2-CD2 4.34Å; V79-F92 HydrophobicContact CG2-CE2 3.57Å; V79-F92 HydrophobicContact CG2-CZ 3.69Å
80F96.1Very high94.1Very high0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans-125153.1-178.9-64.9-83.5000112.3L48 L50 H68 L69 V71 P82 L85 G87 P88L48-F80 HydrophobicContact CD2-CD1 4.05Å; L48-F80 HydrophobicContact CD2-CE1 3.22Å; L48-F80 HydrophobicContact CD2-CZ 3.61Å; L50-F80 HydrophobicContact CD2-CE2 4.04Å; L50-F80 HydrophobicContact CD2-CZ 3.49Å; L50-F80 VanDerWaalsContact CD2-CZ 3.49Å; H68-F80 WeakPolarHBondContact CA-O 3.31Å; L69-F80 HydrophobicContact CB-CB 4.47Å; L69-F80 PolarHBondContact N-O 3.5Å; L69-F80 PolarHBondContact O-N 3.28Å; V71-F80 HydrophobicContact CB-CD2 4.31Å; V71-F80 HydrophobicContact CB-CE2 4.09Å; V71-F80 HydrophobicContact CG2-CD2 3.8Å; V71-F80 HydrophobicContact CG2-CE2 4.03Å; F80-P82 WeakPolarHBondContact O-CD 3.32Å; F80-L85 HydrophobicContact CB-CD2 3.9Å; F80-L85 HydrophobicContact CD1-CD2 4.1Å; F80-L85 HydrophobicContact CG-CD2 4.02Å; F80-G87 WeakPolarHBondContact CD1-O 3.18Å; F80-G87 VanDerWaalsContact CE1-C 3.43Å; F80-P88 HydrophobicContact CE1-CB 3.98Å; F80-P88 HydrophobicContact CE1-CG 4.49Å; F80-P88 VanDerWaalsContact CE1-N 3.31Å; F80-P88 HydrophobicContact CZ-CB 4.1Å
81D93.4Very high94.1Very high38 Ų3839.2 Ų39.220%0.20321%0.208CC..  trans-79.6113154.8-173.4-26.8000108A67 R83 S84A67-D81 WeakPolarHBondContact O-CA 3.44Å; D81-R83 PolarHBondContact O-N 2.75Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 WeakPolarHBondContact OD1-CB 3.49Å; D81-R83 IonicContact OD1-CZ 3.84Å; D81-R83 PolarHBondContact OD1-N 2.79Å; D81-R83 IonicContact OD1-NE 3.65Å; D81-R83 PolarHBondContact OD1-NE 3.43Å; D81-R83 VanDerWaalsContact OD1-NE 3.07Å; D81-R83 IonicContact OD1-NH2 2.83Å; D81-R83 IonicContact OD2-CZ 3.65Å; D81-R83 IonicContact OD2-NE 3.82Å; D81-R83 IonicContact OD2-NH2 3.07Å; D81-R83 PolarHBondContact OD2-NH2 3.13Å; D81-S84 CarbonylContact O-C 3.59Å; D81-S84 PolarHBondContact O-N 2.84Å
82P91.6Very high94Very high1 Ų139.8 Ų39.81%0.00621%0.211CC..THydrogen-bonded Turntrans-65.3-16.4-176.328.9-35.6000113L25 V37 F61 A67 L69 F80L25-P82 HydrophobicContact CD1-CB 3.98Å; L25-P82 HydrophobicContact CD1-CG 4.1Å; V37-P82 HydrophobicContact CG1-CB 4.45Å; V37-P82 HydrophobicContact CG2-CB 4.31Å; F61-P82 HydrophobicContact CD1-CG 4.48Å; F61-P82 HydrophobicContact CE1-CB 3.78Å; F61-P82 HydrophobicContact CE1-CG 3.91Å; F61-P82 HydrophobicContact CZ-CB 4.46Å; A67-P82 WeakPolarHBondContact O-CD 3.48Å; L69-P82 HydrophobicContact CB-CB 4.29Å; F80-P82 WeakPolarHBondContact O-CD 3.32Å
83R86.9Confident93.9Very high134 Ų13448.1 Ų48.151%0.50624%0.242SC..THydrogen-bonded Turntrans-86.1-12.2175.8-55.6164.5-59.8177.47.3112.2L25 D81L25-R83 HydrophobicContact CD1-CG 4.27Å; D81-R83 PolarHBondContact O-N 2.75Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 WeakPolarHBondContact OD1-CB 3.49Å; D81-R83 IonicContact OD1-CZ 3.84Å; D81-R83 PolarHBondContact OD1-N 2.79Å; D81-R83 IonicContact OD1-NE 3.65Å; D81-R83 PolarHBondContact OD1-NE 3.43Å; D81-R83 VanDerWaalsContact OD1-NE 3.07Å; D81-R83 IonicContact OD1-NH2 2.83Å; D81-R83 IonicContact OD2-CZ 3.65Å; D81-R83 IonicContact OD2-NE 3.82Å; D81-R83 IonicContact OD2-NH2 3.07Å; D81-R83 PolarHBondContact OD2-NH2 3.13Å
84S86.7Confident93.8Very high53 Ų5348.7 Ų48.737%0.37125%0.251SS..  trans-147.282.4177.9-153.10000111.6D81 K86D81-S84 CarbonylContact O-C 3.59Å; D81-S84 PolarHBondContact O-N 2.84Å; S84-K86 PolarHBondContact O-N 2.83Å
85L88.8Confident93.8Very high22 Ų2248.3 Ų48.312%0.11525%0.246CC..  trans-73.556.8175.9-69176.7000113V37 L48 F80V37-L85 HydrophobicContact CB-CD1 3.98Å; V37-L85 HydrophobicContact CG2-CD1 3.71Å; V37-L85 HydrophobicContact CG2-CD2 4.3Å; V37-L85 HydrophobicContact CG2-CG 4.24Å; L48-L85 HydrophobicContact CB-CB 4.45Å; F80-L85 HydrophobicContact CB-CD2 3.9Å; F80-L85 HydrophobicContact CD1-CD2 4.1Å; F80-L85 HydrophobicContact CG-CD2 4.02Å
86K85.3Confident93.9Very high188 Ų18844.9 Ų44.982%0.81723%0.229SC*.SBendtrans-88.6-21.9176.8-68.1-177.8-179.8178.10113.2S84S84-K86 PolarHBondContact O-N 2.83Å
87G87.9Confident93.9Very high27 Ų2747.8 Ų47.828%0.27824%0.242SC..SBendtrans164.7167.5-177.400000110.9F80F80-G87 WeakPolarHBondContact CD1-O 3.18Å; F80-G87 VanDerWaalsContact CE1-C 3.43Å
88P93.8Very high93.9Very high66 Ų6652.8 Ų52.843%0.42927%0.265SS..  trans-68.4136.4-179.626.8-32.4000110.8V79 F80 E90V79-P88 CarbonylContact O-C 3.54Å; V79-P88 WeakPolarHBondContact O-CA 3.47Å; F80-P88 HydrophobicContact CE1-CB 3.98Å; F80-P88 HydrophobicContact CE1-CG 4.49Å; F80-P88 VanDerWaalsContact CE1-N 3.31Å; F80-P88 HydrophobicContact CZ-CB 4.1Å; P88-E90 WeakPolarHBondContact CB-O 3.28Å
89V94.7Very high93.9Very high81 Ų8155 Ų5549%0.49128%0.275SS..SBendtrans-77.3-31.9169.3-64.60000111.4V79V79-V89 HydrophobicContact CB-CG2 3.93Å; V79-V89 HydrophobicContact CG1-CG2 3.73Å; V79-V89 VanDerWaalsContact O-CG2 3.31Å; V79-V89 WeakPolarHBondContact O-CG2 3.44Å; V79-V89 PolarHBondContact O-N 3.38Å
90E95.1Very high94Very high56 Ų5655 Ų5526%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-140.6150.7170.2-62.5-171127.700109V79 P88 F92 G128V79-E90 HydrophobicContact CB-CB 4.08Å; V79-E90 HydrophobicContact CG2-CB 4.05Å; V79-E90 PolarHBondContact N-O 2.84Å; P88-E90 WeakPolarHBondContact CB-O 3.28Å; E90-F92 HydrophobicContact CB-CD1 4.41Å; E90-F92 HydrophobicContact CB-CE1 3.62Å; E90-F92 HydrophobicContact CB-CZ 3.98Å; E90-F92 HydrophobicContact CG-CE1 4.35Å; E90-F92 VanDerWaalsContact OE2-CZ 3.27Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.41Å; E90-G128 PolarHBondContact OE1-N 2.77Å
91D95.8Very high94.1Very high59 Ų5956.9 Ų56.932%0.31629%0.285SS..EExtended strand (participates in β ladder)trans-134.3115.8177.4-178.213.5000108.6R93D91-R93 IonicContact OD2-CZ 2.94Å; D91-R93 VanDerWaalsContact OD2-CZ 3.26Å; D91-R93 IonicContact OD2-NE 3.65Å; D91-R93 PolarHBondContact OD2-NE 2.84Å; D91-R93 IonicContact OD2-NH2 3.76Å; D91-R93 PolarHBondContact OD2-NH2 3.22Å
92F97.4Very high94.3Very high12 Ų1255.4 Ų55.45%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-101.681.7-178-50-33.3000109.7Y70 A76 V77 V79 E90 A95 L124 I126 G129Y70-F92 HydrophobicContact CD1-CE2 4.22Å; Y70-F92 AromaticContact CE1-CE2 3.88Å; Y70-F92 HydrophobicContact CE1-CE2 3.88Å; A76-F92 WeakPolarHBondContact CA-O 3.13Å; V77-F92 HydrophobicContact CB-CB 4.39Å; V77-F92 HydrophobicContact CB-CD2 4.12Å; V77-F92 HydrophobicContact CG1-CD2 4.26Å; V77-F92 PolarHBondContact N-O 3.07Å; V77-F92 VanDerWaalsContact N-O 3.13Å; V77-F92 WeakPolarHBondContact O-CB 2.95Å; V77-F92 PolarHBondContact O-N 3.38Å; V79-F92 HydrophobicContact CG2-CD2 4.34Å; V79-F92 HydrophobicContact CG2-CE2 3.57Å; V79-F92 HydrophobicContact CG2-CZ 3.69Å; E90-F92 HydrophobicContact CB-CD1 4.41Å; E90-F92 HydrophobicContact CB-CE1 3.62Å; E90-F92 HydrophobicContact CB-CZ 3.98Å; E90-F92 HydrophobicContact CG-CE1 4.35Å; E90-F92 VanDerWaalsContact OE2-CZ 3.27Å; E90-F92 WeakPolarHBondContact OE2-CZ 3.41Å; F92-A95 HydrophobicContact CB-CB 4.26Å; F92-A95 VanDerWaalsContact O-CB 3.27Å; F92-A95 WeakPolarHBondContact O-CB 3.09Å; F92-A95 PolarHBondContact O-N 2.81Å; F92-L124 HydrophobicContact CB-CD2 3.92Å; F92-L124 HydrophobicContact CD2-CD2 4.07Å; F92-L124 HydrophobicContact CG-CD2 4.21Å; F92-I126 HydrophobicContact CD2-CD1 4.41Å; F92-I126 HydrophobicContact CE2-CD1 3.42Å; F92-I126 VanDerWaalsContact CE2-CD1 3.42Å; F92-I126 HydrophobicContact CZ-CD1 3.53Å; F92-G129 VanDerWaalsContact CD1-CA 3.45Å
93R95.9Very high94.6Very high176 Ų17655.8 Ų55.866%0.66428%0.281SS*.THydrogen-bonded Turntrans-71141177-65.7-175.9178.9-89.8-15111.6D91 A95D91-R93 IonicContact OD2-CZ 2.94Å; D91-R93 VanDerWaalsContact OD2-CZ 3.26Å; D91-R93 IonicContact OD2-NE 3.65Å; D91-R93 PolarHBondContact OD2-NE 2.84Å; D91-R93 IonicContact OD2-NH2 3.76Å; D91-R93 PolarHBondContact OD2-NH2 3.22Å; R93-A95 PolarHBondContact O-N 2.96Å
94G95.8Very high95.1Very high22 Ų2250 Ų5023%0.22726%0.261CS..THydrogen-bonded Turntrans63.132.7-172.900000112.2D75 G96 R122D75-G94 CarbonylContact O-C 3.59Å; D75-G94 PolarHBondContact O-N 3.37Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 CarbonylContact C-O 3.56Å; G94-R122 PolarHBondContact O-NH1 2.82Å
95A97.9Very high95.6Very high1 Ų148.3 Ų48.31%0.00825%0.248CC..SBendtrans-65.5-37.8170.200000111D75 V77 F92 R93 I100 V114 R122 L124D75-A95 PolarHBondContact O-N 3.15Å; V77-A95 HydrophobicContact CB-CB 4.32Å; V77-A95 HydrophobicContact CG2-CB 3.85Å; F92-A95 HydrophobicContact CB-CB 4.26Å; F92-A95 VanDerWaalsContact O-CB 3.27Å; F92-A95 WeakPolarHBondContact O-CB 3.09Å; F92-A95 PolarHBondContact O-N 2.81Å; R93-A95 PolarHBondContact O-N 2.96Å; A95-I100 HydrophobicContact CB-CD1 4.15Å; A95-V114 HydrophobicContact CB-CG2 4.38Å; A95-R122 WeakPolarHBondContact O-CB 3.21Å; A95-R122 WeakPolarHBondContact O-CD 3.27Å; A95-L124 HydrophobicContact CB-CD1 4.44Å; A95-L124 HydrophobicContact CB-CD2 3.71Å
96G97.6Very high95.9Very high2 Ų247.3 Ų47.32%0.02124%0.243CC..SBendtrans-100.2173.3167.200000112.7D75 G94 R122D75-G96 PolarHBondContact O-N 3.02Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 CarbonylContact C-O 3.56Å; G96-R122 PolarHBondContact O-NH1 2.84Å; G96-R122 VanDerWaalsContact O-NH1 3.13Å
97E98Very high96.2Very high62 Ų6242.5 Ų42.529%0.2922%0.223SC..SBendtrans-93.8-28166.3-75.9174.3-152.400113D116 R122 R136E97-D116 PolarHBondContact N-OD2 3.04Å; E97-R122 VanDerWaalsContact CD-NH2 3.27Å; E97-R122 IonicContact OE1-CZ 3.66Å; E97-R122 VanDerWaalsContact OE1-CZ 3.3Å; E97-R122 IonicContact OE1-NE 3.9Å; E97-R122 PolarHBondContact OE1-NE 2.88Å; E97-R122 IonicContact OE1-NH2 3.54Å; E97-R122 PolarHBondContact OE1-NH2 2.85Å; E97-R136 IonicContact OE1-CZ 3.25Å; E97-R136 VanDerWaalsContact OE1-CZ 3.25Å; E97-R136 IonicContact OE1-NH1 3.48Å; E97-R136 PolarHBondContact OE1-NH1 2.89Å; E97-R136 IonicContact OE1-NH2 2.59Å; E97-R136 PolarHBondContact OE1-NH2 2.78Å; E97-R136 IonicContact OE2-CZ 3.17Å; E97-R136 IonicContact OE2-NH1 2.68Å; E97-R136 PolarHBondContact OE2-NH1 2.82Å; E97-R136 IonicContact OE2-NH2 2.82Å; E97-R136 PolarHBondContact OE2-NH2 2.96Å
98E98Very high96.4Very high105 Ų10545 Ų4549%0.49123%0.234SC..SBendtrans-139.3-162.9176.1-68.2-177.1-167.500107.9I100 D117 S118E98-I100 PolarHBondContact O-N 2.91Å; E98-D117 HydrophobicContact CB-CB 3.98Å; E98-S118 PolarHBondContact OE2-N 2.96Å
99E97.8Very high96.3Very high49 Ų4942.4 Ų42.423%0.22922%0.219CC..  trans-52.7127.8176.9-171.461.3-136.700110.6T57 G74 D116 D117T57-E99 HydrophobicContact CG2-CG 4.42Å; G74-E99 WeakPolarHBondContact CA-OE2 3.29Å; G74-E99 PolarHBondContact N-OE1 3.02Å; G74-E99 VanDerWaalsContact N-OE1 3.11Å; E99-D116 CarbonylContact O-C 3.56Å; E99-D116 WeakPolarHBondContact O-CA 3.47Å; E99-D116 VanDerWaalsContact O-CB 3.29Å; E99-D116 WeakPolarHBondContact O-CB 3.46Å; E99-D117 HydrophobicContact CB-CB 4.47Å; E99-D117 PolarHBondContact O-N 2.93Å
100I98.7Very high96.2Very high0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-79.2132.6177.1-65.9171.5000108.1T57 S72 G74 A76 V77 A95 E98 V103 V114T57-I100 WeakPolarHBondContact CB-O 3.32Å; T57-I100 WeakPolarHBondContact CG2-O 3.42Å; T57-I100 PolarHBondContact OG1-O 3.38Å; S72-I100 VanDerWaalsContact CB-CG2 3.44Å; G74-I100 WeakPolarHBondContact O-CG1 3.43Å; G74-I100 PolarHBondContact O-N 3.28Å; A76-I100 WeakPolarHBondContact O-CD1 3.32Å; V77-I100 HydrophobicContact CG2-CD1 3.8Å; A95-I100 HydrophobicContact CB-CD1 4.15Å; E98-I100 PolarHBondContact O-N 2.91Å; I100-V103 HydrophobicContact CG2-CG1 3.88Å; I100-V114 HydrophobicContact CB-CG1 4.17Å; I100-V114 HydrophobicContact CD1-CG1 3.53Å; I100-V114 HydrophobicContact CG1-CG1 3.46Å; I100-V114 VanDerWaalsContact CG1-CG1 3.46Å; I100-V114 HydrophobicContact CG2-CG1 3.71Å
101N98.4Very high96.3Very high41 Ų4139 Ų3922%0.21920%0.202CC..EExtended strand (participates in β ladder)trans-99.9-33.8176-69.3-67.9000112.9A115 D117 I141 C142N101-A115 PolarHBondContact N-O 3.17Å; N101-D117 PolarHBondContact ND2-N 2.75Å; N101-D117 PolarHBondContact ND2-OD1 3.38Å; N101-D117 PolarHBondContact OD1-OD1 2.76Å; N101-I141 WeakPolarHBondContact ND2-CG2 3.27Å; N101-C142 PolarHBondContact ND2-O 2.53Å
102A98.3Very high96.4Very high6 Ų636.1 Ų36.15%0.0519%0.187CC..EExtended strand (participates in β ladder)trans-150.1141.2-176.700000112.4A115 V145A102-A115 HydrophobicContact CB-CB 4.42Å; A102-A115 PolarHBondContact N-O 2.94Å; A102-A115 PolarHBondContact O-N 2.88Å; A102-V145 HydrophobicContact CB-CG1 4.23Å
103V98.4Very high96.4Very high10 Ų1035.6 Ų35.66%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-119.1137.9169.6-55.30000110.8S58 V77 I100 V112 A113 V114S58-V103 PolarHBondContact OG-N 3.01Å; S58-V103 VanDerWaalsContact OG-N 3.1Å; V77-V103 HydrophobicContact CG2-CG1 3.92Å; I100-V103 HydrophobicContact CG2-CG1 3.88Å; V103-V112 HydrophobicContact CB-CG1 4.47Å; V103-A113 WeakPolarHBondContact CA-O 3.5Å; V103-V114 HydrophobicContact CG1-CG2 4.37Å
104A97.6Very high96.6Very high12 Ų1227.2 Ų27.210%0.09915%0.153CC..EExtended strand (participates in β ladder)trans-137134.817500000111V112 A113 V145 F147A104-V112 CarbonylContact O-C 3.38Å; A104-V112 WeakPolarHBondContact O-CA 3.24Å; A104-A113 PolarHBondContact N-O 2.74Å; A104-A113 PolarHBondContact O-N 2.88Å; A104-V145 HydrophobicContact CB-CG1 4.17Å; A104-V145 WeakPolarHBondContact CB-O 3.36Å; A104-F147 HydrophobicContact CB-CD2 4.25Å; A104-F147 VanDerWaalsContact O-CE2 3.3Å; A104-F147 WeakPolarHBondContact O-CE2 3.41Å
105L96.3Very high96.7Very high18 Ų1826.1 Ų26.19%0.09414%0.142CC..EExtended strand (participates in β ladder)trans-94.8146.6171.8-71.3102.8000111.1S60 P63 Y70 V112S60-L105 WeakPolarHBondContact OG-CD1 3.39Å; P63-L105 HydrophobicContact CG-CB 4.44Å; Y70-L105 HydrophobicContact CD2-CD1 3.79Å; Y70-L105 HydrophobicContact CD2-CD2 3.88Å; Y70-L105 HydrophobicContact CD2-CG 4.42Å; Y70-L105 HydrophobicContact CE1-CD2 4.21Å; Y70-L105 HydrophobicContact CE2-CD1 4.34Å; Y70-L105 HydrophobicContact CE2-CD2 3.56Å; Y70-L105 HydrophobicContact CG-CD1 4.03Å; Y70-L105 HydrophobicContact CG-CD2 4.39Å; L105-V112 HydrophobicContact CD2-CG2 4.02Å; L105-V112 HydrophobicContact CG-CG2 4.03Å
106N94.9Very high96.8Very high1 Ų126.1 Ų26.11%0.00514%0.142CC..  trans-76.5159.7167.273.9-9.7000110.9P63 T108 G109 S110 N111 F147P63-N106 VanDerWaalsContact CG-O 3.32Å; P63-N106 WeakPolarHBondContact CG-O 3.38Å; N106-T108 VanDerWaalsContact CG-OG1 3.28Å; N106-T108 PolarHBondContact ND2-OG1 2.74Å; N106-T108 PolarHBondContact O-N 3.25Å; N106-T108 VanDerWaalsContact O-N 3.1Å; N106-T108 PolarHBondContact OD1-OG1 3.46Å; N106-G109 PolarHBondContact O-N 3.31Å; N106-G109 PolarHBondContact OD1-N 2.96Å; N106-S110 PolarHBondContact ND2-OG 3.43Å; N106-S110 VanDerWaalsContact ND2-OG 3.16Å; N106-S110 PolarHBondContact OD1-N 3.21Å; N106-N111 PolarHBondContact N-O 2.76Å; N106-N111 VanDerWaalsContact N-O 3.09Å; N106-N111 PolarHBondContact ND2-ND2 2.94Å; N106-N111 VanDerWaalsContact ND2-ND2 3.18Å; N106-N111 PolarHBondContact OD1-N 2.93Å; N106-N111 PolarHBondContact OD1-O 3.05Å; N106-F147 HydrophobicContact CB-CB 4.3Å; N106-F147 HydrophobicContact CB-CD1 3.67Å; N106-F147 HydrophobicContact CB-CD2 3.84Å; N106-F147 HydrophobicContact CB-CE1 3.85Å; N106-F147 HydrophobicContact CB-CE2 3.99Å; N106-F147 HydrophobicContact CB-CG 3.66Å; N106-F147 HydrophobicContact CB-CZ 4.01Å; N106-F147 VanDerWaalsContact N-CD2 3.3Å
107E91.8Very high96.8Very high86 Ų8628.3 Ų28.340%0.40215%0.154SC..THydrogen-bonded Turntrans-57.8-28.5-177.3-65.6178.6157.100113.4G109 P149 H150E107-G109 VanDerWaalsContact C-N 3.28Å; E107-G109 PolarHBondContact O-N 2.94Å; E107-P149 WeakPolarHBondContact OE1-CA 3.21Å; E107-P149 VanDerWaalsContact OE1-CB 3.31Å; E107-P149 WeakPolarHBondContact OE1-CB 3.36Å; E107-H150 VanDerWaalsContact CD-N 3.35Å; E107-H150 PolarHBondContact OE1-N 2.88Å; E107-H150 IonicContact OE1-ND1 3.96Å; E107-H150 WeakPolarHBondContact OE2-CA 3.46Å; E107-H150 PolarHBondContact OE2-N 2.97Å; E107-H150 IonicContact OE2-ND1 3.64Å
108T91.6Very high96.8Very high81 Ų8127.2 Ų27.250%0.49715%0.153SC..THydrogen-bonded Turntrans-79-10.6177.959.30000113.1A64 N106 S110 P152A64-T108 WeakPolarHBondContact CB-O 3.37Å; N106-T108 VanDerWaalsContact CG-OG1 3.28Å; N106-T108 PolarHBondContact ND2-OG1 2.74Å; N106-T108 PolarHBondContact O-N 3.25Å; N106-T108 VanDerWaalsContact O-N 3.1Å; N106-T108 PolarHBondContact OD1-OG1 3.46Å; T108-S110 PolarHBondContact O-N 3.45Å; T108-S110 PolarHBondContact OG1-OG 2.61Å; T108-P152 HydrophobicContact CG2-CB 4.28Å
109G91.8Very high96.8Very high11 Ų1122.3 Ų22.311%0.11313%0.13CC..SBendtrans64.715-174.300000114.2N106 E107N106-G109 PolarHBondContact O-N 3.31Å; N106-G109 PolarHBondContact OD1-N 2.96Å; E107-G109 VanDerWaalsContact C-N 3.28Å; E107-G109 PolarHBondContact O-N 2.94Å
110S94.1Very high96.8Very high43 Ų4320.1 Ų20.130%0.30112%0.12SC..SBendtrans-92.8-17.6-175.969.60000113N106 T108 I126N106-S110 PolarHBondContact ND2-OG 3.43Å; N106-S110 VanDerWaalsContact ND2-OG 3.16Å; N106-S110 PolarHBondContact OD1-N 3.21Å; T108-S110 PolarHBondContact O-N 3.45Å; T108-S110 PolarHBondContact OG1-OG 2.61Å; S110-I126 PolarHBondContact O-N 3.17Å
111N96.2Very high96.8Very high21 Ų2120.1 Ų20.111%0.11212%0.12CC..EExtended strand (participates in β ladder)trans-135142.3178.1-60.4-65.8000111.3N106 I123 L124 F147N106-N111 PolarHBondContact N-O 2.76Å; N106-N111 VanDerWaalsContact N-O 3.09Å; N106-N111 PolarHBondContact ND2-ND2 2.94Å; N106-N111 VanDerWaalsContact ND2-ND2 3.18Å; N106-N111 PolarHBondContact OD1-N 2.93Å; N106-N111 PolarHBondContact OD1-O 3.05Å; N111-I123 HydrophobicContact CB-CG2 4.05Å; N111-L124 CarbonylContact C-O 3.43Å; N111-L124 WeakPolarHBondContact CA-O 3.2Å; N111-F147 HydrophobicContact CB-CZ 4.01Å
112V97.9Very high96.8Very high0 Ų020.3 Ų20.30%012%0.118CC..EExtended strand (participates in β ladder)trans-110.6131.6167-179.80000107.7Y70 V103 A104 L105 V114 I123 L124 I126Y70-V112 HydrophobicContact CD1-CG2 3.78Å; Y70-V112 HydrophobicContact CE1-CG2 3.6Å; V103-V112 HydrophobicContact CB-CG1 4.47Å; A104-V112 CarbonylContact O-C 3.38Å; A104-V112 WeakPolarHBondContact O-CA 3.24Å; L105-V112 HydrophobicContact CD2-CG2 4.02Å; L105-V112 HydrophobicContact CG-CG2 4.03Å; V112-V114 HydrophobicContact CG1-CG2 4.06Å; V112-I123 CarbonylContact O-C 3.58Å; V112-I123 WeakPolarHBondContact O-CA 3.21Å; V112-L124 HydrophobicContact CB-CB 4.43Å; V112-L124 PolarHBondContact N-O 2.9Å; V112-L124 PolarHBondContact O-N 3.34Å; V112-I126 HydrophobicContact CG2-CD1 3.82Å; V112-I126 HydrophobicContact CG2-CG1 3.7Å
113A98.5Very high96.8Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-100.2137167.400000109V103 A104 V121 R122 I123 V145 F147 L155V103-A113 WeakPolarHBondContact CA-O 3.5Å; A104-A113 PolarHBondContact N-O 2.74Å; A104-A113 PolarHBondContact O-N 2.88Å; A113-V121 HydrophobicContact CB-CG1 4.46Å; A113-R122 CarbonylContact C-O 3.53Å; A113-R122 WeakPolarHBondContact CA-O 3.46Å; A113-I123 HydrophobicContact CB-CD1 3.68Å; A113-V145 HydrophobicContact CB-CG1 4.21Å; A113-V145 HydrophobicContact CB-CG2 3.81Å; A113-F147 HydrophobicContact CB-CD2 4.31Å; A113-F147 HydrophobicContact CB-CE2 3.54Å; A113-F147 HydrophobicContact CB-CZ 3.93Å; A113-L155 HydrophobicContact CB-CD2 4.46Å
114V98.7Very high96.8Very high0 Ų019.6 Ų19.60%011%0.113CC..EExtended strand (participates in β ladder)trans-126122.6-177.9176.30000107.4V77 A95 I100 V103 V112 V121 R122 L124V77-V114 HydrophobicContact CG2-CG2 4.07Å; A95-V114 HydrophobicContact CB-CG2 4.38Å; I100-V114 HydrophobicContact CB-CG1 4.17Å; I100-V114 HydrophobicContact CD1-CG1 3.53Å; I100-V114 HydrophobicContact CG1-CG1 3.46Å; I100-V114 VanDerWaalsContact CG1-CG1 3.46Å; I100-V114 HydrophobicContact CG2-CG1 3.71Å; V103-V114 HydrophobicContact CG1-CG2 4.37Å; V112-V114 HydrophobicContact CG1-CG2 4.06Å; V114-V121 CarbonylContact O-C 3.43Å; V114-V121 WeakPolarHBondContact O-CA 3.43Å; V114-R122 PolarHBondContact N-O 3.34Å; V114-R122 PolarHBondContact O-N 2.85Å; V114-L124 HydrophobicContact CB-CD1 4.47Å; V114-L124 HydrophobicContact CG2-CD1 3.85Å
115A98.7Very high96.8Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-106.5134173.400000109.6N101 A102 V121 C142 V145N101-A115 PolarHBondContact N-O 3.17Å; A102-A115 HydrophobicContact CB-CB 4.42Å; A102-A115 PolarHBondContact N-O 2.94Å; A102-A115 PolarHBondContact O-N 2.88Å; A115-V121 HydrophobicContact CB-CG2 4.35Å; A115-C142 HydrophobicContact CB-CB 4.06Å; A115-C142 VanDerWaalsContact CB-SG 3.56Å; A115-V145 HydrophobicContact CB-CB 4.02Å; A115-V145 HydrophobicContact CB-CG1 3.89Å
116D98.6Very high96.7Very high0 Ų024.2 Ų24.20%013%0.132CC..EExtended strand (participates in β ladder)trans-131.7171.4-173.166.831.6000114.4E97 E99 S118 G119 V120 C142E97-D116 PolarHBondContact N-OD2 3.04Å; E99-D116 CarbonylContact O-C 3.56Å; E99-D116 WeakPolarHBondContact O-CA 3.47Å; E99-D116 VanDerWaalsContact O-CB 3.29Å; E99-D116 WeakPolarHBondContact O-CB 3.46Å; D116-S118 PolarHBondContact O-N 3.01Å; D116-S118 WeakPolarHBondContact OD1-CB 3.45Å; D116-S118 PolarHBondContact OD1-N 2.89Å; D116-S118 VanDerWaalsContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 3.23Å; D116-G119 PolarHBondContact O-N 2.89Å; D116-G119 VanDerWaalsContact O-N 3.11Å; D116-G119 PolarHBondContact OD1-N 2.73Å; D116-V120 PolarHBondContact N-O 3.29Å; D116-V120 PolarHBondContact OD1-N 2.81Å; D116-C142 PolarHBondContact O-N 3Å
117D98.6Very high96.5Very high49 Ų4929.4 Ų29.426%0.26217%0.166SC..THydrogen-bonded Turntrans-62.8-27.3-179.6-88.61.2000114.1E98 E99 N101 G119 I141E98-D117 HydrophobicContact CB-CB 3.98Å; E99-D117 HydrophobicContact CB-CB 4.47Å; E99-D117 PolarHBondContact O-N 2.93Å; N101-D117 PolarHBondContact ND2-N 2.75Å; N101-D117 PolarHBondContact ND2-OD1 3.38Å; N101-D117 PolarHBondContact OD1-OD1 2.76Å; D117-G119 PolarHBondContact O-N 3.05Å; D117-G119 VanDerWaalsContact O-N 3.11Å; D117-I141 HydrophobicContact CB-CG1 4.26Å; D117-I141 WeakPolarHBondContact O-CA 3.32Å; D117-I141 WeakPolarHBondContact OD1-CG2 3.23Å
118S98.3Very high96.5Very high39 Ų3927.9 Ų27.927%0.27317%0.173SC..THydrogen-bonded Turntrans-70.8-6176.181.50000113.2E98 D116 V120E98-S118 PolarHBondContact OE2-N 2.96Å; D116-S118 PolarHBondContact O-N 3.01Å; D116-S118 WeakPolarHBondContact OD1-CB 3.45Å; D116-S118 PolarHBondContact OD1-N 2.89Å; D116-S118 VanDerWaalsContact OD1-N 3.15Å; D116-S118 PolarHBondContact OD1-OG 3.23Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-V120 WeakPolarHBondContact OG-CG2 3.39Å
119G98.1Very high96.6Very high1 Ų124.5 Ų24.51%0.0116%0.155CC..SBendtrans81.514.6-176.200000113.3D116 D117 H138 N140D116-G119 PolarHBondContact O-N 2.89Å; D116-G119 VanDerWaalsContact O-N 3.11Å; D116-G119 PolarHBondContact OD1-N 2.73Å; D117-G119 PolarHBondContact O-N 3.05Å; D117-G119 VanDerWaalsContact O-N 3.11Å; G119-H138 WeakPolarHBondContact O-CB 3.41Å; G119-N140 WeakPolarHBondContact CA-O 3.35Å
120V98.3Very high96.9Very high4 Ų431 Ų312%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-98.2139.3-177.8-177.20000109.4D116 S118 R122 R136D116-V120 PolarHBondContact N-O 3.29Å; D116-V120 PolarHBondContact OD1-N 2.81Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-V120 WeakPolarHBondContact OG-CG2 3.39Å; V120-R122 HydrophobicContact CG1-CG 4Å; V120-R136 HydrophobicContact CG1-CG 4.22Å; V120-R136 HydrophobicContact CG2-CG 4.14Å
121V98.6Very high97.1Very high0 Ų031.4 Ų31.40%018%0.181CC..EExtended strand (participates in β ladder)trans-107.2110.8166-177.60000109.4A113 V114 A115 I123 L135 C142 V145 L155A113-V121 HydrophobicContact CB-CG1 4.46Å; V114-V121 CarbonylContact O-C 3.43Å; V114-V121 WeakPolarHBondContact O-CA 3.43Å; A115-V121 HydrophobicContact CB-CG2 4.35Å; V121-I123 HydrophobicContact CG1-CD1 4.2Å; V121-L135 HydrophobicContact CB-CB 4.15Å; V121-L135 HydrophobicContact CB-CD1 4.34Å; V121-L135 HydrophobicContact CG1-CD1 4.28Å; V121-L135 PolarHBondContact N-O 2.97Å; V121-L135 VanDerWaalsContact N-O 3.08Å; V121-L135 WeakPolarHBondContact O-CB 3.47Å; V121-L135 PolarHBondContact O-N 2.89Å; V121-C142 HydrophobicContact CG2-CB 4.46Å; V121-C142 WeakPolarHBondContact CG2-SG 3.34Å; V121-V145 HydrophobicContact CG1-CG2 4Å; V121-L155 HydrophobicContact CG1-CD1 4.21Å
122R98.5Very high97.1Very high44 Ų4433.1 Ų33.117%0.16619%0.193CC..EExtended strand (participates in β ladder)trans-94.1141.2175.9-76.3-179.2168.4-170.81.6110.9G94 A95 G96 E97 A113 V114 V120 L124 V131 R133G94-R122 PolarHBondContact O-NH1 2.82Å; A95-R122 WeakPolarHBondContact O-CB 3.21Å; A95-R122 WeakPolarHBondContact O-CD 3.27Å; G96-R122 PolarHBondContact O-NH1 2.84Å; G96-R122 VanDerWaalsContact O-NH1 3.13Å; E97-R122 VanDerWaalsContact CD-NH2 3.27Å; E97-R122 IonicContact OE1-CZ 3.66Å; E97-R122 VanDerWaalsContact OE1-CZ 3.3Å; E97-R122 IonicContact OE1-NE 3.9Å; E97-R122 PolarHBondContact OE1-NE 2.88Å; E97-R122 IonicContact OE1-NH2 3.54Å; E97-R122 PolarHBondContact OE1-NH2 2.85Å; A113-R122 CarbonylContact C-O 3.53Å; A113-R122 WeakPolarHBondContact CA-O 3.46Å; V114-R122 PolarHBondContact N-O 3.34Å; V114-R122 PolarHBondContact O-N 2.85Å; V120-R122 HydrophobicContact CG1-CG 4Å; R122-L124 HydrophobicContact CB-CD1 4.11Å; R122-V131 HydrophobicContact CB-CG1 4.42Å; R122-V131 HydrophobicContact CG-CG1 4.31Å; R122-R133 WeakPolarHBondContact CA-O 3.23Å
123I98.4Very high97Very high0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-112.9121.8175-47-60.4000108.2N111 V112 A113 V121 V131 C132 R133 L135 L155 L169N111-I123 HydrophobicContact CB-CG2 4.05Å; V112-I123 CarbonylContact O-C 3.58Å; V112-I123 WeakPolarHBondContact O-CA 3.21Å; A113-I123 HydrophobicContact CB-CD1 3.68Å; V121-I123 HydrophobicContact CG1-CD1 4.2Å; I123-V131 CarbonylContact O-C 3.59Å; I123-V131 WeakPolarHBondContact O-CA 3.46Å; I123-C132 PolarHBondContact O-N 2.79Å; I123-C132 PolarHBondContact O-SG 2.69Å; I123-C132 VanDerWaalsContact O-SG 3.34Å; I123-R133 HydrophobicContact CB-CB 4.09Å; I123-R133 HydrophobicContact CG1-CB 4.05Å; I123-R133 PolarHBondContact N-O 2.97Å; I123-R133 PolarHBondContact O-N 3.47Å; I123-L135 HydrophobicContact CD1-CD1 4.3Å; I123-L135 HydrophobicContact CG1-CD1 4.34Å; I123-L155 HydrophobicContact CD1-CD2 3.45Å; I123-L155 VanDerWaalsContact CD1-CD2 3.45Å; I123-L155 HydrophobicContact CG1-CD2 4.47Å; I123-L169 HydrophobicContact CD1-CD2 4.22Å; I123-L169 HydrophobicContact CG1-CD2 3.86Å; I123-L169 HydrophobicContact CG2-CD1 4.16Å
124L98.3Very high96.9Very high1 Ų140.1 Ų40.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.1134.6178.9-70.671.7000109.1F92 A95 N111 V112 V114 R122 G129 K130 V131F92-L124 HydrophobicContact CB-CD2 3.92Å; F92-L124 HydrophobicContact CD2-CD2 4.07Å; F92-L124 HydrophobicContact CG-CD2 4.21Å; A95-L124 HydrophobicContact CB-CD1 4.44Å; A95-L124 HydrophobicContact CB-CD2 3.71Å; N111-L124 CarbonylContact C-O 3.43Å; N111-L124 WeakPolarHBondContact CA-O 3.2Å; V112-L124 HydrophobicContact CB-CB 4.43Å; V112-L124 PolarHBondContact N-O 2.9Å; V112-L124 PolarHBondContact O-N 3.34Å; V114-L124 HydrophobicContact CB-CD1 4.47Å; V114-L124 HydrophobicContact CG2-CD1 3.85Å; R122-L124 HydrophobicContact CB-CD1 4.11Å; L124-G129 WeakPolarHBondContact CD2-O 3.42Å; L124-K130 CarbonylContact C-O 3.6Å; L124-K130 WeakPolarHBondContact CA-O 3.28Å; L124-V131 HydrophobicContact CD1-CG2 4.22Å; L124-V131 HydrophobicContact CG-CG2 4.04Å
125E96.4Very high96.9Very high102 Ų10241 Ų4148%0.47723%0.232SC..EExtended strand (participates in β ladder)trans-85.6135.5171.9-172.9175.2-171.900110.1G129 K130E125-G129 WeakPolarHBondContact O-CA 3.38Å; E125-G129 PolarHBondContact O-N 3.41Å; E125-K130 PolarHBondContact N-O 2.85Å; E125-K130 PolarHBondContact O-N 2.82Å
126I94Very high96.8Very high25 Ų2548.2 Ų48.213%0.12826%0.26CS..THydrogen-bonded Turntrans-113.3138.5-179.3-57.1-57.3000109.4Y70 F92 S110 V112Y70-I126 HydrophobicContact CE1-CD1 4.08Å; Y70-I126 HydrophobicContact CE1-CG1 4.42Å; Y70-I126 WeakPolarHBondContact OH-CG2 3.44Å; F92-I126 HydrophobicContact CD2-CD1 4.41Å; F92-I126 HydrophobicContact CE2-CD1 3.42Å; F92-I126 VanDerWaalsContact CE2-CD1 3.42Å; F92-I126 HydrophobicContact CZ-CD1 3.53Å; S110-I126 PolarHBondContact O-N 3.17Å; V112-I126 HydrophobicContact CG2-CD1 3.82Å; V112-I126 HydrophobicContact CG2-CG1 3.7Å
127P91.1Very high96.7Very high111 Ų11154.8 Ų54.872%0.72129%0.285SS*.THydrogen-bonded Turncis-77.7166.31.732.8-36.2000113.9
128G91.1Very high96.7Very high53 Ų5353.1 Ų53.155%0.54628%0.275SS..THydrogen-bonded Turntrans91.9-4.9172.900000116.5E90 K130E90-G128 PolarHBondContact OE1-N 2.77Å; G128-K130 VanDerWaalsContact C-N 3.31Å; G128-K130 PolarHBondContact O-N 3.48Å
129G95.4Very high96.7Very high11 Ų1157 Ų5711%0.11330%0.297CS..THydrogen-bonded Turntrans65.427.9166.900000115.3F92 L124 E125 V131F92-G129 VanDerWaalsContact CD1-CA 3.45Å; L124-G129 WeakPolarHBondContact CD2-O 3.42Å; E125-G129 WeakPolarHBondContact O-CA 3.38Å; E125-G129 PolarHBondContact O-N 3.41Å; G129-V131 PolarHBondContact O-N 2.87Å
130K97.1Very high96.7Very high146 Ų14660.5 Ų60.564%0.63532%0.316SS*.EExtended strand (participates in β ladder)trans-72.2120.3-178-179-175.1174.3-172.50110.2L124 E125 G128 C132L124-K130 CarbonylContact C-O 3.6Å; L124-K130 WeakPolarHBondContact CA-O 3.28Å; E125-K130 PolarHBondContact N-O 2.85Å; E125-K130 PolarHBondContact O-N 2.82Å; G128-K130 VanDerWaalsContact C-N 3.31Å; G128-K130 PolarHBondContact O-N 3.48Å; K130-C132 PolarHBondContact O-N 3.28Å
131V97.8Very high96.7Very high53 Ų5362.4 Ų62.432%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-62.1111.5171-177.50000109.5R122 I123 L124 G129R122-V131 HydrophobicContact CB-CG1 4.42Å; R122-V131 HydrophobicContact CG-CG1 4.31Å; I123-V131 CarbonylContact O-C 3.59Å; I123-V131 WeakPolarHBondContact O-CA 3.46Å; L124-V131 HydrophobicContact CD1-CG2 4.22Å; L124-V131 HydrophobicContact CG-CG2 4.04Å; G129-V131 PolarHBondContact O-N 2.87Å
132C96.1Very high96.7Very high56 Ų5662.4 Ų62.438%0.37833%0.325SS..EExtended strand (participates in β ladder)trans-100.9-22.4180710000112.4I123 K130I123-C132 PolarHBondContact O-N 2.79Å; I123-C132 PolarHBondContact O-SG 2.69Å; I123-C132 VanDerWaalsContact O-SG 3.34Å; K130-C132 PolarHBondContact O-N 3.28Å
133R96.8Very high96.7Very high95 Ų9561.1 Ų61.136%0.35832%0.323SS..EExtended strand (participates in β ladder)trans-148.3150.5177.2-58.8-178.2-178.1-81.5-2.7111.9R122 I123 L169R122-R133 WeakPolarHBondContact CA-O 3.23Å; I123-R133 HydrophobicContact CB-CB 4.09Å; I123-R133 HydrophobicContact CG1-CB 4.05Å; I123-R133 PolarHBondContact N-O 2.97Å; I123-R133 PolarHBondContact O-N 3.47Å; R133-L169 PolarHBondContact NE-O 3.16Å; R133-L169 PolarHBondContact NH1-O 2.85Å; R133-L169 VanDerWaalsContact NH1-O 3.08Å; R133-L169 PolarHBondContact NH2-O 2.97Å
134S97.1Very high96.7Very high53 Ų5361.9 Ų61.937%0.37133%0.328SS..EExtended strand (participates in β ladder)trans-129.7116.3168.9-51.40000108.6
135L97.9Very high96.7Very high17 Ų1762.2 Ų62.29%0.08933%0.33CS..EExtended strand (participates in β ladder)trans-99.3103.2-176-51.4175.7000108.1V121 I123 L155 W167 L169V121-L135 HydrophobicContact CB-CB 4.15Å; V121-L135 HydrophobicContact CB-CD1 4.34Å; V121-L135 HydrophobicContact CG1-CD1 4.28Å; V121-L135 PolarHBondContact N-O 2.97Å; V121-L135 VanDerWaalsContact N-O 3.08Å; V121-L135 WeakPolarHBondContact O-CB 3.47Å; V121-L135 PolarHBondContact O-N 2.89Å; I123-L135 HydrophobicContact CD1-CD1 4.3Å; I123-L135 HydrophobicContact CG1-CD1 4.34Å; L135-L155 HydrophobicContact CD1-CD1 4.35Å; L135-L155 HydrophobicContact CD1-CD2 4.41Å; L135-W167 HydrophobicContact CB-CD2 4.21Å; L135-W167 HydrophobicContact CB-CE3 4.07Å; L135-W167 HydrophobicContact CB-CH2 3.75Å; L135-W167 HydrophobicContact CB-CZ2 3.95Å; L135-W167 HydrophobicContact CB-CZ3 3.85Å; L135-W167 HydrophobicContact CD1-CB 4.07Å; L135-W167 HydrophobicContact CD1-CD2 3.76Å; L135-W167 HydrophobicContact CD1-CE3 4.07Å; L135-W167 HydrophobicContact CD1-CG 3.76Å; L135-W167 HydrophobicContact CD2-CE3 4.04Å; L135-W167 HydrophobicContact CD2-CZ3 4.27Å; L135-W167 HydrophobicContact CG-CD2 4.4Å; L135-W167 HydrophobicContact CG-CE3 4.29Å; L135-W167 HydrophobicContact CG-CZ3 4.49Å; L135-L169 HydrophobicContact CD1-CD2 4.29Å
136R96.2Very high96.8Very high152 Ų15258 Ų5857%0.57431%0.314SS*.EExtended strand (participates in β ladder)trans-107.597.9-173.2-58.1-175.1175.4-91.67.5110.1E97 V120E97-R136 IonicContact OE1-CZ 3.25Å; E97-R136 VanDerWaalsContact OE1-CZ 3.25Å; E97-R136 IonicContact OE1-NH1 3.48Å; E97-R136 PolarHBondContact OE1-NH1 2.89Å; E97-R136 IonicContact OE1-NH2 2.59Å; E97-R136 PolarHBondContact OE1-NH2 2.78Å; E97-R136 IonicContact OE2-CZ 3.17Å; E97-R136 IonicContact OE2-NH1 2.68Å; E97-R136 PolarHBondContact OE2-NH1 2.82Å; E97-R136 IonicContact OE2-NH2 2.82Å; E97-R136 PolarHBondContact OE2-NH2 2.96Å; V120-R136 HydrophobicContact CG1-CG 4.22Å; V120-R136 HydrophobicContact CG2-CG 4.14Å
137R96.5Very high97Very high139 Ų13957.8 Ų57.853%0.52531%0.311SS..  trans-146.2-31.3176.6-172.760.2174.9166.75.4114.3T139 I165 W167R137-T139 PolarHBondContact O-N 3.24Å; R137-I165 HydrophobicContact CB-CD1 3.81Å; R137-I165 HydrophobicContact CG-CD1 3.62Å; R137-W167 HydrophobicContact CB-CH2 3.41Å; R137-W167 VanDerWaalsContact CB-CH2 3.41Å; R137-W167 HydrophobicContact CB-CZ2 3.88Å; R137-W167 HydrophobicContact CB-CZ3 4.48Å; R137-W167 HydrophobicContact CG-CH2 4.37Å
138H98Very high97.3Very high14 Ų1452.9 Ų52.97%0.06528%0.279CS..  trans-63.3138.8174.7-69.1-76.6000109.8G119 N140 C142 S157 D161 Q163G119-H138 WeakPolarHBondContact O-CB 3.41Å; H138-N140 WeakPolarHBondContact CB-O 3.43Å; H138-C142 VanDerWaalsContact CD2-SG 3.56Å; H138-S157 PolarHBondContact NE2-OG 3.29Å; H138-D161 WeakPolarHBondContact CA-OD2 3.28Å; H138-D161 WeakPolarHBondContact CB-OD2 3.5Å; H138-D161 IonicContact CE1-OD1 3.15Å; H138-D161 IonicContact CG-OD1 2.77Å; H138-D161 IonicContact CG-OD2 3.89Å; H138-D161 IonicContact ND1-OD1 3.3Å; H138-D161 PolarHBondContact ND1-OD1 3.34Å; H138-D161 IonicContact ND1-OD2 3.82Å; H138-D161 PolarHBondContact ND1-OD2 2.84Å; H138-D161 VanDerWaalsContact ND1-OD2 3.08Å; H138-Q163 PolarHBondContact CE1-O 2.79Å
139T97.9Very high97.4Very high119 Ų11951.4 Ų51.473%0.7326%0.259SS*.SBendtrans-99.14.5179.657.60000112.6R137 D161R137-T139 PolarHBondContact O-N 3.24Å; T139-D161 PolarHBondContact N-OD2 3.45Å; T139-D161 WeakPolarHBondContact OG1-CB 3.4Å
140N98.1Very high97.3Very high75 Ų7557 Ų5740%0.40128%0.282SS..SBendtrans-150.8-178.4177.8-159.2-5.8000107.9G119 H138 C142 L160 D161G119-N140 WeakPolarHBondContact CA-O 3.35Å; H138-N140 WeakPolarHBondContact CB-O 3.43Å; N140-C142 PolarHBondContact O-N 3.06Å; N140-L160 HydrophobicContact CB-CB 4.41Å; N140-L160 PolarHBondContact ND2-O 2.98Å; N140-D161 HydrophobicContact CB-CB 3.86Å
141I98.6Very high97.2Very high44 Ų4455.9 Ų55.923%0.22627%0.274CS..  trans-43.6127.2178.3-64.2176.9000111.5N101 D117 S143 G159 L160N101-I141 WeakPolarHBondContact ND2-CG2 3.27Å; D117-I141 HydrophobicContact CB-CG1 4.26Å; D117-I141 WeakPolarHBondContact O-CA 3.32Å; D117-I141 WeakPolarHBondContact OD1-CG2 3.23Å; I141-S143 PolarHBondContact O-N 3.32Å; I141-G159 CarbonylContact O-C 3.49Å; I141-G159 WeakPolarHBondContact O-CA 3.3Å; I141-L160 HydrophobicContact CB-CB 4.44Å; I141-L160 HydrophobicContact CB-CD1 3.92Å; I141-L160 HydrophobicContact CB-CG 4.04Å; I141-L160 HydrophobicContact CD1-CD1 3.98Å; I141-L160 HydrophobicContact CG1-CD1 4.38Å; I141-L160 HydrophobicContact CG2-CD1 4.3Å; I141-L160 HydrophobicContact CG2-CG 4.37Å; I141-L160 PolarHBondContact O-N 3.11Å
142C98.7Very high97Very high0 Ų055.6 Ų55.60%027%0.273CS..EExtended strand (participates in β ladder)trans-88.9103.3168.6-170.70000108.2N101 A115 D116 V121 H138 N140 V158N101-C142 PolarHBondContact ND2-O 2.53Å; A115-C142 HydrophobicContact CB-CB 4.06Å; A115-C142 VanDerWaalsContact CB-SG 3.56Å; D116-C142 PolarHBondContact O-N 3Å; V121-C142 HydrophobicContact CG2-CB 4.46Å; V121-C142 WeakPolarHBondContact CG2-SG 3.34Å; H138-C142 VanDerWaalsContact CD2-SG 3.56Å; N140-C142 PolarHBondContact O-N 3.06Å; C142-V158 CarbonylContact C-O 3.53Å; C142-V158 PolarHBondContact SG-O 3.44Å
143S98.5Very high96.9Very high18 Ų1856 Ų5613%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-80.4-32.3-170.150.80000113.1I141 V158 A203 H204I141-S143 PolarHBondContact O-N 3.32Å; S143-V158 PolarHBondContact N-O 3.47Å; S143-V158 PolarHBondContact OG-O 3.03Å; S143-A203 WeakPolarHBondContact CB-O 3.29Å; S143-A203 PolarHBondContact OG-O 2.94Å; S143-H204 PolarHBondContact OG-O 3.38Å
144S98.7Very high96.9Very high15 Ų1552.4 Ų52.411%0.10526%0.26CS..EExtended strand (participates in β ladder)trans-153.3150.5-174.5-171.70000113.2S157 V158 H204 V206S144-S157 WeakPolarHBondContact O-CA 3.41Å; S144-V158 PolarHBondContact N-O 3.15Å; S144-V158 PolarHBondContact O-N 2.98Å; S144-H204 WeakPolarHBondContact CB-O 3.2Å; S144-V206 PolarHBondContact OG-N 2.8Å
145V98.8Very high96.9Very high8 Ų849.9 Ų49.95%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-142.6141.5179.3640000110.5A102 A104 A113 A115 V121 L155 V156A102-V145 HydrophobicContact CB-CG1 4.23Å; A104-V145 HydrophobicContact CB-CG1 4.17Å; A104-V145 WeakPolarHBondContact CB-O 3.36Å; A113-V145 HydrophobicContact CB-CG1 4.21Å; A113-V145 HydrophobicContact CB-CG2 3.81Å; A115-V145 HydrophobicContact CB-CB 4.02Å; A115-V145 HydrophobicContact CB-CG1 3.89Å; V121-V145 HydrophobicContact CG1-CG2 4Å; V145-L155 HydrophobicContact CG2-CD1 3.58Å; V145-V156 CarbonylContact C-O 3.59Å; V145-V156 WeakPolarHBondContact CA-O 3.43Å
146A98.4Very high97Very high15 Ų1549.1 Ų49.112%0.12424%0.238CC..EExtended strand (participates in β ladder)trans-143.7131.4176.700000111.5L155 V156 V206 V208A146-L155 CarbonylContact O-C 3.56Å; A146-L155 VanDerWaalsContact O-CA 3.24Å; A146-L155 WeakPolarHBondContact O-CA 3.45Å; A146-L155 WeakPolarHBondContact O-CB 3.4Å; A146-V156 PolarHBondContact N-O 2.96Å; A146-V156 PolarHBondContact O-N 2.84Å; A146-V206 HydrophobicContact CB-CG1 4.06Å; A146-V208 HydrophobicContact CB-CG2 4.24Å
147F97.9Very high97.1Very high19 Ų1941.9 Ų41.98%0.08321%0.21CC..EExtended strand (participates in β ladder)trans-68.3145.4168.7-83.2-80.6000111.1A104 N106 N111 A113 P149 N154 L155 L169A104-F147 HydrophobicContact CB-CD2 4.25Å; A104-F147 VanDerWaalsContact O-CE2 3.3Å; A104-F147 WeakPolarHBondContact O-CE2 3.41Å; N106-F147 HydrophobicContact CB-CB 4.3Å; N106-F147 HydrophobicContact CB-CD1 3.67Å; N106-F147 HydrophobicContact CB-CD2 3.84Å; N106-F147 HydrophobicContact CB-CE1 3.85Å; N106-F147 HydrophobicContact CB-CE2 3.99Å; N106-F147 HydrophobicContact CB-CG 3.66Å; N106-F147 HydrophobicContact CB-CZ 4.01Å; N106-F147 VanDerWaalsContact N-CD2 3.3Å; N111-F147 HydrophobicContact CB-CZ 4.01Å; A113-F147 HydrophobicContact CB-CD2 4.31Å; A113-F147 HydrophobicContact CB-CE2 3.54Å; A113-F147 HydrophobicContact CB-CZ 3.93Å; F147-P149 WeakPolarHBondContact O-CD 3.21Å; F147-N154 WeakPolarHBondContact CD1-O 3.41Å; F147-L155 HydrophobicContact CD1-CB 3.9Å; F147-L155 HydrophobicContact CD1-CD2 4.37Å; F147-L155 HydrophobicContact CE1-CB 4.21Å; F147-L155 HydrophobicContact CE1-CD2 3.81Å; F147-L155 HydrophobicContact CG-CB 4.26Å; F147-L155 HydrophobicContact CZ-CD2 4.11Å; F147-L169 HydrophobicContact CE1-CD1 4.33Å
148R96.9Very high97.2Very high9 Ų935.2 Ų35.23%0.03419%0.185CC..PPolyproline II helixtrans-81.5123.3176.1-178.8-177.9175.9-173.87.3109.7R151 N154 V208 G212 N213 S233R148-R151 HydrophobicContact CB-CB 4.21Å; R148-R151 HydrophobicContact CG-CB 4.01Å; R148-R151 HydrophobicContact CG-CG 4.3Å; R148-R151 CarbonylContact O-C 3.48Å; R148-R151 PolarHBondContact O-N 2.87Å; R148-N154 HydrophobicContact CB-CB 3.92Å; R148-N154 WeakPolarHBondContact CB-O 3.17Å; R148-N154 PolarHBondContact N-O 3.4Å; R148-V208 HydrophobicContact CG-CG1 4.34Å; R148-G212 PolarHBondContact NE-O 3.25Å; R148-G212 PolarHBondContact NH2-O 2.8Å; R148-N213 PolarHBondContact NH2-OD1 2.98Å; R148-S233 PolarHBondContact NH1-OG 3.5Å
149P94.6Very high97.2Very high21 Ų2134.6 Ų34.614%0.13618%0.182CC..THydrogen-bonded Turntrans-54143.6174.7-30.638.5000113.2E107 F147 R151 G210E107-P149 WeakPolarHBondContact OE1-CA 3.21Å; E107-P149 VanDerWaalsContact OE1-CB 3.31Å; E107-P149 WeakPolarHBondContact OE1-CB 3.36Å; F147-P149 WeakPolarHBondContact O-CD 3.21Å; P149-R151 PolarHBondContact O-N 3.13Å; P149-G210 WeakPolarHBondContact CB-O 3.47Å
150H93.4Very high97.3Very high129 Ų12930.8 Ų30.860%0.59716%0.157SC*.THydrogen-bonded Turntrans59.78.5-178.4-47.2-42.4000115.5E107 G210E107-H150 VanDerWaalsContact CD-N 3.35Å; E107-H150 PolarHBondContact OE1-N 2.88Å; E107-H150 IonicContact OE1-ND1 3.96Å; E107-H150 WeakPolarHBondContact OE2-CA 3.46Å; E107-H150 PolarHBondContact OE2-N 2.97Å; E107-H150 IonicContact OE2-ND1 3.64Å; H150-G210 PolarHBondContact NE2-O 2.9Å
151R94.9Very high97.2Very high123 Ų12327.7 Ų27.746%0.46414%0.141SC..  trans-138.972.3-179.2-63.2-64.6-125.9-149-1.2108.9R148 P149 N153 N154R148-R151 HydrophobicContact CB-CB 4.21Å; R148-R151 HydrophobicContact CG-CB 4.01Å; R148-R151 HydrophobicContact CG-CG 4.3Å; R148-R151 CarbonylContact O-C 3.48Å; R148-R151 PolarHBondContact O-N 2.87Å; P149-R151 PolarHBondContact O-N 3.13Å; R151-N153 PolarHBondContact O-N 3.38Å; R151-N154 HydrophobicContact CB-CB 3.98Å; R151-N154 PolarHBondContact O-N 3.28Å
152P91.9Very high97.2Very high46 Ų4627.7 Ų27.730%0.29914%0.141SC..THydrogen-bonded Turntrans-62.7-12.8-169.525-36000115T108T108-P152 HydrophobicContact CG2-CB 4.28Å
153N94.6Very high97.2Very high64 Ų6429 Ų2934%0.34215%0.147SC..THydrogen-bonded Turntrans-100.810.9175.9-69.1-38.1000113.3R151 G168 L169R151-N153 PolarHBondContact O-N 3.38Å; N153-G168 CarbonylContact O-C 3.57Å; N153-G168 WeakPolarHBondContact O-CA 3.1Å; N153-L169 HydrophobicContact CB-CB 4.34Å; N153-L169 WeakPolarHBondContact O-CG 3.47Å; N153-L169 PolarHBondContact O-N 3.06Å
154N96.9Very high97.2Very high21 Ų2128.2 Ų28.211%0.11214%0.141CC..EExtended strand (participates in β ladder)trans-123.4139.7177.3-75.747.6000109.5F147 R148 R151 W167 L175 S233F147-N154 WeakPolarHBondContact CD1-O 3.41Å; R148-N154 HydrophobicContact CB-CB 3.92Å; R148-N154 WeakPolarHBondContact CB-O 3.17Å; R148-N154 PolarHBondContact N-O 3.4Å; R151-N154 HydrophobicContact CB-CB 3.98Å; R151-N154 PolarHBondContact O-N 3.28Å; N154-W167 VanDerWaalsContact CA-O 3.32Å; N154-W167 WeakPolarHBondContact CA-O 3.3Å; N154-L175 VanDerWaalsContact ND2-CD1 3.35Å; N154-L175 WeakPolarHBondContact ND2-CD1 3.41Å; N154-S233 PolarHBondContact ND2-OG 2.9Å
155L98.3Very high97.2Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-148.1159.5175.565.7100.9000109.5A113 V121 I123 L135 V145 A146 F147 W167 L169A113-L155 HydrophobicContact CB-CD2 4.46Å; V121-L155 HydrophobicContact CG1-CD1 4.21Å; I123-L155 HydrophobicContact CD1-CD2 3.45Å; I123-L155 VanDerWaalsContact CD1-CD2 3.45Å; I123-L155 HydrophobicContact CG1-CD2 4.47Å; L135-L155 HydrophobicContact CD1-CD1 4.35Å; L135-L155 HydrophobicContact CD1-CD2 4.41Å; V145-L155 HydrophobicContact CG2-CD1 3.58Å; A146-L155 CarbonylContact O-C 3.56Å; A146-L155 VanDerWaalsContact O-CA 3.24Å; A146-L155 WeakPolarHBondContact O-CA 3.45Å; A146-L155 WeakPolarHBondContact O-CB 3.4Å; F147-L155 HydrophobicContact CD1-CB 3.9Å; F147-L155 HydrophobicContact CD1-CD2 4.37Å; F147-L155 HydrophobicContact CE1-CB 4.21Å; F147-L155 HydrophobicContact CE1-CD2 3.81Å; F147-L155 HydrophobicContact CG-CB 4.26Å; F147-L155 HydrophobicContact CZ-CD2 4.11Å; L155-W167 HydrophobicContact CD1-CB 4.31Å; L155-W167 HydrophobicContact CD1-CG 4.16Å; L155-W167 HydrophobicContact CG-CB 4.13Å; L155-W167 PolarHBondContact N-O 2.93Å; L155-W167 PolarHBondContact O-N 2.9Å; L155-L169 HydrophobicContact CD2-CD2 3.73Å; L155-L169 HydrophobicContact CD2-CG 4.36Å
156V98.8Very high97.2Very high0 Ų027.1 Ų27.10%013%0.133CC..EExtended strand (participates in β ladder)trans-115.2137.4176.5-172.70000107.6V145 A146 V164 I165 L166 V206 V208 L215V145-V156 CarbonylContact C-O 3.59Å; V145-V156 WeakPolarHBondContact CA-O 3.43Å; A146-V156 PolarHBondContact N-O 2.96Å; A146-V156 PolarHBondContact O-N 2.84Å; V156-V164 HydrophobicContact CG1-CG1 3.6Å; V156-I165 VanDerWaalsContact CA-O 3.31Å; V156-I165 WeakPolarHBondContact CA-O 3.42Å; V156-L166 HydrophobicContact CG2-CD1 3.58Å; V156-V206 HydrophobicContact CB-CG2 4.18Å; V156-V206 HydrophobicContact CG1-CG2 3.75Å; V156-V208 HydrophobicContact CG2-CG2 4.02Å; V156-L215 HydrophobicContact CG1-CD2 4.33Å; V156-L215 HydrophobicContact CG2-CD2 3.92Å
157S98.8Very high97.2Very high0 Ų026.8 Ų26.80%013%0.129CC..EExtended strand (participates in β ladder)trans-124.2152.2169.667.90000110.5H138 S144 I165 W167H138-S157 PolarHBondContact NE2-OG 3.29Å; S144-S157 WeakPolarHBondContact O-CA 3.41Å; S157-I165 PolarHBondContact N-O 3.06Å; S157-I165 PolarHBondContact O-N 3.25Å; S157-W167 PolarHBondContact OG-NE1 3.18Å
158V98.8Very high97.1Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-136.5158.9177.1-57.30000110.7C142 S143 S144 Q163 V164 A203 V206C142-V158 CarbonylContact C-O 3.53Å; C142-V158 PolarHBondContact SG-O 3.44Å; S143-V158 PolarHBondContact N-O 3.47Å; S143-V158 PolarHBondContact OG-O 3.03Å; S144-V158 PolarHBondContact N-O 3.15Å; S144-V158 PolarHBondContact O-N 2.98Å; V158-Q163 WeakPolarHBondContact CA-O 3.38Å; V158-V164 HydrophobicContact CG1-CB 4.06Å; V158-V164 HydrophobicContact CG1-CG1 3.78Å; V158-V164 HydrophobicContact CG1-CG2 3.7Å; V158-A203 HydrophobicContact CB-CB 3.69Å; V158-A203 HydrophobicContact CG2-CB 4.09Å; V158-V206 HydrophobicContact CB-CB 4.43Å; V158-V206 HydrophobicContact CG1-CB 3.65Å; V158-V206 HydrophobicContact CG1-CG1 4.16Å; V158-V206 HydrophobicContact CG1-CG2 3.95Å; V158-V206 HydrophobicContact CG2-CB 3.86Å; V158-V206 HydrophobicContact CG2-CG1 4.05Å
159G98.3Very high97.1Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-158173.7-177.600000115.4I141 D161 M162 Q163 A203I141-G159 CarbonylContact O-C 3.49Å; I141-G159 WeakPolarHBondContact O-CA 3.3Å; G159-D161 PolarHBondContact O-N 2.82Å; G159-D161 VanDerWaalsContact O-N 3.09Å; G159-M162 PolarHBondContact O-N 2.86Å; G159-Q163 PolarHBondContact N-O 3.26Å; G159-A203 CarbonylContact C-O 3.54Å; G159-A203 WeakPolarHBondContact O-CB 3.35Å; G159-A203 PolarHBondContact O-N 3.22Å
160L98.3Very high97Very high39 Ų3931.8 Ų31.820%0.20415%0.153CC..THydrogen-bonded Turntrans-73.76.7177-53.9-172.3000112.9N140 I141 M162 L202N140-L160 HydrophobicContact CB-CB 4.41Å; N140-L160 PolarHBondContact ND2-O 2.98Å; I141-L160 HydrophobicContact CB-CB 4.44Å; I141-L160 HydrophobicContact CB-CD1 3.92Å; I141-L160 HydrophobicContact CB-CG 4.04Å; I141-L160 HydrophobicContact CD1-CD1 3.98Å; I141-L160 HydrophobicContact CG1-CD1 4.38Å; I141-L160 HydrophobicContact CG2-CD1 4.3Å; I141-L160 HydrophobicContact CG2-CG 4.37Å; I141-L160 PolarHBondContact O-N 3.11Å; L160-M162 VanDerWaalsContact C-N 3.27Å; L160-L202 HydrophobicContact CD2-CB 3.96Å; L160-L202 WeakPolarHBondContact O-CD2 3.39Å
161D97.9Very high96.9Very high11 Ų1131.7 Ų31.76%0.05915%0.151CC..THydrogen-bonded Turntrans-90.79.5165.665.3-6.7000112.6H138 T139 N140 G159 Q163H138-D161 WeakPolarHBondContact CA-OD2 3.28Å; H138-D161 WeakPolarHBondContact CB-OD2 3.5Å; H138-D161 IonicContact CE1-OD1 3.15Å; H138-D161 IonicContact CG-OD1 2.77Å; H138-D161 IonicContact CG-OD2 3.89Å; H138-D161 IonicContact ND1-OD1 3.3Å; H138-D161 PolarHBondContact ND1-OD1 3.34Å; H138-D161 IonicContact ND1-OD2 3.82Å; H138-D161 PolarHBondContact ND1-OD2 2.84Å; H138-D161 VanDerWaalsContact ND1-OD2 3.08Å; T139-D161 PolarHBondContact N-OD2 3.45Å; T139-D161 WeakPolarHBondContact OG1-CB 3.4Å; N140-D161 HydrophobicContact CB-CB 3.86Å; G159-D161 PolarHBondContact O-N 2.82Å; G159-D161 VanDerWaalsContact O-N 3.09Å; D161-Q163 PolarHBondContact O-N 3.37Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.15Å; D161-Q163 PolarHBondContact OD1-N 2.98Å; D161-Q163 VanDerWaalsContact OD1-N 3.1Å
162M97.7Very high96.4Very high44 Ų4432.3 Ų32.322%0.21717%0.169CC..SBendtrans64.415.3-179.8-50.1164.5-75.900113.1G159 L160 L180 Q181 P200 P201 L202G159-M162 PolarHBondContact O-N 2.86Å; L160-M162 VanDerWaalsContact C-N 3.27Å; M162-L180 WeakPolarHBondContact O-CG 3.31Å; M162-L180 PolarHBondContact O-N 2.93Å; M162-Q181 HydrophobicContact SD-CB 4.1Å; M162-P200 HydrophobicContact SD-CB 3.9Å; M162-P201 HydrophobicContact CB-CG 4.48Å; M162-P201 HydrophobicContact CG-CG 4.33Å; M162-P201 HydrophobicContact SD-CG 4.3Å; M162-L202 HydrophobicContact CG-CD2 3.96Å
163Q98.3Very high96.4Very high28 Ų2839.6 Ų39.613%0.13119%0.191CC..EExtended strand (participates in β ladder)trans-94.6141.6179.7-63-173.22700112H138 V158 G159 D161 I165 T177 L178H138-Q163 PolarHBondContact CE1-O 2.79Å; V158-Q163 WeakPolarHBondContact CA-O 3.38Å; G159-Q163 PolarHBondContact N-O 3.26Å; D161-Q163 PolarHBondContact O-N 3.37Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.15Å; D161-Q163 PolarHBondContact OD1-N 2.98Å; D161-Q163 VanDerWaalsContact OD1-N 3.1Å; Q163-I165 HydrophobicContact CB-CD1 4.33Å; Q163-I165 HydrophobicContact CB-CG1 4.08Å; Q163-T177 HydrophobicContact CB-CG2 4.31Å; Q163-T177 HydrophobicContact CG-CG2 4.22Å; Q163-L178 CarbonylContact C-O 3.59Å; Q163-L178 WeakPolarHBondContact CA-O 3.37Å
164V98.7Very high96.5Very high0 Ų038.3 Ų38.30%019%0.186CC..EExtended strand (participates in β ladder)trans-114.3123162.2-175.50000108.5V156 V158 W176 T177 L178 L180 L215 C217 M227V156-V164 HydrophobicContact CG1-CG1 3.6Å; V158-V164 HydrophobicContact CG1-CB 4.06Å; V158-V164 HydrophobicContact CG1-CG1 3.78Å; V158-V164 HydrophobicContact CG1-CG2 3.7Å; V164-W176 HydrophobicContact CG1-CH2 4.33Å; V164-W176 HydrophobicContact CG1-CZ3 4.17Å; V164-T177 WeakPolarHBondContact O-CA 3.25Å; V164-L178 PolarHBondContact N-O 2.8Å; V164-L178 PolarHBondContact O-N 2.85Å; V164-L180 HydrophobicContact CG2-CD1 4.16Å; V164-L180 HydrophobicContact CG2-CD2 3.85Å; V164-L180 HydrophobicContact CG2-CG 4.04Å; V164-L215 HydrophobicContact CG1-CD1 4.32Å; V164-C217 HydrophobicContact CG2-CB 4.24Å; V164-M227 HydrophobicContact CB-CE 3.69Å; V164-M227 HydrophobicContact CG1-CE 3.55Å; V164-M227 HydrophobicContact CG2-CE 3.5Å; V164-M227 VanDerWaalsContact CG2-CE 3.5Å
165I98.7Very high96.5Very high0 Ų039.4 Ų39.40%019%0.191CC..EExtended strand (participates in β ladder)trans-123.3122.2-171.8-48.1-178.2000109.5R137 V156 S157 Q163 W167 P174 T177R137-I165 HydrophobicContact CB-CD1 3.81Å; R137-I165 HydrophobicContact CG-CD1 3.62Å; V156-I165 VanDerWaalsContact CA-O 3.31Å; V156-I165 WeakPolarHBondContact CA-O 3.42Å; S157-I165 PolarHBondContact N-O 3.06Å; S157-I165 PolarHBondContact O-N 3.25Å; Q163-I165 HydrophobicContact CB-CD1 4.33Å; Q163-I165 HydrophobicContact CB-CG1 4.08Å; I165-W167 HydrophobicContact CB-CZ2 4.09Å; I165-W167 HydrophobicContact CD1-CZ2 3.96Å; I165-W167 HydrophobicContact CG2-CD2 3.87Å; I165-W167 HydrophobicContact CG2-CE3 4.42Å; I165-W167 HydrophobicContact CG2-CG 4.42Å; I165-W167 HydrophobicContact CG2-CH2 4.18Å; I165-W167 HydrophobicContact CG2-CZ2 3.54Å; I165-P174 HydrophobicContact CG2-CB 3.39Å; I165-P174 HydrophobicContact CG2-CG 4.23Å; I165-T177 HydrophobicContact CG1-CG2 4.17Å
166L98.6Very high96.5Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-93.1126.9169.3-177.672.7000109.8V156 L175 W176 I229 S233V156-L166 HydrophobicContact CG2-CD1 3.58Å; L166-L175 HydrophobicContact CB-CB 4.47Å; L166-L175 HydrophobicContact CD2-CB 4.16Å; L166-L175 HydrophobicContact CD2-CD1 3.87Å; L166-L175 HydrophobicContact CG-CB 4.27Å; L166-L175 HydrophobicContact CG-CD1 4Å; L166-L175 WeakPolarHBondContact O-CB 3.48Å; L166-L175 PolarHBondContact O-N 3.19Å; L166-W176 HydrophobicContact CB-CD2 3.72Å; L166-W176 HydrophobicContact CB-CE3 4.18Å; L166-W176 HydrophobicContact CB-CG 4.27Å; L166-W176 HydrophobicContact CB-CH2 3.88Å; L166-W176 HydrophobicContact CB-CZ2 3.4Å; L166-W176 HydrophobicContact CB-CZ3 4.24Å; L166-W176 HydrophobicContact CD2-CZ2 3.88Å; L166-W176 HydrophobicContact CG-CZ2 4.13Å; L166-W176 PolarHBondContact N-O 3.13Å; L166-I229 HydrophobicContact CD1-CD1 4.09Å; L166-I229 HydrophobicContact CD2-CD1 4.33Å; L166-I229 HydrophobicContact CD2-CG2 4.19Å; L166-S233 WeakPolarHBondContact CD2-O 3.45Å
167W98.4Very high96.4Very high9 Ų943.6 Ų43.63%0.03421%0.214CC..EExtended strand (participates in β ladder)trans-108148.4179.3-53.192.2000111.3L135 R137 N154 L155 S157 I165 P174L135-W167 HydrophobicContact CB-CD2 4.21Å; L135-W167 HydrophobicContact CB-CE3 4.07Å; L135-W167 HydrophobicContact CB-CH2 3.75Å; L135-W167 HydrophobicContact CB-CZ2 3.95Å; L135-W167 HydrophobicContact CB-CZ3 3.85Å; L135-W167 HydrophobicContact CD1-CB 4.07Å; L135-W167 HydrophobicContact CD1-CD2 3.76Å; L135-W167 HydrophobicContact CD1-CE3 4.07Å; L135-W167 HydrophobicContact CD1-CG 3.76Å; L135-W167 HydrophobicContact CD2-CE3 4.04Å; L135-W167 HydrophobicContact CD2-CZ3 4.27Å; L135-W167 HydrophobicContact CG-CD2 4.4Å; L135-W167 HydrophobicContact CG-CE3 4.29Å; L135-W167 HydrophobicContact CG-CZ3 4.49Å; R137-W167 HydrophobicContact CB-CH2 3.41Å; R137-W167 VanDerWaalsContact CB-CH2 3.41Å; R137-W167 HydrophobicContact CB-CZ2 3.88Å; R137-W167 HydrophobicContact CB-CZ3 4.48Å; R137-W167 HydrophobicContact CG-CH2 4.37Å; N154-W167 VanDerWaalsContact CA-O 3.32Å; N154-W167 WeakPolarHBondContact CA-O 3.3Å; L155-W167 HydrophobicContact CD1-CB 4.31Å; L155-W167 HydrophobicContact CD1-CG 4.16Å; L155-W167 HydrophobicContact CG-CB 4.13Å; L155-W167 PolarHBondContact N-O 2.93Å; L155-W167 PolarHBondContact O-N 2.9Å; S157-W167 PolarHBondContact OG-NE1 3.18Å; I165-W167 HydrophobicContact CB-CZ2 4.09Å; I165-W167 HydrophobicContact CD1-CZ2 3.96Å; I165-W167 HydrophobicContact CG2-CD2 3.87Å; I165-W167 HydrophobicContact CG2-CE3 4.42Å; I165-W167 HydrophobicContact CG2-CG 4.42Å; I165-W167 HydrophobicContact CG2-CH2 4.18Å; I165-W167 HydrophobicContact CG2-CZ2 3.54Å; W167-P174 HydrophobicContact CD2-CB 4.32Å; W167-P174 HydrophobicContact CE3-CB 3.84Å; W167-P174 HydrophobicContact CH2-CB 4.49Å; W167-P174 HydrophobicContact CZ3-CB 3.94Å; W167-P174 HydrophobicContact CZ3-CG 4.28Å
168G96.9Very high96.4Very high8 Ų844.6 Ų44.68%0.08222%0.219CC..EExtended strand (participates in β ladder)trans-121.7116.8162.800000107.6N153 Q170 K171N153-G168 CarbonylContact O-C 3.57Å; N153-G168 WeakPolarHBondContact O-CA 3.1Å; G168-Q170 PolarHBondContact O-N 2.9Å; G168-K171 PolarHBondContact O-N 2.99Å
169L95.2Very high96.3Very high6 Ų646.6 Ų46.63%0.03123%0.229CC..THydrogen-bonded Turntrans-61.4-18.4-175.1-61.1-172.1000112.8I123 R133 L135 F147 N153 L155 K171I123-L169 HydrophobicContact CD1-CD2 4.22Å; I123-L169 HydrophobicContact CG1-CD2 3.86Å; I123-L169 HydrophobicContact CG2-CD1 4.16Å; R133-L169 PolarHBondContact NE-O 3.16Å; R133-L169 PolarHBondContact NH1-O 2.85Å; R133-L169 VanDerWaalsContact NH1-O 3.08Å; R133-L169 PolarHBondContact NH2-O 2.97Å; L135-L169 HydrophobicContact CD1-CD2 4.29Å; F147-L169 HydrophobicContact CE1-CD1 4.33Å; N153-L169 HydrophobicContact CB-CB 4.34Å; N153-L169 WeakPolarHBondContact O-CG 3.47Å; N153-L169 PolarHBondContact O-N 3.06Å; L155-L169 HydrophobicContact CD2-CD2 3.73Å; L155-L169 HydrophobicContact CD2-CG 4.36Å; L169-K171 VanDerWaalsContact C-N 3.3Å
170Q93Very high96.1Very high139 Ų13946.6 Ų46.665%0.6523%0.229SC*.THydrogen-bonded Turntrans-80.7-8.4175.2-59.3-58.2-28.800113.8G168G168-Q170 PolarHBondContact O-N 2.9Å
171K90.9Very high95.8Very high127 Ų12746.1 Ų46.155%0.55223%0.226SC*.SBendtrans-116152.3-179.4-61.5-173.8-174.21770110.1G168 L169 L175G168-K171 PolarHBondContact O-N 2.99Å; L169-K171 VanDerWaalsContact C-N 3.3Å; K171-L175 HydrophobicContact CD-CD2 3.67Å
172T84.4Confident95.3Very high137 Ų13749.8 Ų49.884%0.8425%0.246SC*.SBendtrans-81.1-26.5177.252.10000112.9
173R92.8Very high94.6Very high199 Ų19948.3 Ų48.375%0.75124%0.24SC*.SBendtrans-103.8152.3179-66.4-175.8-179.5-131.7-0.1110.4
174P96.9Very high93.6Very high37 Ų3747.8 Ų47.824%0.2424%0.241CC..  trans-56.8149.5169.926.2-34.6000110.4I165 W167 W176I165-P174 HydrophobicContact CG2-CB 3.39Å; I165-P174 HydrophobicContact CG2-CG 4.23Å; W167-P174 HydrophobicContact CD2-CB 4.32Å; W167-P174 HydrophobicContact CE3-CB 3.84Å; W167-P174 HydrophobicContact CH2-CB 4.49Å; W167-P174 HydrophobicContact CZ3-CB 3.94Å; W167-P174 HydrophobicContact CZ3-CG 4.28Å; P174-W176 VanDerWaalsContact C-N 3.33Å
175L97.2Very high92.5Very high43 Ų4352.2 Ų52.223%0.22526%0.262CS..SBendtrans-67.8-39.1175-68.6171.2000110.6N154 L166 K171N154-L175 VanDerWaalsContact ND2-CD1 3.35Å; N154-L175 WeakPolarHBondContact ND2-CD1 3.41Å; L166-L175 HydrophobicContact CB-CB 4.47Å; L166-L175 HydrophobicContact CD2-CB 4.16Å; L166-L175 HydrophobicContact CD2-CD1 3.87Å; L166-L175 HydrophobicContact CG-CB 4.27Å; L166-L175 HydrophobicContact CG-CD1 4Å; L166-L175 WeakPolarHBondContact O-CB 3.48Å; L166-L175 PolarHBondContact O-N 3.19Å; K171-L175 HydrophobicContact CD-CD2 3.67Å
176W97.8Very high91Very high32 Ų3259.4 Ų59.412%0.12130%0.295CS..EExtended strand (participates in β ladder)trans-162.5163167.348.7-99.5000110V164 L166 P174 L178 L215 I229 S233 L235V164-W176 HydrophobicContact CG1-CH2 4.33Å; V164-W176 HydrophobicContact CG1-CZ3 4.17Å; L166-W176 HydrophobicContact CB-CD2 3.72Å; L166-W176 HydrophobicContact CB-CE3 4.18Å; L166-W176 HydrophobicContact CB-CG 4.27Å; L166-W176 HydrophobicContact CB-CH2 3.88Å; L166-W176 HydrophobicContact CB-CZ2 3.4Å; L166-W176 HydrophobicContact CB-CZ3 4.24Å; L166-W176 HydrophobicContact CD2-CZ2 3.88Å; L166-W176 HydrophobicContact CG-CZ2 4.13Å; L166-W176 PolarHBondContact N-O 3.13Å; P174-W176 VanDerWaalsContact C-N 3.33Å; W176-L178 HydrophobicContact CE3-CB 4.37Å; W176-L178 HydrophobicContact CZ3-CB 4.21Å; W176-L215 HydrophobicContact CH2-CD2 4.05Å; W176-L215 HydrophobicContact CZ2-CD2 4.34Å; W176-I229 HydrophobicContact CZ2-CG1 4.17Å; W176-S233 PolarHBondContact NE1-O 2.89Å; W176-S233 VanDerWaalsContact NE1-O 3.07Å; W176-L235 HydrophobicContact CD2-CB 4.26Å; W176-L235 HydrophobicContact CG-CB 4.38Å
177T97.7Very high89.4Confident57 Ų5763 Ų6335%0.3533%0.325SS..EExtended strand (participates in β ladder)trans-130.4133.3174.1-65.40000106.9Q163 V164 I165Q163-T177 HydrophobicContact CB-CG2 4.31Å; Q163-T177 HydrophobicContact CG-CG2 4.22Å; V164-T177 WeakPolarHBondContact O-CA 3.25Å; I165-T177 HydrophobicContact CG1-CG2 4.17Å
178L97.7Very high87.5Confident20 Ų2065.3 Ų65.311%0.10535%0.351CS..EExtended strand (participates in β ladder)trans-118.2130.7173.4178.264.3000108.4Q163 V164 W176 L180 A183 M227 L235Q163-L178 CarbonylContact C-O 3.59Å; Q163-L178 WeakPolarHBondContact CA-O 3.37Å; V164-L178 PolarHBondContact N-O 2.8Å; V164-L178 PolarHBondContact O-N 2.85Å; W176-L178 HydrophobicContact CE3-CB 4.37Å; W176-L178 HydrophobicContact CZ3-CB 4.21Å; L178-L180 HydrophobicContact CD2-CD2 4.34Å; L178-A183 HydrophobicContact CD1-CB 4.18Å; L178-M227 HydrophobicContact CD2-CE 4.11Å; L178-M227 HydrophobicContact CD2-CG 3.86Å; L178-M227 HydrophobicContact CD2-SD 4.5Å; L178-L235 HydrophobicContact CD1-CD2 4.24Å; L178-L235 HydrophobicContact CD2-CD2 4.28Å
179N97.2Very high85.6Confident42 Ų4269 Ų6923%0.22537%0.369CS..EExtended strand (participates in β ladder)trans-95.1121.5168.8-173.8-30.3000108.3Q181 D182 A183N179-Q181 PolarHBondContact O-N 3.09Å; N179-Q181 VanDerWaalsContact OD1-CB 3.22Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.46Å; N179-Q181 PolarHBondContact OD1-N 3.43Å; N179-D182 HydrophobicContact CB-CB 4.31Å; N179-D182 WeakPolarHBondContact CB-OD2 3.23Å; N179-D182 PolarHBondContact O-N 3.26Å; N179-A183 PolarHBondContact O-N 3.46Å; N179-A183 VanDerWaalsContact O-N 3.12Å
180L94.7Very high83.5Confident0 Ų074.6 Ų74.60%040%0.395CS..Hα-helixtrans-66.7-27.5-177.4-63.1-178.2000112.6M162 V164 L178 A183 A184 P201 A203 A219 H225 M227M162-L180 WeakPolarHBondContact O-CG 3.31Å; M162-L180 PolarHBondContact O-N 2.93Å; V164-L180 HydrophobicContact CG2-CD1 4.16Å; V164-L180 HydrophobicContact CG2-CD2 3.85Å; V164-L180 HydrophobicContact CG2-CG 4.04Å; L178-L180 HydrophobicContact CD2-CD2 4.34Å; L180-A183 PolarHBondContact O-N 2.85Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.82Å; L180-P201 HydrophobicContact CB-CB 3.87Å; L180-P201 HydrophobicContact CB-CG 3.76Å; L180-P201 HydrophobicContact CD1-CB 4.46Å; L180-A203 HydrophobicContact CD1-CB 4.07Å; L180-A219 HydrophobicContact CD1-CB 4.32Å; L180-H225 HydrophobicContact CD2-CB 3.84Å; L180-M227 HydrophobicContact CD2-CE 4.29Å
181Q90.7Very high81.5Confident30 Ų3076.3 Ų76.314%0.1440%0.403CS..Hα-helixtrans-64.2-51.2175.8-17755.235.400110.9M162 N179 A183 A184 E185 F198 P201M162-Q181 HydrophobicContact SD-CB 4.1Å; N179-Q181 PolarHBondContact O-N 3.09Å; N179-Q181 VanDerWaalsContact OD1-CB 3.22Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.46Å; N179-Q181 PolarHBondContact OD1-N 3.43Å; Q181-A183 VanDerWaalsContact C-N 3.28Å; Q181-A183 PolarHBondContact O-N 2.94Å; Q181-A184 PolarHBondContact O-N 2.79Å; Q181-E185 PolarHBondContact NE2-OE1 2.85Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 2.99Å; Q181-E185 VanDerWaalsContact O-N 3.13Å; Q181-F198 VanDerWaalsContact CD-CZ 3.42Å; Q181-P201 HydrophobicContact CB-CG 4.32Å
182D88.9Confident79.7Confident88 Ų8878 Ų7847%0.47141%0.413SS..Hα-helixtrans-61.8-40.2178.7-57.3-20.7000110.6N179 A184 E185 E186N179-D182 HydrophobicContact CB-CB 4.31Å; N179-D182 WeakPolarHBondContact CB-OD2 3.23Å; N179-D182 PolarHBondContact O-N 3.26Å; D182-A184 PolarHBondContact O-N 2.95Å; D182-E185 PolarHBondContact O-N 2.81Å; D182-E186 WeakPolarHBondContact O-CG 3.37Å; D182-E186 PolarHBondContact O-N 3.02Å; D182-E186 VanDerWaalsContact O-N 3.11Å
183A81.8Confident78Confident12 Ų1280.2 Ų80.210%0.09941%0.406CS..Hα-helixtrans-64.5-37.1178.400000113.2L178 N179 L180 Q181 A187L178-A183 HydrophobicContact CD1-CB 4.18Å; N179-A183 PolarHBondContact O-N 3.46Å; N179-A183 VanDerWaalsContact O-N 3.12Å; L180-A183 PolarHBondContact O-N 2.85Å; Q181-A183 VanDerWaalsContact C-N 3.28Å; Q181-A183 PolarHBondContact O-N 2.94Å; A183-A187 PolarHBondContact O-N 2.9Å
184A76.9Confident75.7Confident17 Ų1777.5 Ų77.514%0.1441%0.414CS..Hα-helixtrans-70.4-35.8176.700000111.9L180 Q181 D182 A187L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.82Å; Q181-A184 PolarHBondContact O-N 2.79Å; D182-A184 PolarHBondContact O-N 2.95Å; A184-A187 PolarHBondContact O-N 2.92Å
185E75.5Confident73.6Confident93 Ų9379.7 Ų79.744%0.43544%0.443SS..Hα-helixtrans-66.7-41.5176.6-71.5176.1-163.200112.2Q181 D182 A187 G188Q181-E185 PolarHBondContact NE2-OE1 2.85Å; Q181-E185 WeakPolarHBondContact O-CG 3.34Å; Q181-E185 PolarHBondContact O-N 2.99Å; Q181-E185 VanDerWaalsContact O-N 3.13Å; D182-E185 PolarHBondContact O-N 2.81Å; E185-A187 PolarHBondContact O-N 3.41Å; E185-G188 PolarHBondContact O-N 3.09Å
186E68.8Low71.7Confident152 Ų15284.1 Ų84.171%0.7146%0.463SS*.Hα-helixtrans-62.8-29.2175.3-72.8-178.5173.100113.2D182 G188 Q238D182-E186 WeakPolarHBondContact O-CG 3.37Å; D182-E186 PolarHBondContact O-N 3.02Å; D182-E186 VanDerWaalsContact O-N 3.11Å; E186-G188 PolarHBondContact O-N 2.8Å; E186-Q238 PolarHBondContact OE2-NE2 3.26Å
187A64.6Low69.6Low76 Ų7690.7 Ų90.763%0.62850%0.5SS*.THydrogen-bonded Turntrans-76-2-179.400000114.2A183 A184 E185A183-A187 PolarHBondContact O-N 2.9Å; A184-A187 PolarHBondContact O-N 2.92Å; E185-A187 PolarHBondContact O-N 3.41Å
188G58.5Low68.2Low56 Ų5694.5 Ų94.558%0.57751%0.512SS*.THydrogen-bonded Turntrans84.814.9172.300000115.5E185 E186 Q190E185-G188 PolarHBondContact O-N 3.09Å; E186-G188 PolarHBondContact O-N 2.8Å; G188-Q190 PolarHBondContact O-N 3.1Å
189D57.3Low67.3Low87 Ų8797.5 Ų97.547%0.46553%0.527SS..  trans-6810.4176.4-87.8-61.8000115Q191 R223D189-Q191 PolarHBondContact O-N 2.96Å; D189-R223 IonicContact OD1-CZ 2.74Å; D189-R223 IonicContact OD1-NH2 3.1Å; D189-R223 PolarHBondContact OD1-NH2 3.31Å; D189-R223 IonicContact OD2-CZ 3.09Å; D189-R223 IonicContact OD2-NH1 3.05Å; D189-R223 PolarHBondContact OD2-NH1 3.2Å; D189-R223 IonicContact OD2-NH2 3.03Å; D189-R223 PolarHBondContact OD2-NH2 3.45Å
190Q51.2Low67Low122 Ų12297 Ų9757%0.5753%0.527SS*.  trans-76.645.4178-65.8-164.61.800113.9G188 Q192G188-Q190 PolarHBondContact O-N 3.1Å; Q190-Q192 PolarHBondContact O-N 3.09Å
191Q49.9Very low66.9Low175 Ų17597.2 Ų97.282%0.81853%0.528SS*.  trans-86.267.3153.4-75.2175.53.700108.4D189 R193D189-Q191 PolarHBondContact O-N 2.96Å; Q191-R193 PolarHBondContact O-N 3.06Å
192Q53.1Low67.2Low164 Ų16498 Ų9877%0.76653%0.533SS*.  trans-63.297.1172.8-71.4-175-7.700108.9Q190Q190-Q192 PolarHBondContact O-N 3.09Å
193R49.4Very low67.7Low183 Ų18393.8 Ų93.869%0.69151%0.511SS*.  trans-78.2129168.5-70.2-168.1-73.3-164.8-4.5108.6Q191 G195 Q196Q191-R193 PolarHBondContact O-N 3.06Å; R193-G195 PolarHBondContact O-N 2.85Å; R193-Q196 PolarHBondContact O-N 3.37Å
194P43.6Very low68.4Low141 Ų14195.9 Ų95.992%0.91652%0.518SS*.THydrogen-bonded Turntrans-54.8124.7175.6-21.730.6000110.6
195G54.1Low69.5Low83 Ų8395.2 Ų95.286%0.85651%0.512SS*.THydrogen-bonded Turntrans101.81176.300000116.5R193R193-G195 PolarHBondContact O-N 2.85Å
196Q56.7Low70.6Confident136 Ų13691.1 Ų91.164%0.63649%0.494SS*.PPolyproline II helixtrans-81.3121.8175.1-161.7165.4-19.800110.7R193 F198R193-Q196 PolarHBondContact O-N 3.37Å; Q196-F198 PolarHBondContact O-N 3.25Å
197L54.5Low72Confident171 Ų17184.6 Ų84.690%0.89547%0.465SS*.PPolyproline II helixtrans-62.9124.7170.6-82.4156.5000108.8N199L197-N199 PolarHBondContact O-N 3.46Å
198F66.4Low73.6Confident137 Ų13781.7 Ų81.760%0.60144%0.439SS*.PPolyproline II helixtrans-71.5116177.1176.7-98.9000109.1Q181 Q196 P200Q181-F198 VanDerWaalsContact CD-CZ 3.42Å; Q196-F198 PolarHBondContact O-N 3.25Å; F198-P200 HydrophobicContact CD1-CB 4.32Å; F198-P200 HydrophobicContact CE1-CB 3.73Å; F198-P200 HydrophobicContact CE1-CG 4.38Å; F198-P200 HydrophobicContact CZ-CB 4.49Å; F198-P200 WeakPolarHBondContact O-CD 3.04Å
199N80.3Confident75.4Confident82 Ų8279 Ų7944%0.43941%0.412SS..  trans-97.8104.7169.8-155.116.5000108.4L197 E220L197-N199 PolarHBondContact O-N 3.46Å; N199-E220 PolarHBondContact ND2-O 3.41Å
200P89.6Confident77.1Confident33 Ų3376 Ų7621%0.21440%0.402CS..  trans-61.9148.3-179.521.7-29.2000110.9M162 F198 L202M162-P200 HydrophobicContact SD-CB 3.9Å; F198-P200 HydrophobicContact CD1-CB 4.32Å; F198-P200 HydrophobicContact CE1-CB 3.73Å; F198-P200 HydrophobicContact CE1-CG 4.38Å; F198-P200 HydrophobicContact CZ-CB 4.49Å; F198-P200 WeakPolarHBondContact O-CD 3.04Å; P200-L202 HydrophobicContact CB-CD2 4.11Å; P200-L202 HydrophobicContact CB-CG 4.29Å; P200-L202 HydrophobicContact CG-CD1 4.44Å; P200-L202 HydrophobicContact CG-CD2 4.07Å; P200-L202 HydrophobicContact CG-CG 4.01Å; P200-L202 PolarHBondContact O-N 3.46Å
201P93.8Very high79.1Confident3 Ų372.3 Ų72.32%0.01939%0.388CS..  trans-77.661.2176.533.8-36.4000111.1M162 L180 Q181 A203 A219 D221M162-P201 HydrophobicContact CB-CG 4.48Å; M162-P201 HydrophobicContact CG-CG 4.33Å; M162-P201 HydrophobicContact SD-CG 4.3Å; L180-P201 HydrophobicContact CB-CB 3.87Å; L180-P201 HydrophobicContact CB-CG 3.76Å; L180-P201 HydrophobicContact CD1-CB 4.46Å; Q181-P201 HydrophobicContact CB-CG 4.32Å; P201-A203 PolarHBondContact O-N 3.03Å; P201-A219 HydrophobicContact CB-CB 4.2Å; P201-D221 HydrophobicContact CB-CB 4.25Å
202L97Very high81.3Confident47 Ų4764 Ų6425%0.24635%0.35CS..  trans-61.9124.2173.7-52.3179.4000108.3L160 M162 P200 A219 E220L160-L202 HydrophobicContact CD2-CB 3.96Å; L160-L202 WeakPolarHBondContact O-CD2 3.39Å; M162-L202 HydrophobicContact CG-CD2 3.96Å; P200-L202 HydrophobicContact CB-CD2 4.11Å; P200-L202 HydrophobicContact CB-CG 4.29Å; P200-L202 HydrophobicContact CG-CD1 4.44Å; P200-L202 HydrophobicContact CG-CD2 4.07Å; P200-L202 HydrophobicContact CG-CG 4.01Å; P200-L202 PolarHBondContact O-N 3.46Å; L202-A219 CarbonylContact O-C 3.54Å; L202-A219 WeakPolarHBondContact O-CA 3.46Å; L202-A219 WeakPolarHBondContact O-CB 3.34Å; L202-E220 HydrophobicContact CB-CB 3.92Å; L202-E220 HydrophobicContact CG-CB 4.33Å; L202-E220 PolarHBondContact O-N 2.93Å
203A98.1Very high83.3Confident0 Ų059.4 Ų59.40%033%0.331CS..EExtended strand (participates in β ladder)trans-85.6128.8-174.700000110.7S143 V158 G159 L180 P201 C217S143-A203 WeakPolarHBondContact CB-O 3.29Å; S143-A203 PolarHBondContact OG-O 2.94Å; V158-A203 HydrophobicContact CB-CB 3.69Å; V158-A203 HydrophobicContact CG2-CB 4.09Å; G159-A203 CarbonylContact C-O 3.54Å; G159-A203 WeakPolarHBondContact O-CB 3.35Å; G159-A203 PolarHBondContact O-N 3.22Å; L180-A203 HydrophobicContact CD1-CB 4.07Å; P201-A203 PolarHBondContact O-N 3.03Å; A203-C217 WeakPolarHBondContact CB-SG 3.36Å
204H98.3Very high85.6Confident55 Ų5550.8 Ų50.826%0.25530%0.299SS..EExtended strand (participates in β ladder)trans-109.6-42-174.9-69.8-57.1000113.3S143 S144 A218 E220S143-H204 PolarHBondContact OG-O 3.38Å; S144-H204 WeakPolarHBondContact CB-O 3.2Å; H204-A218 PolarHBondContact N-O 3.36Å; H204-E220 IonicContact CD2-OE2 2.62Å; H204-E220 IonicContact CE1-OE2 3.98Å; H204-E220 IonicContact NE2-OE2 3.73Å; H204-E220 PolarHBondContact NE2-OE2 3.25Å
205C98.5Very high88.2Confident3 Ų344.1 Ų44.12%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-138.8139.8-174.7173.30000110.7C217 A218 S249 Q250 H252C205-C217 CarbonylContact O-C 3.58Å; C205-C217 VanDerWaalsContact O-CA 3.28Å; C205-C217 WeakPolarHBondContact O-CA 3.42Å; C205-A218 HydrophobicContact CB-CB 4.17Å; C205-A218 PolarHBondContact O-N 3.09Å; C205-S249 WeakPolarHBondContact CB-O 3.15Å; C205-Q250 PolarHBondContact SG-OE1 3.15Å; C205-H252 VanDerWaalsContact SG-CE1 3.58Å
206V98.6Very high90.3Very high7 Ų740.1 Ų40.14%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-123138.4171.168.20000111.7S144 A146 V156 V158 L215 G216S144-V206 PolarHBondContact OG-N 2.8Å; A146-V206 HydrophobicContact CB-CG1 4.06Å; V156-V206 HydrophobicContact CB-CG2 4.18Å; V156-V206 HydrophobicContact CG1-CG2 3.75Å; V158-V206 HydrophobicContact CB-CB 4.43Å; V158-V206 HydrophobicContact CG1-CB 3.65Å; V158-V206 HydrophobicContact CG1-CG1 4.16Å; V158-V206 HydrophobicContact CG1-CG2 3.95Å; V158-V206 HydrophobicContact CG2-CB 3.86Å; V158-V206 HydrophobicContact CG2-CG1 4.05Å; V206-L215 HydrophobicContact CG2-CD1 4.28Å; V206-G216 WeakPolarHBondContact CA-O 3.47Å
207S98.4Very high92.3Very high15 Ų1533.7 Ų33.711%0.10518%0.184CC..EExtended strand (participates in β ladder)trans-136.5140.3173-176.50000110.5L215 G216 A251 F253S207-L215 CarbonylContact O-C 3.56Å; S207-L215 VanDerWaalsContact O-CA 3.23Å; S207-L215 WeakPolarHBondContact O-CA 3.49Å; S207-L215 WeakPolarHBondContact O-CB 3.47Å; S207-G216 PolarHBondContact N-O 3.07Å; S207-G216 PolarHBondContact O-N 3.22Å; S207-A251 WeakPolarHBondContact CB-O 3.38Å; S207-F253 WeakPolarHBondContact O-CE2 3.26Å; S207-F253 PolarHBondContact OG-N 3.02Å; S207-F253 VanDerWaalsContact OG-N 3.09Å
208V97.8Very high94.4Very high15 Ų1525.5 Ų25.59%0.09114%0.141CC..EExtended strand (participates in β ladder)trans-108.3128.2175.6-169.30000108.5A146 R148 V156 V214 L215A146-V208 HydrophobicContact CB-CG2 4.24Å; R148-V208 HydrophobicContact CG-CG1 4.34Å; V156-V208 HydrophobicContact CG2-CG2 4.02Å; V208-V214 WeakPolarHBondContact CG1-O 3.48Å; V208-L215 HydrophobicContact CB-CB 4.49Å; V208-L215 HydrophobicContact CG1-CB 4.45Å; V208-L215 HydrophobicContact CG2-CB 4.12Å
209S96.8Very high95.9Very high0 Ų019 Ų190%011%0.113CC..  trans-57.3148.6175.1171.60000110.8C211 G212 V214 F253 P260S209-C211 PolarHBondContact O-N 3.2Å; S209-G212 WeakPolarHBondContact O-CA 3.34Å; S209-G212 PolarHBondContact O-N 2.86Å; S209-V214 VanDerWaalsContact CB-O 3.31Å; S209-V214 WeakPolarHBondContact CB-O 3.27Å; S209-V214 PolarHBondContact N-O 3.13Å; S209-F253 VanDerWaalsContact N-CD2 3.27Å; S209-P260 PolarHBondContact OG-O 3.07Å
210G93.8Very high96.6Very high25 Ų2517 Ų1726%0.25810%0.101SC..THydrogen-bonded Turntrans-56-21.5-179.600000114.8P149 H150 G212P149-G210 WeakPolarHBondContact CB-O 3.47Å; H150-G210 PolarHBondContact NE2-O 2.9Å; G210-G212 PolarHBondContact O-N 3.13Å
211C93.4Very high96.8Very high43 Ų4316.6 Ų16.629%0.29110%0.097SC..THydrogen-bonded Turntrans-75.7-12.2173.471.30000113.9S209 N213 P260S209-C211 PolarHBondContact O-N 3.2Å; C211-N213 PolarHBondContact O-N 3.44Å; C211-N213 PolarHBondContact SG-N 3.04Å; C211-P260 HydrophobicContact CB-CG 4.31Å
212G95.3Very high96.9Very high1 Ų116.4 Ų16.41%0.0110%0.096CC..SBendtrans74.6-0.8-178.500000115.3R148 S209 G210R148-G212 PolarHBondContact NE-O 3.25Å; R148-G212 PolarHBondContact NH2-O 2.8Å; S209-G212 WeakPolarHBondContact O-CA 3.34Å; S209-G212 PolarHBondContact O-N 2.86Å; G210-G212 PolarHBondContact O-N 3.13Å
213N95.4Very high96.8Very high68 Ų6816.6 Ų16.636%0.3649%0.093SC..SBendtrans-109.5-4.5-173.9-65.2-19.9000114R148 C211 R228 I229R148-N213 PolarHBondContact NH2-OD1 2.98Å; C211-N213 PolarHBondContact O-N 3.44Å; C211-N213 PolarHBondContact SG-N 3.04Å; N213-R228 CarbonylContact O-C 3.59Å; N213-R228 WeakPolarHBondContact O-CA 3.35Å; N213-R228 WeakPolarHBondContact O-CG 3.05Å; N213-I229 PolarHBondContact O-N 3.31Å
214V97.3Very high96.8Very high2 Ų216.6 Ų16.61%0.0129%0.093CC..EExtended strand (participates in β ladder)trans-128.2136.9176.4179.30000107.5V208 S209 M227 F253 V283V208-V214 WeakPolarHBondContact CG1-O 3.48Å; S209-V214 VanDerWaalsContact CB-O 3.31Å; S209-V214 WeakPolarHBondContact CB-O 3.27Å; S209-V214 PolarHBondContact N-O 3.13Å; V214-M227 WeakPolarHBondContact CA-O 3.36Å; V214-F253 HydrophobicContact CG1-CE1 4.24Å; V214-F253 HydrophobicContact CG1-CZ 3.72Å; V214-V283 HydrophobicContact CG1-CG2 3.94Å; V214-V283 HydrophobicContact CG2-CG1 4.37Å; V214-V283 HydrophobicContact CG2-CG2 4.36Å
215L98Very high96.7Very high0 Ų014.4 Ų14.40%08%0.083CC..EExtended strand (participates in β ladder)trans-132.3158.5170.771.593.5000110.3V156 V164 W176 V206 S207 V208 L226 M227 I229V156-L215 HydrophobicContact CG1-CD2 4.33Å; V156-L215 HydrophobicContact CG2-CD2 3.92Å; V164-L215 HydrophobicContact CG1-CD1 4.32Å; W176-L215 HydrophobicContact CH2-CD2 4.05Å; W176-L215 HydrophobicContact CZ2-CD2 4.34Å; V206-L215 HydrophobicContact CG2-CD1 4.28Å; S207-L215 CarbonylContact O-C 3.56Å; S207-L215 VanDerWaalsContact O-CA 3.23Å; S207-L215 WeakPolarHBondContact O-CA 3.49Å; S207-L215 WeakPolarHBondContact O-CB 3.47Å; V208-L215 HydrophobicContact CB-CB 4.49Å; V208-L215 HydrophobicContact CG1-CB 4.45Å; V208-L215 HydrophobicContact CG2-CB 4.12Å; L215-L226 WeakPolarHBondContact O-CA 3.45Å; L215-M227 HydrophobicContact CD1-CB 4.05Å; L215-M227 HydrophobicContact CD1-CE 3.46Å; L215-M227 VanDerWaalsContact CD1-CE 3.46Å; L215-M227 HydrophobicContact CD1-CG 4.37Å; L215-M227 HydrophobicContact CD1-SD 3.71Å; L215-M227 HydrophobicContact CD2-CB 4.29Å; L215-M227 HydrophobicContact CG-CB 3.96Å; L215-M227 PolarHBondContact N-O 3.25Å; L215-M227 PolarHBondContact O-N 3.37Å; L215-I229 HydrophobicContact CD2-CD1 3.79Å; L215-I229 HydrophobicContact CD2-CG1 3.99Å
216G98.2Very high96.7Very high0 Ų014.2 Ų14.20%08%0.082CC..EExtended strand (participates in β ladder)trans-130.3140.9-179.900000109.1V206 S207 H225V206-G216 WeakPolarHBondContact CA-O 3.47Å; S207-G216 PolarHBondContact N-O 3.07Å; S207-G216 PolarHBondContact O-N 3.22Å; G216-H225 CarbonylContact C-O 3.56Å; G216-H225 VanDerWaalsContact CA-O 3.28Å; G216-H225 WeakPolarHBondContact CA-O 3.45Å
217C98.5Very high96.7Very high0 Ų014 Ų140%08%0.08CC..EExtended strand (participates in β ladder)trans-128.2112.9179.31800000109.2V164 A203 C205 V224 H225 M227V164-C217 HydrophobicContact CG2-CB 4.24Å; A203-C217 WeakPolarHBondContact CB-SG 3.36Å; C205-C217 CarbonylContact O-C 3.58Å; C205-C217 VanDerWaalsContact O-CA 3.28Å; C205-C217 WeakPolarHBondContact O-CA 3.42Å; C217-V224 CarbonylContact O-C 3.56Å; C217-V224 VanDerWaalsContact O-CA 3.32Å; C217-V224 WeakPolarHBondContact O-CA 3.46Å; C217-H225 HydrophobicContact CB-CB 4.32Å; C217-H225 PolarHBondContact N-O 2.57Å; C217-H225 PolarHBondContact O-N 2.94Å; C217-M227 HydrophobicContact CB-CE 4.12Å
218A98.4Very high96.6Very high0 Ų016.3 Ų16.30%09%0.087CC..EExtended strand (participates in β ladder)trans-76.5132.9173.300000109.6H204 C205 V224 A248 A251H204-A218 PolarHBondContact N-O 3.36Å; C205-A218 HydrophobicContact CB-CB 4.17Å; C205-A218 PolarHBondContact O-N 3.09Å; A218-V224 HydrophobicContact CB-CG2 4.47Å; A218-A248 CarbonylContact C-O 3.53Å; A218-A248 HydrophobicContact CB-CB 4.05Å; A218-A248 WeakPolarHBondContact CB-O 3.32Å; A218-A251 HydrophobicContact CB-CB 3.87Å
219A97.8Very high96.5Very high0 Ų015.7 Ų15.70%08%0.083CC..EExtended strand (participates in β ladder)trans-133.6158.2-176.400000113.5L180 P201 L202 D221 G222 R223 A248L180-A219 HydrophobicContact CD1-CB 4.32Å; P201-A219 HydrophobicContact CB-CB 4.2Å; L202-A219 CarbonylContact O-C 3.54Å; L202-A219 WeakPolarHBondContact O-CA 3.46Å; L202-A219 WeakPolarHBondContact O-CB 3.34Å; A219-D221 WeakPolarHBondContact CB-OD1 3.5Å; A219-D221 PolarHBondContact O-N 3.22Å; A219-D221 VanDerWaalsContact O-N 3.17Å; A219-G222 PolarHBondContact O-N 3.47Å; A219-R223 PolarHBondContact N-O 2.92Å; A219-A248 PolarHBondContact N-O 2.91Å; A219-A248 PolarHBondContact O-N 2.91Å
220E96.3Very high96.4Very high40 Ų4016.1 Ų16.119%0.1879%0.087CC..THydrogen-bonded Turntrans-62.7-21-177.1-170.557.3-134.500113.3N199 L202 H204 G222 G247N199-E220 PolarHBondContact ND2-O 3.41Å; L202-E220 HydrophobicContact CB-CB 3.92Å; L202-E220 HydrophobicContact CG-CB 4.33Å; L202-E220 PolarHBondContact O-N 2.93Å; H204-E220 IonicContact CD2-OE2 2.62Å; H204-E220 IonicContact CE1-OE2 3.98Å; H204-E220 IonicContact NE2-OE2 3.73Å; H204-E220 PolarHBondContact NE2-OE2 3.25Å; E220-G222 PolarHBondContact O-N 2.93Å; E220-G247 WeakPolarHBondContact O-CA 3.31Å
221D93.6Very high96.3Very high24 Ų2417.7 Ų17.713%0.12810%0.103CC..THydrogen-bonded Turntrans-67.6-1.4171.669.3-5000113.8P201 A219 R223 H225 K242P201-D221 HydrophobicContact CB-CB 4.25Å; A219-D221 WeakPolarHBondContact CB-OD1 3.5Å; A219-D221 PolarHBondContact O-N 3.22Å; A219-D221 VanDerWaalsContact O-N 3.17Å; D221-R223 VanDerWaalsContact C-N 3.31Å; D221-R223 VanDerWaalsContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CB 3.31Å; D221-R223 PolarHBondContact OD1-N 3.38Å; D221-R223 WeakPolarHBondContact OD2-CD 3.46Å; D221-H225 IonicContact OD1-NE2 3.59Å; D221-H225 IonicContact OD2-CE1 2.92Å; D221-H225 IonicContact OD2-NE2 3.08Å; D221-H225 PolarHBondContact OD2-NE2 3.21Å; D221-K242 PolarHBondContact O-NZ 3.14Å
222G94.6Very high96.1Very high0 Ų018.6 Ų18.60%012%0.12CC..SBendtrans7913.7-17900000113.9A219 E220 A243 H244 Q246A219-G222 PolarHBondContact O-N 3.47Å; E220-G222 PolarHBondContact O-N 2.93Å; G222-A243 PolarHBondContact O-N 2.91Å; G222-H244 PolarHBondContact O-N 2.83Å; G222-Q246 WeakPolarHBondContact CA-O 3.34Å
223R96.1Very high96Very high50 Ų5019.1 Ų19.119%0.18912%0.123CC..EExtended strand (participates in β ladder)trans-104.1157.6177.9-60.9-179.7172.9-174.8-5.6110.9D189 A219 D221 A240 I241 K242D189-R223 IonicContact OD1-CZ 2.74Å; D189-R223 IonicContact OD1-NH2 3.1Å; D189-R223 PolarHBondContact OD1-NH2 3.31Å; D189-R223 IonicContact OD2-CZ 3.09Å; D189-R223 IonicContact OD2-NH1 3.05Å; D189-R223 PolarHBondContact OD2-NH1 3.2Å; D189-R223 IonicContact OD2-NH2 3.03Å; D189-R223 PolarHBondContact OD2-NH2 3.45Å; A219-R223 PolarHBondContact N-O 2.92Å; D221-R223 VanDerWaalsContact C-N 3.31Å; D221-R223 VanDerWaalsContact OD1-CB 3.28Å; D221-R223 WeakPolarHBondContact OD1-CB 3.31Å; D221-R223 PolarHBondContact OD1-N 3.38Å; D221-R223 WeakPolarHBondContact OD2-CD 3.46Å; R223-A240 HydrophobicContact CB-CB 4.39Å; R223-I241 VanDerWaalsContact CA-O 3.23Å; R223-I241 WeakPolarHBondContact CA-O 3.32Å; R223-I241 WeakPolarHBondContact CB-O 3.38Å; R223-K242 HydrophobicContact CG-CD 3.9Å
224V97.6Very high96Very high0 Ų023 Ų230%014%0.137CC..EExtended strand (participates in β ladder)trans-108.3111.7159.3-178.20000107.8C217 A218 L226 A240 I241 A243 A248 A251 M263 T265C217-V224 CarbonylContact O-C 3.56Å; C217-V224 VanDerWaalsContact O-CA 3.32Å; C217-V224 WeakPolarHBondContact O-CA 3.46Å; A218-V224 HydrophobicContact CB-CG2 4.47Å; V224-L226 HydrophobicContact CG1-CD2 4.2Å; V224-A240 WeakPolarHBondContact O-CA 3.33Å; V224-I241 HydrophobicContact CB-CD1 4.32Å; V224-I241 HydrophobicContact CB-CG1 3.89Å; V224-I241 PolarHBondContact N-O 2.82Å; V224-I241 PolarHBondContact O-N 3.08Å; V224-A243 HydrophobicContact CG2-CB 4.02Å; V224-A248 HydrophobicContact CG2-CB 4.5Å; V224-A251 HydrophobicContact CG1-CB 3.94Å; V224-A251 HydrophobicContact CG2-CB 3.91Å; V224-M263 HydrophobicContact CB-CE 3.99Å; V224-M263 HydrophobicContact CG1-CE 3.65Å; V224-M263 HydrophobicContact CG1-SD 3.87Å; V224-M263 HydrophobicContact CG2-CE 4.27Å; V224-T265 HydrophobicContact CG2-CG2 3.7Å
225H97.3Very high96Very high9 Ų925.6 Ų25.64%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-77.7127.7176.2-67.3-98.3000108.8L180 G216 C217 D221 M227 G239L180-H225 HydrophobicContact CD2-CB 3.84Å; G216-H225 CarbonylContact C-O 3.56Å; G216-H225 VanDerWaalsContact CA-O 3.28Å; G216-H225 WeakPolarHBondContact CA-O 3.45Å; C217-H225 HydrophobicContact CB-CB 4.32Å; C217-H225 PolarHBondContact N-O 2.57Å; C217-H225 PolarHBondContact O-N 2.94Å; D221-H225 IonicContact OD1-NE2 3.59Å; D221-H225 IonicContact OD2-CE1 2.92Å; D221-H225 IonicContact OD2-NE2 3.08Å; D221-H225 PolarHBondContact OD2-NE2 3.21Å; H225-M227 HydrophobicContact CB-SD 4.13Å; H225-G239 CarbonylContact C-O 3.45Å
226L97.8Very high95.8Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-110.7132.8-176.3-63.1177.4000109.7L215 V224 Q238 G239 I241 F253 M263 L277 V282L215-L226 WeakPolarHBondContact O-CA 3.45Å; V224-L226 HydrophobicContact CG1-CD2 4.2Å; L226-Q238 CarbonylContact O-C 3.56Å; L226-Q238 VanDerWaalsContact O-CA 3.29Å; L226-Q238 WeakPolarHBondContact O-CA 3.32Å; L226-G239 PolarHBondContact N-O 3.22Å; L226-G239 PolarHBondContact O-N 3.32Å; L226-I241 HydrophobicContact CD1-CG2 4.12Å; L226-F253 HydrophobicContact CD2-CZ 4.48Å; L226-M263 HydrophobicContact CD2-CE 4.38Å; L226-M263 HydrophobicContact CD2-SD 4.35Å; L226-L277 HydrophobicContact CD1-CD1 4.04Å; L226-L277 HydrophobicContact CD1-CD2 4.34Å; L226-L277 HydrophobicContact CD2-CD1 3.96Å; L226-V282 HydrophobicContact CB-CB 4.32Å; L226-V282 HydrophobicContact CB-CG1 4.08Å
227M97.8Very high95.6Very high1 Ų134.7 Ų34.71%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-133139.7-179.8-59.979.7108.400110.7V164 L178 L180 V214 L215 C217 H225 L235 Q237 Q238V164-M227 HydrophobicContact CB-CE 3.69Å; V164-M227 HydrophobicContact CG1-CE 3.55Å; V164-M227 HydrophobicContact CG2-CE 3.5Å; V164-M227 VanDerWaalsContact CG2-CE 3.5Å; L178-M227 HydrophobicContact CD2-CE 4.11Å; L178-M227 HydrophobicContact CD2-CG 3.86Å; L178-M227 HydrophobicContact CD2-SD 4.5Å; L180-M227 HydrophobicContact CD2-CE 4.29Å; V214-M227 WeakPolarHBondContact CA-O 3.36Å; L215-M227 HydrophobicContact CD1-CB 4.05Å; L215-M227 HydrophobicContact CD1-CE 3.46Å; L215-M227 VanDerWaalsContact CD1-CE 3.46Å; L215-M227 HydrophobicContact CD1-CG 4.37Å; L215-M227 HydrophobicContact CD1-SD 3.71Å; L215-M227 HydrophobicContact CD2-CB 4.29Å; L215-M227 HydrophobicContact CG-CB 3.96Å; L215-M227 PolarHBondContact N-O 3.25Å; L215-M227 PolarHBondContact O-N 3.37Å; C217-M227 HydrophobicContact CB-CE 4.12Å; H225-M227 HydrophobicContact CB-SD 4.13Å; M227-L235 HydrophobicContact CB-CD1 3.77Å; M227-L235 HydrophobicContact CG-CD1 4.13Å; M227-Q237 WeakPolarHBondContact CA-O 3.49Å; M227-Q238 HydrophobicContact CG-CB 4.31Å
228R97.1Very high95.4Very high65 Ų6537.6 Ų37.625%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-102.7122.5175-163.4178.3-134.5-1211.4110.5N213 E236 Q237 V282 V283N213-R228 CarbonylContact O-C 3.59Å; N213-R228 WeakPolarHBondContact O-CA 3.35Å; N213-R228 WeakPolarHBondContact O-CG 3.05Å; R228-E236 HydrophobicContact CB-CB 4.5Å; R228-E236 IonicContact NH1-OE2 3.98Å; R228-E236 PolarHBondContact O-N 3.1Å; R228-Q237 HydrophobicContact CB-CB 3.95Å; R228-Q237 PolarHBondContact N-O 2.9Å; R228-V282 HydrophobicContact CB-CG1 4.06Å; R228-V282 WeakPolarHBondContact CD-O 3.47Å; R228-V282 PolarHBondContact NE-O 2.97Å; R228-V283 PolarHBondContact NE-O 2.83Å; R228-V283 PolarHBondContact NH2-O 3Å
229I96.5Very high95.2Very high2 Ų239 Ų391%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-91.1115.8172.5-53.7170.3000108.9L166 W176 N213 L215L166-I229 HydrophobicContact CD1-CD1 4.09Å; L166-I229 HydrophobicContact CD2-CD1 4.33Å; L166-I229 HydrophobicContact CD2-CG2 4.19Å; W176-I229 HydrophobicContact CZ2-CG1 4.17Å; N213-I229 PolarHBondContact O-N 3.31Å; L215-I229 HydrophobicContact CD2-CD1 3.79Å; L215-I229 HydrophobicContact CD2-CG1 3.99Å
230G93.6Very high95Very high9 Ų940.5 Ų40.59%0.09323%0.233CC..  trans-86.9-169.4-179.500000117.3G232 S233 K234 E236G230-G232 PolarHBondContact O-N 3.26Å; G230-S233 PolarHBondContact O-N 2.91Å; G230-K234 PolarHBondContact N-O 3.14Å; G230-E236 WeakPolarHBondContact CA-OE1 3.14Å
231G90.9Very high95Very high57 Ų5739 Ų3959%0.58823%0.226SC*.G310 helixtrans-52.8132.9170.200000112S233 E236G231-S233 PolarHBondContact O-N 3.06Å; G231-E236 PolarHBondContact N-OE1 3.42Å
232G89.5Confident95Very high63 Ų6343.3 Ų43.365%0.64924%0.244SC*.G310 helixtrans68.216.7-177.800000114.7G230 K234G230-G232 PolarHBondContact O-N 3.26Å; G232-K234 VanDerWaalsContact C-N 3.34Å; G232-K234 PolarHBondContact O-N 3.23Å
233S93.8Very high95Very high11 Ų1144 Ų448%0.07725%0.25CC..G310 helixtrans65.831.2179.5-54.90000114.5R148 N154 L166 W176 G230 G231R148-S233 PolarHBondContact NH1-OG 3.5Å; N154-S233 PolarHBondContact ND2-OG 2.9Å; L166-S233 WeakPolarHBondContact CD2-O 3.45Å; W176-S233 PolarHBondContact NE1-O 2.89Å; W176-S233 VanDerWaalsContact NE1-O 3.07Å; G230-S233 PolarHBondContact O-N 2.91Å; G231-S233 PolarHBondContact O-N 3.06Å
234K95.6Very high95Very high150 Ų15041.8 Ų41.865%0.65224%0.241SC*.  trans-84.9151.1172.9-63.9-178.7179.2-179.10110.7G230 G232 E236G230-K234 PolarHBondContact N-O 3.14Å; G232-K234 VanDerWaalsContact C-N 3.34Å; G232-K234 PolarHBondContact O-N 3.23Å; K234-E236 PolarHBondContact O-N 3.42Å
235L96.4Very high94.9Very high57 Ų5746.2 Ų46.230%0.29827%0.273SS..EExtended strand (participates in β ladder)trans-70.8118.8167.2-179.162.4000108.5W176 L178 M227 Q237W176-L235 HydrophobicContact CD2-CB 4.26Å; W176-L235 HydrophobicContact CG-CB 4.38Å; L178-L235 HydrophobicContact CD1-CD2 4.24Å; L178-L235 HydrophobicContact CD2-CD2 4.28Å; M227-L235 HydrophobicContact CB-CD1 3.77Å; M227-L235 HydrophobicContact CG-CD1 4.13Å; L235-Q237 WeakPolarHBondContact CD1-O 3.47Å
236E94.4Very high94.8Very high93 Ų9350.7 Ų50.744%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-99.6-41.4-178.6-91.9178.9-16900112.6R228 G230 G231 K234R228-E236 HydrophobicContact CB-CB 4.5Å; R228-E236 IonicContact NH1-OE2 3.98Å; R228-E236 PolarHBondContact O-N 3.1Å; G230-E236 WeakPolarHBondContact CA-OE1 3.14Å; G231-E236 PolarHBondContact N-OE1 3.42Å; K234-E236 PolarHBondContact O-N 3.42Å
237Q93.9Very high94.7Very high98 Ų9850.7 Ų50.746%0.45829%0.294SS..EExtended strand (participates in β ladder)trans-147.4151.1-176.1-66.4-65.5-56.900109.4M227 R228 L235 V282M227-Q237 WeakPolarHBondContact CA-O 3.49Å; R228-Q237 HydrophobicContact CB-CB 3.95Å; R228-Q237 PolarHBondContact N-O 2.9Å; L235-Q237 WeakPolarHBondContact CD1-O 3.47Å; Q237-V282 HydrophobicContact CB-CG1 4.28Å
238Q94.9Very high94.6Very high60 Ų6050.7 Ų50.728%0.2829%0.294SS..EExtended strand (participates in β ladder)trans-140.7158.5172.271.1-171.316.300110.1E186 L226 M227 V282E186-Q238 PolarHBondContact OE2-NE2 3.26Å; L226-Q238 CarbonylContact O-C 3.56Å; L226-Q238 VanDerWaalsContact O-CA 3.29Å; L226-Q238 WeakPolarHBondContact O-CA 3.32Å; M227-Q238 HydrophobicContact CG-CB 4.31Å; Q238-V282 VanDerWaalsContact C-CG2 3.48Å
239G93.3Very high94.7Very high29 Ų2948.3 Ų48.330%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-178-171.1176.100000109.2H225 L226H225-G239 CarbonylContact C-O 3.45Å; L226-G239 PolarHBondContact N-O 3.22Å; L226-G239 PolarHBondContact O-N 3.32Å
240A94.6Very high94.7Very high32 Ų3248.8 Ų48.826%0.26429%0.289SS..EExtended strand (participates in β ladder)trans-150.6161.1178.300000111R223 V224R223-A240 HydrophobicContact CB-CB 4.39Å; V224-A240 WeakPolarHBondContact O-CA 3.33Å
241I94.8Very high94.9Very high8 Ų848.3 Ų48.34%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-116.1139.1164.560.8170.2000109R223 V224 L226 A243 M263 W275 L277R223-I241 VanDerWaalsContact CA-O 3.23Å; R223-I241 WeakPolarHBondContact CA-O 3.32Å; R223-I241 WeakPolarHBondContact CB-O 3.38Å; V224-I241 HydrophobicContact CB-CD1 4.32Å; V224-I241 HydrophobicContact CB-CG1 3.89Å; V224-I241 PolarHBondContact N-O 2.82Å; V224-I241 PolarHBondContact O-N 3.08Å; L226-I241 HydrophobicContact CD1-CG2 4.12Å; I241-A243 HydrophobicContact CD1-CB 4.41Å; I241-A243 HydrophobicContact CG1-CB 4.41Å; I241-A243 PolarHBondContact O-N 2.84Å; I241-A243 VanDerWaalsContact O-N 3.15Å; I241-M263 HydrophobicContact CD1-CE 3.47Å; I241-M263 VanDerWaalsContact CD1-CE 3.47Å; I241-M263 HydrophobicContact CG1-CE 4.39Å; I241-W275 HydrophobicContact CD1-CD2 3.69Å; I241-W275 HydrophobicContact CD1-CE3 3.84Å; I241-W275 HydrophobicContact CD1-CG 4.07Å; I241-W275 HydrophobicContact CD1-CH2 4.47Å; I241-W275 HydrophobicContact CD1-CZ2 4.37Å; I241-W275 HydrophobicContact CD1-CZ3 4.21Å; I241-L277 HydrophobicContact CD1-CD2 4.27Å; I241-L277 HydrophobicContact CG2-CD2 4.44Å
242K94.4Very high95.3Very high115 Ų11547.2 Ų47.250%0.526%0.264SS..EExtended strand (participates in β ladder)trans-80.493.2169.1-174.155.7168.4159.80108.5D221 R223 H244D221-K242 PolarHBondContact O-NZ 3.14Å; R223-K242 HydrophobicContact CG-CD 3.9Å; K242-H244 WeakPolarHBondContact CE-O 3.37Å; K242-H244 PolarHBondContact NZ-O 3.28Å
243A94.9Very high95.7Very high14 Ų1445.1 Ų45.112%0.11624%0.237CC..  trans-86.6-37-17300000112.8G222 V224 I241 T265 W275G222-A243 PolarHBondContact O-N 2.91Å; V224-A243 HydrophobicContact CG2-CB 4.02Å; I241-A243 HydrophobicContact CD1-CB 4.41Å; I241-A243 HydrophobicContact CG1-CB 4.41Å; I241-A243 PolarHBondContact O-N 2.84Å; I241-A243 VanDerWaalsContact O-N 3.15Å; A243-T265 HydrophobicContact CB-CG2 4.43Å; A243-W275 HydrophobicContact CB-CH2 4.38Å; A243-W275 HydrophobicContact CB-CZ2 3.69Å
244H96.4Very high95.7Very high4 Ų444.6 Ų44.62%0.01923%0.234CC..  trans-133.6149.9-172.5-66.4-81000111.5G222 K242 Q246 T265 G266 G267 D269 L271G222-H244 PolarHBondContact O-N 2.83Å; K242-H244 WeakPolarHBondContact CE-O 3.37Å; K242-H244 PolarHBondContact NZ-O 3.28Å; H244-Q246 CarbonylContact C-O 3.5Å; H244-Q246 WeakPolarHBondContact CB-O 3.48Å; H244-T265 WeakPolarHBondContact NE2-CB 3.46Å; H244-T265 PolarHBondContact NE2-OG1 3.36Å; H244-G266 PolarHBondContact NE2-N 2.89Å; H244-G267 PolarHBondContact CE1-N 2.85Å; H244-D269 WeakPolarHBondContact CA-OD2 3.21Å; H244-D269 WeakPolarHBondContact CB-OD2 3.33Å; H244-D269 IonicContact CE1-OD1 3.56Å; H244-D269 IonicContact CG-OD1 3.41Å; H244-D269 IonicContact CG-OD2 2.74Å; H244-D269 IonicContact ND1-OD1 3.98Å; H244-D269 PolarHBondContact ND1-OD1 3.03Å; H244-D269 IonicContact ND1-OD2 3.71Å; H244-L271 PolarHBondContact CE1-O 2.93Å; H244-L271 VanDerWaalsContact CE1-O 3.25Å
245S94.3Very high95.4Very high94 Ų9441.4 Ų41.466%0.65723%0.23SC*.SBendtrans-75.5-27.4176.160.90000112.6D269S245-D269 PolarHBondContact N-OD2 2.85Å; S245-D269 WeakPolarHBondContact OG-CB 3.35Å; S245-D269 PolarHBondContact OG-OD2 2.62Å
246Q95.1Very high95Very high102 Ų10242.2 Ų42.248%0.47723%0.231SC..SBendtrans-113.4-173.8168.9-61.1-177.343.600109.9G222 H244 A248 N268 D269G222-Q246 WeakPolarHBondContact CA-O 3.34Å; H244-Q246 CarbonylContact C-O 3.5Å; H244-Q246 WeakPolarHBondContact CB-O 3.48Å; Q246-A248 PolarHBondContact O-N 2.84Å; Q246-N268 HydrophobicContact CB-CB 3.87Å; Q246-N268 PolarHBondContact OE1-O 2.57Å; Q246-D269 HydrophobicContact CB-CB 4.19Å; Q246-D269 HydrophobicContact CG-CB 4.2Å
247G95.5Very high94.8Very high1 Ų139.1 Ų39.11%0.0122%0.218CC..  trans-51.9135.3-179.900000114E220 G267 N268E220-G247 WeakPolarHBondContact O-CA 3.31Å; G247-G267 CarbonylContact O-C 3.58Å; G247-G267 VanDerWaalsContact O-CA 3.29Å; G247-G267 WeakPolarHBondContact O-CA 3.34Å; G247-N268 PolarHBondContact O-N 3.39Å
248A97.6Very high94.4Very high0 Ų039.7 Ų39.70%023%0.232CC..EExtended strand (participates in β ladder)trans-86.7113.517400000107.6A218 A219 V224 Q246A218-A248 CarbonylContact C-O 3.53Å; A218-A248 HydrophobicContact CB-CB 4.05Å; A218-A248 WeakPolarHBondContact CB-O 3.32Å; A219-A248 PolarHBondContact N-O 2.91Å; A219-A248 PolarHBondContact O-N 2.91Å; V224-A248 HydrophobicContact CG2-CB 4.5Å; Q246-A248 PolarHBondContact O-N 2.84Å
249S97.3Very high94.1Very high15 Ų1538.8 Ų38.811%0.10523%0.228CC..EExtended strand (participates in β ladder)trans-85.6-37.7-175.551.90000111.8C205 G266 V348C205-S249 WeakPolarHBondContact CB-O 3.15Å; S249-G266 PolarHBondContact N-O 2.98Å; S249-G266 PolarHBondContact OG-O 3.48Å; S249-G266 VanDerWaalsContact OG-O 3.07Å; S249-V348 VanDerWaalsContact CB-O 3.3Å; S249-V348 WeakPolarHBondContact CB-O 3.44Å; S249-V348 PolarHBondContact OG-O 3.18Å
250Q98.1Very high93.9Very high12 Ų1239.5 Ų39.56%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-138.2142.1-172.5-65.7-70.64.400112C205 H252 T265 G266 N349 W350 L351C205-Q250 PolarHBondContact SG-OE1 3.15Å; Q250-H252 PolarHBondContact OE1-NE2 2.61Å; Q250-H252 VanDerWaalsContact OE1-NE2 3.13Å; Q250-T265 CarbonylContact O-C 3.6Å; Q250-T265 VanDerWaalsContact O-CA 3.26Å; Q250-T265 WeakPolarHBondContact O-CA 3.37Å; Q250-G266 PolarHBondContact N-O 2.77Å; Q250-G266 PolarHBondContact O-N 2.81Å; Q250-N349 WeakPolarHBondContact CG-O 3.24Å; Q250-N349 PolarHBondContact NE2-O 3.01Å; Q250-W350 VanDerWaalsContact NE2-CD2 3.35Å; Q250-L351 HydrophobicContact CB-CB 3.98Å; Q250-L351 HydrophobicContact CB-CD1 3.97Å; Q250-L351 HydrophobicContact CB-CG 3.94Å; Q250-L351 HydrophobicContact CG-CB 4.38Å; Q250-L351 HydrophobicContact CG-CG 4.44Å
251A98.3Very high93.8Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-147.6120.3170.100000110.4S207 A218 V224 M263 V264 T265S207-A251 WeakPolarHBondContact CB-O 3.38Å; A218-A251 HydrophobicContact CB-CB 3.87Å; V224-A251 HydrophobicContact CG1-CB 3.94Å; V224-A251 HydrophobicContact CG2-CB 3.91Å; A251-M263 HydrophobicContact CB-SD 4.25Å; A251-V264 WeakPolarHBondContact CA-O 3.16Å; A251-T265 HydrophobicContact CB-CG2 4.11Å
252H98.2Very high93.9Very high34 Ų3440 Ų4016%0.15722%0.223CC..EExtended strand (participates in β ladder)trans-129.2130.1-179.2-60.7-74.2000111.9C205 Q250 M263 V264 L351 P353C205-H252 VanDerWaalsContact SG-CE1 3.58Å; Q250-H252 PolarHBondContact OE1-NE2 2.61Å; Q250-H252 VanDerWaalsContact OE1-NE2 3.13Å; H252-M263 WeakPolarHBondContact O-CA 3.44Å; H252-V264 HydrophobicContact CB-CG1 4.26Å; H252-V264 PolarHBondContact N-O 3.49Å; H252-V264 PolarHBondContact O-N 2.69Å; H252-L351 PolarHBondContact CD2-O 2.78Å; H252-L351 VanDerWaalsContact CD2-O 3.29Å; H252-L351 PolarHBondContact NE2-O 3.37Å; H252-P353 HydrophobicContact CB-CG 3.86Å
253F97.3Very high94Very high18 Ų1834.5 Ų34.58%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-69.7141.5167.6-74.7-79.9000110.9S207 S209 V214 L226 W262 M263 L277S207-F253 WeakPolarHBondContact O-CE2 3.26Å; S207-F253 PolarHBondContact OG-N 3.02Å; S207-F253 VanDerWaalsContact OG-N 3.09Å; S209-F253 VanDerWaalsContact N-CD2 3.27Å; V214-F253 HydrophobicContact CG1-CE1 4.24Å; V214-F253 HydrophobicContact CG1-CZ 3.72Å; L226-F253 HydrophobicContact CD2-CZ 4.48Å; F253-W262 CarbonylContact C-O 3.57Å; F253-W262 VanDerWaalsContact CA-O 3.32Å; F253-W262 WeakPolarHBondContact CA-O 3.2Å; F253-W262 WeakPolarHBondContact CD1-O 3.46Å; F253-M263 HydrophobicContact CD1-CB 4.27Å; F253-M263 HydrophobicContact CE1-CB 4.35Å; F253-M263 HydrophobicContact CE1-SD 4.43Å; F253-M263 HydrophobicContact CZ-SD 4.23Å; F253-L277 HydrophobicContact CE1-CD1 4.09Å; F253-L277 HydrophobicContact CZ-CD1 4.49Å
254I94.8Very high94.2Very high1 Ų133.9 Ų33.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-108106.1178.3-52.6178.7000108.6F256 L257 W262 V264 L274 P353 L376I254-F256 HydrophobicContact CG2-CD1 4.06Å; I254-F256 HydrophobicContact CG2-CD2 3.58Å; I254-F256 HydrophobicContact CG2-CE1 3.82Å; I254-F256 HydrophobicContact CG2-CE2 3.3Å; I254-F256 HydrophobicContact CG2-CG 3.97Å; I254-F256 HydrophobicContact CG2-CZ 3.43Å; I254-F256 VanDerWaalsContact CG2-CZ 3.43Å; I254-L257 HydrophobicContact CB-CD1 3.96Å; I254-L257 HydrophobicContact CB-CG 4.29Å; I254-L257 HydrophobicContact CD1-CD1 3.92Å; I254-L257 HydrophobicContact CG2-CB 4.32Å; I254-L257 HydrophobicContact CG2-CD1 3.72Å; I254-L257 HydrophobicContact CG2-CG 3.6Å; I254-W262 HydrophobicContact CB-CB 4.13Å; I254-W262 PolarHBondContact N-O 3.06Å; I254-V264 HydrophobicContact CD1-CB 4.05Å; I254-V264 HydrophobicContact CD1-CG1 4.11Å; I254-V264 HydrophobicContact CG1-CG1 4.28Å; I254-L274 HydrophobicContact CD1-CD1 3.64Å; I254-P353 HydrophobicContact CD1-CB 4.22Å; I254-P353 HydrophobicContact CG1-CB 3.9Å; I254-P353 HydrophobicContact CG1-CG 4.33Å; I254-L376 HydrophobicContact CD1-CD1 3.97Å
255S89.1Confident94.3Very high83 Ų8333.7 Ų33.758%0.5819%0.193SC*.THydrogen-bonded Turntrans-81.6-19.1-176.355.90000114.2
256F88.8Confident94.5Very high73 Ų7329.2 Ų29.232%0.3216%0.162SC..THydrogen-bonded Turntrans-93.58.3-176.752.4-104.6000114.1I254 P353 V355 P360I254-F256 HydrophobicContact CG2-CD1 4.06Å; I254-F256 HydrophobicContact CG2-CD2 3.58Å; I254-F256 HydrophobicContact CG2-CE1 3.82Å; I254-F256 HydrophobicContact CG2-CE2 3.3Å; I254-F256 HydrophobicContact CG2-CG 3.97Å; I254-F256 HydrophobicContact CG2-CZ 3.43Å; I254-F256 VanDerWaalsContact CG2-CZ 3.43Å; F256-P353 HydrophobicContact CE1-CB 4.43Å; F256-P353 HydrophobicContact CZ-CB 4.03Å; F256-V355 HydrophobicContact CB-CG2 4.05Å; F256-V355 HydrophobicContact CD1-CG2 3.93Å; F256-V355 HydrophobicContact CD2-CG2 3.49Å; F256-V355 VanDerWaalsContact CD2-CG2 3.49Å; F256-V355 HydrophobicContact CE1-CG2 4.21Å; F256-V355 HydrophobicContact CE2-CG2 3.8Å; F256-V355 HydrophobicContact CG-CG2 3.55Å; F256-V355 HydrophobicContact CZ-CG2 4.15Å; F256-P360 HydrophobicContact CD2-CB 4.26Å; F256-P360 HydrophobicContact CD2-CG 4.38Å; F256-P360 HydrophobicContact CE2-CB 3.89Å; F256-P360 HydrophobicContact CE2-CG 4.48Å
257L89.4Confident94.6Very high29 Ų2924.4 Ų24.415%0.15214%0.139CC..SBendtrans-93.1-178.9169.3-68.7177.1000110.9I254 H259 W262 P360 L379I254-L257 HydrophobicContact CB-CD1 3.96Å; I254-L257 HydrophobicContact CB-CG 4.29Å; I254-L257 HydrophobicContact CD1-CD1 3.92Å; I254-L257 HydrophobicContact CG2-CB 4.32Å; I254-L257 HydrophobicContact CG2-CD1 3.72Å; I254-L257 HydrophobicContact CG2-CG 3.6Å; L257-H259 PolarHBondContact O-N 2.85Å; L257-W262 HydrophobicContact CB-CB 4.17Å; L257-W262 VanDerWaalsContact CB-CD1 3.47Å; L257-W262 HydrophobicContact CB-CG 3.84Å; L257-W262 HydrophobicContact CD1-CB 3.67Å; L257-W262 HydrophobicContact CD1-CD2 3.93Å; L257-W262 HydrophobicContact CD1-CE3 4.39Å; L257-W262 HydrophobicContact CD1-CG 3.59Å; L257-W262 HydrophobicContact CG-CG 4.38Å; L257-P360 HydrophobicContact CD2-CB 3.87Å; L257-P360 HydrophobicContact CD2-CG 3.84Å; L257-L379 HydrophobicContact CD1-CD1 3.85Å; L257-L379 HydrophobicContact CD2-CD1 4.13Å
258S86.2Confident94.7Very high109 Ų10925.9 Ų25.976%0.76215%0.147SC*.SBendtrans-56.4-24-169.156.60000115.6W262S258-W262 PolarHBondContact OG-NE1 2.94Å; S258-W262 VanDerWaalsContact OG-NE1 3.16Å
259H88.4Confident94.6Very high42 Ų4227.4 Ų27.419%0.19416%0.155CC..SBendtrans-152.6162.6174.665.679.8000110.1L257 H261 W262 D276L257-H259 PolarHBondContact O-N 2.85Å; H259-H261 WeakPolarHBondContact ND1-CB 3.48Å; H259-H261 PolarHBondContact ND1-N 2.91Å; H259-H261 VanDerWaalsContact ND1-N 3.18Å; H259-H261 PolarHBondContact O-N 3.29Å; H259-W262 AromaticContact CD2-CD1 3.8Å; H259-W262 AromaticContact CD2-NE1 3.5Å; H259-W262 PolarHBondContact CD2-NE1 3.04Å; H259-W262 AromaticContact CE1-CD1 3.59Å; H259-W262 AromaticContact CE1-NE1 3.74Å; H259-W262 AromaticContact NE2-CD1 3.47Å; H259-W262 AromaticContact NE2-CE2 3.81Å; H259-W262 AromaticContact NE2-NE1 3.13Å; H259-W262 PolarHBondContact NE2-NE1 2.83Å; H259-W262 VanDerWaalsContact NE2-NE1 3.13Å; H259-D276 IonicContact CE1-OD1 2.89Å; H259-D276 PolarHBondContact CE1-OD1 3.21Å; H259-D276 IonicContact NE2-OD1 3.26Å; H259-D276 PolarHBondContact NE2-OD1 2.86Å; H259-D276 VanDerWaalsContact NE2-OD1 3.09Å; H259-D276 IonicContact NE2-OD2 2.85Å
260P88.8Confident94.6Very high43 Ų4326.8 Ų26.828%0.27915%0.151SC..THydrogen-bonded Turntrans-78.38-168.933.2-37.8000114.5S209 C211S209-P260 PolarHBondContact OG-O 3.07Å; C211-P260 HydrophobicContact CB-CG 4.31Å
261H93.2Very high94.6Very high33 Ų3328.7 Ų28.715%0.15316%0.161CC..THydrogen-bonded Turntrans-114.217.8-172.8-50.9-52.6000112.6H259 L277 V283H259-H261 WeakPolarHBondContact ND1-CB 3.48Å; H259-H261 PolarHBondContact ND1-N 2.91Å; H259-H261 VanDerWaalsContact ND1-N 3.18Å; H259-H261 PolarHBondContact O-N 3.29Å; H261-L277 HydrophobicContact CB-CB 4.32Å; H261-L277 WeakPolarHBondContact O-CB 3.32Å; H261-L277 PolarHBondContact O-N 2.8Å; H261-V283 HydrophobicContact CB-CG1 3.97Å; H261-V283 WeakPolarHBondContact CD2-CG1 3.39Å
262W95.9Very high94.6Very high18 Ų1828.8 Ų28.87%0.06816%0.162CC..EExtended strand (participates in β ladder)trans-74.3138161.2-78.598.1000109.7F253 I254 L257 S258 H259 L274 W275 D276 K339 L379F253-W262 CarbonylContact C-O 3.57Å; F253-W262 VanDerWaalsContact CA-O 3.32Å; F253-W262 WeakPolarHBondContact CA-O 3.2Å; F253-W262 WeakPolarHBondContact CD1-O 3.46Å; I254-W262 HydrophobicContact CB-CB 4.13Å; I254-W262 PolarHBondContact N-O 3.06Å; L257-W262 HydrophobicContact CB-CB 4.17Å; L257-W262 VanDerWaalsContact CB-CD1 3.47Å; L257-W262 HydrophobicContact CB-CG 3.84Å; L257-W262 HydrophobicContact CD1-CB 3.67Å; L257-W262 HydrophobicContact CD1-CD2 3.93Å; L257-W262 HydrophobicContact CD1-CE3 4.39Å; L257-W262 HydrophobicContact CD1-CG 3.59Å; L257-W262 HydrophobicContact CG-CG 4.38Å; S258-W262 PolarHBondContact OG-NE1 2.94Å; S258-W262 VanDerWaalsContact OG-NE1 3.16Å; H259-W262 AromaticContact CD2-CD1 3.8Å; H259-W262 AromaticContact CD2-NE1 3.5Å; H259-W262 PolarHBondContact CD2-NE1 3.04Å; H259-W262 AromaticContact CE1-CD1 3.59Å; H259-W262 AromaticContact CE1-NE1 3.74Å; H259-W262 AromaticContact NE2-CD1 3.47Å; H259-W262 AromaticContact NE2-CE2 3.81Å; H259-W262 AromaticContact NE2-NE1 3.13Å; H259-W262 PolarHBondContact NE2-NE1 2.83Å; H259-W262 VanDerWaalsContact NE2-NE1 3.13Å; W262-L274 HydrophobicContact CE3-CD1 3.96Å; W262-L274 HydrophobicContact CE3-CD2 3.98Å; W262-L274 HydrophobicContact CE3-CG 3.74Å; W262-L274 HydrophobicContact CZ3-CD1 4.47Å; W262-L274 HydrophobicContact CZ3-CD2 3.74Å; W262-L274 HydrophobicContact CZ3-CG 3.75Å; W262-W275 WeakPolarHBondContact CA-O 3.43Å; W262-W275 VanDerWaalsContact CE3-O 3.24Å; W262-D276 HydrophobicContact CD2-CB 4.39Å; W262-D276 HydrophobicContact CE3-CB 4.19Å; W262-D276 HydrophobicContact CH2-CB 3.77Å; W262-D276 HydrophobicContact CZ2-CB 3.94Å; W262-D276 HydrophobicContact CZ3-CB 3.88Å; W262-K339 HydrophobicContact CH2-CB 4.04Å; W262-K339 HydrophobicContact CH2-CG 3.74Å; W262-K339 HydrophobicContact CZ3-CB 3.9Å; W262-K339 HydrophobicContact CZ3-CG 3.77Å; W262-L379 HydrophobicContact CH2-CD2 3.43Å; W262-L379 VanDerWaalsContact CH2-CD2 3.43Å; W262-L379 HydrophobicContact CZ2-CD2 4.18Å; W262-L379 HydrophobicContact CZ3-CD2 3.73Å
263M97.1Very high94.5Very high0 Ų027.3 Ų27.30%016%0.156CC..EExtended strand (participates in β ladder)trans-137.8136.5178.5-175.517275.900109.7V224 L226 I241 A251 H252 F253 T265 L274 W275 L277V224-M263 HydrophobicContact CB-CE 3.99Å; V224-M263 HydrophobicContact CG1-CE 3.65Å; V224-M263 HydrophobicContact CG1-SD 3.87Å; V224-M263 HydrophobicContact CG2-CE 4.27Å; L226-M263 HydrophobicContact CD2-CE 4.38Å; L226-M263 HydrophobicContact CD2-SD 4.35Å; I241-M263 HydrophobicContact CD1-CE 3.47Å; I241-M263 VanDerWaalsContact CD1-CE 3.47Å; I241-M263 HydrophobicContact CG1-CE 4.39Å; A251-M263 HydrophobicContact CB-SD 4.25Å; H252-M263 WeakPolarHBondContact O-CA 3.44Å; F253-M263 HydrophobicContact CD1-CB 4.27Å; F253-M263 HydrophobicContact CE1-CB 4.35Å; F253-M263 HydrophobicContact CE1-SD 4.43Å; F253-M263 HydrophobicContact CZ-SD 4.23Å; M263-T265 HydrophobicContact CE-CG2 3.69Å; M263-T265 HydrophobicContact CG-CG2 4.18Å; M263-T265 HydrophobicContact SD-CG2 4.43Å; M263-L274 WeakPolarHBondContact O-CA 3.05Å; M263-W275 HydrophobicContact CB-CB 4.48Å; M263-W275 PolarHBondContact N-O 2.95Å; M263-W275 PolarHBondContact O-N 3.45Å; M263-L277 HydrophobicContact CB-CD1 3.98Å; M263-L277 HydrophobicContact CE-CD1 3.75Å; M263-L277 HydrophobicContact SD-CD1 3.98Å
264V98.1Very high94.5Very high1 Ų126.6 Ų26.61%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-106.5139.3168.264.90000109.4A251 H252 I254 V272 A273 L274 L351 P353 V362A251-V264 WeakPolarHBondContact CA-O 3.16Å; H252-V264 HydrophobicContact CB-CG1 4.26Å; H252-V264 PolarHBondContact N-O 3.49Å; H252-V264 PolarHBondContact O-N 2.69Å; I254-V264 HydrophobicContact CD1-CB 4.05Å; I254-V264 HydrophobicContact CD1-CG1 4.11Å; I254-V264 HydrophobicContact CG1-CG1 4.28Å; V264-V272 HydrophobicContact CG2-CG1 3.65Å; V264-A273 CarbonylContact C-O 3.17Å; V264-A273 WeakPolarHBondContact CA-O 3.36Å; V264-L274 HydrophobicContact CB-CD1 4.19Å; V264-L351 HydrophobicContact CG1-CD1 4.49Å; V264-L351 HydrophobicContact CG2-CD1 4.17Å; V264-P353 HydrophobicContact CG1-CB 4.3Å; V264-P353 HydrophobicContact CG1-CG 4.27Å; V264-V362 HydrophobicContact CG1-CG2 4.4Å; V264-V362 HydrophobicContact CG2-CG2 4.12Å
265T98.6Very high94.6Very high0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-128.3148.9179.867.80000110.6V224 A243 H244 Q250 A251 M263 V272 A273 W275V224-T265 HydrophobicContact CG2-CG2 3.7Å; A243-T265 HydrophobicContact CB-CG2 4.43Å; H244-T265 WeakPolarHBondContact NE2-CB 3.46Å; H244-T265 PolarHBondContact NE2-OG1 3.36Å; Q250-T265 CarbonylContact O-C 3.6Å; Q250-T265 VanDerWaalsContact O-CA 3.26Å; Q250-T265 WeakPolarHBondContact O-CA 3.37Å; A251-T265 HydrophobicContact CB-CG2 4.11Å; M263-T265 HydrophobicContact CE-CG2 3.69Å; M263-T265 HydrophobicContact CG-CG2 4.18Å; M263-T265 HydrophobicContact SD-CG2 4.43Å; T265-V272 CarbonylContact O-C 3.59Å; T265-V272 VanDerWaalsContact O-CA 3.32Å; T265-V272 WeakPolarHBondContact O-CA 3.46Å; T265-A273 PolarHBondContact N-O 2.85Å; T265-A273 PolarHBondContact O-N 3.46Å; T265-W275 PolarHBondContact OG1-NE1 3.02Å
266G98.3Very high94.9Very high0 Ų025.2 Ų25.20%014%0.137CC..EExtended strand (participates in β ladder)trans-133.5148.3176.600000109.5H244 S249 Q250 L271H244-G266 PolarHBondContact NE2-N 2.89Å; S249-G266 PolarHBondContact N-O 2.98Å; S249-G266 PolarHBondContact OG-O 3.48Å; S249-G266 VanDerWaalsContact OG-O 3.07Å; Q250-G266 PolarHBondContact N-O 2.77Å; Q250-G266 PolarHBondContact O-N 2.81Å; G266-L271 WeakPolarHBondContact CA-O 3.31Å
267G97.4Very high95.2Very high0 Ų022 Ų220%012%0.124CC..EExtended strand (participates in β ladder)trans-146.4171.1-177.400000114.7H244 G247 D269 G270 L271 V348H244-G267 PolarHBondContact CE1-N 2.85Å; G247-G267 CarbonylContact O-C 3.58Å; G247-G267 VanDerWaalsContact O-CA 3.29Å; G247-G267 WeakPolarHBondContact O-CA 3.34Å; G267-D269 PolarHBondContact O-N 3.49Å; G267-G270 PolarHBondContact O-N 2.77Å; G267-G270 VanDerWaalsContact O-N 3.08Å; G267-L271 PolarHBondContact N-O 3.47Å; G267-V348 PolarHBondContact O-N 3.01Å
268N97.1Very high95.3Very high33 Ų3322.2 Ų22.218%0.17613%0.127CC..THydrogen-bonded Turntrans-69.2-8.8177.4-69.6-16.8000113Q246 G247 K347Q246-N268 HydrophobicContact CB-CB 3.87Å; Q246-N268 PolarHBondContact OE1-O 2.57Å; G247-N268 PolarHBondContact O-N 3.39Å; N268-K347 HydrophobicContact CB-CD 4.28Å
269D96.9Very high95.6Very high32 Ų3225.1 Ų25.117%0.17113%0.126CC..THydrogen-bonded Turntrans-84.53.1170.961.61.4000113.6H244 S245 Q246 G267 L271H244-D269 WeakPolarHBondContact CA-OD2 3.21Å; H244-D269 WeakPolarHBondContact CB-OD2 3.33Å; H244-D269 IonicContact CE1-OD1 3.56Å; H244-D269 IonicContact CG-OD1 3.41Å; H244-D269 IonicContact CG-OD2 2.74Å; H244-D269 IonicContact ND1-OD1 3.98Å; H244-D269 PolarHBondContact ND1-OD1 3.03Å; H244-D269 IonicContact ND1-OD2 3.71Å; S245-D269 PolarHBondContact N-OD2 2.85Å; S245-D269 WeakPolarHBondContact OG-CB 3.35Å; S245-D269 PolarHBondContact OG-OD2 2.62Å; Q246-D269 HydrophobicContact CB-CB 4.19Å; Q246-D269 HydrophobicContact CG-CB 4.2Å; G267-D269 PolarHBondContact O-N 3.49Å; D269-L271 VanDerWaalsContact C-N 3.27Å; D269-L271 PolarHBondContact O-N 2.8Å; D269-L271 PolarHBondContact OD1-N 3.41Å
270G97.1Very high95.9Very high1 Ų124 Ų241%0.0112%0.121CC..SBendtrans69.924177.500000114.1G267 H344 G345 D346G267-G270 PolarHBondContact O-N 2.77Å; G267-G270 VanDerWaalsContact O-N 3.08Å; G270-H344 WeakPolarHBondContact O-CA 3.49Å; G270-H344 VanDerWaalsContact O-CB 3.31Å; G270-H344 WeakPolarHBondContact O-CB 3.37Å; G270-H344 PolarHBondContact O-N 2.83Å; G270-G345 PolarHBondContact O-N 3.35Å; G270-D346 WeakPolarHBondContact CA-O 3.46Å
271L97.6Very high96Very high52 Ų5224.1 Ų24.127%0.27212%0.122SC..EExtended strand (participates in β ladder)trans-101143.5173.1-63.1179000111H244 G266 G267 D269H244-L271 PolarHBondContact CE1-O 2.93Å; H244-L271 VanDerWaalsContact CE1-O 3.25Å; G266-L271 WeakPolarHBondContact CA-O 3.31Å; G267-L271 PolarHBondContact N-O 3.47Å; D269-L271 VanDerWaalsContact C-N 3.27Å; D269-L271 PolarHBondContact O-N 2.8Å; D269-L271 PolarHBondContact OD1-N 3.41Å
272V97.8Very high96Very high2 Ų222.8 Ų22.81%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-113.8120.8161.6179.40000107.7V264 T265 I342 H344 V348 L351 V362 V364V264-V272 HydrophobicContact CG2-CG1 3.65Å; T265-V272 CarbonylContact O-C 3.59Å; T265-V272 VanDerWaalsContact O-CA 3.32Å; T265-V272 WeakPolarHBondContact O-CA 3.46Å; V272-I342 HydrophobicContact CB-CB 4.28Å; V272-I342 PolarHBondContact N-O 3.22Å; V272-I342 PolarHBondContact O-N 2.9Å; V272-H344 HydrophobicContact CG2-CB 4.47Å; V272-V348 HydrophobicContact CG2-CG2 3.73Å; V272-L351 HydrophobicContact CG1-CD2 4.32Å; V272-L351 HydrophobicContact CG2-CD2 4.07Å; V272-V362 HydrophobicContact CG1-CG1 4.27Å; V272-V364 HydrophobicContact CG2-CG1 4.42Å; V272-V364 HydrophobicContact CG2-CG2 4.01Å
273A96.9Very high95.7Very high4 Ų422 Ų223%0.03311%0.114CC..EExtended strand (participates in β ladder)trans-121.9142.9-175.400000111.2V264 T265 W275 P338 L340V264-A273 CarbonylContact C-O 3.17Å; V264-A273 WeakPolarHBondContact CA-O 3.36Å; T265-A273 PolarHBondContact N-O 2.85Å; T265-A273 PolarHBondContact O-N 3.46Å; A273-W275 HydrophobicContact CB-CZ2 3.93Å; A273-P338 HydrophobicContact CB-CB 4.03Å; A273-L340 WeakPolarHBondContact CA-O 3.24Å
274L96.9Very high95.3Very high3 Ų325.2 Ų25.22%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-118.3132.4-179.7-177.475.1000110.5I254 W262 M263 V264 P338 K339 L340 L379I254-L274 HydrophobicContact CD1-CD1 3.64Å; W262-L274 HydrophobicContact CE3-CD1 3.96Å; W262-L274 HydrophobicContact CE3-CD2 3.98Å; W262-L274 HydrophobicContact CE3-CG 3.74Å; W262-L274 HydrophobicContact CZ3-CD1 4.47Å; W262-L274 HydrophobicContact CZ3-CD2 3.74Å; W262-L274 HydrophobicContact CZ3-CG 3.75Å; M263-L274 WeakPolarHBondContact O-CA 3.05Å; V264-L274 HydrophobicContact CB-CD1 4.19Å; L274-P338 CarbonylContact O-C 3.53Å; L274-P338 WeakPolarHBondContact O-CA 3.31Å; L274-K339 PolarHBondContact O-N 3.32Å; L274-L340 HydrophobicContact CB-CB 4.11Å; L274-L340 HydrophobicContact CD2-CB 4.41Å; L274-L340 PolarHBondContact N-O 2.86Å; L274-L340 PolarHBondContact O-N 2.74Å; L274-L379 HydrophobicContact CD2-CD1 3.29Å; L274-L379 HydrophobicContact CD2-CD2 3.53Å; L274-L379 HydrophobicContact CD2-CG 3.73Å
275W96.6Very high94.3Very high18 Ų1827.5 Ų27.57%0.06815%0.146CC..EExtended strand (participates in β ladder)trans-126.4130.9-168.2-51.983.4000110.9I241 A243 W262 M263 T265 A273 L277 P338I241-W275 HydrophobicContact CD1-CD2 3.69Å; I241-W275 HydrophobicContact CD1-CE3 3.84Å; I241-W275 HydrophobicContact CD1-CG 4.07Å; I241-W275 HydrophobicContact CD1-CH2 4.47Å; I241-W275 HydrophobicContact CD1-CZ2 4.37Å; I241-W275 HydrophobicContact CD1-CZ3 4.21Å; A243-W275 HydrophobicContact CB-CH2 4.38Å; A243-W275 HydrophobicContact CB-CZ2 3.69Å; W262-W275 WeakPolarHBondContact CA-O 3.43Å; W262-W275 VanDerWaalsContact CE3-O 3.24Å; M263-W275 HydrophobicContact CB-CB 4.48Å; M263-W275 PolarHBondContact N-O 2.95Å; M263-W275 PolarHBondContact O-N 3.45Å; T265-W275 PolarHBondContact OG1-NE1 3.02Å; A273-W275 HydrophobicContact CB-CZ2 3.93Å; W275-L277 HydrophobicContact CB-CD2 3.96Å; W275-L277 HydrophobicContact CB-CG 4.18Å; W275-P338 HydrophobicContact CD2-CB 4.12Å; W275-P338 HydrophobicContact CE3-CB 4.18Å; W275-P338 HydrophobicContact CH2-CB 4.13Å; W275-P338 HydrophobicContact CH2-CG 4.15Å; W275-P338 HydrophobicContact CZ2-CB 4.02Å; W275-P338 HydrophobicContact CZ2-CG 4.32Å; W275-P338 HydrophobicContact CZ3-CB 4.21Å; W275-P338 HydrophobicContact CZ3-CG 4.44Å
276D95Very high93Very high36 Ų3635 Ų3519%0.19318%0.181CC..EExtended strand (participates in β ladder)trans-94.8104.8163.6172.61000108.2H259 W262 S278 K339H259-D276 IonicContact CE1-OD1 2.89Å; H259-D276 PolarHBondContact CE1-OD1 3.21Å; H259-D276 IonicContact NE2-OD1 3.26Å; H259-D276 PolarHBondContact NE2-OD1 2.86Å; H259-D276 VanDerWaalsContact NE2-OD1 3.09Å; H259-D276 IonicContact NE2-OD2 2.85Å; W262-D276 HydrophobicContact CD2-CB 4.39Å; W262-D276 HydrophobicContact CE3-CB 4.19Å; W262-D276 HydrophobicContact CH2-CB 3.77Å; W262-D276 HydrophobicContact CZ2-CB 3.94Å; W262-D276 HydrophobicContact CZ3-CB 3.88Å; D276-S278 WeakPolarHBondContact OD1-CB 3.35Å; D276-S278 PolarHBondContact OD1-N 3.1Å; D276-S278 PolarHBondContact OD1-OG 3.36Å; D276-S278 PolarHBondContact OD2-OG 3.46Å; D276-K339 HydrophobicContact CB-CD 4.44Å; D276-K339 HydrophobicContact CB-CG 3.88Å
277L95.3Very high90.9Very high7 Ų738 Ų384%0.03721%0.211CC..  trans-93.88.6-178.3-55.4176.3000113.2L226 I241 F253 H261 M263 W275 K279 H280 V283L226-L277 HydrophobicContact CD1-CD1 4.04Å; L226-L277 HydrophobicContact CD1-CD2 4.34Å; L226-L277 HydrophobicContact CD2-CD1 3.96Å; I241-L277 HydrophobicContact CD1-CD2 4.27Å; I241-L277 HydrophobicContact CG2-CD2 4.44Å; F253-L277 HydrophobicContact CE1-CD1 4.09Å; F253-L277 HydrophobicContact CZ-CD1 4.49Å; H261-L277 HydrophobicContact CB-CB 4.32Å; H261-L277 WeakPolarHBondContact O-CB 3.32Å; H261-L277 PolarHBondContact O-N 2.8Å; M263-L277 HydrophobicContact CB-CD1 3.98Å; M263-L277 HydrophobicContact CE-CD1 3.75Å; M263-L277 HydrophobicContact SD-CD1 3.98Å; W275-L277 HydrophobicContact CB-CD2 3.96Å; W275-L277 HydrophobicContact CB-CG 4.18Å; L277-K279 PolarHBondContact O-N 3.13Å; L277-H280 HydrophobicContact CB-CB 4.23Å; L277-H280 WeakPolarHBondContact O-CB 3.41Å; L277-H280 PolarHBondContact O-N 2.84Å; L277-V283 HydrophobicContact CB-CG2 3.98Å; L277-V283 VanDerWaalsContact O-CB 3.25Å; L277-V283 WeakPolarHBondContact O-CB 3.37Å; L277-V283 WeakPolarHBondContact O-CG1 3.4Å; L277-V283 WeakPolarHBondContact O-CG2 3.42Å
278S92.6Very high88.6Confident32 Ų3245.5 Ų45.522%0.22424%0.244CC..THydrogen-bonded Turntrans-57.9-25.8-176.161.10000114.1D276 N284D276-S278 WeakPolarHBondContact OD1-CB 3.35Å; D276-S278 PolarHBondContact OD1-N 3.1Å; D276-S278 PolarHBondContact OD1-OG 3.36Å; D276-S278 PolarHBondContact OD2-OG 3.46Å; S278-N284 VanDerWaalsContact O-CB 3.23Å; S278-N284 WeakPolarHBondContact O-CB 3.3Å
279K92.5Very high85.8Confident170 Ų17049.7 Ų49.774%0.73927%0.27SS*.THydrogen-bonded Turntrans-101.2-5.1178.4-61.6-177.6-177.3179.70113.7L277L277-K279 PolarHBondContact O-N 3.13Å
280H94.1Very high82.9Confident20 Ų2057.4 Ų57.49%0.09331%0.305CS..  trans-65.5134.8-177.4-169.7-88.5000110L277 V282 V283 N284L277-H280 HydrophobicContact CB-CB 4.23Å; L277-H280 WeakPolarHBondContact O-CB 3.41Å; L277-H280 PolarHBondContact O-N 2.84Å; H280-V282 VanDerWaalsContact C-N 3.26Å; H280-V282 PolarHBondContact ND1-N 2.82Å; H280-V282 PolarHBondContact O-N 2.92Å; H280-V282 VanDerWaalsContact O-N 3.13Å; H280-V283 HydrophobicContact CB-CB 4.34Å; H280-V283 HydrophobicContact CB-CG2 4.12Å; H280-V283 WeakPolarHBondContact O-CA 3.16Å; H280-V283 WeakPolarHBondContact O-CB 3.43Å; H280-V283 PolarHBondContact O-N 2.86Å; H280-N284 PolarHBondContact O-N 3.13Å
281P92Very high79.9Confident45 Ų4563.5 Ų63.529%0.29234%0.342SS..THydrogen-bonded Turntrans-56.9-34.2-172.9-28.135000115V283 N284 P285P281-V283 VanDerWaalsContact C-N 3.32Å; P281-N284 CarbonylContact O-C 3.51Å; P281-P285 VanDerWaalsContact O-CA 3.27Å; P281-P285 WeakPolarHBondContact O-CA 3.38Å
282V92.4Very high76.9Confident4 Ų467.6 Ų67.62%0.02437%0.37CS..THydrogen-bonded Turntrans-66.7-35.6175.3177.90000111.6L226 R228 Q237 Q238 H280L226-V282 HydrophobicContact CB-CB 4.32Å; L226-V282 HydrophobicContact CB-CG1 4.08Å; R228-V282 HydrophobicContact CB-CG1 4.06Å; R228-V282 WeakPolarHBondContact CD-O 3.47Å; R228-V282 PolarHBondContact NE-O 2.97Å; Q237-V282 HydrophobicContact CB-CG1 4.28Å; Q238-V282 VanDerWaalsContact C-CG2 3.48Å; H280-V282 VanDerWaalsContact C-N 3.26Å; H280-V282 PolarHBondContact ND1-N 2.82Å; H280-V282 PolarHBondContact O-N 2.92Å; H280-V282 VanDerWaalsContact O-N 3.13Å
283V90.6Very high73.6Confident3 Ų371.9 Ų71.92%0.01841%0.405CS..THydrogen-bonded Turntrans-80.9-46.3-178177.40000110.4V214 R228 H261 L277 H280 P281 P285V214-V283 HydrophobicContact CG1-CG2 3.94Å; V214-V283 HydrophobicContact CG2-CG1 4.37Å; V214-V283 HydrophobicContact CG2-CG2 4.36Å; R228-V283 PolarHBondContact NE-O 2.83Å; R228-V283 PolarHBondContact NH2-O 3Å; H261-V283 HydrophobicContact CB-CG1 3.97Å; H261-V283 WeakPolarHBondContact CD2-CG1 3.39Å; L277-V283 HydrophobicContact CB-CG2 3.98Å; L277-V283 VanDerWaalsContact O-CB 3.25Å; L277-V283 WeakPolarHBondContact O-CB 3.37Å; L277-V283 WeakPolarHBondContact O-CG1 3.4Å; L277-V283 WeakPolarHBondContact O-CG2 3.42Å; H280-V283 HydrophobicContact CB-CB 4.34Å; H280-V283 HydrophobicContact CB-CG2 4.12Å; H280-V283 WeakPolarHBondContact O-CA 3.16Å; H280-V283 WeakPolarHBondContact O-CB 3.43Å; H280-V283 PolarHBondContact O-N 2.86Å; P281-V283 VanDerWaalsContact C-N 3.32Å; V283-P285 WeakPolarHBondContact O-CD 3.48Å
284N88.3Confident70.6Confident66 Ų6677.5 Ų77.535%0.35344%0.442SS..  trans-125.580.5-178.4-171.94.9000111.5S278 H280 P281 E286 G287S278-N284 VanDerWaalsContact O-CB 3.23Å; S278-N284 WeakPolarHBondContact O-CB 3.3Å; H280-N284 PolarHBondContact O-N 3.13Å; P281-N284 CarbonylContact O-C 3.51Å; N284-E286 PolarHBondContact O-N 3.5Å; N284-G287 PolarHBondContact O-N 2.92Å
285P76.8Confident67.6Low50 Ų5086.2 Ų86.233%0.32548%0.482SS..G310 helixtrans-67.4-21.6-177.924.6-32.9000113.7P281 V283 G287P281-P285 VanDerWaalsContact O-CA 3.27Å; P281-P285 WeakPolarHBondContact O-CA 3.38Å; V283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-G287 VanDerWaalsContact C-N 3.3Å; P285-G287 PolarHBondContact O-N 3.09Å
286E70.9Confident64.4Low158 Ų15897.1 Ų97.174%0.73852%0.523SS*.G310 helixtrans-78.8-11.2-178.5-63.5-177.7178.100113.3N284 K288 T289N284-E286 PolarHBondContact O-N 3.5Å; E286-K288 PolarHBondContact O-N 3.16Å; E286-K288 VanDerWaalsContact O-N 3.09Å; E286-T289 PolarHBondContact O-N 2.82Å; E286-T289 PolarHBondContact O-OG1 2.88Å; E286-T289 VanDerWaalsContact O-OG1 3.06Å
287G54.5Low61.5Low61 Ų61107 Ų10763%0.62956%0.558SS**G310 helixtrans-66.3-7.7178.600000115.5N284 P285N284-G287 PolarHBondContact O-N 2.92Å; P285-G287 VanDerWaalsContact C-N 3.3Å; P285-G287 PolarHBondContact O-N 3.09Å
288K48.5Very low58.5Low159 Ų159116.4 Ų116.469%0.69160%0.598SS**G310 helixtrans-87.4-3.5178.4-77.4-170.5175.9-176.20114.9E286 Q290E286-K288 PolarHBondContact O-N 3.16Å; E286-K288 VanDerWaalsContact O-N 3.09Å; K288-Q290 PolarHBondContact O-N 2.86Å
289T37.6Very low55.4Low120 Ų120118.6 Ų118.674%0.73663%0.626SS**  trans-94.873.3179.542.90000113.1E286E286-T289 PolarHBondContact O-N 2.82Å; E286-T289 PolarHBondContact O-OG1 2.88Å; E286-T289 VanDerWaalsContact O-OG1 3.06Å
290Q37.9Very low52.5Low195 Ų195120.3 Ų120.391%0.91163%0.634SS**  trans-166.354.1149.9-110.9176.15600112K288K288-Q290 PolarHBondContact O-N 2.86Å
291T33.8Very low49.5Very low128 Ų128125 Ų12579%0.78567%0.668SS**SBendtrans-103.6120.6157.248.90000108.7A293T291-A293 PolarHBondContact O-N 3.31Å
292T34Very low46.5Very low139 Ų139126.7 Ų126.785%0.85369%0.694SS**  trans-36.6123.5179.540.60000113.1
293A28.1Very low43.5Very low91 Ų91138.4 Ų138.475%0.75274%0.738SS**PPolyproline II helixtrans-55.7128.9172.700000110T291 Q295T291-A293 PolarHBondContact O-N 3.31Å; A293-Q295 PolarHBondContact O-N 3.27Å
294P33.7Very low40.6Very low123 Ų123150.1 Ų150.180%0.79978%0.782SS**PPolyproline II helixtrans-63.4123.4172.3-16.828.7000109.1R296P294-R296 PolarHBondContact O-N 2.9Å; P294-R296 VanDerWaalsContact O-N 3.1Å
295Q34.3Very low37.7Very low186 Ų186158.3 Ų158.387%0.86981%0.808SS**PPolyproline II helixtrans-52.4120.2169.6-81.1-174.5-23.600109.3A293 R297A293-Q295 PolarHBondContact O-N 3.27Å; Q295-R297 PolarHBondContact O-N 2.85Å
296R30Very low35.4Very low247 Ų247167.2 Ų167.293%0.93284%0.835SS**  trans-54.197.2168.9-76.2170.189.2-179.67.9109.1P294 K298P294-R296 PolarHBondContact O-N 2.9Å; P294-R296 VanDerWaalsContact O-N 3.1Å; R296-K298 PolarHBondContact O-N 3.49Å
297R33.3Very low33.4Very low243 Ų243168.7 Ų168.792%0.91784%0.842SS**  trans-69.1111.2162.7-87.9-176.6163.9-179-3.3107.8Q295 G299Q295-R297 PolarHBondContact O-N 2.85Å; R297-G299 PolarHBondContact O-N 2.93Å
298K32Very low32.1Very low204 Ų204174.2 Ų174.289%0.88785%0.851SS**  trans-52.2123.8170.6-75.5179.8175.1177.20109.3R296R296-K298 PolarHBondContact O-N 3.49Å
299G28.5Very low31.1Very low78 Ų78173 Ų17380%0.80485%0.848SS**  trans-59.6133.5173.200000111.4R297R297-G299 PolarHBondContact O-N 2.93Å
300K32.1Very low30.6Very low207 Ų207175.2 Ų175.290%0.985%0.847SS**  trans-108.9127.5157.2-90.5-175.6175.6178.40108.4
301S30.9Very low30Very low117 Ų117170.5 Ų170.582%0.81884%0.836SS**  trans-45.7136.4179.452.60000114.4
302G28.1Very low29.8Very low81 Ų81173.8 Ų173.884%0.83584%0.839SS**  trans-66.2147.717000000113.2
303R29.4Very low29.5Very low250 Ų250176 Ų17694%0.94384%0.84SS**  trans-133.4112.9163.5-153174.5-175.7178.10.9107.8
304R28.9Very low29.5Very low249 Ų249181.3 Ų181.394%0.9485%0.846SS**  trans-60.4141.5172.5-79.5174.8164.8174.4-5110.4
305R28.8Very low29.3Very low239 Ų239180.1 Ų180.190%0.90285%0.847SS**  trans-145.3129147.3-137.4175.5-178.3170.4-1.2110.2
306R28.7Very low28.9Very low237 Ų237178.7 Ų178.789%0.89485%0.845SS**  trans-80.6145.4172.5-115.1175.8172.1176.4-3.6108.2
307E29.2Very low28.9Very low188 Ų188176.4 Ų176.488%0.87985%0.845SS**  trans-161.2136.9141.2-112.2158.7-154.900111.6
308Q26Very low28.8Very low177 Ų177174.1 Ų174.183%0.82785%0.845SS**  trans-74.3170167.6-74.3164.4-45.800108.8
309E26.9Very low28.6Very low135 Ų135172.2 Ų172.263%0.63184%0.844SS**  cis178.8154.939.6-140.9-177.6-169.500109.1
310K27.1Very low28.8Very low165 Ų165177.8 Ų177.872%0.71785%0.849SS**  trans57.7154149.9-75.5162-169.2156.50120.1
311S26.1Very low28.6Very low96 Ų96172.4 Ų172.467%0.67184%0.844SS**  cis178.6145.2-8.950.60000108.9
312K28.8Very low28.6Very low197 Ų197171.9 Ų171.986%0.85785%0.846SS**  trans55.4142.4158.4-71.8176.4175.8177.90117.2
313Q28.8Very low28.6Very low185 Ų185172.8 Ų172.886%0.86485%0.846SS**  cis-172158.345.3-139.8164.3-4.300109.3
314K28.2Very low28.4Very low204 Ų204170.2 Ų170.289%0.88784%0.842SS**  trans-64.4147.2175.8-77.4178.3165.3-170.40114.1
315A28.4Very low28.4Very low98 Ų98165.7 Ų165.781%0.8184%0.836SS**  -163.1140.5129.600000109.7
316D27.5Very low28.2Very low156 Ų156162.8 Ų162.883%0.83483%0.833SS**  trans-67144.8-179.4-57.7-60.9000112.1
317E29.2Very low28.1Very low198 Ų198154.3 Ų154.393%0.92582%0.82SS**  trans-162.4129.7144.7-110.9165.9-163.400109.3
318E30.2Very low27.8Very low195 Ų195151.1 Ų151.191%0.91181%0.813SS**  trans-68.6135.4176.1-65.4171145.300109.7
319D28.4Very low27.9Very low164 Ų164148.5 Ų148.588%0.87781%0.811SS**  trans-155.7129.4153.2-122.3-20.1000111.7
320E32.6Very low28Very low195 Ų195147.9 Ų147.991%0.91182%0.817SS**  trans-64128.2176.7-71.5179.1127.700111.1
321A28.1Very low28.1Very low95 Ų95148.9 Ų148.979%0.78582%0.824SS**  trans-152.2120159.300000112A323A321-A323 PolarHBondContact O-N 2.78Å
322A31.8Very low28.3Very low105 Ų105152.7 Ų152.787%0.86883%0.831SS**  trans-52.8114.5174.600000112.5K324A322-K324 PolarHBondContact O-N 2.6Å
323A27.1Very low28.7Very low101 Ų101151.6 Ų151.684%0.83583%0.829SS**  trans-82105.1169.300000109.3A321 D325A321-A323 PolarHBondContact O-N 2.78Å; A323-D325 PolarHBondContact O-N 3.46Å
324K26.6Very low29.2Very low195 Ų195148.4 Ų148.485%0.84882%0.823SS**  trans-56.7115.6162.3-74.7175.2175.6176.90108.5A322 Q326A322-K324 PolarHBondContact O-N 2.6Å; K324-Q326 PolarHBondContact O-N 2.96Å
325D27.4Very low30.3Very low155 Ų155142.2 Ų142.283%0.82980%0.802SS**  trans-60.9103.6166.9-163.415.5000107.9A323 G327A323-D325 PolarHBondContact O-N 3.46Å; D325-G327 PolarHBondContact O-N 3.39Å
326Q25.4Very low32.3Very low177 Ų177141 Ų14183%0.82779%0.788SS**  trans-74.785.4168.5-75.6-173.17.600106.4K324 T328K324-Q326 PolarHBondContact O-N 2.96Å; Q326-T328 PolarHBondContact O-N 2.8Å
327G26Very low35.2Very low60 Ų60135.8 Ų135.862%0.61977%0.771SS**  trans-50.6111.4165.900000108.9D325D325-G327 PolarHBondContact O-N 3.39Å
328T24.4Very low38.2Very low120 Ų120129 Ų12974%0.73674%0.744SS**  trans-52.3127.8157.640.30000107.4Q326 T330Q326-T328 PolarHBondContact O-N 2.8Å; T328-T330 PolarHBondContact O-N 2.78Å
329P27.1Very low41.3Very low122 Ų122125.2 Ų125.279%0.79272%0.724SS**  trans-66.1106178.327-30.3000107.2E331P329-E331 PolarHBondContact O-N 2.9Å
330T29.2Very low44.4Very low123 Ų123119.2 Ų119.276%0.75569%0.692SS**  trans-54.6120.7160.341.90000106.3T328 E332T328-T330 PolarHBondContact O-N 2.78Å; T330-E332 PolarHBondContact O-N 2.87Å
331E29.7Very low47.4Very low185 Ų185113.1 Ų113.186%0.86467%0.671SS**  trans-47.7115.7171.9-68-177.8156.700107.8P329 E333P329-E331 PolarHBondContact O-N 2.9Å; E331-E333 PolarHBondContact O-N 2.84Å
332E28.9Very low50.7Low177 Ų177109.9 Ų109.983%0.82764%0.64SS**  trans-54.6110.7176.8-71.9177.2162.200107.8T330 T334T330-E332 PolarHBondContact O-N 2.87Å; E332-T334 VanDerWaalsContact C-N 3.33Å; E332-T334 PolarHBondContact O-N 2.93Å
333E38.3Very low53.7Low173 Ų173109.6 Ų109.681%0.80863%0.632SS**  trans-55.5102.3167.5-78.3-176.2156.900107.4E331 T335E331-E333 PolarHBondContact O-N 2.84Å; E333-T335 PolarHBondContact O-N 3.16Å
334T38.3Very low57Low119 Ų119105.9 Ų105.973%0.7360%0.597SS**  trans-75.447.3177.941.80000111E332E332-T334 VanDerWaalsContact C-N 3.33Å; E332-T334 PolarHBondContact O-N 2.93Å
335T52.5Low60.3Low73 Ų7399.4 Ų99.445%0.44859%0.585SS.*  trans-106100.2165.957.80000107.9E333 G337E333-T335 PolarHBondContact O-N 3.16Å; T335-G337 PolarHBondContact O-N 3.41Å
336S69.6Low63.5Low74 Ų7496.4 Ų96.452%0.51757%0.569SS.*  trans-58.3126168.455.90000108
337G87.5Confident66.9Low46 Ų4692.4 Ų92.447%0.47455%0.549SS..  trans-57.5-178.8175.200000113.4T335 K339T335-G337 PolarHBondContact O-N 3.41Å; G337-K339 PolarHBondContact O-N 2.88Å
338P93.9Very high70.3Confident56 Ų5689.5 Ų89.536%0.36452%0.52SS..  trans-60.1141.7-175.827.1-34.1000110.8A273 L274 W275 L340A273-P338 HydrophobicContact CB-CB 4.03Å; L274-P338 CarbonylContact O-C 3.53Å; L274-P338 WeakPolarHBondContact O-CA 3.31Å; W275-P338 HydrophobicContact CD2-CB 4.12Å; W275-P338 HydrophobicContact CE3-CB 4.18Å; W275-P338 HydrophobicContact CH2-CB 4.13Å; W275-P338 HydrophobicContact CH2-CG 4.15Å; W275-P338 HydrophobicContact CZ2-CB 4.02Å; W275-P338 HydrophobicContact CZ2-CG 4.32Å; W275-P338 HydrophobicContact CZ3-CB 4.21Å; W275-P338 HydrophobicContact CZ3-CG 4.44Å; P338-L340 VanDerWaalsContact C-N 3.29Å
339K94.6Very high73.8Confident115 Ų11586.3 Ų86.350%0.550%0.498SS..SBendtrans-70.1-31.8175.8-65.7-64.2-172.2179.70111.8W262 L274 D276 G337W262-K339 HydrophobicContact CH2-CB 4.04Å; W262-K339 HydrophobicContact CH2-CG 3.74Å; W262-K339 HydrophobicContact CZ3-CB 3.9Å; W262-K339 HydrophobicContact CZ3-CG 3.77Å; L274-K339 PolarHBondContact O-N 3.32Å; D276-K339 HydrophobicContact CB-CD 4.44Å; D276-K339 HydrophobicContact CB-CG 3.88Å; G337-K339 PolarHBondContact O-N 2.88Å
340L94.3Very high77.2Confident37 Ų3782.7 Ų82.719%0.19447%0.469CS..EExtended strand (participates in β ladder)trans-142.3138.9174.6176.666.1000108.5A273 L274 P338 I342 L376A273-L340 WeakPolarHBondContact CA-O 3.24Å; L274-L340 HydrophobicContact CB-CB 4.11Å; L274-L340 HydrophobicContact CD2-CB 4.41Å; L274-L340 PolarHBondContact N-O 2.86Å; L274-L340 PolarHBondContact O-N 2.74Å; P338-L340 VanDerWaalsContact C-N 3.29Å; L340-I342 HydrophobicContact CD2-CD1 4.06Å; L340-I342 HydrophobicContact CD2-CG1 4.17Å; L340-I342 HydrophobicContact CG-CD1 4.49Å; L340-I342 HydrophobicContact CG-CG1 4.07Å; L340-L376 HydrophobicContact CD2-CD2 4.22Å
341S95.4Very high80.4Confident67 Ų6777 Ų7747%0.46943%0.433SS..EExtended strand (participates in β ladder)trans-130.1128.5171.9-174.40000108.8
342I96Very high83.7Confident28 Ų2868.6 Ų68.614%0.14440%0.395CS..EExtended strand (participates in β ladder)trans-116.7122.2-177-55.3174.7000107.2V272 L340 H344 Y374V272-I342 HydrophobicContact CB-CB 4.28Å; V272-I342 PolarHBondContact N-O 3.22Å; V272-I342 PolarHBondContact O-N 2.9Å; L340-I342 HydrophobicContact CD2-CD1 4.06Å; L340-I342 HydrophobicContact CD2-CG1 4.17Å; L340-I342 HydrophobicContact CG-CD1 4.49Å; L340-I342 HydrophobicContact CG-CG1 4.07Å; I342-H344 PolarHBondContact O-N 2.96Å; I342-Y374 HydrophobicContact CD1-CD1 4.19Å; I342-Y374 HydrophobicContact CD1-CG 3.97Å; I342-Y374 HydrophobicContact CG2-CD1 3.75Å; I342-Y374 HydrophobicContact CG2-CD2 4.5Å; I342-Y374 HydrophobicContact CG2-CE1 3.52Å; I342-Y374 HydrophobicContact CG2-CE2 4.31Å; I342-Y374 HydrophobicContact CG2-CG 4.23Å
343S96.1Very high86.9Confident99 Ų9961.3 Ų61.369%0.69236%0.363SS*.EExtended strand (participates in β ladder)trans-79.7106170-170.10000109
344H96.5Very high89.5Confident23 Ų2353.4 Ų53.411%0.10633%0.327CS..  trans-81.8-37.4176.8-17649.4000111.1G270 V272 I342 D346 V348 V364 D366 Y374G270-H344 WeakPolarHBondContact O-CA 3.49Å; G270-H344 VanDerWaalsContact O-CB 3.31Å; G270-H344 WeakPolarHBondContact O-CB 3.37Å; G270-H344 PolarHBondContact O-N 2.83Å; V272-H344 HydrophobicContact CG2-CB 4.47Å; I342-H344 PolarHBondContact O-N 2.96Å; H344-D346 PolarHBondContact CD2-O 2.9Å; H344-V348 HydrophobicContact CB-CG2 4.35Å; H344-V364 WeakPolarHBondContact NE2-CG1 3.49Å; H344-D366 IonicContact CE1-OD2 2.95Å; H344-D366 PolarHBondContact CE1-OD2 3.07Å; H344-D366 WeakPolarHBondContact NE2-CB 3.33Å; H344-D366 IonicContact NE2-OD2 3.93Å; H344-D366 PolarHBondContact NE2-OD2 3.37Å; H344-Y374 AromaticContact ND1-CE2 3.79Å; H344-Y374 AromaticContact ND1-CZ 3.78Å; H344-Y374 PolarHBondContact ND1-OH 3.1Å
345G94.1Very high92.1Very high58 Ų5850.8 Ų50.860%0.59831%0.311SS*.SBendtrans102.4-42.9173.900000113.2G270G270-G345 PolarHBondContact O-N 3.35Å
346D96Very high94Very high92 Ų9247.9 Ų47.949%0.49229%0.293SS..SBendtrans-102.9161.7174.5-72.8-56.4000111.8G270 H344 V348 D366G270-D346 WeakPolarHBondContact CA-O 3.46Å; H344-D346 PolarHBondContact CD2-O 2.9Å; D346-V348 PolarHBondContact O-N 2.84Å; D346-D366 HydrophobicContact CB-CB 4.02Å
347K96.9Very high94.8Very high93 Ų9350.5 Ų50.540%0.40430%0.295SS..  trans-58.9130.4178.9-56.6-169.1-174.9172.50109.9N268 N349 D366N268-K347 HydrophobicContact CB-CD 4.28Å; K347-N349 PolarHBondContact O-N 3.34Å; K347-D366 WeakPolarHBondContact O-CA 3.49Å; K347-D366 WeakPolarHBondContact O-CB 3.11Å
348V97.8Very high94.8Very high0 Ų051.4 Ų51.40%030%0.304CS..  trans-81.5111.8177.1175.40000108.4S249 G267 V272 H344 D346 L351 V364S249-V348 VanDerWaalsContact CB-O 3.3Å; S249-V348 WeakPolarHBondContact CB-O 3.44Å; S249-V348 PolarHBondContact OG-O 3.18Å; G267-V348 PolarHBondContact O-N 3.01Å; V272-V348 HydrophobicContact CG2-CG2 3.73Å; H344-V348 HydrophobicContact CB-CG2 4.35Å; D346-V348 PolarHBondContact O-N 2.84Å; V348-L351 HydrophobicContact CG1-CD1 4.32Å; V348-L351 HydrophobicContact CG1-CD2 3.61Å; V348-L351 HydrophobicContact CG1-CG 3.65Å; V348-V364 HydrophobicContact CG1-CG1 3.98Å; V348-V364 HydrophobicContact CG2-CG1 4.1Å
349N96.4Very high94.7Very high52 Ų5253.6 Ų53.628%0.27831%0.309SS..  trans-90.2-41.7179.7-69.6-16.2000111.2Q250 K347 A365 D366Q250-N349 WeakPolarHBondContact CG-O 3.24Å; Q250-N349 PolarHBondContact NE2-O 3.01Å; K347-N349 PolarHBondContact O-N 3.34Å; N349-A365 PolarHBondContact N-O 2.97Å; N349-D366 VanDerWaalsContact ND2-C 3.34Å; N349-D366 PolarHBondContact ND2-O 3.41Å; N349-D366 VanDerWaalsContact ND2-O 3.14Å
350W98.3Very high94.6Very high47 Ų4749.7 Ų49.718%0.17830%0.296CS..EExtended strand (participates in β ladder)trans-136.6145-180-155.9-87.7000112.5C15 V16 Q250 A365C15-W350 HydrophobicContact CB-CD2 4.15Å; C15-W350 HydrophobicContact CB-CE3 4.2Å; C15-W350 HydrophobicContact CB-CH2 4.26Å; C15-W350 HydrophobicContact CB-CZ2 4.19Å; C15-W350 HydrophobicContact CB-CZ3 4.26Å; V16-W350 PolarHBondContact O-NE1 2.84Å; Q250-W350 VanDerWaalsContact NE2-CD2 3.35Å; W350-A365 HydrophobicContact CB-CB 4Å; W350-A365 PolarHBondContact N-O 2.8Å; W350-A365 PolarHBondContact O-N 3.44Å
351L97.8Very high94.6Very high2 Ų248.2 Ų48.21%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-127.3133.6174.3-73.4-175.6000110.3Q250 H252 V264 V272 V348 V362 I363 V364Q250-L351 HydrophobicContact CB-CB 3.98Å; Q250-L351 HydrophobicContact CB-CD1 3.97Å; Q250-L351 HydrophobicContact CB-CG 3.94Å; Q250-L351 HydrophobicContact CG-CB 4.38Å; Q250-L351 HydrophobicContact CG-CG 4.44Å; H252-L351 PolarHBondContact CD2-O 2.78Å; H252-L351 VanDerWaalsContact CD2-O 3.29Å; H252-L351 PolarHBondContact NE2-O 3.37Å; V264-L351 HydrophobicContact CG1-CD1 4.49Å; V264-L351 HydrophobicContact CG2-CD1 4.17Å; V272-L351 HydrophobicContact CG1-CD2 4.32Å; V272-L351 HydrophobicContact CG2-CD2 4.07Å; V348-L351 HydrophobicContact CG1-CD1 4.32Å; V348-L351 HydrophobicContact CG1-CD2 3.61Å; V348-L351 HydrophobicContact CG1-CG 3.65Å; L351-V362 HydrophobicContact CD2-CG2 3.89Å; L351-I363 WeakPolarHBondContact CA-O 3.44Å; L351-V364 HydrophobicContact CD2-CB 4.24Å; L351-V364 HydrophobicContact CD2-CG1 4.12Å; L351-V364 HydrophobicContact CD2-CG2 3.66Å
352C97.6Very high94.7Very high10 Ų1045 Ų457%0.06827%0.266CS..EExtended strand (participates in β ladder)trans-132.796.5175.4-179.60000109.7V16 A18 A354 I363V16-C352 HydrophobicContact CB-CB 3.84Å; V16-C352 HydrophobicContact CG1-CB 3.73Å; A18-C352 VanDerWaalsContact CB-SG 3.59Å; C352-A354 PolarHBondContact O-N 2.79Å; C352-I363 HydrophobicContact CB-CB 4.26Å; C352-I363 PolarHBondContact N-O 2.83Å; C352-I363 PolarHBondContact O-N 3.33Å
353P96.3Very high94.8Very high24 Ų2443.7 Ų43.716%0.15626%0.259CS..EExtended strand (participates in β ladder)trans-66.4131.8169.627.5-32.3000110.1H252 I254 F256 V264 S361H252-P353 HydrophobicContact CB-CG 3.86Å; I254-P353 HydrophobicContact CD1-CB 4.22Å; I254-P353 HydrophobicContact CG1-CB 3.9Å; I254-P353 HydrophobicContact CG1-CG 4.33Å; F256-P353 HydrophobicContact CE1-CB 4.43Å; F256-P353 HydrophobicContact CZ-CB 4.03Å; V264-P353 HydrophobicContact CG1-CB 4.3Å; V264-P353 HydrophobicContact CG1-CG 4.27Å; P353-S361 WeakPolarHBondContact CA-O 3.36Å
354A94.4Very high94.9Very high6 Ų639 Ų395%0.0523%0.226CC..EExtended strand (participates in β ladder)trans-147.7163.4-178.700000111.6A18 I26 C352 L356 S361 I363A18-A354 HydrophobicContact CB-CB 3.73Å; I26-A354 HydrophobicContact CD1-CB 4.27Å; C352-A354 PolarHBondContact O-N 2.79Å; A354-L356 HydrophobicContact CB-CD2 4.26Å; A354-L356 HydrophobicContact CB-CG 4.42Å; A354-S361 PolarHBondContact N-O 2.86Å; A354-S361 PolarHBondContact O-N 2.73Å; A354-I363 HydrophobicContact CB-CD1 4.4Å
355V92.5Very high95Very high65 Ų6537.9 Ų37.939%0.39422%0.221SC..EExtended strand (participates in β ladder)trans-101.1109.7168.5-179.60000108.3F256F256-V355 HydrophobicContact CB-CG2 4.05Å; F256-V355 HydrophobicContact CD1-CG2 3.93Å; F256-V355 HydrophobicContact CD2-CG2 3.49Å; F256-V355 VanDerWaalsContact CD2-CG2 3.49Å; F256-V355 HydrophobicContact CE1-CG2 4.21Å; F256-V355 HydrophobicContact CE2-CG2 3.8Å; F256-V355 HydrophobicContact CG-CG2 3.55Å; F256-V355 HydrophobicContact CZ-CG2 4.15Å
356L91.4Very high95.1Very high11 Ų1135.5 Ų35.56%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-108.2121-179.6-58.6179.8000108.7W5 I26 R40 A354 G358 E359 I363 V373W5-L356 HydrophobicContact CH2-CD1 4.01Å; W5-L356 HydrophobicContact CH2-CD2 4.48Å; W5-L356 HydrophobicContact CZ2-CD1 4.08Å; I26-L356 HydrophobicContact CD1-CD2 4.07Å; I26-L356 HydrophobicContact CG1-CD2 4.24Å; R40-L356 HydrophobicContact CB-CD2 3.94Å; A354-L356 HydrophobicContact CB-CD2 4.26Å; A354-L356 HydrophobicContact CB-CG 4.42Å; L356-G358 PolarHBondContact O-N 3.31Å; L356-G358 VanDerWaalsContact O-N 3.14Å; L356-E359 PolarHBondContact N-O 2.69Å; L356-E359 PolarHBondContact O-N 3.01Å; L356-I363 HydrophobicContact CD1-CD1 4.33Å; L356-I363 HydrophobicContact CD1-CG1 4.33Å; L356-V373 HydrophobicContact CD1-CG1 3.52Å
357K87.9Confident95Very high130 Ų13036.2 Ų36.257%0.56520%0.195SC*.THydrogen-bonded Turntrans54.830.8-178-55.6174.7-178.9175.20114R40 E41 E359R40-K357 HydrophobicContact CG-CG 4.09Å; E41-K357 VanDerWaalsContact CG-CE 3.44Å; E41-K357 WeakPolarHBondContact OE1-CE 3.15Å; K357-E359 VanDerWaalsContact C-N 3.28Å
358G87.2Confident94.9Very high65 Ų6533.5 Ų33.567%0.6719%0.188SC*.THydrogen-bonded Turntrans83-0.5-176.900000114.4L356L356-G358 PolarHBondContact O-N 3.31Å; L356-G358 VanDerWaalsContact O-N 3.14Å
359E90.6Very high94.9Very high101 Ų10135.8 Ų35.847%0.47220%0.202SC..EExtended strand (participates in β ladder)trans-104.7128.6177.6-63.9-173.6176.400111.1L356 K357 S361L356-E359 PolarHBondContact N-O 2.69Å; L356-E359 PolarHBondContact O-N 3.01Å; K357-E359 VanDerWaalsContact C-N 3.28Å; E359-S361 PolarHBondContact O-N 2.84Å; E359-S361 PolarHBondContact O-OG 3Å
360P93.3Very high95Very high34 Ų3435 Ų3522%0.22120%0.198CC..EExtended strand (participates in β ladder)trans-54.2128.3167.9-28.438000110.9F256 L257 L376F256-P360 HydrophobicContact CD2-CB 4.26Å; F256-P360 HydrophobicContact CD2-CG 4.38Å; F256-P360 HydrophobicContact CE2-CB 3.89Å; F256-P360 HydrophobicContact CE2-CG 4.48Å; L257-P360 HydrophobicContact CD2-CB 3.87Å; L257-P360 HydrophobicContact CD2-CG 3.84Å; P360-L376 HydrophobicContact CB-CB 4.15Å; P360-L376 WeakPolarHBondContact O-CB 3.41Å; P360-L376 PolarHBondContact O-N 2.78Å
361S95.3Very high94.9Very high5 Ų532.7 Ų32.74%0.03519%0.189CC..EExtended strand (participates in β ladder)trans-142.6158.9-179.6-63.30000110.4P353 A354 E359 Y374P353-S361 WeakPolarHBondContact CA-O 3.36Å; A354-S361 PolarHBondContact N-O 2.86Å; A354-S361 PolarHBondContact O-N 2.73Å; E359-S361 PolarHBondContact O-N 2.84Å; E359-S361 PolarHBondContact O-OG 3Å; S361-Y374 CarbonylContact C-O 3.49Å; S361-Y374 WeakPolarHBondContact CA-O 3.34Å
362V97.1Very high95Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans-119.1128.5167.162.90000109.6V264 V272 L351 V364 V373 Y374 L376V264-V362 HydrophobicContact CG1-CG2 4.4Å; V264-V362 HydrophobicContact CG2-CG2 4.12Å; V272-V362 HydrophobicContact CG1-CG1 4.27Å; L351-V362 HydrophobicContact CD2-CG2 3.89Å; V362-V364 HydrophobicContact CG2-CG2 4.48Å; V362-V373 WeakPolarHBondContact O-CA 3.47Å; V362-Y374 HydrophobicContact CG1-CD2 4.43Å; V362-Y374 PolarHBondContact N-O 3.11Å; V362-Y374 PolarHBondContact O-N 3.4Å; V362-L376 HydrophobicContact CG1-CD2 4.11Å
363I98.1Very high95Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-95.8133.4173.6-49.7175.7000107.4W5 V16 I26 L351 C352 A354 L356 L371 V373W5-I363 HydrophobicContact CH2-CD1 4.5Å; W5-I363 HydrophobicContact CZ3-CD1 4.39Å; V16-I363 HydrophobicContact CG1-CG2 4.1Å; I26-I363 HydrophobicContact CB-CD1 4.38Å; I26-I363 HydrophobicContact CD1-CD1 3.49Å; I26-I363 VanDerWaalsContact CD1-CD1 3.49Å; I26-I363 HydrophobicContact CG1-CD1 3.65Å; I26-I363 HydrophobicContact CG2-CD1 3.82Å; L351-I363 WeakPolarHBondContact CA-O 3.44Å; C352-I363 HydrophobicContact CB-CB 4.26Å; C352-I363 PolarHBondContact N-O 2.83Å; C352-I363 PolarHBondContact O-N 3.33Å; A354-I363 HydrophobicContact CB-CD1 4.4Å; L356-I363 HydrophobicContact CD1-CD1 4.33Å; L356-I363 HydrophobicContact CD1-CG1 4.33Å; I363-L371 HydrophobicContact CG2-CB 4.06Å; I363-L371 HydrophobicContact CG2-CD1 4.22Å; I363-L371 HydrophobicContact CG2-CD2 4.17Å; I363-L371 HydrophobicContact CG2-CG 4.4Å; I363-V373 HydrophobicContact CG1-CG1 4.49Å; I363-V373 HydrophobicContact CG1-CG2 4.08Å; I363-V373 HydrophobicContact CG2-CG2 4.23Å
364V98.4Very high95Very high0 Ų033.2 Ų33.20%019%0.189CC..EExtended strand (participates in β ladder)trans-121.6129.4-175.6-172.90000108.3V272 H344 V348 L351 V362 T372 Y374V272-V364 HydrophobicContact CG2-CG1 4.42Å; V272-V364 HydrophobicContact CG2-CG2 4.01Å; H344-V364 WeakPolarHBondContact NE2-CG1 3.49Å; V348-V364 HydrophobicContact CG1-CG1 3.98Å; V348-V364 HydrophobicContact CG2-CG1 4.1Å; L351-V364 HydrophobicContact CD2-CB 4.24Å; L351-V364 HydrophobicContact CD2-CG1 4.12Å; L351-V364 HydrophobicContact CD2-CG2 3.66Å; V362-V364 HydrophobicContact CG2-CG2 4.48Å; V364-T372 PolarHBondContact N-O 2.94Å; V364-T372 PolarHBondContact O-N 3.08Å; V364-Y374 HydrophobicContact CB-CE2 4.35Å; V364-Y374 HydrophobicContact CG2-CD2 3.64Å; V364-Y374 HydrophobicContact CG2-CE2 3.72Å
365A98.1Very high94.9Very high0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-109.7130.5163.700000108.5I13 V16 N349 W350 L371I13-A365 HydrophobicContact CB-CB 3.97Å; I13-A365 HydrophobicContact CG2-CB 3.73Å; V16-A365 HydrophobicContact CG2-CB 3.98Å; N349-A365 PolarHBondContact N-O 2.97Å; W350-A365 HydrophobicContact CB-CB 4Å; W350-A365 PolarHBondContact N-O 2.8Å; W350-A365 PolarHBondContact O-N 3.44Å; A365-L371 HydrophobicContact CB-CD2 3.9Å
366D96.3Very high94.8Very high9 Ų932.4 Ų32.45%0.04818%0.184CC..  trans-110.7-155.1174.954.725.8000109.5H344 D346 K347 N349 S368H344-D366 IonicContact CE1-OD2 2.95Å; H344-D366 PolarHBondContact CE1-OD2 3.07Å; H344-D366 WeakPolarHBondContact NE2-CB 3.33Å; H344-D366 IonicContact NE2-OD2 3.93Å; H344-D366 PolarHBondContact NE2-OD2 3.37Å; D346-D366 HydrophobicContact CB-CB 4.02Å; K347-D366 WeakPolarHBondContact O-CA 3.49Å; K347-D366 WeakPolarHBondContact O-CB 3.11Å; N349-D366 VanDerWaalsContact ND2-C 3.34Å; N349-D366 PolarHBondContact ND2-O 3.41Å; N349-D366 VanDerWaalsContact ND2-O 3.14Å; D366-S368 PolarHBondContact O-N 3.37Å; D366-S368 WeakPolarHBondContact OD1-CA 3.25Å; D366-S368 WeakPolarHBondContact OD1-CB 3.34Å; D366-S368 PolarHBondContact OD1-N 2.81Å; D366-S368 PolarHBondContact OD1-OG 3.14Å
367Q93.3Very high94Very high106 Ų10635.8 Ų35.850%0.49521%0.209SC..SBendtrans-75.4-7.6176.4-68.7170.440.100113.1S12S12-Q367 VanDerWaalsContact OG-C 3.3Å; S12-Q367 WeakPolarHBondContact OG-CA 3.46Å; S12-Q367 PolarHBondContact OG-O 3.13Å
368S95.6Very high92.8Very high36 Ų3637.5 Ų37.525%0.25222%0.219SC..SBendtrans-81.4176.4-179.483.60000112.6I13 D366 N370I13-S368 PolarHBondContact N-O 3.39Å; D366-S368 PolarHBondContact O-N 3.37Å; D366-S368 WeakPolarHBondContact OD1-CA 3.25Å; D366-S368 WeakPolarHBondContact OD1-CB 3.34Å; D366-S368 PolarHBondContact OD1-N 2.81Å; D366-S368 PolarHBondContact OD1-OG 3.14Å; S368-N370 PolarHBondContact O-N 3.43Å; S368-N370 PolarHBondContact OG-N 2.8Å; S368-N370 VanDerWaalsContact OG-N 3.16Å
369T97.3Very high91.4Very high48 Ų4839.7 Ų39.729%0.29422%0.215SC..SBendtrans-87.99.8175.568.10000112.6H9 S11H9-T369 WeakPolarHBondContact O-CB 3.48Å; S11-T369 WeakPolarHBondContact O-CG2 3.15Å
370N97.3Very high91.4Very high35 Ų3536.6 Ų36.619%0.18720%0.202CC..SBendtrans-120.8154.5-170.9-55.1-56.7000111.4L4 W5 S6 S368L4-N370 HydrophobicContact CD1-CB 3.59Å; L4-N370 HydrophobicContact CG-CB 4.12Å; W5-N370 WeakPolarHBondContact O-CA 3.39Å; S6-N370 VanDerWaalsContact CA-OD1 3.24Å; S6-N370 WeakPolarHBondContact CA-OD1 3.43Å; S6-N370 WeakPolarHBondContact CB-OD1 3.25Å; S368-N370 PolarHBondContact O-N 3.43Å; S368-N370 PolarHBondContact OG-N 2.8Å; S368-N370 VanDerWaalsContact OG-N 3.16Å
371L98.2Very high91.3Very high0 Ų036.7 Ų36.70%020%0.201CC..EExtended strand (participates in β ladder)trans-100.6137.1168.9-62174.6000109.6L4 W5 I13 V16 W38 I363 A365L4-L371 CarbonylContact C-O 3.53Å; W5-L371 HydrophobicContact CB-CB 4.24Å; W5-L371 HydrophobicContact CE3-CD1 4.15Å; W5-L371 PolarHBondContact N-O 3.48Å; W5-L371 PolarHBondContact O-N 3.12Å; I13-L371 HydrophobicContact CD1-CD2 3.57Å; I13-L371 HydrophobicContact CD1-CG 3.7Å; I13-L371 HydrophobicContact CG2-CD2 4.05Å; V16-L371 HydrophobicContact CG2-CD2 3.54Å; W38-L371 HydrophobicContact CZ2-CD1 4.21Å; I363-L371 HydrophobicContact CG2-CB 4.06Å; I363-L371 HydrophobicContact CG2-CD1 4.22Å; I363-L371 HydrophobicContact CG2-CD2 4.17Å; I363-L371 HydrophobicContact CG2-CG 4.4Å; A365-L371 HydrophobicContact CB-CD2 3.9Å
372T98.1Very high91.1Very high15 Ų1538.5 Ų38.59%0.09221%0.21CC..EExtended strand (participates in β ladder)trans-109.9127.1171-58.20000110V364 Y374V364-T372 PolarHBondContact N-O 2.94Å; V364-T372 PolarHBondContact O-N 3.08Å; T372-Y374 HydrophobicContact CG2-CD2 4.18Å; T372-Y374 HydrophobicContact CG2-CE1 4.13Å; T372-Y374 HydrophobicContact CG2-CE2 3.5Å; T372-Y374 VanDerWaalsContact CG2-CZ 3.48Å
373V97.5Very high90.8Very high4 Ų440.8 Ų40.82%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-108.6123.5-179.4-177.90000110.2G2 S3 W5 L356 V362 I363G2-V373 CarbonylContact C-O 3.56Å; G2-V373 WeakPolarHBondContact CA-O 3.33Å; S3-V373 PolarHBondContact N-O 2.9Å; S3-V373 PolarHBondContact O-N 3.05Å; W5-V373 HydrophobicContact CD2-CG2 3.8Å; W5-V373 VanDerWaalsContact CE2-CG2 3.5Å; W5-V373 HydrophobicContact CE3-CG2 4.23Å; W5-V373 HydrophobicContact CG-CG2 4.38Å; W5-V373 HydrophobicContact CH2-CG2 4.13Å; W5-V373 HydrophobicContact CZ2-CG2 3.7Å; W5-V373 HydrophobicContact CZ3-CG2 4.38Å; L356-V373 HydrophobicContact CD1-CG1 3.52Å; V362-V373 WeakPolarHBondContact O-CA 3.47Å; I363-V373 HydrophobicContact CG1-CG1 4.49Å; I363-V373 HydrophobicContact CG1-CG2 4.08Å; I363-V373 HydrophobicContact CG2-CG2 4.23Å
374Y96.6Very high90.3Very high27 Ų2743.3 Ų43.311%0.10624%0.236CC..EExtended strand (participates in β ladder)trans-109.9113.5174.9-62.2-80.7000110.4I342 H344 S361 V362 V364 T372I342-Y374 HydrophobicContact CD1-CD1 4.19Å; I342-Y374 HydrophobicContact CD1-CG 3.97Å; I342-Y374 HydrophobicContact CG2-CD1 3.75Å; I342-Y374 HydrophobicContact CG2-CD2 4.5Å; I342-Y374 HydrophobicContact CG2-CE1 3.52Å; I342-Y374 HydrophobicContact CG2-CE2 4.31Å; I342-Y374 HydrophobicContact CG2-CG 4.23Å; H344-Y374 AromaticContact ND1-CE2 3.79Å; H344-Y374 AromaticContact ND1-CZ 3.78Å; H344-Y374 PolarHBondContact ND1-OH 3.1Å; S361-Y374 CarbonylContact C-O 3.49Å; S361-Y374 WeakPolarHBondContact CA-O 3.34Å; V362-Y374 HydrophobicContact CG1-CD2 4.43Å; V362-Y374 PolarHBondContact N-O 3.11Å; V362-Y374 PolarHBondContact O-N 3.4Å; V364-Y374 HydrophobicContact CB-CE2 4.35Å; V364-Y374 HydrophobicContact CG2-CD2 3.64Å; V364-Y374 HydrophobicContact CG2-CE2 3.72Å; T372-Y374 HydrophobicContact CG2-CD2 4.18Å; T372-Y374 HydrophobicContact CG2-CE1 4.13Å; T372-Y374 HydrophobicContact CG2-CE2 3.5Å; T372-Y374 VanDerWaalsContact CG2-CZ 3.48Å
375P93.8Very high89.8Confident50 Ų5046.2 Ų46.233%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-63.2137169.4-20.632.6000110.8S377P375-S377 VanDerWaalsContact C-N 3.3Å
376L89.6Confident89.2Confident4 Ų449.5 Ų49.52%0.02127%0.27CS..  trans-96.823.7176.1-57.2179.2000111.7I254 L340 P360 V362 Q378 L379I254-L376 HydrophobicContact CD1-CD1 3.97Å; L340-L376 HydrophobicContact CD2-CD2 4.22Å; P360-L376 HydrophobicContact CB-CB 4.15Å; P360-L376 WeakPolarHBondContact O-CB 3.41Å; P360-L376 PolarHBondContact O-N 2.78Å; V362-L376 HydrophobicContact CG1-CD2 4.11Å; L376-Q378 PolarHBondContact O-N 3.41Å; L376-L379 HydrophobicContact CB-CD1 4Å; L376-L379 PolarHBondContact O-N 2.9Å
377S74.6Confident88.6Confident83 Ų8352.6 Ų52.658%0.5829%0.287SS*.THydrogen-bonded Turntrans-65.7-3.1-176.250.60000115P375 L379P375-S377 VanDerWaalsContact C-N 3.3Å; S377-L379 VanDerWaalsContact C-N 3.34Å
378Q62Low88.2Confident165 Ų16548.2 Ų48.277%0.77127%0.269SS*.THydrogen-bonded Turntrans-90.89.1176.7-63.4-171.4-8.500113.9L376L376-Q378 PolarHBondContact O-N 3.41Å
379L58.5Low87.6Confident111 Ų11149.3 Ų49.358%0.58127%0.271SS*.  trans-90.30-179.9-77.1171.9000114.8L257 W262 L274 L376 S377L257-L379 HydrophobicContact CD1-CD1 3.85Å; L257-L379 HydrophobicContact CD2-CD1 4.13Å; W262-L379 HydrophobicContact CH2-CD2 3.43Å; W262-L379 VanDerWaalsContact CH2-CD2 3.43Å; W262-L379 HydrophobicContact CZ2-CD2 4.18Å; W262-L379 HydrophobicContact CZ3-CD2 3.73Å; L274-L379 HydrophobicContact CD2-CD1 3.29Å; L274-L379 HydrophobicContact CD2-CD2 3.53Å; L274-L379 HydrophobicContact CD2-CG 3.73Å; L376-L379 HydrophobicContact CB-CD1 4Å; L376-L379 PolarHBondContact O-N 2.9Å; S377-L379 VanDerWaalsContact C-N 3.34Å

Retrieved 379 of 379 residues in 577 ms (Link to these results)