A0A087XKF1_POEFO Loading...

Transmembrane protein 25

AlphaFold DB , UniProt , Accession A0A087XKF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low34Very low217 Ų217166.9 Ų166.9100%1.06985%0.85SS**  094.90-72.1161.4168.900106.4
2E30Very low34.6Very low172 Ų172158.2 Ų158.280%0.80483%0.833SS**  68123.571.3-64.4166.614200109.9
3S29.7Very low35.5Very low107 Ų107155.5 Ų155.575%0.74884%0.835SS**  cis-156125.71.7-75.10000107.2
4A31.3Very low36.3Very low86 Ų86151.6 Ų151.671%0.71184%0.835SS**  109.494.185.300000112.9
5W31.5Very low37.1Very low225 Ų225150.7 Ų150.785%0.85284%0.835SS**  trans52.4105.6146.2-65.789.7000121.3
6L35.7Very low37.8Very low168 Ų168148.9 Ų148.988%0.8883%0.829SS**  trans-60.7133.1144.4-81.479.1000110
7R32.2Very low38.1Very low220 Ų220150.6 Ų150.683%0.8383%0.826SS**  trans-137.7120.5145.9-85.3-164179.4-154.8-0.1111.1
8T37.1Very low38.4Very low132 Ų132153.3 Ų153.381%0.8183%0.829SS**  trans-44136.3163.944.20000113.4
9W31Very low38.5Very low250 Ų250153.6 Ų153.695%0.94783%0.83SS**  trans-121.6155151.9-107.154.3000110.7
10T33Very low38.9Very low126 Ų126151.6 Ų151.677%0.77382%0.823SS**  trans-86.5159.1-153.943.70000115.4G12T10-G12 PolarHBondContact O-N 3Å
11S46.1Very low39.3Very low133 Ų133151.3 Ų151.393%0.9382%0.82SS**  trans-44.8129.5159-177.50000111.8
12G41.2Very low39.7Very low62 Ų62145.5 Ų145.564%0.63981%0.807SS**  trans-174.5127.6176.500000112.9T10T10-G12 PolarHBondContact O-N 3Å
13S45.5Very low40.5Very low123 Ų123145.9 Ų145.986%0.8681%0.813SS**  trans58.866.6162.6-59.60000118.3
14A46.5Very low41.1Very low101 Ų101145 Ų14584%0.83581%0.808SS**  trans-113.328.5166.500000114
15V49.5Very low41.7Very low139 Ų139152.7 Ų152.784%0.84282%0.818SS**SBendtrans-140.734.5-179.9-154.70000113.8
16V47.6Very low42.2Very low122 Ų122149 Ų14974%0.73982%0.821SS**SBendtrans-142.641.6171.2-154.80000113.4
17F43.3Very low42.2Very low178 Ų178144 Ų14478%0.78181%0.809SS**SBendtrans-138.324.1176.4-88.4-72.4000115.1
18F43.5Very low42.6Very low199 Ų199137.8 Ų137.887%0.87381%0.805SS**SBendtrans-131.121.7175.3-98.8-76.2000114.4
19N39.4Very low43.2Very low159 Ų159138.4 Ų138.485%0.8580%0.802SS**SBendtrans-131.418.6176.2-87.1-55.4000114.2
20T47.3Very low44.5Very low113 Ų113134.2 Ų134.269%0.69379%0.793SS**SBendtrans-124.216.617849.40000113.3
21L47Very low45.8Very low145 Ų145129.2 Ų129.276%0.75976%0.763SS**SBendtrans-126.730-178-92.7161.9000112.9
22A44.5Very low47Very low95 Ų95124.5 Ų124.579%0.78573%0.732SS**SBendtrans-132.422.7179.500000113.6
23L47.1Very low49.2Very low180 Ų180121.7 Ų121.794%0.94270%0.702SS**SBendtrans-126.97.7178.8-95.8155.9000113.5
24S43.2Very low51.3Low90 Ų90118.8 Ų118.863%0.62967%0.674SS**SBendtrans-94.3118.9172.853.30000110.9
25W44.2Very low53.4Low246 Ų246114 Ų11493%0.93264%0.635SS**  trans67.879.4169.2-69.7-7.9000118.4
26T41.3Very low55.2Low149 Ų149110.9 Ų110.991%0.91461%0.613SS**  -120.647.5129.861.30000110.6A28T26-A28 PolarHBondContact O-N 3.35Å; T26-A28 VanDerWaalsContact O-N 3.17Å
27G35.5Very low57Low61 Ų61107.3 Ų107.363%0.62960%0.6SS**  trans-71.7100.815900000107.2I29G27-I29 PolarHBondContact O-N 3.43Å; G27-I29 VanDerWaalsContact O-N 3.13Å
28A40.8Very low59.1Low90 Ų90107 Ų10774%0.74459%0.594SS**  trans-58.9118.3170.300000107.5T26 E30T26-A28 PolarHBondContact O-N 3.35Å; T26-A28 VanDerWaalsContact O-N 3.17Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 2.9Å
29I50.6Low61Low145 Ų145102.5 Ų102.574%0.74458%0.576SS**  trans-72.195.7176.6-60.4174.4000106.2G27G27-I29 PolarHBondContact O-N 3.43Å; G27-I29 VanDerWaalsContact O-N 3.13Å
30E56.5Low63.2Low162 Ų162102.2 Ų102.276%0.75757%0.569SS**  trans-61.3129.4177.7-70.1177.2141.100109.3A28 A32A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 2.9Å; E30-A32 PolarHBondContact O-N 2.9Å
31P61.3Low65.2Low22 Ų2297.9 Ų97.914%0.14355%0.545CS..  trans-69.7102.6-178.128-34.4000110.1L33 V59 W60 Y132P31-L33 PolarHBondContact O-N 3.25Å; P31-V59 HydrophobicContact CB-CB 4.25Å; P31-V59 WeakPolarHBondContact CB-O 3.31Å; P31-W60 HydrophobicContact CB-CE3 4.17Å; P31-W60 HydrophobicContact CB-CZ3 4.29Å; P31-W60 HydrophobicContact CG-CZ3 4.27Å; P31-Y132 HydrophobicContact CG-CD1 3.84Å; P31-Y132 HydrophobicContact CG-CD2 3.66Å; P31-Y132 HydrophobicContact CG-CE1 3.56Å; P31-Y132 HydrophobicContact CG-CE2 3.37Å; P31-Y132 HydrophobicContact CG-CG 3.89Å
32A71.5Confident67.2Low33 Ų3395 Ų9527%0.27354%0.543SS..  trans-73.195.9-178.500000111.3E30E30-A32 PolarHBondContact O-N 2.9Å
33L87.4Confident69.5Low4 Ų492.1 Ų92.12%0.02152%0.515CS..EExtended strand (participates in β ladder)trans-70.3138.4164.5-16766.1000109.5P31 L68 C121 A123 Y132 A134P31-L33 PolarHBondContact O-N 3.25Å; L33-L68 HydrophobicContact CD1-CD2 4.14Å; L33-C121 HydrophobicContact CD2-CB 4.41Å; L33-C121 VanDerWaalsContact CD2-O 3.31Å; L33-C121 WeakPolarHBondContact CD2-O 3.37Å; L33-A123 HydrophobicContact CD1-CB 3.73Å; L33-A123 HydrophobicContact CD2-CB 3.77Å; L33-A123 HydrophobicContact CG-CB 4.35Å; L33-Y132 VanDerWaalsContact CD2-O 3.31Å; L33-Y132 WeakPolarHBondContact CD2-O 3.09Å; L33-A134 HydrophobicContact CB-CB 4.22Å; L33-A134 HydrophobicContact CD2-CB 4.21Å; L33-A134 HydrophobicContact CG-CB 4Å
34K90.1Very high71.6Confident61 Ų6187.3 Ų87.327%0.26549%0.493SS..EExtended strand (participates in β ladder)trans-137.2139.1-176-67.2166.2-171.9167.40111.3R38 C55 Q56 D58K34-R38 CarbonylContact C-O 3.57Å; K34-R38 WeakPolarHBondContact CA-O 3.42Å; K34-C55 CarbonylContact O-C 3.55Å; K34-C55 WeakPolarHBondContact O-CA 3.3Å; K34-Q56 PolarHBondContact N-O 3.17Å; K34-Q56 PolarHBondContact O-N 3.31Å; K34-D58 WeakPolarHBondContact CE-OD2 3.47Å; K34-D58 IonicContact NZ-OD2 3.91Å; K34-D58 PolarHBondContact NZ-OD2 3.09Å
35I89.3Confident74Confident2 Ų283.2 Ų83.21%0.0146%0.464CS..EExtended strand (participates in β ladder)trans-104.1124.5164.1-62164000107.5G37 R38 F53 N54 C55 W70 C121 A134 V136I35-G37 PolarHBondContact O-N 3.37Å; I35-G37 VanDerWaalsContact O-N 3.08Å; I35-R38 PolarHBondContact N-O 2.96Å; I35-R38 PolarHBondContact O-N 3.29Å; I35-F53 HydrophobicContact CG2-CB 4.01Å; I35-F53 HydrophobicContact CG2-CD1 3.88Å; I35-F53 HydrophobicContact CG2-CG 4.38Å; I35-N54 CarbonylContact C-O 3.55Å; I35-N54 WeakPolarHBondContact CA-O 3.49Å; I35-C55 HydrophobicContact CG1-CB 4.32Å; I35-W70 HydrophobicContact CD1-CZ3 3.96Å; I35-W70 HydrophobicContact CG1-CH2 4.24Å; I35-W70 HydrophobicContact CG1-CZ3 4.18Å; I35-W70 HydrophobicContact CG2-CH2 4.36Å; I35-C121 HydrophobicContact CD1-CB 3.77Å; I35-C121 HydrophobicContact CG1-CB 3.87Å; I35-A134 HydrophobicContact CD1-CB 4.03Å; I35-A134 VanDerWaalsContact CD1-O 3.29Å; I35-A134 WeakPolarHBondContact CD1-O 3.29Å; I35-A134 HydrophobicContact CG1-CB 3.9Å; I35-V136 HydrophobicContact CB-CG2 3.83Å; I35-V136 HydrophobicContact CD1-CG2 3.8Å; I35-V136 HydrophobicContact CG1-CG2 4.44Å; I35-V136 HydrophobicContact CG2-CG2 3.62Å
36D88.8Confident76.3Confident73 Ų7376.5 Ų76.539%0.3944%0.443SS..THydrogen-bonded Turntrans49.137.6-177.6-55.1-40.8000113.4F53 N54D36-F53 VanDerWaalsContact OD2-CD1 3.29Å; D36-F53 WeakPolarHBondContact OD2-CD1 3.3Å; D36-N54 PolarHBondContact N-O 2.92Å; D36-N54 WeakPolarHBondContact OD1-CB 3.45Å; D36-N54 PolarHBondContact OD1-N 2.96Å
37G84.9Confident78.8Confident46 Ų4672.8 Ų72.847%0.47442%0.415SS..THydrogen-bonded Turntrans84.21.4179.400000115.9I35I35-G37 PolarHBondContact O-N 3.37Å; I35-G37 VanDerWaalsContact O-N 3.08Å
38R86.5Confident81.5Confident173 Ų17374.4 Ų74.465%0.65341%0.41SS*.BIsolated β-bridgetrans-123.2142.6178.9-61.7-174.8179.8-1400.2111.9K34 I35 A41K34-R38 CarbonylContact C-O 3.57Å; K34-R38 WeakPolarHBondContact CA-O 3.42Å; I35-R38 PolarHBondContact N-O 2.96Å; I35-R38 PolarHBondContact O-N 3.29Å; R38-A41 HydrophobicContact CB-CB 4.2Å
39Q84.3Confident84Confident104 Ų10474 Ų7449%0.48639%0.393SS..SBendtrans-76.8-36.1175.3-174.1178.38.200112.1A134 T135Q39-A134 CarbonylContact O-C 3.55Å; Q39-A134 VanDerWaalsContact O-CA 3.3Å; Q39-A134 WeakPolarHBondContact O-CA 3.41Å; Q39-T135 PolarHBondContact O-N 2.81Å
40Q86.1Confident86Confident152 Ų15271.3 Ų71.371%0.7138%0.384SS*.EExtended strand (participates in β ladder)trans-129.7130.9171.9-67.1-177.6-1000108.8T135Q40-T135 WeakPolarHBondContact CA-O 3.48Å
41A87.7Confident87.8Confident23 Ų2366.5 Ų66.519%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-143.1161.1177.400000111.8R38 T135 V136 T137R38-A41 HydrophobicContact CB-CB 4.2Å; A41-T135 PolarHBondContact N-O 3.17Å; A41-T135 VanDerWaalsContact N-O 3.11Å; A41-V136 HydrophobicContact CB-CG1 4.47Å; A41-V136 HydrophobicContact CB-CG2 4.35Å; A41-V136 CarbonylContact O-C 3.58Å; A41-V136 WeakPolarHBondContact O-CA 3.3Å; A41-T137 PolarHBondContact O-N 3.36Å
42A90.5Very high89.4Confident85 Ų8573.9 Ų73.970%0.70239%0.386SS*.EExtended strand (participates in β ladder)trans-121.9130.6166.800000108.5T137A42-T137 WeakPolarHBondContact CA-O 3.45Å
43V91.4Very high90.4Very high34 Ų3472.3 Ų72.321%0.20637%0.373CS..EExtended strand (participates in β ladder)trans-128127.1-177.8179.20000109.5L45 F53 V136 T137 N139V43-L45 HydrophobicContact CG1-CD2 3.76Å; V43-L45 HydrophobicContact CG1-CG 4.04Å; V43-F53 HydrophobicContact CG2-CE1 4.35Å; V43-V136 HydrophobicContact CB-CG1 4.05Å; V43-V136 HydrophobicContact CG2-CG1 3.67Å; V43-T137 PolarHBondContact N-O 3.44Å; V43-N139 PolarHBondContact O-N 3.42Å
44T92.4Very high90.6Very high79 Ų7973.9 Ų73.949%0.48538%0.381SS..EExtended strand (participates in β ladder)trans-89.9125.9173.3-61.60000109.4N139 Q141T44-N139 WeakPolarHBondContact CA-O 3.23Å; T44-N139 PolarHBondContact OG1-ND2 3.19Å; T44-N139 VanDerWaalsContact OG1-ND2 3.16Å; T44-Q141 HydrophobicContact CG2-CG 3.88Å; T44-Q141 VanDerWaalsContact CG2-NE2 3.28Å
45L93.4Very high90.6Very high3 Ų371 Ų712%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-126.7149.2179-60.5177.9000109.3V43 M49 H51 F53 A112 L138 N139 V140 Q141V43-L45 HydrophobicContact CG1-CD2 3.76Å; V43-L45 HydrophobicContact CG1-CG 4.04Å; L45-M49 HydrophobicContact CB-CE 4.19Å; L45-M49 HydrophobicContact CD2-CE 3.54Å; L45-M49 HydrophobicContact CG-CE 4.49Å; L45-H51 HydrophobicContact CD1-CB 4.14Å; L45-H51 HydrophobicContact CD2-CB 3.75Å; L45-F53 HydrophobicContact CD1-CZ 4.29Å; L45-A112 HydrophobicContact CB-CB 4.04Å; L45-A112 HydrophobicContact CD1-CB 4.02Å; L45-L138 HydrophobicContact CD1-CD2 4.18Å; L45-N139 PolarHBondContact N-O 3.27Å; L45-V140 CarbonylContact O-C 3.6Å; L45-V140 VanDerWaalsContact O-CA 3.31Å; L45-V140 WeakPolarHBondContact O-CA 3.39Å; L45-Q141 PolarHBondContact O-N 2.71Å
46Q92.9Very high90.6Very high106 Ų10674.1 Ų74.150%0.49538%0.384SS..EExtended strand (participates in β ladder)trans-85146.5166.6-168.6173.2-5.100109.8M49 Q141 V228Q46-M49 HydrophobicContact CB-CB 4.41Å; Q46-M49 WeakPolarHBondContact O-CB 3.35Å; Q46-M49 PolarHBondContact O-N 3.49Å; Q46-M49 VanDerWaalsContact O-N 3.13Å; Q46-Q141 CarbonylContact C-O 3.55Å; Q46-Q141 WeakPolarHBondContact CA-O 3.32Å; Q46-V228 HydrophobicContact CG-CG1 4.3Å
47E92.8Very high90.3Very high71 Ų7171.2 Ų71.233%0.33237%0.369SS..THydrogen-bonded Turntrans-50.5142.9170.8176.1173.9-152.700110.6M49 K114 V140 Q141 F142E47-M49 PolarHBondContact O-N 3.31Å; E47-K114 VanDerWaalsContact CD-CE 3.42Å; E47-K114 VanDerWaalsContact CD-CG 3.42Å; E47-K114 HydrophobicContact CG-CG 4.36Å; E47-K114 VanDerWaalsContact OE1-CE 3.22Å; E47-K114 WeakPolarHBondContact OE1-CE 3.33Å; E47-K114 WeakPolarHBondContact OE1-CG 3.27Å; E47-K114 WeakPolarHBondContact OE2-CE 3.42Å; E47-V140 HydrophobicContact CB-CG1 4.27Å; E47-Q141 PolarHBondContact N-O 3.38Å; E47-F142 HydrophobicContact CB-CB 4.02Å; E47-F142 VanDerWaalsContact OE2-CB 3.3Å; E47-F142 WeakPolarHBondContact OE2-CB 3.5Å
48N92.6Very high89.7Confident95 Ų9573.3 Ų73.351%0.50837%0.369SS..THydrogen-bonded Turntrans68.1-9.4-178.5-164.331.4000115R111 A112N48-R111 PolarHBondContact OD1-NE 2.97Å; N48-R111 PolarHBondContact OD1-NH2 2.93Å; N48-A112 PolarHBondContact N-O 3.46Å
49M92.8Very high88.8Confident81 Ų8168.5 Ų68.540%0.39936%0.359SS..  trans-67.6141.3171.6-165167.475.900110.6L45 Q46 E47 A112L45-M49 HydrophobicContact CB-CE 4.19Å; L45-M49 HydrophobicContact CD2-CE 3.54Å; L45-M49 HydrophobicContact CG-CE 4.49Å; Q46-M49 HydrophobicContact CB-CB 4.41Å; Q46-M49 WeakPolarHBondContact O-CB 3.35Å; Q46-M49 PolarHBondContact O-N 3.49Å; Q46-M49 VanDerWaalsContact O-N 3.13Å; E47-M49 PolarHBondContact O-N 3.31Å; M49-A112 PolarHBondContact O-N 3.46Å
50T93.8Very high88.1Confident88 Ų8865.4 Ų65.454%0.5434%0.343SS..EExtended strand (participates in β ladder)trans-102.9124.2174.7-56.60000109.8L110T50-L110 CarbonylContact C-O 3.55Å; T50-L110 VanDerWaalsContact CA-O 3.29Å; T50-L110 WeakPolarHBondContact CA-O 3.23Å
51H93.4Very high87.3Confident62 Ų6259.9 Ų59.929%0.28732%0.318SS..EExtended strand (participates in β ladder)trans-119140177.1-165.984.8000110.1L45 F53 S109 L110L45-H51 HydrophobicContact CD1-CB 4.14Å; L45-H51 HydrophobicContact CD2-CB 3.75Å; H51-F53 HydrophobicContact CB-CE2 4.13Å; H51-F53 HydrophobicContact CB-CZ 4.42Å; H51-F53 AromaticContact CD2-CD1 3.82Å; H51-F53 AromaticContact CD2-CD2 3.88Å; H51-F53 AromaticContact CD2-CE1 3.56Å; H51-F53 AromaticContact CD2-CE2 3.64Å; H51-F53 AromaticContact CD2-CG 3.98Å; H51-F53 AromaticContact CD2-CZ 3.48Å; H51-F53 VanDerWaalsContact CD2-CZ 3.48Å; H51-F53 WeakPolarHBondContact CD2-CZ 3.31Å; H51-S109 CarbonylContact O-C 3.35Å; H51-S109 WeakPolarHBondContact O-CA 3.45Å; H51-L110 PolarHBondContact N-O 2.98Å; H51-L110 PolarHBondContact O-N 3.08Å
52R94Very high86.3Confident176 Ų17664.1 Ų64.166%0.66434%0.344SS*.EExtended strand (participates in β ladder)trans-111.5102.6-178-174.2-175.767.8-153.90.1110.2F108R52-F108 WeakPolarHBondContact CA-O 3.48Å
53F93.3Very high85.4Confident0 Ų070 Ų700%035%0.348CS..EExtended strand (participates in β ladder)trans-80145.8175.7-62.2-84.3000110.7I35 D36 V43 L45 H51 W70 T107 F108 L110 L119 V136 L138I35-F53 HydrophobicContact CG2-CB 4.01Å; I35-F53 HydrophobicContact CG2-CD1 3.88Å; I35-F53 HydrophobicContact CG2-CG 4.38Å; D36-F53 VanDerWaalsContact OD2-CD1 3.29Å; D36-F53 WeakPolarHBondContact OD2-CD1 3.3Å; V43-F53 HydrophobicContact CG2-CE1 4.35Å; L45-F53 HydrophobicContact CD1-CZ 4.29Å; H51-F53 HydrophobicContact CB-CE2 4.13Å; H51-F53 HydrophobicContact CB-CZ 4.42Å; H51-F53 AromaticContact CD2-CD1 3.82Å; H51-F53 AromaticContact CD2-CD2 3.88Å; H51-F53 AromaticContact CD2-CE1 3.56Å; H51-F53 AromaticContact CD2-CE2 3.64Å; H51-F53 AromaticContact CD2-CG 3.98Å; H51-F53 AromaticContact CD2-CZ 3.48Å; H51-F53 VanDerWaalsContact CD2-CZ 3.48Å; H51-F53 WeakPolarHBondContact CD2-CZ 3.31Å; F53-W70 HydrophobicContact CB-CH2 3.75Å; F53-W70 HydrophobicContact CB-CZ3 4.13Å; F53-T107 CarbonylContact O-C 3.54Å; F53-T107 VanDerWaalsContact O-CA 3.28Å; F53-T107 WeakPolarHBondContact O-CA 3.49Å; F53-F108 PolarHBondContact N-O 2.89Å; F53-F108 PolarHBondContact O-N 3.47Å; F53-L110 HydrophobicContact CD2-CB 4.24Å; F53-L110 HydrophobicContact CE2-CB 3.93Å; F53-L110 HydrophobicContact CE2-CD2 4.06Å; F53-L119 HydrophobicContact CB-CD2 3.96Å; F53-L119 HydrophobicContact CD1-CD2 4.03Å; F53-L119 HydrophobicContact CD2-CD2 3.26Å; F53-L119 HydrophobicContact CE1-CD2 4.37Å; F53-L119 HydrophobicContact CE2-CD2 3.65Å; F53-L119 HydrophobicContact CG-CD2 3.47Å; F53-L119 VanDerWaalsContact CG-CD2 3.47Å; F53-L119 HydrophobicContact CZ-CD2 4.19Å; F53-V136 HydrophobicContact CE1-CG1 4.03Å; F53-L138 HydrophobicContact CE2-CD2 4.44Å; F53-L138 HydrophobicContact CZ-CD2 3.76Å
54N92.1Very high84.5Confident37 Ų3768.7 Ų68.720%0.19834%0.341CS..EExtended strand (participates in β ladder)trans-122.6115.5176.4179.96.1000110.3I35 D36 Q56 N105 T107I35-N54 CarbonylContact C-O 3.55Å; I35-N54 WeakPolarHBondContact CA-O 3.49Å; D36-N54 PolarHBondContact N-O 2.92Å; D36-N54 WeakPolarHBondContact OD1-CB 3.45Å; D36-N54 PolarHBondContact OD1-N 2.96Å; N54-Q56 PolarHBondContact ND2-NE2 2.99Å; N54-N105 PolarHBondContact OD1-ND2 3.32Å; N54-N105 PolarHBondContact OD1-OD1 3.45Å; N54-T107 HydrophobicContact CB-CG2 4.18Å
55C90.3Very high83.7Confident0 Ų066.6 Ų66.60%033%0.329CS..EExtended strand (participates in β ladder)trans-96.9124.8176.8-178.60000110.5K34 I35 W70 N105 S106 C121K34-C55 CarbonylContact O-C 3.55Å; K34-C55 WeakPolarHBondContact O-CA 3.3Å; I35-C55 HydrophobicContact CG1-CB 4.32Å; C55-W70 HydrophobicContact CB-CH2 3.55Å; C55-W70 HydrophobicContact CB-CZ2 3.37Å; C55-W70 HydrophobicContact CB-CZ3 4.44Å; C55-N105 VanDerWaalsContact O-CA 3.29Å; C55-N105 WeakPolarHBondContact O-CA 3.34Å; C55-S106 PolarHBondContact N-O 3.37Å; C55-S106 PolarHBondContact O-N 2.96Å; C55-C121 HydrophobicContact CB-CB 3.69Å; C55-C121 WeakPolarHBondContact CB-SG 3.48Å; C55-C121 WeakPolarHBondContact SG-CB 3.28Å; C55-C121 CovalentContact SG-SG 2.03Å; C55-C121 PolarHBondContact SG-SG 3.39Å
56Q88.2Confident83.2Confident69 Ų6966.7 Ų66.732%0.32233%0.33SS..EExtended strand (participates in β ladder)trans-124.7133.4-175.4-60.5176.824.200110.6K34 N54K34-Q56 PolarHBondContact N-O 3.17Å; K34-Q56 PolarHBondContact O-N 3.31Å; N54-Q56 PolarHBondContact ND2-NE2 2.99Å
57S82.6Confident82.9Confident12 Ų1265.7 Ų65.78%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-108.9106.2173.766.10000110.7H104S57-H104 PolarHBondContact N-O 3.49Å; S57-H104 PolarHBondContact OG-O 3.29Å
58D72.9Confident82.7Confident90 Ų9063.4 Ų63.448%0.48132%0.317SS..  trans-80.1-24.3-173-66.8-19.6000114.3K34K34-D58 WeakPolarHBondContact CE-OD2 3.47Å; K34-D58 IonicContact NZ-OD2 3.91Å; K34-D58 PolarHBondContact NZ-OD2 3.09Å
59V67.1Low82.6Confident72 Ų7259.7 Ų59.744%0.43630%0.298SS..SBendtrans-136.6110.9-172.3-177.80000109.8P31P31-V59 HydrophobicContact CB-CB 4.25Å; P31-V59 WeakPolarHBondContact CB-O 3.31Å
60W69.1Low82.6Confident39 Ų3956.3 Ų56.315%0.14828%0.281CS..  trans-156.6156.7177.5-147.5-94000112.3P31 P62 A64 P66 A123 N125 Y132P31-W60 HydrophobicContact CB-CE3 4.17Å; P31-W60 HydrophobicContact CB-CZ3 4.29Å; P31-W60 HydrophobicContact CG-CZ3 4.27Å; W60-P62 VanDerWaalsContact O-CD 3.23Å; W60-P62 WeakPolarHBondContact O-CD 3.36Å; W60-A64 PolarHBondContact NE1-O 3.33Å; W60-P66 HydrophobicContact CD2-CB 3.97Å; W60-P66 HydrophobicContact CD2-CG 4.17Å; W60-P66 HydrophobicContact CE3-CB 4.48Å; W60-P66 HydrophobicContact CG-CB 4.36Å; W60-P66 HydrophobicContact CG-CG 4.14Å; W60-P66 HydrophobicContact CH2-CB 4.32Å; W60-P66 HydrophobicContact CZ2-CB 3.79Å; W60-A123 HydrophobicContact CH2-CB 4Å; W60-A123 HydrophobicContact CZ3-CB 4.07Å; W60-N125 HydrophobicContact CZ2-CB 3.68Å; W60-Y132 AromaticContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CE2 4.1Å; W60-Y132 AromaticContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CE2 4.05Å
61D69.1Low82.7Confident36 Ų3655.4 Ų55.419%0.19327%0.268CS..  trans-64.9116.4175.9-176.9-3.3000109.5R63 A64 R127D61-R63 PolarHBondContact O-N 3.2Å; D61-R63 WeakPolarHBondContact OD1-CB 3.37Å; D61-R63 IonicContact OD1-CZ 3.91Å; D61-R63 PolarHBondContact OD1-N 2.95Å; D61-R63 VanDerWaalsContact OD1-N 3.07Å; D61-R63 IonicContact OD1-NE 3.17Å; D61-R63 PolarHBondContact OD1-NE 2.6Å; D61-R63 VanDerWaalsContact OD1-NE 3.17Å; D61-R63 IonicContact OD1-NH2 3.72Å; D61-R63 IonicContact OD2-NE 3.93Å; D61-R63 IonicContact OD2-NH2 3.88Å; D61-A64 CarbonylContact O-C 3.58Å; D61-A64 PolarHBondContact O-N 2.97Å; D61-R127 IonicContact OD2-CZ 2.67Å; D61-R127 IonicContact OD2-NH1 3.54Å; D61-R127 PolarHBondContact OD2-NH1 3.31Å; D61-R127 IonicContact OD2-NH2 2.66Å; D61-R127 PolarHBondContact OD2-NH2 3.38Å
62P68.4Low82.7Confident112 Ų11253.5 Ų53.573%0.72726%0.26SS*.THydrogen-bonded Turntrans-60.5-18.7-179-24.535.4000113.7W60W60-P62 VanDerWaalsContact O-CD 3.23Å; W60-P62 WeakPolarHBondContact O-CD 3.36Å
63R71.6Confident82.6Confident207 Ų20748.7 Ų48.778%0.78125%0.247SC*.THydrogen-bonded Turntrans-86.5-6178.2-60.7170.5-67.3-167.2-0.2113.6D61D61-R63 PolarHBondContact O-N 3.2Å; D61-R63 WeakPolarHBondContact OD1-CB 3.37Å; D61-R63 IonicContact OD1-CZ 3.91Å; D61-R63 PolarHBondContact OD1-N 2.95Å; D61-R63 VanDerWaalsContact OD1-N 3.07Å; D61-R63 IonicContact OD1-NE 3.17Å; D61-R63 PolarHBondContact OD1-NE 2.6Å; D61-R63 VanDerWaalsContact OD1-NE 3.17Å; D61-R63 IonicContact OD1-NH2 3.72Å; D61-R63 IonicContact OD2-NE 3.93Å; D61-R63 IonicContact OD2-NH2 3.88Å
64A71.9Confident82.5Confident8 Ų851.4 Ų51.47%0.06628%0.275CS..SBendtrans-147.868.2-179.100000110.2W60 D61W60-A64 PolarHBondContact NE1-O 3.33Å; D61-A64 CarbonylContact O-C 3.58Å; D61-A64 PolarHBondContact O-N 2.97Å
65P75.7Confident82.5Confident35 Ų3556.6 Ų56.623%0.22730%0.298CS..  trans-55.6148.7-176.323.9-34.6000112.1T102 P126P65-T102 HydrophobicContact CG-CG2 3.85Å; P65-P126 WeakPolarHBondContact O-CD 3.49Å
66P83.4Confident82.6Confident5 Ų562.6 Ų62.63%0.03233%0.326CS..  trans-70.3141.2-177.627.4-29.7000110.8W60 L68 A123 S124W60-P66 HydrophobicContact CD2-CB 3.97Å; W60-P66 HydrophobicContact CD2-CG 4.17Å; W60-P66 HydrophobicContact CE3-CB 4.48Å; W60-P66 HydrophobicContact CG-CB 4.36Å; W60-P66 HydrophobicContact CG-CG 4.14Å; W60-P66 HydrophobicContact CH2-CB 4.32Å; W60-P66 HydrophobicContact CZ2-CB 3.79Å; P66-L68 HydrophobicContact CB-CD2 4.39Å; P66-L68 HydrophobicContact CG-CD2 4.41Å; P66-L68 PolarHBondContact O-N 3.08Å; P66-A123 HydrophobicContact CB-CB 3.97Å; P66-S124 WeakPolarHBondContact CA-O 3.46Å
67L86.1Confident82.8Confident85 Ų8561.7 Ų61.745%0.44532%0.322SS..EExtended strand (participates in β ladder)trans-81.9109.7159.3176.266.4000107.7P100 S124L67-P100 HydrophobicContact CD1-CB 4.24Å; L67-S124 PolarHBondContact N-O 2.99Å; L67-S124 PolarHBondContact O-N 2.89Å; L67-S124 PolarHBondContact O-OG 3.44Å; L67-S124 VanDerWaalsContact O-OG 3.05Å
68L88.6Confident82.7Confident22 Ų2270.6 Ų70.612%0.11536%0.359CS..EExtended strand (participates in β ladder)trans-79.8138.3173.1-61.3-179.2000109.8L33 P66 N103 V122 A123L33-L68 HydrophobicContact CD1-CD2 4.14Å; P66-L68 HydrophobicContact CB-CD2 4.39Å; P66-L68 HydrophobicContact CG-CD2 4.41Å; P66-L68 PolarHBondContact O-N 3.08Å; L68-N103 WeakPolarHBondContact CD1-O 3.22Å; L68-V122 CarbonylContact C-O 3.52Å; L68-V122 WeakPolarHBondContact CA-O 3.36Å; L68-A123 HydrophobicContact CD2-CB 3.66Å
69T90.4Very high82.3Confident18 Ų1872.3 Ų72.311%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-145.8135.9178.5-64.90000110.3Y71 Q76 V122T69-Y71 HydrophobicContact CG2-CD2 4.15Å; T69-Y71 HydrophobicContact CG2-CE2 3.45Å; T69-Y71 VanDerWaalsContact CG2-CE2 3.45Å; T69-Q76 HydrophobicContact CG2-CG 3.6Å; T69-Q76 VanDerWaalsContact CG2-NE2 3.32Å; T69-V122 PolarHBondContact N-O 2.95Å; T69-V122 PolarHBondContact O-N 2.89Å
70W93.6Very high81.6Confident10 Ų1073.8 Ų73.84%0.03838%0.375CS..EExtended strand (participates in β ladder)trans-98.6140.3179.6-67.495.4000111.4I35 F53 C55 Q77 S106 F108 L119 V120 C121I35-W70 HydrophobicContact CD1-CZ3 3.96Å; I35-W70 HydrophobicContact CG1-CH2 4.24Å; I35-W70 HydrophobicContact CG1-CZ3 4.18Å; I35-W70 HydrophobicContact CG2-CH2 4.36Å; F53-W70 HydrophobicContact CB-CH2 3.75Å; F53-W70 HydrophobicContact CB-CZ3 4.13Å; C55-W70 HydrophobicContact CB-CH2 3.55Å; C55-W70 HydrophobicContact CB-CZ2 3.37Å; C55-W70 HydrophobicContact CB-CZ3 4.44Å; W70-Q77 HydrophobicContact CB-CB 4.11Å; W70-Q77 HydrophobicContact CB-CG 4.47Å; W70-Q77 PolarHBondContact O-N 3.03Å; W70-S106 WeakPolarHBondContact CZ2-O 3.39Å; W70-S106 PolarHBondContact NE1-OG 3.26Å; W70-F108 HydrophobicContact CB-CD2 4.44Å; W70-F108 HydrophobicContact CB-CG 4.45Å; W70-F108 HydrophobicContact CD2-CB 3.54Å; W70-F108 HydrophobicContact CD2-CG 4.1Å; W70-F108 VanDerWaalsContact CE2-CB 3.43Å; W70-F108 HydrophobicContact CE3-CB 4.03Å; W70-F108 HydrophobicContact CE3-CD1 4.49Å; W70-F108 HydrophobicContact CE3-CG 4.45Å; W70-F108 HydrophobicContact CG-CB 3.87Å; W70-F108 HydrophobicContact CG-CD2 4.35Å; W70-F108 HydrophobicContact CG-CG 4.11Å; W70-F108 HydrophobicContact CH2-CB 4.2Å; W70-F108 HydrophobicContact CZ2-CB 3.76Å; W70-F108 HydrophobicContact CZ3-CB 4.33Å; W70-L119 HydrophobicContact CE3-CD1 3.9Å; W70-L119 HydrophobicContact CE3-CD2 4Å; W70-L119 HydrophobicContact CE3-CG 3.87Å; W70-L119 HydrophobicContact CZ3-CD1 4.38Å; W70-L119 HydrophobicContact CZ3-CD2 3.64Å; W70-L119 HydrophobicContact CZ3-CG 3.89Å; W70-V120 CarbonylContact C-O 3.39Å; W70-V120 WeakPolarHBondContact CA-O 3.21Å; W70-C121 HydrophobicContact CD2-CB 4.42Å; W70-C121 HydrophobicContact CE3-CB 4.01Å; W70-C121 HydrophobicContact CH2-CB 4.31Å; W70-C121 HydrophobicContact CZ3-CB 3.95Å
71Y94.6Very high80.4Confident69 Ų6975.6 Ų75.627%0.27139%0.394SS..EExtended strand (participates in β ladder)trans-129.3131.5173.8-63.6-100000109.4T69 E75 Q76 L119 V120 V122T69-Y71 HydrophobicContact CG2-CD2 4.15Å; T69-Y71 HydrophobicContact CG2-CE2 3.45Å; T69-Y71 VanDerWaalsContact CG2-CE2 3.45Å; Y71-E75 CarbonylContact C-O 3.53Å; Y71-E75 VanDerWaalsContact CA-O 3.29Å; Y71-E75 WeakPolarHBondContact CA-O 3.34Å; Y71-Q76 HydrophobicContact CD1-CB 3.92Å; Y71-Q76 HydrophobicContact CD1-CG 4.49Å; Y71-Q76 HydrophobicContact CE1-CB 3.64Å; Y71-Q76 HydrophobicContact CE1-CG 4.03Å; Y71-L119 WeakPolarHBondContact O-CA 3.4Å; Y71-V120 PolarHBondContact N-O 3.08Å; Y71-V120 PolarHBondContact O-N 3.19Å; Y71-V122 HydrophobicContact CD2-CB 4.46Å; Y71-V122 HydrophobicContact CD2-CG2 3.77Å; Y71-V122 HydrophobicContact CE2-CB 4.07Å; Y71-V122 HydrophobicContact CE2-CG2 3.7Å
72L94.4Very high79.2Confident21 Ų2179.5 Ų79.511%0.1142%0.421CS..EExtended strand (participates in β ladder)trans-113.4120.8173.9-178.970.8000107.7G74 E75 Q77 L110 D116 L119 L138L72-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact O-N 3.1Å; L72-E75 PolarHBondContact N-O 2.89Å; L72-E75 PolarHBondContact O-N 3.41Å; L72-Q77 HydrophobicContact CB-CG 3.98Å; L72-L110 HydrophobicContact CD1-CD1 3.91Å; L72-L110 HydrophobicContact CD1-CD2 3.98Å; L72-L110 HydrophobicContact CD2-CD1 3.67Å; L72-L110 HydrophobicContact CG-CD1 4.45Å; L72-D116 HydrophobicContact CD1-CB 4.26Å; L72-L119 HydrophobicContact CD1-CD1 4.25Å; L72-L138 HydrophobicContact CD1-CD1 3.89Å
73N91.9Very high77.9Confident76 Ų7680.5 Ų80.541%0.40642%0.421SS..THydrogen-bonded Turntrans50.931.3-174.4-63.7-15000113.7W115 K117 E118N73-W115 PolarHBondContact ND2-O 3.2Å; N73-K117 PolarHBondContact OD1-N 2.97Å; N73-E118 PolarHBondContact N-O 3.25Å; N73-E118 PolarHBondContact OD1-N 2.97Å; N73-E118 VanDerWaalsContact OD1-N 3.14Å
74G90.3Very high76.3Confident57 Ų5782.2 Ų82.259%0.58843%0.427SS*.THydrogen-bonded Turntrans85.8-9.1-174.900000115.8L72L72-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact O-N 3.1Å
75E93Very high74.7Confident145 Ų14584.8 Ų84.868%0.67845%0.454SS*.EExtended strand (participates in β ladder)trans-86.8124.5175.9-65.7-169.3166.300111.9Y71 L72 Q77Y71-E75 CarbonylContact C-O 3.53Å; Y71-E75 VanDerWaalsContact CA-O 3.29Å; Y71-E75 WeakPolarHBondContact CA-O 3.34Å; L72-E75 PolarHBondContact N-O 2.89Å; L72-E75 PolarHBondContact O-N 3.41Å; E75-Q77 PolarHBondContact O-N 3.33Å; E75-Q77 PolarHBondContact O-NE2 3.02Å
76Q92.4Very high72.7Confident126 Ų12693.6 Ų93.659%0.58948%0.483SS*.EExtended strand (participates in β ladder)trans-63.8122.5178.5-170-179.11.100111.4T69 Y71T69-Q76 HydrophobicContact CG2-CG 3.6Å; T69-Q76 VanDerWaalsContact CG2-NE2 3.32Å; Y71-Q76 HydrophobicContact CD1-CB 3.92Å; Y71-Q76 HydrophobicContact CD1-CG 4.49Å; Y71-Q76 HydrophobicContact CE1-CB 3.64Å; Y71-Q76 HydrophobicContact CE1-CG 4.03Å
77Q91.3Very high70.4Confident51 Ų51102 Ų10224%0.23853%0.526CS..PPolyproline II helixtrans-85.2131.6178.2-57.6-56.8-6400110.2W70 L72 E75 E79 F108W70-Q77 HydrophobicContact CB-CB 4.11Å; W70-Q77 HydrophobicContact CB-CG 4.47Å; W70-Q77 PolarHBondContact O-N 3.03Å; L72-Q77 HydrophobicContact CB-CG 3.98Å; E75-Q77 PolarHBondContact O-N 3.33Å; E75-Q77 PolarHBondContact O-NE2 3.02Å; Q77-E79 PolarHBondContact O-N 3.34Å; Q77-F108 HydrophobicContact CB-CD2 4.49Å; Q77-F108 HydrophobicContact CB-CE2 3.74Å; Q77-F108 HydrophobicContact CB-CZ 4.04Å; Q77-F108 HydrophobicContact CG-CE1 4.44Å; Q77-F108 HydrophobicContact CG-CE2 3.95Å; Q77-F108 HydrophobicContact CG-CZ 3.7Å
78K80Confident67.8Low198 Ų198102.3 Ų102.386%0.86153%0.532SS*.PPolyproline II helixtrans-78.4121173.8-66.5179.6-178.2176.70108.6
79E64.8Low65.1Low127 Ų127110.2 Ų110.259%0.59357%0.571SS**PPolyproline II helixtrans-58.3130.2175.2-167.1168.5-132.400109.4Q77 S81 S106Q77-E79 PolarHBondContact O-N 3.34Å; E79-S81 PolarHBondContact O-N 3.48Å; E79-S106 PolarHBondContact OE1-OG 2.94Å
80P53.8Low62.1Low103 Ų103115.2 Ų115.267%0.66960%0.601SS**  trans-65.6108.3177.325.7-32.5000108.7
81S43.6Very low59.2Low77 Ų77119.8 Ų119.854%0.53864%0.635SS.*  trans-51.6123.2-179.757.40000110.3E79 N83E79-S81 PolarHBondContact O-N 3.48Å; S81-N83 PolarHBondContact O-N 3.29Å
82P44.4Very low56.6Low117 Ų117125.3 Ų125.376%0.7666%0.663SS**SBendtrans-62.6-17.5-173.620.8-31.7000113.5
83N40.3Very low53.7Low134 Ų134133 Ų13372%0.71770%0.695SS**  trans-112.380.4178.2-69.4-28.9000112.7S81 G85S81-N83 PolarHBondContact O-N 3.29Å; N83-G85 VanDerWaalsContact C-N 3.3Å
84R37.5Very low50.7Low242 Ų242135.7 Ų135.791%0.91371%0.71SS**  trans-10027148.5-126.1-177.8-166.1-1574112.2R86R84-R86 PolarHBondContact O-N 2.78Å
85G38.9Very low48Very low62 Ų62139 Ų13964%0.63972%0.724SS**SBendtrans-66.7111.8163.900000110.2N83 L87N83-G85 VanDerWaalsContact C-N 3.3Å; G85-L87 PolarHBondContact O-N 3.2Å
86R34.3Very low45.1Very low221 Ų221140.2 Ų140.283%0.83473%0.73SS**  trans-2.3110.5158-172.3-175.8-170.9-156.94.2114.8R84 V88R84-R86 PolarHBondContact O-N 2.78Å; R86-V88 HydrophobicContact CG-CG2 4.22Å; R86-V88 PolarHBondContact O-N 3.3Å
87L35.1Very low42.3Very low180 Ų180140.4 Ų140.494%0.94274%0.739SS**  trans-58.497.1167.9-73.7165.7000110.1G85G85-L87 PolarHBondContact O-N 3.2Å
88V31.3Very low39.7Very low93 Ų93145.1 Ų145.156%0.56477%0.765SS**  trans-96.3116161177.50000106.3R86 T90R86-V88 HydrophobicContact CG-CG2 4.22Å; R86-V88 PolarHBondContact O-N 3.3Å; V88-T90 HydrophobicContact CG1-CG2 4.5Å; V88-T90 PolarHBondContact O-N 3.39Å
89M30.7Very low37.8Very low188 Ų188145.4 Ų145.493%0.92676%0.761SS**  trans-73.195.7-179.1-173.480.386.100110
90T28.9Very low37Very low122 Ų122144 Ų14475%0.74876%0.763SS**  trans-119.299.1167.837.70000111.2V88V88-T90 HydrophobicContact CG1-CG2 4.5Å; V88-T90 PolarHBondContact O-N 3.39Å
91S31Very low36.7Very low106 Ų106141.4 Ų141.474%0.74176%0.755SS**  trans29.497.3150.9-1700000119.3K93S91-K93 PolarHBondContact O-N 3.09Å
92Q40.3Very low37.2Very low185 Ų185142.3 Ų142.386%0.86476%0.757SS**  trans38.583.8130.5-165.9175.66.900118.4
93K34.2Very low38Very low183 Ų183141.5 Ų141.580%0.79675%0.747SS**  -159.3157.4125.5-131.6176.5177.6178.90111.8S91S91-K93 PolarHBondContact O-N 3.09Å
94D28.3Very low39.6Very low133 Ų133139.5 Ų139.571%0.71173%0.733SS**  trans56.188.6169.2-53.9-27.8000116.5E96D94-E96 PolarHBondContact O-N 3.04Å
95S33.4Very low41.8Very low127 Ų127131.4 Ų131.489%0.88871%0.708SS**  trans-68.571159.2-60.30000110.6V97S95-V97 PolarHBondContact O-N 3.47Å; S95-V97 VanDerWaalsContact O-N 3.07Å
96E32.1Very low44.1Very low169 Ų169128.9 Ų128.979%0.7968%0.68SS**  trans-63.7108.8159-80.3-158124.800108.4D94 L98D94-E96 PolarHBondContact O-N 3.04Å; E96-L98 PolarHBondContact O-N 3.37Å
97V34.9Very low46.8Very low131 Ų131121.6 Ų121.679%0.79466%0.661SS**  trans-54.8115.5165.9175.70000106.9S95 R99S95-V97 PolarHBondContact O-N 3.47Å; S95-V97 VanDerWaalsContact O-N 3.07Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.44Å
98L36Very low49.5Very low150 Ų150114.1 Ų114.179%0.78562%0.62SS**  trans-56.993.8-178.4-174.274.8000109.7E96E96-L98 PolarHBondContact O-N 3.37Å
99R39.8Very low52.4Low204 Ų204113.2 Ų113.277%0.7762%0.619SS**PPolyproline II helixtrans-63.8134.8175.1-74.4-180165.9140.1-3.3108V97 G101V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.44Å; R99-G101 PolarHBondContact O-N 2.99Å
100P47.7Very low55.4Low96 Ų96104.6 Ų104.662%0.62358%0.576SS**PPolyproline II helixtrans-50.8130.4166-24.434.1000108.8L67 T102L67-P100 HydrophobicContact CD1-CB 4.24Å; P100-T102 PolarHBondContact O-N 3.45Å; P100-T102 VanDerWaalsContact O-N 3.15Å
101G49.2Very low58.6Low50 Ų50106.3 Ų106.352%0.51557%0.569SS.*PPolyproline II helixtrans-57.7120.5-171.200000111R99 N103R99-G101 PolarHBondContact O-N 2.99Å; G101-N103 PolarHBondContact O-N 2.99Å
102T53.8Low61.5Low95 Ų95101.3 Ų101.358%0.58353%0.534SS*.  trans-7759.1179.653.30000110.9P65 P100P65-T102 HydrophobicContact CG-CG2 3.85Å; P100-T102 PolarHBondContact O-N 3.45Å; P100-T102 VanDerWaalsContact O-N 3.15Å
103N61Low64Low100 Ų100101 Ų10154%0.53553%0.525SS..  trans-104.7126.1-173.7-62.8-24000110.2L68 G101 N105L68-N103 WeakPolarHBondContact CD1-O 3.22Å; G101-N103 PolarHBondContact O-N 2.99Å; N103-N105 WeakPolarHBondContact CB-O 3.49Å; N103-N105 PolarHBondContact O-N 3.4Å; N103-N105 VanDerWaalsContact O-N 3.07Å
104H73.1Confident66.4Low92 Ų9294.7 Ų94.743%0.42650%0.498SS..SBendtrans-69.63.7169.7-59.4-74.9000113.6S57S57-H104 PolarHBondContact N-O 3.49Å; S57-H104 PolarHBondContact OG-O 3.29Å
105N83.9Confident69.1Low72 Ų7296.3 Ų96.339%0.38549%0.494SS..EExtended strand (participates in β ladder)trans-136.7130.3-179.4170.8-33.7000107.9N54 C55 N103N54-N105 PolarHBondContact OD1-ND2 3.32Å; N54-N105 PolarHBondContact OD1-OD1 3.45Å; C55-N105 VanDerWaalsContact O-CA 3.29Å; C55-N105 WeakPolarHBondContact O-CA 3.34Å; N103-N105 WeakPolarHBondContact CB-O 3.49Å; N103-N105 PolarHBondContact O-N 3.4Å; N103-N105 VanDerWaalsContact O-N 3.07Å
106S87.6Confident71.8Confident9 Ų990.9 Ų90.96%0.06346%0.455CS..EExtended strand (participates in β ladder)trans-128.9146.4164.61780000108.9C55 W70 E79C55-S106 PolarHBondContact N-O 3.37Å; C55-S106 PolarHBondContact O-N 2.96Å; W70-S106 WeakPolarHBondContact CZ2-O 3.39Å; W70-S106 PolarHBondContact NE1-OG 3.26Å; E79-S106 PolarHBondContact OE1-OG 2.94Å
107T90.6Very high74.5Confident69 Ų6989.4 Ų89.442%0.42345%0.446SS..EExtended strand (participates in β ladder)trans-120.3138.8177.261.30000110.8F53 N54F53-T107 CarbonylContact O-C 3.54Å; F53-T107 VanDerWaalsContact O-CA 3.28Å; F53-T107 WeakPolarHBondContact O-CA 3.49Å; N54-T107 HydrophobicContact CB-CG2 4.18Å
108F91.3Very high77.3Confident22 Ų2286.8 Ų86.810%0.09643%0.425CS..EExtended strand (participates in β ladder)trans-129.8124.5-179.1-178.9-107.5000111R52 F53 W70 Q77 L110 L119R52-F108 WeakPolarHBondContact CA-O 3.48Å; F53-F108 PolarHBondContact N-O 2.89Å; F53-F108 PolarHBondContact O-N 3.47Å; W70-F108 HydrophobicContact CB-CD2 4.44Å; W70-F108 HydrophobicContact CB-CG 4.45Å; W70-F108 HydrophobicContact CD2-CB 3.54Å; W70-F108 HydrophobicContact CD2-CG 4.1Å; W70-F108 VanDerWaalsContact CE2-CB 3.43Å; W70-F108 HydrophobicContact CE3-CB 4.03Å; W70-F108 HydrophobicContact CE3-CD1 4.49Å; W70-F108 HydrophobicContact CE3-CG 4.45Å; W70-F108 HydrophobicContact CG-CB 3.87Å; W70-F108 HydrophobicContact CG-CD2 4.35Å; W70-F108 HydrophobicContact CG-CG 4.11Å; W70-F108 HydrophobicContact CH2-CB 4.2Å; W70-F108 HydrophobicContact CZ2-CB 3.76Å; W70-F108 HydrophobicContact CZ3-CB 4.33Å; Q77-F108 HydrophobicContact CB-CD2 4.49Å; Q77-F108 HydrophobicContact CB-CE2 3.74Å; Q77-F108 HydrophobicContact CB-CZ 4.04Å; Q77-F108 HydrophobicContact CG-CE1 4.44Å; Q77-F108 HydrophobicContact CG-CE2 3.95Å; Q77-F108 HydrophobicContact CG-CZ 3.7Å; F108-L110 HydrophobicContact CD1-CB 4.21Å; F108-L110 HydrophobicContact CE1-CB 3.85Å; F108-L110 HydrophobicContact CE1-CD1 4.12Å; F108-L119 HydrophobicContact CD1-CD1 3.73Å; F108-L119 HydrophobicContact CD1-CD2 4.14Å; F108-L119 HydrophobicContact CE1-CD1 3.73Å
109S93.2Very high80.1Confident75 Ų7579.7 Ų79.752%0.52439%0.388SS..EExtended strand (participates in β ladder)trans-96.499.9178.1-640000110H51H51-S109 CarbonylContact O-C 3.35Å; H51-S109 WeakPolarHBondContact O-CA 3.45Å
110L94.1Very high82.7Confident7 Ų770.8 Ų70.84%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-88126.417617961.7000110.4T50 H51 F53 L72 F108 L138T50-L110 CarbonylContact C-O 3.55Å; T50-L110 VanDerWaalsContact CA-O 3.29Å; T50-L110 WeakPolarHBondContact CA-O 3.23Å; H51-L110 PolarHBondContact N-O 2.98Å; H51-L110 PolarHBondContact O-N 3.08Å; F53-L110 HydrophobicContact CD2-CB 4.24Å; F53-L110 HydrophobicContact CE2-CB 3.93Å; F53-L110 HydrophobicContact CE2-CD2 4.06Å; L72-L110 HydrophobicContact CD1-CD1 3.91Å; L72-L110 HydrophobicContact CD1-CD2 3.98Å; L72-L110 HydrophobicContact CD2-CD1 3.67Å; L72-L110 HydrophobicContact CG-CD1 4.45Å; F108-L110 HydrophobicContact CD1-CB 4.21Å; F108-L110 HydrophobicContact CE1-CB 3.85Å; F108-L110 HydrophobicContact CE1-CD1 4.12Å; L110-L138 HydrophobicContact CD2-CD1 3.47Å; L110-L138 VanDerWaalsContact CD2-CD1 3.47Å; L110-L138 HydrophobicContact CD2-CD2 4.28Å
111R94.8Very high84.9Confident157 Ų15766.2 Ų66.259%0.59233%0.326SS*.EExtended strand (participates in β ladder)trans-95.3104.7165.3-178.1178.4177.9-169.5-1.1108.7N48N48-R111 PolarHBondContact OD1-NE 2.97Å; N48-R111 PolarHBondContact OD1-NH2 2.93Å
112A92.8Very high86.9Confident2 Ų265.2 Ų65.22%0.01731%0.31CS..  trans-63.5135.5-167.800000113.3L45 N48 M49 D116 V140L45-A112 HydrophobicContact CB-CB 4.04Å; L45-A112 HydrophobicContact CD1-CB 4.02Å; N48-A112 PolarHBondContact N-O 3.46Å; M49-A112 PolarHBondContact O-N 3.46Å; A112-D116 WeakPolarHBondContact CA-OD2 3.38Å; A112-V140 HydrophobicContact CB-CG1 4.08Å; A112-V140 HydrophobicContact CB-CG2 4.09Å
113R91.4Very high88.6Confident179 Ų17960.7 Ų60.768%0.67528%0.282SS*.  trans-120.6154.7176.1-53179.6178.3-167.80.2110W115 D116 V140R113-W115 PolarHBondContact O-N 3.25Å; R113-D116 PolarHBondContact N-OD2 3.35Å; R113-D116 PolarHBondContact O-N 3.06Å; R113-V140 WeakPolarHBondContact O-CG1 3.41Å; R113-V140 WeakPolarHBondContact O-CG2 3.34Å
114K85.4Confident89.9Confident50 Ų5057.5 Ų57.522%0.21727%0.268CS..THydrogen-bonded Turntrans-52.9-10.8-177.7-52.3-176.8174172.60116.6E47 F142 E145E47-K114 VanDerWaalsContact CD-CE 3.42Å; E47-K114 VanDerWaalsContact CD-CG 3.42Å; E47-K114 HydrophobicContact CG-CG 4.36Å; E47-K114 VanDerWaalsContact OE1-CE 3.22Å; E47-K114 WeakPolarHBondContact OE1-CE 3.33Å; E47-K114 WeakPolarHBondContact OE1-CG 3.27Å; E47-K114 WeakPolarHBondContact OE2-CE 3.42Å; K114-F142 HydrophobicContact CB-CD1 3.9Å; K114-F142 HydrophobicContact CB-CE1 4.03Å; K114-F142 HydrophobicContact CB-CG 4.3Å; K114-F142 HydrophobicContact CD-CB 4.36Å; K114-F142 HydrophobicContact CD-CD1 4.39Å; K114-F142 HydrophobicContact CD-CD2 3.83Å; K114-F142 HydrophobicContact CD-CE2 4.23Å; K114-F142 HydrophobicContact CD-CG 3.96Å; K114-F142 HydrophobicContact CG-CB 4.06Å; K114-F142 HydrophobicContact CG-CD1 3.91Å; K114-F142 HydrophobicContact CG-CD2 4.22Å; K114-F142 HydrophobicContact CG-CE1 4.43Å; K114-F142 HydrophobicContact CG-CG 3.81Å; K114-E145 IonicContact NZ-OE2 3.46Å; K114-E145 PolarHBondContact NZ-OE2 3.5Å
115W84.4Confident90.5Very high166 Ų16653.8 Ų53.863%0.62925%0.251SS*.THydrogen-bonded Turntrans-124.55.2-173.4-58.9128.3000113.6N73 R113 K117 R170N73-W115 PolarHBondContact ND2-O 3.2Å; R113-W115 PolarHBondContact O-N 3.25Å; W115-K117 PolarHBondContact O-N 3.4Å; W115-R170 VanDerWaalsContact CE3-NH2 3.32Å; W115-R170 VanDerWaalsContact CH2-NH2 3.29Å; W115-R170 VanDerWaalsContact CZ3-NH2 3.34Å
116D89.9Confident90.4Very high13 Ų1355.2 Ų55.27%0.0727%0.265CS..  trans-73.8121.6172.7-57.1-18.8000107.8L72 A112 R113 L138 V140L72-D116 HydrophobicContact CD1-CB 4.26Å; A112-D116 WeakPolarHBondContact CA-OD2 3.38Å; R113-D116 PolarHBondContact N-OD2 3.35Å; R113-D116 PolarHBondContact O-N 3.06Å; D116-L138 HydrophobicContact CB-CD1 3.78Å; D116-V140 HydrophobicContact CB-CG2 4.16Å
117K90.3Very high90.1Very high139 Ų13962.2 Ų62.260%0.60429%0.29SS*.  trans-115.9-39.3-173.1-63.7-177.5-180-174.40112.6N73 W115 L138N73-K117 PolarHBondContact OD1-N 2.97Å; W115-K117 PolarHBondContact O-N 3.4Å; K117-L138 PolarHBondContact O-N 2.98Å
118E93.4Very high89.7Confident76 Ų7662.3 Ų62.336%0.35529%0.29SS..EExtended strand (participates in β ladder)trans-145.2133.9-175.4-170.1179.3-139.700110.9N73 V120 V136N73-E118 PolarHBondContact N-O 3.25Å; N73-E118 PolarHBondContact OD1-N 2.97Å; N73-E118 VanDerWaalsContact OD1-N 3.14Å; E118-V120 HydrophobicContact CG-CG2 3.75Å; E118-V136 WeakPolarHBondContact CA-O 3.34Å
119L95Very high89.2Confident0 Ų064.4 Ų64.40%032%0.318CS..EExtended strand (participates in β ladder)trans-112.3125.9166.7-177.870.9000108.6F53 W70 Y71 L72 F108 V136 L138F53-L119 HydrophobicContact CB-CD2 3.96Å; F53-L119 HydrophobicContact CD1-CD2 4.03Å; F53-L119 HydrophobicContact CD2-CD2 3.26Å; F53-L119 HydrophobicContact CE1-CD2 4.37Å; F53-L119 HydrophobicContact CE2-CD2 3.65Å; F53-L119 HydrophobicContact CG-CD2 3.47Å; F53-L119 VanDerWaalsContact CG-CD2 3.47Å; F53-L119 HydrophobicContact CZ-CD2 4.19Å; W70-L119 HydrophobicContact CE3-CD1 3.9Å; W70-L119 HydrophobicContact CE3-CD2 4Å; W70-L119 HydrophobicContact CE3-CG 3.87Å; W70-L119 HydrophobicContact CZ3-CD1 4.38Å; W70-L119 HydrophobicContact CZ3-CD2 3.64Å; W70-L119 HydrophobicContact CZ3-CG 3.89Å; Y71-L119 WeakPolarHBondContact O-CA 3.4Å; L72-L119 HydrophobicContact CD1-CD1 4.25Å; F108-L119 HydrophobicContact CD1-CD1 3.73Å; F108-L119 HydrophobicContact CD1-CD2 4.14Å; F108-L119 HydrophobicContact CE1-CD1 3.73Å; L119-V136 HydrophobicContact CB-CB 4.5Å; L119-V136 PolarHBondContact N-O 3.1Å; L119-V136 PolarHBondContact O-N 2.89Å; L119-L138 HydrophobicContact CB-CD1 4.22Å
120V94.8Very high88.7Confident17 Ų1766.1 Ų66.110%0.10332%0.317CS..EExtended strand (participates in β ladder)trans-119.7130.2179.5-173.70000109.4W70 Y71 E118 V122 N133 A134 T135W70-V120 CarbonylContact C-O 3.39Å; W70-V120 WeakPolarHBondContact CA-O 3.21Å; Y71-V120 PolarHBondContact N-O 3.08Å; Y71-V120 PolarHBondContact O-N 3.19Å; E118-V120 HydrophobicContact CG-CG2 3.75Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V120-N133 HydrophobicContact CG1-CB 4Å; V120-A134 WeakPolarHBondContact CA-O 3.49Å; V120-T135 HydrophobicContact CG1-CG2 4.12Å; V120-T135 HydrophobicContact CG2-CG2 3.96Å
121C92.9Very high88.4Confident0 Ų069.3 Ų69.30%034%0.34CS..EExtended strand (participates in β ladder)trans-99.5132163.2-178.30000108.2L33 I35 C55 W70 N133 A134L33-C121 HydrophobicContact CD2-CB 4.41Å; L33-C121 VanDerWaalsContact CD2-O 3.31Å; L33-C121 WeakPolarHBondContact CD2-O 3.37Å; I35-C121 HydrophobicContact CD1-CB 3.77Å; I35-C121 HydrophobicContact CG1-CB 3.87Å; C55-C121 HydrophobicContact CB-CB 3.69Å; C55-C121 WeakPolarHBondContact CB-SG 3.48Å; C55-C121 WeakPolarHBondContact SG-CB 3.28Å; C55-C121 CovalentContact SG-SG 2.03Å; C55-C121 PolarHBondContact SG-SG 3.39Å; W70-C121 HydrophobicContact CD2-CB 4.42Å; W70-C121 HydrophobicContact CE3-CB 4.01Å; W70-C121 HydrophobicContact CH2-CB 4.31Å; W70-C121 HydrophobicContact CZ3-CB 3.95Å; C121-N133 WeakPolarHBondContact O-CA 3.47Å; C121-A134 PolarHBondContact N-O 3.36Å; C121-A134 PolarHBondContact O-N 2.64Å
122V91.6Very high88.1Confident29 Ų2965.5 Ų65.518%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-117.9125.3175.8-1780000108.7L68 T69 Y71 V120 Y132 N133L68-V122 CarbonylContact C-O 3.52Å; L68-V122 WeakPolarHBondContact CA-O 3.36Å; T69-V122 PolarHBondContact N-O 2.95Å; T69-V122 PolarHBondContact O-N 2.89Å; Y71-V122 HydrophobicContact CD2-CB 4.46Å; Y71-V122 HydrophobicContact CD2-CG2 3.77Å; Y71-V122 HydrophobicContact CE2-CB 4.07Å; Y71-V122 HydrophobicContact CE2-CG2 3.7Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V122-Y132 WeakPolarHBondContact CA-O 3.29Å; V122-N133 HydrophobicContact CG2-CB 4.46Å
123A89.9Confident88.1Confident0 Ų069.7 Ų69.70%035%0.348CS..EExtended strand (participates in β ladder)trans-99.1122.5168.100000108.7L33 W60 P66 L68 S131 Y132L33-A123 HydrophobicContact CD1-CB 3.73Å; L33-A123 HydrophobicContact CD2-CB 3.77Å; L33-A123 HydrophobicContact CG-CB 4.35Å; W60-A123 HydrophobicContact CH2-CB 4Å; W60-A123 HydrophobicContact CZ3-CB 4.07Å; P66-A123 HydrophobicContact CB-CB 3.97Å; L68-A123 HydrophobicContact CD2-CB 3.66Å; A123-S131 CarbonylContact O-C 3.59Å; A123-S131 WeakPolarHBondContact O-CA 3.5Å; A123-S131 WeakPolarHBondContact O-CB 3.11Å; A123-Y132 PolarHBondContact N-O 2.92Å; A123-Y132 PolarHBondContact O-N 3.09Å
124S87.9Confident88.1Confident34 Ų3461.2 Ų61.224%0.23832%0.317CS..EExtended strand (participates in β ladder)trans-119.6138.4-178.259.50000112P66 L67 P126P66-S124 WeakPolarHBondContact CA-O 3.46Å; L67-S124 PolarHBondContact N-O 2.99Å; L67-S124 PolarHBondContact O-N 2.89Å; L67-S124 PolarHBondContact O-OG 3.44Å; L67-S124 VanDerWaalsContact O-OG 3.05Å; S124-P126 WeakPolarHBondContact O-CD 3.43Å
125N84.9Confident88.5Confident14 Ų1459.9 Ų59.98%0.07531%0.313CS..  trans-89.7114.9-179.8-168.3-56.2000109.8W60 R127 T128 G129 Q130W60-N125 HydrophobicContact CZ2-CB 3.68Å; N125-R127 PolarHBondContact O-N 3.13Å; N125-R127 VanDerWaalsContact O-N 3.16Å; N125-R127 PolarHBondContact OD1-N 3.27Å; N125-T128 VanDerWaalsContact CB-OG1 3.24Å; N125-T128 WeakPolarHBondContact CB-OG1 3.4Å; N125-T128 PolarHBondContact OD1-N 3.19Å; N125-T128 PolarHBondContact OD1-OG1 3.49Å; N125-G129 WeakPolarHBondContact O-CA 3.43Å; N125-G129 PolarHBondContact O-N 3.31Å; N125-Q130 WeakPolarHBondContact CB-O 3.43Å; N125-Q130 PolarHBondContact N-O 3.31Å
126P81.1Confident89Confident102 Ų10252 Ų5266%0.66228%0.283SS*.THydrogen-bonded Turntrans-68.8-15.4-17628-35.5000113.9P65 S124P65-P126 WeakPolarHBondContact O-CD 3.49Å; S124-P126 WeakPolarHBondContact O-CD 3.43Å
127R82Confident89.1Confident156 Ų15655.2 Ų55.259%0.58930%0.303SS*.THydrogen-bonded Turntrans-97.4-37.8179.4-173.2-177.666.5-156.8-8.7113D61 N125D61-R127 IonicContact OD2-CZ 2.67Å; D61-R127 IonicContact OD2-NH1 3.54Å; D61-R127 PolarHBondContact OD2-NH1 3.31Å; D61-R127 IonicContact OD2-NH2 2.66Å; D61-R127 PolarHBondContact OD2-NH2 3.38Å; N125-R127 PolarHBondContact O-N 3.13Å; N125-R127 VanDerWaalsContact O-N 3.16Å; N125-R127 PolarHBondContact OD1-N 3.27Å
128T82.2Confident89.2Confident71 Ų7149.1 Ų49.144%0.43628%0.277SS..THydrogen-bonded Turntrans-104.6-12.2-175.4670000114N125 Q130N125-T128 VanDerWaalsContact CB-OG1 3.24Å; N125-T128 WeakPolarHBondContact CB-OG1 3.4Å; N125-T128 PolarHBondContact OD1-N 3.19Å; N125-T128 PolarHBondContact OD1-OG1 3.49Å; T128-Q130 PolarHBondContact O-N 3.22Å; T128-Q130 VanDerWaalsContact O-N 3.13Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; T128-Q130 PolarHBondContact OG1-OE1 3.32Å
129G80.4Confident89Confident65 Ų6548.3 Ų48.367%0.6728%0.275SS*.  trans70.7-4.3-174.800000114.7N125N125-G129 WeakPolarHBondContact O-CA 3.43Å; N125-G129 PolarHBondContact O-N 3.31Å
130Q84.4Confident88.9Confident111 Ų11148.6 Ų48.652%0.51928%0.277SS..  trans-65.2139.4176.6-69.8175.7-33.700110.8N125 T128 Y132N125-Q130 WeakPolarHBondContact CB-O 3.43Å; N125-Q130 PolarHBondContact N-O 3.31Å; T128-Q130 PolarHBondContact O-N 3.22Å; T128-Q130 VanDerWaalsContact O-N 3.13Å; T128-Q130 PolarHBondContact OG1-N 3.34Å; T128-Q130 PolarHBondContact OG1-OE1 3.32Å; Q130-Y132 HydrophobicContact CB-CE2 4.4Å
131S87.3Confident88.7Confident74 Ų7450 Ų5052%0.51728%0.283SS..EExtended strand (participates in β ladder)trans-133.3150.7175.559.50000112.1A123A123-S131 CarbonylContact O-C 3.59Å; A123-S131 WeakPolarHBondContact O-CA 3.5Å; A123-S131 WeakPolarHBondContact O-CB 3.11Å
132Y88.5Confident88.5Confident77 Ų7750.5 Ų50.530%0.30229%0.285SS..EExtended strand (participates in β ladder)trans-131.5148176.4-59.5-94.3000108.5P31 L33 W60 V122 A123 Q130P31-Y132 HydrophobicContact CG-CD1 3.84Å; P31-Y132 HydrophobicContact CG-CD2 3.66Å; P31-Y132 HydrophobicContact CG-CE1 3.56Å; P31-Y132 HydrophobicContact CG-CE2 3.37Å; P31-Y132 HydrophobicContact CG-CG 3.89Å; L33-Y132 VanDerWaalsContact CD2-O 3.31Å; L33-Y132 WeakPolarHBondContact CD2-O 3.09Å; W60-Y132 AromaticContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CD2 3.67Å; W60-Y132 HydrophobicContact CH2-CE2 4.1Å; W60-Y132 AromaticContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CD2 3.58Å; W60-Y132 HydrophobicContact CZ3-CE2 4.05Å; V122-Y132 WeakPolarHBondContact CA-O 3.29Å; A123-Y132 PolarHBondContact N-O 2.92Å; A123-Y132 PolarHBondContact O-N 3.09Å; Q130-Y132 HydrophobicContact CB-CE2 4.4Å
133N91.4Very high88.6Confident90 Ų9054 Ų5448%0.48130%0.299SS..EExtended strand (participates in β ladder)trans-121.5151.6-176.660.4-12.2000112.5V120 C121 V122V120-N133 HydrophobicContact CG1-CB 4Å; C121-N133 WeakPolarHBondContact O-CA 3.47Å; V122-N133 HydrophobicContact CG2-CB 4.46Å
134A92.2Very high88.6Confident1 Ų154.2 Ų54.21%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-128.8137.2165.800000107.5L33 I35 Q39 V120 C121L33-A134 HydrophobicContact CB-CB 4.22Å; L33-A134 HydrophobicContact CD2-CB 4.21Å; L33-A134 HydrophobicContact CG-CB 4Å; I35-A134 HydrophobicContact CD1-CB 4.03Å; I35-A134 VanDerWaalsContact CD1-O 3.29Å; I35-A134 WeakPolarHBondContact CD1-O 3.29Å; I35-A134 HydrophobicContact CG1-CB 3.9Å; Q39-A134 CarbonylContact O-C 3.55Å; Q39-A134 VanDerWaalsContact O-CA 3.3Å; Q39-A134 WeakPolarHBondContact O-CA 3.41Å; V120-A134 WeakPolarHBondContact CA-O 3.49Å; C121-A134 PolarHBondContact N-O 3.36Å; C121-A134 PolarHBondContact O-N 2.64Å
135T93.6Very high88.6Confident22 Ų2255.8 Ų55.814%0.13530%0.304CS..EExtended strand (participates in β ladder)trans-124.7142.8-171.565.90000111.9Q39 Q40 A41 V120Q39-T135 PolarHBondContact O-N 2.81Å; Q40-T135 WeakPolarHBondContact CA-O 3.48Å; A41-T135 PolarHBondContact N-O 3.17Å; A41-T135 VanDerWaalsContact N-O 3.11Å; V120-T135 HydrophobicContact CG1-CG2 4.12Å; V120-T135 HydrophobicContact CG2-CG2 3.96Å
136V94.6Very high88.7Confident2 Ų256.7 Ų56.71%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-125.9116.6171.1-1760000109.1I35 A41 V43 F53 E118 L119 L138I35-V136 HydrophobicContact CB-CG2 3.83Å; I35-V136 HydrophobicContact CD1-CG2 3.8Å; I35-V136 HydrophobicContact CG1-CG2 4.44Å; I35-V136 HydrophobicContact CG2-CG2 3.62Å; A41-V136 HydrophobicContact CB-CG1 4.47Å; A41-V136 HydrophobicContact CB-CG2 4.35Å; A41-V136 CarbonylContact O-C 3.58Å; A41-V136 WeakPolarHBondContact O-CA 3.3Å; V43-V136 HydrophobicContact CB-CG1 4.05Å; V43-V136 HydrophobicContact CG2-CG1 3.67Å; F53-V136 HydrophobicContact CE1-CG1 4.03Å; E118-V136 WeakPolarHBondContact CA-O 3.34Å; L119-V136 HydrophobicContact CB-CB 4.5Å; L119-V136 PolarHBondContact N-O 3.1Å; L119-V136 PolarHBondContact O-N 2.89Å; V136-L138 HydrophobicContact CG1-CD2 4.14Å
137T92.6Very high88.8Confident80 Ų8056.2 Ų56.249%0.49130%0.3SS..EExtended strand (participates in β ladder)trans-73.3124.7168.9-50.90000109.2A41 A42 V43A41-T137 PolarHBondContact O-N 3.36Å; A42-T137 WeakPolarHBondContact CA-O 3.45Å; V43-T137 PolarHBondContact N-O 3.44Å
138L91.6Very high88.8Confident10 Ų1056 Ų565%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-99.1120.3-178.1-60175.7000109.9L45 F53 L72 L110 D116 K117 L119 V136 V140L45-L138 HydrophobicContact CD1-CD2 4.18Å; F53-L138 HydrophobicContact CE2-CD2 4.44Å; F53-L138 HydrophobicContact CZ-CD2 3.76Å; L72-L138 HydrophobicContact CD1-CD1 3.89Å; L110-L138 HydrophobicContact CD2-CD1 3.47Å; L110-L138 VanDerWaalsContact CD2-CD1 3.47Å; L110-L138 HydrophobicContact CD2-CD2 4.28Å; D116-L138 HydrophobicContact CB-CD1 3.78Å; K117-L138 PolarHBondContact O-N 2.98Å; L119-L138 HydrophobicContact CB-CD1 4.22Å; V136-L138 HydrophobicContact CG1-CD2 4.14Å; L138-V140 HydrophobicContact CB-CG2 4.43Å
139N90.6Very high88.8Confident59 Ų5953.8 Ų53.832%0.31629%0.285SS..EExtended strand (participates in β ladder)trans-103.988171.6177.429.8000109.2V43 T44 L45 Q141 N172V43-N139 PolarHBondContact O-N 3.42Å; T44-N139 WeakPolarHBondContact CA-O 3.23Å; T44-N139 PolarHBondContact OG1-ND2 3.19Å; T44-N139 VanDerWaalsContact OG1-ND2 3.16Å; L45-N139 PolarHBondContact N-O 3.27Å; N139-Q141 PolarHBondContact O-N 3.46Å; N139-N172 PolarHBondContact OD1-ND2 3.46Å
140V91.8Very high88.7Confident6 Ų652.5 Ų52.54%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-85.7114.3-178.2-172.80000111.2L45 E47 A112 R113 D116 L138 F142 N172L45-V140 CarbonylContact O-C 3.6Å; L45-V140 VanDerWaalsContact O-CA 3.31Å; L45-V140 WeakPolarHBondContact O-CA 3.39Å; E47-V140 HydrophobicContact CB-CG1 4.27Å; A112-V140 HydrophobicContact CB-CG1 4.08Å; A112-V140 HydrophobicContact CB-CG2 4.09Å; R113-V140 WeakPolarHBondContact O-CG1 3.41Å; R113-V140 WeakPolarHBondContact O-CG2 3.34Å; D116-V140 HydrophobicContact CB-CG2 4.16Å; L138-V140 HydrophobicContact CB-CG2 4.43Å; V140-F142 WeakPolarHBondContact O-CD1 3.48Å; V140-N172 PolarHBondContact O-ND2 3.16Å
141Q90.6Very high88.4Confident47 Ų4747.2 Ų47.222%0.2224%0.239CC..EExtended strand (participates in β ladder)trans-89.3135.1178.2-64.7-169.8-0.600111.9T44 L45 Q46 E47 N139 N172 P173 V228T44-Q141 HydrophobicContact CG2-CG 3.88Å; T44-Q141 VanDerWaalsContact CG2-NE2 3.28Å; L45-Q141 PolarHBondContact O-N 2.71Å; Q46-Q141 CarbonylContact C-O 3.55Å; Q46-Q141 WeakPolarHBondContact CA-O 3.32Å; E47-Q141 PolarHBondContact N-O 3.38Å; N139-Q141 PolarHBondContact O-N 3.46Å; Q141-N172 CarbonylContact C-O 3.44Å; Q141-N172 WeakPolarHBondContact CA-O 3.48Å; Q141-P173 HydrophobicContact CG-CG 4.13Å; Q141-V228 HydrophobicContact CB-CG2 3.98Å
142F90.3Very high87.7Confident10 Ų1048.6 Ų48.64%0.04424%0.237CC..EExtended strand (participates in β ladder)trans-143.3155.2-179.955.7-85.6000111.1E47 K114 V140 R170 N172 N226E47-F142 HydrophobicContact CB-CB 4.02Å; E47-F142 VanDerWaalsContact OE2-CB 3.3Å; E47-F142 WeakPolarHBondContact OE2-CB 3.5Å; K114-F142 HydrophobicContact CB-CD1 3.9Å; K114-F142 HydrophobicContact CB-CE1 4.03Å; K114-F142 HydrophobicContact CB-CG 4.3Å; K114-F142 HydrophobicContact CD-CB 4.36Å; K114-F142 HydrophobicContact CD-CD1 4.39Å; K114-F142 HydrophobicContact CD-CD2 3.83Å; K114-F142 HydrophobicContact CD-CE2 4.23Å; K114-F142 HydrophobicContact CD-CG 3.96Å; K114-F142 HydrophobicContact CG-CB 4.06Å; K114-F142 HydrophobicContact CG-CD1 3.91Å; K114-F142 HydrophobicContact CG-CD2 4.22Å; K114-F142 HydrophobicContact CG-CE1 4.43Å; K114-F142 HydrophobicContact CG-CG 3.81Å; V140-F142 WeakPolarHBondContact O-CD1 3.48Å; F142-R170 HydrophobicContact CE2-CG 4.1Å; F142-R170 HydrophobicContact CZ-CG 4.16Å; F142-N172 HydrophobicContact CD1-CB 3.97Å; F142-N172 HydrophobicContact CE1-CB 3.53Å; F142-N172 HydrophobicContact CZ-CB 4.04Å; F142-N172 PolarHBondContact N-O 2.97Å; F142-N226 PolarHBondContact O-ND2 3.26Å
143Q92.6Very high86.8Confident104 Ų10448.8 Ų48.849%0.48624%0.238SC..EExtended strand (participates in β ladder)trans-62.215517563.3173.589.100111.4
144P90.6Very high85.4Confident3 Ų346.5 Ų46.52%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-63150-179.4-20.535000112.4V169 R170 A175 A224 N226 G229 A231P144-V169 HydrophobicContact CB-CG1 4.07Å; P144-R170 CarbonylContact C-O 3.57Å; P144-A175 HydrophobicContact CB-CB 4.09Å; P144-A175 HydrophobicContact CG-CB 3.76Å; P144-A224 HydrophobicContact CB-CB 3.85Å; P144-A224 HydrophobicContact CG-CB 4.46Å; P144-N226 WeakPolarHBondContact CD-OD1 3.43Å; P144-N226 HydrophobicContact CG-CB 4.14Å; P144-G229 WeakPolarHBondContact CD-O 3.48Å; P144-A231 HydrophobicContact CB-CB 4.41Å; P144-A231 VanDerWaalsContact O-CB 3.31Å; P144-A231 WeakPolarHBondContact O-CB 3.35Å
145E87.9Confident84Confident68 Ų6854.6 Ų54.632%0.31827%0.266SS..EExtended strand (participates in β ladder)trans-132111.5179.5-170.3177.8158.100108.4K114 L147 R170K114-E145 IonicContact NZ-OE2 3.46Å; K114-E145 PolarHBondContact NZ-OE2 3.5Å; E145-L147 HydrophobicContact CG-CD2 4.05Å; E145-L147 PolarHBondContact O-N 3.39Å; E145-R170 PolarHBondContact N-O 2.85Å; E145-R170 PolarHBondContact O-N 2.75Å; E145-R170 IonicContact OE2-NH1 2.79Å
146I85.8Confident82.4Confident33 Ų3355.2 Ų55.217%0.16927%0.27CS..EExtended strand (participates in β ladder)trans-84.2110.9-180-56.7173.9000107.9V149 V169 A224 A231I146-V149 HydrophobicContact CG2-CG2 3.6Å; I146-V169 HydrophobicContact CG1-CG2 4.16Å; I146-A224 HydrophobicContact CD1-CB 4.22Å; I146-A224 HydrophobicContact CG1-CB 4.13Å; I146-A231 HydrophobicContact CD1-CB 4.16Å; I146-A231 HydrophobicContact CG1-CB 4.08Å
147L84.5Confident80.5Confident91 Ų9160.8 Ų60.848%0.47631%0.309SS..EExtended strand (participates in β ladder)trans-89.7-34.1-175.2-61.7178.3000112.5E145 L168 R170E145-L147 HydrophobicContact CG-CD2 4.05Å; E145-L147 PolarHBondContact O-N 3.39Å; L147-L168 HydrophobicContact CB-CB 4.48Å; L147-L168 HydrophobicContact CB-CD2 4.04Å; L147-L168 HydrophobicContact CB-CG 4.15Å; L147-L168 HydrophobicContact CD1-CD2 4.16Å; L147-L168 HydrophobicContact CD1-CG 4.28Å; L147-L168 PolarHBondContact N-O 3.42Å; L147-R170 HydrophobicContact CD1-CB 4.1Å; L147-R170 HydrophobicContact CG-CB 4.49Å
148R82.3Confident78.8Confident151 Ų15162.1 Ų62.157%0.5731%0.313SS*.EExtended strand (participates in β ladder)trans-157.3141178.6-171172.3-177.8-179.80.5110.6F166 L168R148-F166 HydrophobicContact CB-CE1 4.34Å; R148-F166 HydrophobicContact CG-CE1 4.31Å; R148-L168 HydrophobicContact CB-CB 4.21Å; R148-L168 PolarHBondContact N-O 3.39Å; R148-L168 PolarHBondContact O-N 3.19Å
149V82.1Confident77.1Confident25 Ų2568.5 Ų68.515%0.15236%0.356CS..EExtended strand (participates in β ladder)trans-124142.7165-173.60000107.7I146 F166 V222 L235I146-V149 HydrophobicContact CG2-CG2 3.6Å; V149-F166 CarbonylContact C-O 3.53Å; V149-F166 VanDerWaalsContact CA-O 3.29Å; V149-F166 WeakPolarHBondContact CA-O 3.27Å; V149-V222 HydrophobicContact CG1-CG2 3.65Å; V149-V222 HydrophobicContact CG2-CB 4.36Å; V149-V222 HydrophobicContact CG2-CG2 4.07Å; V149-L235 HydrophobicContact CG1-CB 4Å; V149-L235 HydrophobicContact CG1-CD1 4.12Å; V149-L235 HydrophobicContact CG1-CD2 3.93Å; V149-L235 HydrophobicContact CG1-CG 4.24Å
150N77.5Confident75.4Confident38 Ų3867.6 Ų67.620%0.20336%0.36CS..EExtended strand (participates in β ladder)trans-151.7163.9172.8-155.410.7000112.2H152 F166N150-H152 PolarHBondContact ND2-CE1 2.69Å; N150-H152 PolarHBondContact ND2-NE2 3Å; N150-F166 HydrophobicContact CB-CD1 4.33Å; N150-F166 PolarHBondContact N-O 3.42Å; N150-F166 PolarHBondContact O-N 3.32Å
151A78.2Confident74Confident1 Ų171.9 Ų71.91%0.00838%0.382CS..EExtended strand (participates in β ladder)trans-127.3142.6172.400000110.4L163 V164 L165 L235 L237 F240A151-L163 HydrophobicContact CB-CD1 4.05Å; A151-V164 WeakPolarHBondContact CA-O 3.33Å; A151-L165 HydrophobicContact CB-CD2 4.21Å; A151-L235 HydrophobicContact CB-CD2 4.16Å; A151-L237 HydrophobicContact CB-CD2 3.77Å; A151-F240 HydrophobicContact CB-CE2 4.42Å
152H73.1Confident72.8Confident102 Ų10269.8 Ų69.847%0.47237%0.373SS..EExtended strand (participates in β ladder)trans-138142.8171.2-56.988.7000110N150 V164N150-H152 PolarHBondContact ND2-CE1 2.69Å; N150-H152 PolarHBondContact ND2-NE2 3Å; H152-V164 PolarHBondContact N-O 3.18Å; H152-V164 PolarHBondContact O-N 2.95Å
153Y69Low72Confident82 Ų8269.4 Ų69.432%0.32237%0.371SS..EExtended strand (participates in β ladder)trans-81.1141.3168-71.1-60.8000111.2S162 L163 L213 F240Y153-S162 WeakPolarHBondContact CA-O 3.45Å; Y153-L163 HydrophobicContact CD1-CD1 3.93Å; Y153-L163 HydrophobicContact CE1-CD1 3.79Å; Y153-L213 HydrophobicContact CE1-CD2 4.4Å; Y153-F240 HydrophobicContact CD2-CD1 4.05Å; Y153-F240 HydrophobicContact CE2-CB 3.63Å; Y153-F240 AromaticContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CG 4.12Å; Y153-F240 PolarHBondContact OH-O 3.12Å
154S61.9Low71.1Confident42 Ų4265.9 Ų65.929%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-120.9116163.6157.40000106.8S162 R210S154-S162 PolarHBondContact N-O 3.04Å; S154-S162 PolarHBondContact O-N 2.79Å; S154-R210 PolarHBondContact OG-NH2 2.87Å; S154-R210 VanDerWaalsContact OG-NH2 3.16Å
155E62.6Low70.4Confident170 Ų17065.8 Ų65.879%0.79436%0.356SS*.EExtended strand (participates in β ladder)trans-66.7134.1162.4-164.6162-147.100107.6
156T60.6Low69.8Low35 Ų3564.3 Ų64.322%0.21535%0.348CS..  trans-103.7162-179.7-25.70000109D158 G160 S162 R210T156-D158 PolarHBondContact O-N 2.77Å; T156-G160 PolarHBondContact OG1-O 2.8Å; T156-G160 VanDerWaalsContact OG1-O 3.08Å; T156-S162 PolarHBondContact OG1-OG 2.84Å; T156-R210 VanDerWaalsContact CG2-NH2 3.33Å; T156-R210 PolarHBondContact OG1-NH2 2.79Å
157S54.5Low69.5Low120 Ų12062.8 Ų62.884%0.83934%0.341SS*.SBendtrans-58.8-32.3165.147.20000112.3
158D56.8Low69.3Low107 Ų10761 Ų6157%0.57233%0.332SS*.SBendtrans-74.8146.6173.4-48.3-46000110.7T156 G160T156-D158 PolarHBondContact O-N 2.77Å; D158-G160 VanDerWaalsContact C-N 3.29Å; D158-G160 PolarHBondContact O-N 2.78Å
159P55.9Low69.2Low145 Ų14554.5 Ų54.594%0.94231%0.308SS*.SBendtrans-66.384.9176.527.9-35.1000111.5
160G55.6Low69.3Low39 Ų3955.2 Ų55.240%0.40231%0.308SS..SBendtrans179.1130.5-178.300000113.9T156 D158T156-G160 PolarHBondContact OG1-O 2.8Å; T156-G160 VanDerWaalsContact OG1-O 3.08Å; D158-G160 VanDerWaalsContact C-N 3.29Å; D158-G160 PolarHBondContact O-N 2.78Å
161L60.6Low69.7Low96 Ų9654.4 Ų54.450%0.50331%0.306SS..EExtended strand (participates in β ladder)trans-71.8127.1169.3-68171.2000109.9
162S67.1Low70Confident4 Ų456.5 Ų56.53%0.02832%0.317CS..EExtended strand (participates in β ladder)trans-110.3137.8173.7-64.80000111.1Y153 S154 T156 R210Y153-S162 WeakPolarHBondContact CA-O 3.45Å; S154-S162 PolarHBondContact N-O 3.04Å; S154-S162 PolarHBondContact O-N 2.79Å; T156-S162 PolarHBondContact OG1-OG 2.84Å; S162-R210 PolarHBondContact OG-NH1 2.79Å; S162-R210 PolarHBondContact OG-NH2 3.31Å
163L71.9Confident70.6Confident1 Ų153 Ų531%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-99.6123.1178.4-171.366000109.4A151 Y153 L165 V211 L213 L216 L237A151-L163 HydrophobicContact CB-CD1 4.05Å; Y153-L163 HydrophobicContact CD1-CD1 3.93Å; Y153-L163 HydrophobicContact CE1-CD1 3.79Å; L163-L165 HydrophobicContact CD2-CD2 3.89Å; L163-L165 HydrophobicContact CD2-CG 4.37Å; L163-L165 HydrophobicContact CG-CD2 4.14Å; L163-L165 HydrophobicContact CG-CG 4.4Å; L163-V211 PolarHBondContact N-O 3.33Å; L163-V211 PolarHBondContact O-N 3.42Å; L163-L213 HydrophobicContact CB-CD1 4.13Å; L163-L213 HydrophobicContact CD2-CD1 4.1Å; L163-L216 HydrophobicContact CD2-CD1 4.35Å; L163-L237 HydrophobicContact CD2-CD1 4.07Å; L163-L237 HydrophobicContact CD2-CD2 4.14Å
164V74.5Confident71.3Confident31 Ų3153 Ų5319%0.18831%0.314CS..EExtended strand (participates in β ladder)trans-99.4110172.1-175.50000108.5A151 H152 T208 L209 R210A151-V164 WeakPolarHBondContact CA-O 3.33Å; H152-V164 PolarHBondContact N-O 3.18Å; H152-V164 PolarHBondContact O-N 2.95Å; V164-T208 HydrophobicContact CG1-CG2 4.09Å; V164-L209 CarbonylContact C-O 3.57Å; V164-L209 WeakPolarHBondContact CA-O 3.34Å; V164-R210 HydrophobicContact CG2-CG 4.4Å
165L76.3Confident72.4Confident1 Ų151.4 Ų51.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-89.3135.2174.2-62.3172.1000109.3A151 L163 F179 T208 L209 V211 L220 L235A151-L165 HydrophobicContact CB-CD2 4.21Å; L163-L165 HydrophobicContact CD2-CD2 3.89Å; L163-L165 HydrophobicContact CD2-CG 4.37Å; L163-L165 HydrophobicContact CG-CD2 4.14Å; L163-L165 HydrophobicContact CG-CG 4.4Å; L165-F179 HydrophobicContact CB-CE1 4.01Å; L165-F179 HydrophobicContact CB-CZ 4.21Å; L165-F179 HydrophobicContact CD1-CD1 3.95Å; L165-F179 HydrophobicContact CD1-CE1 4.27Å; L165-F179 HydrophobicContact CD1-CG 4.24Å; L165-T208 WeakPolarHBondContact O-CA 3.29Å; L165-L209 HydrophobicContact CB-CB 4.37Å; L165-L209 HydrophobicContact CB-CD2 4.49Å; L165-L209 HydrophobicContact CD1-CD2 4Å; L165-L209 PolarHBondContact N-O 3.44Å; L165-L209 PolarHBondContact O-N 2.86Å; L165-V211 HydrophobicContact CD1-CG2 3.87Å; L165-L220 HydrophobicContact CD1-CD2 3.55Å; L165-L220 HydrophobicContact CD2-CD2 3.77Å; L165-L220 HydrophobicContact CG-CD2 4.31Å; L165-L235 HydrophobicContact CD2-CD2 3.74Å
166F76.1Confident73.4Confident36 Ų3646 Ų4616%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-124.5130.4178.8170.9-102.2000109.8R148 V149 N150 L168 N206R148-F166 HydrophobicContact CB-CE1 4.34Å; R148-F166 HydrophobicContact CG-CE1 4.31Å; V149-F166 CarbonylContact C-O 3.53Å; V149-F166 VanDerWaalsContact CA-O 3.29Å; V149-F166 WeakPolarHBondContact CA-O 3.27Å; N150-F166 HydrophobicContact CB-CD1 4.33Å; N150-F166 PolarHBondContact N-O 3.42Å; N150-F166 PolarHBondContact O-N 3.32Å; F166-L168 HydrophobicContact CE1-CB 3.95Å; F166-L168 HydrophobicContact CZ-CB 3.77Å; F166-N206 WeakPolarHBondContact CD2-OD1 3.2Å; F166-N206 HydrophobicContact CE2-CB 4.06Å; F166-N206 WeakPolarHBondContact CE2-OD1 3.42Å
167A78.6Confident74.5Confident1 Ų144.6 Ų44.61%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-132.5121.7170.100000110.2V169 I177 F179 V222A167-V169 HydrophobicContact CB-CG2 4.2Å; A167-I177 HydrophobicContact CB-CG2 4.46Å; A167-F179 HydrophobicContact CB-CZ 3.99Å; A167-V222 HydrophobicContact CB-CG1 4.13Å
168L81Confident76Confident55 Ų5540.2 Ų40.229%0.28824%0.24SC..EExtended strand (participates in β ladder)trans-95.2107.3169.3-176.462.9000108.5L147 R148 F166L147-L168 HydrophobicContact CB-CB 4.48Å; L147-L168 HydrophobicContact CB-CD2 4.04Å; L147-L168 HydrophobicContact CB-CG 4.15Å; L147-L168 HydrophobicContact CD1-CD2 4.16Å; L147-L168 HydrophobicContact CD1-CG 4.28Å; L147-L168 PolarHBondContact N-O 3.42Å; R148-L168 HydrophobicContact CB-CB 4.21Å; R148-L168 PolarHBondContact N-O 3.39Å; R148-L168 PolarHBondContact O-N 3.19Å; F166-L168 HydrophobicContact CE1-CB 3.95Å; F166-L168 HydrophobicContact CZ-CB 3.77Å
169V80.3Confident77.4Confident13 Ų1335.2 Ų35.28%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-121.7127.8-177.4-176.30000109.3P144 I146 A167 I177 A224P144-V169 HydrophobicContact CB-CG1 4.07Å; I146-V169 HydrophobicContact CG1-CG2 4.16Å; A167-V169 HydrophobicContact CB-CG2 4.2Å; V169-I177 HydrophobicContact CB-CD1 3.92Å; V169-I177 HydrophobicContact CB-CG1 4.45Å; V169-I177 HydrophobicContact CG2-CD1 3.61Å; V169-I177 HydrophobicContact CG2-CG1 4.07Å; V169-A224 HydrophobicContact CG1-CB 3.68Å; V169-A224 HydrophobicContact CG2-CB 4.31Å
170R83.8Confident78.8Confident40 Ų4029.5 Ų29.515%0.15118%0.176CC..EExtended strand (participates in β ladder)trans-105.7124.2176-175.8176160.9-122.1-10.1109.7W115 F142 P144 E145 L147W115-R170 VanDerWaalsContact CE3-NH2 3.32Å; W115-R170 VanDerWaalsContact CH2-NH2 3.29Å; W115-R170 VanDerWaalsContact CZ3-NH2 3.34Å; F142-R170 HydrophobicContact CE2-CG 4.1Å; F142-R170 HydrophobicContact CZ-CG 4.16Å; P144-R170 CarbonylContact C-O 3.57Å; E145-R170 PolarHBondContact N-O 2.85Å; E145-R170 PolarHBondContact O-N 2.75Å; E145-R170 IonicContact OE2-NH1 2.79Å; L147-R170 HydrophobicContact CD1-CB 4.1Å; L147-R170 HydrophobicContact CG-CB 4.49Å
171S85.3Confident80Confident22 Ų2229.1 Ų29.115%0.15417%0.165CC..EExtended strand (participates in β ladder)trans-152.7154.1-177.358.40000111.7P173 A175S171-P173 CarbonylContact C-O 3.56Å; S171-P173 WeakPolarHBondContact CB-O 3.31Å; S171-P173 PolarHBondContact OG-O 3.2Å; S171-A175 WeakPolarHBondContact OG-CB 3.29Å; S171-A175 PolarHBondContact OG-N 3.08Å; S171-A175 VanDerWaalsContact OG-N 3.1Å
172N83.7Confident81Confident45 Ų4530.8 Ų30.824%0.24117%0.17CC..EExtended strand (participates in β ladder)trans-148.4119.5161.9-175.823.7000108.3N139 V140 Q141 F142N139-N172 PolarHBondContact OD1-ND2 3.46Å; V140-N172 PolarHBondContact O-ND2 3.16Å; Q141-N172 CarbonylContact C-O 3.44Å; Q141-N172 WeakPolarHBondContact CA-O 3.48Å; F142-N172 HydrophobicContact CD1-CB 3.97Å; F142-N172 HydrophobicContact CE1-CB 3.53Å; F142-N172 HydrophobicContact CZ-CB 4.04Å; F142-N172 PolarHBondContact N-O 2.97Å
173P86.4Confident81.6Confident27 Ų2734.9 Ų34.918%0.17520%0.199CC..SBendcis-61.7168.7-1.8-2236.7000112.9Q141 S171 N226Q141-P173 HydrophobicContact CG-CG 4.13Å; S171-P173 CarbonylContact C-O 3.56Å; S171-P173 WeakPolarHBondContact CB-O 3.31Å; S171-P173 PolarHBondContact OG-O 3.2Å; P173-N226 PolarHBondContact O-ND2 2.89Å
174P84.1Confident82Confident84 Ų8437.6 Ų37.655%0.54523%0.227SC..PPolyproline II helixtrans-49.7139.5174.6-27.135.5000112.2I195P174-I195 HydrophobicContact CB-CD1 3.89Å; P174-I195 HydrophobicContact CB-CG2 4.43Å
175A84Confident82.3Confident8 Ų842.6 Ų42.67%0.06625%0.248CC..PPolyproline II helixtrans-101141.2-178.100000112.3P144 S171 T225 N226P144-A175 HydrophobicContact CB-CB 4.09Å; P144-A175 HydrophobicContact CG-CB 3.76Å; S171-A175 WeakPolarHBondContact OG-CB 3.29Å; S171-A175 PolarHBondContact OG-N 3.08Å; S171-A175 VanDerWaalsContact OG-N 3.1Å; A175-T225 CarbonylContact C-O 3.53Å; A175-T225 WeakPolarHBondContact CA-O 3.49Å; A175-T225 WeakPolarHBondContact CB-O 3.34Å; A175-N226 HydrophobicContact CB-CB 4.23Å
176T84.3Confident82.5Confident55 Ų5547.2 Ų47.234%0.33727%0.272SS..EExtended strand (participates in β ladder)trans-77.2128.5165.7-58.80000108.6T178 N189 A224 T225T176-T178 HydrophobicContact CG2-CG2 4.33Å; T176-N189 WeakPolarHBondContact CG2-OD1 3.32Å; T176-A224 WeakPolarHBondContact O-CA 3.42Å; T176-T225 PolarHBondContact N-O 3.06Å; T176-T225 PolarHBondContact O-N 3.22Å; T176-T225 PolarHBondContact O-OG1 2.87Å
177I84.5Confident82.5Confident6 Ų647.1 Ų47.13%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-110.5127.4178.7-50.1165.3000108.5A167 V169 F179 T190 V222 N223 A224A167-I177 HydrophobicContact CB-CG2 4.46Å; V169-I177 HydrophobicContact CB-CD1 3.92Å; V169-I177 HydrophobicContact CB-CG1 4.45Å; V169-I177 HydrophobicContact CG2-CD1 3.61Å; V169-I177 HydrophobicContact CG2-CG1 4.07Å; I177-F179 HydrophobicContact CG2-CE2 4.14Å; I177-F179 HydrophobicContact CG2-CZ 4.44Å; I177-T190 WeakPolarHBondContact CB-OG1 2.92Å; I177-T190 PolarHBondContact O-N 2.81Å; I177-T190 PolarHBondContact O-OG1 2.88Å; I177-V222 HydrophobicContact CG2-CG1 3.67Å; I177-N223 CarbonylContact C-O 3.54Å; I177-N223 WeakPolarHBondContact CA-O 3.36Å; I177-A224 HydrophobicContact CG1-CB 4.48Å
178T86.1Confident82.2Confident28 Ų2847.8 Ų47.817%0.17228%0.28CS..EExtended strand (participates in β ladder)trans-124.3142.9176.558.20000110.9T176 L186 A188 N189 V222 N223T176-T178 HydrophobicContact CG2-CG2 4.33Å; T178-L186 HydrophobicContact CG2-CD1 4.1Å; T178-A188 WeakPolarHBondContact CA-O 3.37Å; T178-N189 HydrophobicContact CG2-CB 4.15Å; T178-V222 WeakPolarHBondContact O-CA 3.13Å; T178-N223 PolarHBondContact N-O 3.06Å; T178-N223 PolarHBondContact O-N 3.3Å
179F84.4Confident81.9Confident3 Ų348 Ų481%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-109.8124.7176-66.8-92.2000108.2L165 A167 I177 V187 A188 T190 L209 L220 V222L165-F179 HydrophobicContact CB-CE1 4.01Å; L165-F179 HydrophobicContact CB-CZ 4.21Å; L165-F179 HydrophobicContact CD1-CD1 3.95Å; L165-F179 HydrophobicContact CD1-CE1 4.27Å; L165-F179 HydrophobicContact CD1-CG 4.24Å; A167-F179 HydrophobicContact CB-CZ 3.99Å; I177-F179 HydrophobicContact CG2-CE2 4.14Å; I177-F179 HydrophobicContact CG2-CZ 4.44Å; F179-V187 HydrophobicContact CB-CB 4.37Å; F179-V187 PolarHBondContact O-N 3.24Å; F179-A188 HydrophobicContact CB-CB 4.5Å; F179-A188 HydrophobicContact CD2-CB 4.43Å; F179-A188 PolarHBondContact N-O 3.33Å; F179-A188 PolarHBondContact O-N 3.48Å; F179-T190 HydrophobicContact CD2-CG2 4.32Å; F179-T190 HydrophobicContact CE2-CG2 4Å; F179-L209 HydrophobicContact CD2-CD2 3.53Å; F179-L209 HydrophobicContact CE2-CB 4.48Å; F179-L209 HydrophobicContact CE2-CD2 3.75Å; F179-L209 HydrophobicContact CG-CD2 4.17Å; F179-L220 HydrophobicContact CB-CD1 4.33Å; F179-L220 HydrophobicContact CB-CD2 4.19Å; F179-L220 HydrophobicContact CB-CG 4.41Å; F179-L220 HydrophobicContact CD1-CD2 3.62Å; F179-L220 HydrophobicContact CD1-CG 4.34Å; F179-L220 HydrophobicContact CE1-CD2 4.5Å; F179-L220 HydrophobicContact CG-CD2 4.34Å; F179-V222 HydrophobicContact CD1-CB 4.43Å; F179-V222 HydrophobicContact CD1-CG1 4.31Å; F179-V222 HydrophobicContact CD1-CG2 3.62Å; F179-V222 HydrophobicContact CE1-CB 4.34Å; F179-V222 HydrophobicContact CE1-CG1 3.96Å; F179-V222 HydrophobicContact CE1-CG2 3.5Å; F179-V222 VanDerWaalsContact CE1-CG2 3.5Å; F179-V222 HydrophobicContact CZ-CG1 4.24Å
180V86Confident81.3Confident25 Ų2547.7 Ų47.715%0.15228%0.28CS..EExtended strand (participates in β ladder)trans-128.2132.3-171.9-173.40000108.9G184 Q185 L220 T221V180-G184 WeakPolarHBondContact CG1-O 3.3Å; V180-Q185 WeakPolarHBondContact CA-O 3.48Å; V180-L220 WeakPolarHBondContact O-CD1 3.45Å; V180-T221 PolarHBondContact N-O 3.16Å; V180-T221 PolarHBondContact O-N 2.95Å
181D82.1Confident80Confident31 Ų3148.4 Ų48.417%0.16629%0.291CS..EExtended strand (participates in β ladder)trans-78.1175.917868.626.5000113.2S183 G184 Q185 V187D181-S183 PolarHBondContact O-N 3.04Å; D181-S183 VanDerWaalsContact O-N 3.16Å; D181-S183 VanDerWaalsContact OD1-CA 3.32Å; D181-S183 WeakPolarHBondContact OD1-CA 3.4Å; D181-S183 WeakPolarHBondContact OD1-CB 3.47Å; D181-S183 PolarHBondContact OD1-N 2.84Å; D181-S183 PolarHBondContact OD1-OG 2.94Å; D181-S183 PolarHBondContact OD2-OG 2.93Å; D181-G184 PolarHBondContact O-N 2.79Å; D181-G184 PolarHBondContact OD1-N 2.98Å; D181-G184 VanDerWaalsContact OD1-N 3.14Å; D181-Q185 PolarHBondContact N-O 3.44Å; D181-Q185 PolarHBondContact OD1-N 3.16Å; D181-V187 HydrophobicContact CB-CG2 3.8Å
182Q81Confident78.2Confident130 Ų13053.5 Ų53.561%0.60732%0.317SS*.THydrogen-bonded Turntrans-60.5-19.2178.270.2-163.7-3.900114.8S217 G218 N219Q182-S217 PolarHBondContact NE2-O 2.66Å; Q182-G218 VanDerWaalsContact OE1-CA 3.3Å; Q182-N219 PolarHBondContact N-O 3.19Å
183S80.4Confident76.5Confident91 Ų9156.8 Ų56.864%0.63633%0.329SS*.THydrogen-bonded Turntrans-87.6-4.3174.218.30000113D181 Q185D181-S183 PolarHBondContact O-N 3.04Å; D181-S183 VanDerWaalsContact O-N 3.16Å; D181-S183 VanDerWaalsContact OD1-CA 3.32Å; D181-S183 WeakPolarHBondContact OD1-CA 3.4Å; D181-S183 WeakPolarHBondContact OD1-CB 3.47Å; D181-S183 PolarHBondContact OD1-N 2.84Å; D181-S183 PolarHBondContact OD1-OG 2.94Å; D181-S183 PolarHBondContact OD2-OG 2.93Å; S183-Q185 VanDerWaalsContact C-N 3.32Å
184G78.3Confident74.5Confident57 Ų5762.2 Ų62.259%0.58836%0.356SS*.SBendtrans82.37.7-174.600000113.7V180 D181V180-G184 WeakPolarHBondContact CG1-O 3.3Å; D181-G184 PolarHBondContact O-N 2.79Å; D181-G184 PolarHBondContact OD1-N 2.98Å; D181-G184 VanDerWaalsContact OD1-N 3.14Å
185Q82.2Confident72.8Confident136 Ų13661.6 Ų61.664%0.63635%0.347SS*.  trans-82.7138.4178.8178.1172.8-13.200110.5V180 D181 S183 V187V180-Q185 WeakPolarHBondContact CA-O 3.48Å; D181-Q185 PolarHBondContact N-O 3.44Å; D181-Q185 PolarHBondContact OD1-N 3.16Å; S183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-V187 PolarHBondContact O-N 3.33Å
186L79.5Confident70.7Confident99 Ų9967 Ų6752%0.51837%0.374SS..EExtended strand (participates in β ladder)trans-69.3115.1177.9-175.772.9000109.9T178 A188 N189T178-L186 HydrophobicContact CG2-CD1 4.1Å; L186-A188 WeakPolarHBondContact CD1-O 3.33Å; L186-N189 HydrophobicContact CD1-CB 4.42Å; L186-N189 HydrophobicContact CD2-CB 4.15Å
187V76.4Confident68.8Low34 Ų3468 Ų6821%0.20638%0.377CS..EExtended strand (participates in β ladder)trans-83.3-39.4174.2179.60000110.2F179 D181 Q185 V211 L216 L220F179-V187 HydrophobicContact CB-CB 4.37Å; F179-V187 PolarHBondContact O-N 3.24Å; D181-V187 HydrophobicContact CB-CG2 3.8Å; Q185-V187 PolarHBondContact O-N 3.33Å; V187-V211 HydrophobicContact CG1-CG1 4.1Å; V187-V211 HydrophobicContact CG1-CG2 4.49Å; V187-L216 HydrophobicContact CB-CD2 4.47Å; V187-L216 HydrophobicContact CG1-CD1 3.99Å; V187-L216 HydrophobicContact CG1-CD2 3.86Å; V187-L216 HydrophobicContact CG1-CG 4.48Å; V187-L216 HydrophobicContact CG2-CD2 3.7Å; V187-L220 HydrophobicContact CB-CD1 4.16Å; V187-L220 HydrophobicContact CG1-CD1 4.49Å; V187-L220 HydrophobicContact CG2-CD1 3.67Å
188A73.4Confident66.8Low15 Ų1569.2 Ų69.212%0.12439%0.386CS..EExtended strand (participates in β ladder)trans-161.6150.7173.700000112.2T178 F179 L186 L209T178-A188 WeakPolarHBondContact CA-O 3.37Å; F179-A188 HydrophobicContact CB-CB 4.5Å; F179-A188 HydrophobicContact CD2-CB 4.43Å; F179-A188 PolarHBondContact N-O 3.33Å; F179-A188 PolarHBondContact O-N 3.48Å; L186-A188 WeakPolarHBondContact CD1-O 3.33Å; A188-L209 HydrophobicContact CB-CD1 3.95Å; A188-L209 HydrophobicContact CB-CD2 3.22Å; A188-L209 HydrophobicContact CB-CG 4.18Å
189N74.3Confident64.8Low58 Ų5878.5 Ų78.531%0.3142%0.418SS..EExtended strand (participates in β ladder)trans-117.2129.5166.2173.519.6000108T176 T178 L186 S191T176-N189 WeakPolarHBondContact CG2-OD1 3.32Å; T178-N189 HydrophobicContact CG2-CB 4.15Å; L186-N189 HydrophobicContact CD1-CB 4.42Å; L186-N189 HydrophobicContact CD2-CB 4.15Å; N189-S191 PolarHBondContact ND2-OG 3.18Å; N189-S191 PolarHBondContact OD1-N 2.86Å; N189-S191 VanDerWaalsContact OD1-N 3.09Å; N189-S191 PolarHBondContact OD1-OG 3.5Å
190T66.4Low63Low7 Ų783.1 Ų83.14%0.04345%0.451CS..  trans-10620.3-178.874.50000113.9I177 F179 D192 F193 L209I177-T190 WeakPolarHBondContact CB-OG1 2.92Å; I177-T190 PolarHBondContact O-N 2.81Å; I177-T190 PolarHBondContact O-OG1 2.88Å; F179-T190 HydrophobicContact CD2-CG2 4.32Å; F179-T190 HydrophobicContact CE2-CG2 4Å; T190-D192 PolarHBondContact O-N 2.89Å; T190-D192 VanDerWaalsContact O-N 3.1Å; T190-F193 HydrophobicContact CG2-CD2 4.13Å; T190-F193 PolarHBondContact O-N 2.82Å; T190-L209 HydrophobicContact CG2-CB 4.39Å; T190-L209 HydrophobicContact CG2-CD1 4.31Å; T190-L209 HydrophobicContact CG2-CD2 4.3Å
191S58.1Low61.2Low56 Ų5689.2 Ų89.239%0.39247%0.472SS..THydrogen-bonded Turntrans-51.3-27.4165.952.80000113.2N189N189-S191 PolarHBondContact ND2-OG 3.18Å; N189-S191 PolarHBondContact OD1-N 2.86Å; N189-S191 VanDerWaalsContact OD1-N 3.09Å; N189-S191 PolarHBondContact OD1-OG 3.5Å
192D46.8Very low59.2Low129 Ų12991.4 Ų91.469%0.6949%0.488SS*.THydrogen-bonded Turntrans-96.6-9-169.2-50.5-13000112.2T190 L194T190-D192 PolarHBondContact O-N 2.89Å; T190-D192 VanDerWaalsContact O-N 3.1Å; D192-L194 PolarHBondContact O-N 2.87Å
193F48.9Very low57.5Low113 Ų11394 Ų9450%0.49649%0.493SS..SBendtrans-91.582.8177.4-72.6-77.6000111.3T190 I195 L209T190-F193 HydrophobicContact CG2-CD2 4.13Å; T190-F193 PolarHBondContact O-N 2.82Å; F193-I195 PolarHBondContact O-N 2.77Å; F193-L209 HydrophobicContact CE2-CD1 3.84Å; F193-L209 HydrophobicContact CZ-CD1 4.33Å
194L42.8Very low55.8Low142 Ų14293 Ų9374%0.74348%0.479SS*.  trans1.295.7169.8-66.3176.5000116.6D192 L196D192-L194 PolarHBondContact O-N 2.87Å; L194-L196 HydrophobicContact CB-CD1 4.29Å; L194-L196 HydrophobicContact CD2-CD1 4.14Å; L194-L196 PolarHBondContact O-N 2.83Å
195I48.9Very low54.3Low71 Ų7191.7 Ų91.736%0.36446%0.461SS..  trans-80.2110.9162.9-54.2173.6000107.6P174 F193P174-I195 HydrophobicContact CB-CD1 3.89Å; P174-I195 HydrophobicContact CB-CG2 4.43Å; F193-I195 PolarHBondContact O-N 2.77Å
196L39.5Very low52.7Low120 Ų12090.2 Ų90.263%0.62846%0.457SS*.  trans-140.6144.4-176.9-104.8146.4000113.9L194 S198L194-L196 HydrophobicContact CB-CD1 4.29Å; L194-L196 HydrophobicContact CD2-CD1 4.14Å; L194-L196 PolarHBondContact O-N 2.83Å; L196-S198 PolarHBondContact O-N 3.5Å
197D44.7Very low51.3Low76 Ų7686.7 Ų86.741%0.40644%0.438SS..  trans-58.4121.2-171.7176.226.2000112.8R199 S200 Y201D197-R199 PolarHBondContact O-N 3.16Å; D197-R199 WeakPolarHBondContact OD1-CA 3.22Å; D197-R199 PolarHBondContact OD1-N 2.87Å; D197-S200 PolarHBondContact OD1-N 3.24Å; D197-S200 PolarHBondContact OD2-N 3.08Å; D197-Y201 HydrophobicContact CB-CE1 4.27Å
198S42.1Very low50.2Low32 Ų3289.1 Ų89.122%0.22445%0.453CS..  trans-83.538.9173.138.70000112.1L196L196-S198 PolarHBondContact O-N 3.5Å
199R44.8Very low49.4Very low223 Ų22388.9 Ų88.984%0.84245%0.449SS*.SBendtrans5880.1-179-51.1-176.1-165.3-157.53.3112.1D197D197-R199 PolarHBondContact O-N 3.16Å; D197-R199 WeakPolarHBondContact OD1-CA 3.22Å; D197-R199 PolarHBondContact OD1-N 2.87Å
200S46.3Very low48.6Very low100 Ų10091.7 Ų91.770%0.69946%0.456SS*.SBendtrans76.827.9174.9-44.30000116D197D197-S200 PolarHBondContact OD1-N 3.24Å; D197-S200 PolarHBondContact OD2-N 3.08Å
201Y48.9Very low48.2Very low154 Ų15492.4 Ų92.460%0.60446%0.46SS*.  trans68.367.3157.9-44.4-75.4000121D197 L204D197-Y201 HydrophobicContact CB-CE1 4.27Å; Y201-L204 HydrophobicContact CD1-CD2 4.38Å
202P39.5Very low48.2Very low77 Ų7794.6 Ų94.650%0.547%0.471SS..SBendtrans-111.4-7179.113.210.4000117.7
203W45.9Very low48.5Very low185 Ų18591.1 Ų91.170%0.70145%0.452SS*.SBendtrans-15714.5176.74876.6000116.7T205W203-T205 PolarHBondContact O-N 3.29Å; W203-T205 VanDerWaalsContact O-N 3.16Å
204L44.9Very low48.6Very low68 Ų6891.1 Ų91.136%0.35647%0.466SS..  trans15.581.7171.3-79.5159.2000116.9Y201Y201-L204 HydrophobicContact CD1-CD2 4.38Å
205T45.6Very low49Very low31 Ų3189.2 Ų89.219%0.1946%0.464CS..  trans54.297.9155.350.60000118.5W203 H207W203-T205 PolarHBondContact O-N 3.29Å; W203-T205 VanDerWaalsContact O-N 3.16Å; T205-H207 WeakPolarHBondContact CB-NE2 3.5Å; T205-H207 PolarHBondContact O-CD2 2.95Å; T205-H207 VanDerWaalsContact O-CD2 3.24Å; T205-H207 PolarHBondContact O-N 3.26Å; T205-H207 VanDerWaalsContact O-N 3.08Å; T205-H207 PolarHBondContact OG1-NE2 3.47Å
206N48.5Very low49.6Very low105 Ų10587.1 Ų87.156%0.56145%0.454SS*.  trans-61103.3152.7174.2-2.2000109.4F166 T208F166-N206 WeakPolarHBondContact CD2-OD1 3.2Å; F166-N206 HydrophobicContact CE2-CB 4.06Å; F166-N206 WeakPolarHBondContact CE2-OD1 3.42Å; N206-T208 PolarHBondContact O-N 2.84Å; N206-T208 VanDerWaalsContact OD1-CG2 3.29Å; N206-T208 WeakPolarHBondContact OD1-CG2 3.36Å; N206-T208 PolarHBondContact OD1-N 2.87Å
207H50.9Low50.5Low25 Ų2585.1 Ų85.112%0.11645%0.45CS..EExtended strand (participates in β ladder)trans-91.595.7169.6-65-74.2000109.5T205T205-H207 WeakPolarHBondContact CB-NE2 3.5Å; T205-H207 PolarHBondContact O-CD2 2.95Å; T205-H207 VanDerWaalsContact O-CD2 3.24Å; T205-H207 PolarHBondContact O-N 3.26Å; T205-H207 VanDerWaalsContact O-N 3.08Å; T205-H207 PolarHBondContact OG1-NE2 3.47Å
208T53.3Low51.7Low84 Ų8482.7 Ų82.752%0.51544%0.443SS..EExtended strand (participates in β ladder)trans-85.3117.7164.553.10000110V164 L165 N206V164-T208 HydrophobicContact CG1-CG2 4.09Å; L165-T208 WeakPolarHBondContact O-CA 3.29Å; N206-T208 PolarHBondContact O-N 2.84Å; N206-T208 VanDerWaalsContact OD1-CG2 3.29Å; N206-T208 WeakPolarHBondContact OD1-CG2 3.36Å; N206-T208 PolarHBondContact OD1-N 2.87Å
209L57.2Low53.5Low10 Ų1084.9 Ų84.95%0.05245%0.452CS..EExtended strand (participates in β ladder)trans-103.7125.3171.116973.1000108.9V164 L165 F179 A188 T190 F193 V211V164-L209 CarbonylContact C-O 3.57Å; V164-L209 WeakPolarHBondContact CA-O 3.34Å; L165-L209 HydrophobicContact CB-CB 4.37Å; L165-L209 HydrophobicContact CB-CD2 4.49Å; L165-L209 HydrophobicContact CD1-CD2 4Å; L165-L209 PolarHBondContact N-O 3.44Å; L165-L209 PolarHBondContact O-N 2.86Å; F179-L209 HydrophobicContact CD2-CD2 3.53Å; F179-L209 HydrophobicContact CE2-CB 4.48Å; F179-L209 HydrophobicContact CE2-CD2 3.75Å; F179-L209 HydrophobicContact CG-CD2 4.17Å; A188-L209 HydrophobicContact CB-CD1 3.95Å; A188-L209 HydrophobicContact CB-CD2 3.22Å; A188-L209 HydrophobicContact CB-CG 4.18Å; T190-L209 HydrophobicContact CG2-CB 4.39Å; T190-L209 HydrophobicContact CG2-CD1 4.31Å; T190-L209 HydrophobicContact CG2-CD2 4.3Å; F193-L209 HydrophobicContact CE2-CD1 3.84Å; F193-L209 HydrophobicContact CZ-CD1 4.33Å; L209-V211 HydrophobicContact CD1-CG2 4.43Å; L209-V211 HydrophobicContact CD2-CG2 3.75Å; L209-V211 HydrophobicContact CG-CG2 3.77Å
210R56.9Low55.4Low118 Ų11874.3 Ų74.345%0.44541%0.412SS..EExtended strand (participates in β ladder)trans-95.4123.9172.8-162.5178.2-156.4-110.3-1.2109.4S154 T156 S162 V164S154-R210 PolarHBondContact OG-NH2 2.87Å; S154-R210 VanDerWaalsContact OG-NH2 3.16Å; T156-R210 VanDerWaalsContact CG2-NH2 3.33Å; T156-R210 PolarHBondContact OG1-NH2 2.79Å; S162-R210 PolarHBondContact OG-NH1 2.79Å; S162-R210 PolarHBondContact OG-NH2 3.31Å; V164-R210 HydrophobicContact CG2-CG 4.4Å
211V58Low57.4Low21 Ų2171.3 Ų71.313%0.12739%0.39CS..EExtended strand (participates in β ladder)trans-121.8134.2177.2-169.50000109.3L163 L165 V187 L209 L216L163-V211 PolarHBondContact N-O 3.33Å; L163-V211 PolarHBondContact O-N 3.42Å; L165-V211 HydrophobicContact CD1-CG2 3.87Å; V187-V211 HydrophobicContact CG1-CG1 4.1Å; V187-V211 HydrophobicContact CG1-CG2 4.49Å; L209-V211 HydrophobicContact CD1-CG2 4.43Å; L209-V211 HydrophobicContact CD2-CG2 3.75Å; L209-V211 HydrophobicContact CG-CG2 3.77Å; V211-L216 HydrophobicContact CG1-CD1 3.92Å
212T56.7Low59.2Low102 Ų10264 Ų6463%0.62636%0.361SS*.EExtended strand (participates in β ladder)trans-78130.3174.745.90000110.1S214T212-S214 PolarHBondContact O-N 2.93Å
213L53.3Low61.6Low56 Ų5661.9 Ų61.929%0.29335%0.345SS..  trans-83.875.8-169.6-157.287.6000112Y153 L163 L216Y153-L213 HydrophobicContact CE1-CD2 4.4Å; L163-L213 HydrophobicContact CB-CD1 4.13Å; L163-L213 HydrophobicContact CD2-CD1 4.1Å; L213-L216 HydrophobicContact CD1-CB 4Å; L213-L216 HydrophobicContact CD1-CD1 4.38Å
214S51Low63.7Low113 Ų11353 Ų5379%0.7931%0.312SS*.SBendtrans-100.5-19.7178.557.30000115.3T212T212-S214 PolarHBondContact O-N 2.93Å
215S52.9Low65.9Low102 Ų10251.9 Ų51.971%0.71331%0.308SS*.SBendtrans-153.67.6-175.8-166.10000116.1S217S215-S217 PolarHBondContact O-N 3.14Å
216L60.9Low68Low27 Ų2751.7 Ų51.714%0.14131%0.305CS..  trans-87.788.1-171.3-70169.4000112.9L163 V187 V211 L213L163-L216 HydrophobicContact CD2-CD1 4.35Å; V187-L216 HydrophobicContact CB-CD2 4.47Å; V187-L216 HydrophobicContact CG1-CD1 3.99Å; V187-L216 HydrophobicContact CG1-CD2 3.86Å; V187-L216 HydrophobicContact CG1-CG 4.48Å; V187-L216 HydrophobicContact CG2-CD2 3.7Å; V211-L216 HydrophobicContact CG1-CD1 3.92Å; L213-L216 HydrophobicContact CD1-CB 4Å; L213-L216 HydrophobicContact CD1-CD1 4.38Å
217S57.8Low70Confident79 Ų7951.5 Ų51.555%0.55231%0.312SS*.  trans-118.887172.453.90000111.7Q182 S215Q182-S217 PolarHBondContact NE2-O 2.66Å; S215-S217 PolarHBondContact O-N 3.14Å
218G71.3Confident71.8Confident24 Ų2452.1 Ų52.125%0.24732%0.318CS..SBendtrans161.7-162.3177.100000116.1Q182 L237Q182-G218 VanDerWaalsContact OE1-CA 3.3Å; G218-L237 WeakPolarHBondContact O-CB 3.4Å
219N79.6Confident73.7Confident78 Ų7849.4 Ų49.442%0.41731%0.306SS..EExtended strand (participates in β ladder)trans-83.4139.2171.4-66.2-16.8000110Q182 L235 T236Q182-N219 PolarHBondContact N-O 3.19Å; N219-L235 WeakPolarHBondContact CA-O 3.34Å; N219-T236 WeakPolarHBondContact OD1-CA 3.46Å; N219-T236 WeakPolarHBondContact OD1-CG2 3.48Å
220L83.3Confident75.3Confident2 Ų254.2 Ų54.21%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-110.2133.6177.1-170.675000108.9L165 F179 V180 V187 L235L165-L220 HydrophobicContact CD1-CD2 3.55Å; L165-L220 HydrophobicContact CD2-CD2 3.77Å; L165-L220 HydrophobicContact CG-CD2 4.31Å; F179-L220 HydrophobicContact CB-CD1 4.33Å; F179-L220 HydrophobicContact CB-CD2 4.19Å; F179-L220 HydrophobicContact CB-CG 4.41Å; F179-L220 HydrophobicContact CD1-CD2 3.62Å; F179-L220 HydrophobicContact CD1-CG 4.34Å; F179-L220 HydrophobicContact CE1-CD2 4.5Å; F179-L220 HydrophobicContact CG-CD2 4.34Å; V180-L220 WeakPolarHBondContact O-CD1 3.45Å; V187-L220 HydrophobicContact CB-CD1 4.16Å; V187-L220 HydrophobicContact CG1-CD1 4.49Å; V187-L220 HydrophobicContact CG2-CD1 3.67Å; L220-L235 HydrophobicContact CB-CB 4.39Å; L220-L235 HydrophobicContact CD2-CD2 4.21Å; L220-L235 PolarHBondContact N-O 2.89Å; L220-L235 PolarHBondContact O-N 3.3Å
221T88.6Confident76.9Confident36 Ų3649.6 Ų49.622%0.22132%0.317CS..EExtended strand (participates in β ladder)trans-102.5130.8175.3-52.50000109.2V180V180-T221 PolarHBondContact N-O 3.16Å; V180-T221 PolarHBondContact O-N 2.95Å
222V87.7Confident78.5Confident0 Ų055.3 Ų55.30%034%0.342CS..EExtended strand (participates in β ladder)trans-103.5116.9175.2-170.60000108.5V149 A167 I177 T178 F179 Q232 S233V149-V222 HydrophobicContact CG1-CG2 3.65Å; V149-V222 HydrophobicContact CG2-CB 4.36Å; V149-V222 HydrophobicContact CG2-CG2 4.07Å; A167-V222 HydrophobicContact CB-CG1 4.13Å; I177-V222 HydrophobicContact CG2-CG1 3.67Å; T178-V222 WeakPolarHBondContact O-CA 3.13Å; F179-V222 HydrophobicContact CD1-CB 4.43Å; F179-V222 HydrophobicContact CD1-CG1 4.31Å; F179-V222 HydrophobicContact CD1-CG2 3.62Å; F179-V222 HydrophobicContact CE1-CB 4.34Å; F179-V222 HydrophobicContact CE1-CG1 3.96Å; F179-V222 HydrophobicContact CE1-CG2 3.5Å; F179-V222 VanDerWaalsContact CE1-CG2 3.5Å; F179-V222 HydrophobicContact CZ-CG1 4.24Å; V222-Q232 CarbonylContact O-C 3.59Å; V222-Q232 VanDerWaalsContact O-CA 3.29Å; V222-Q232 WeakPolarHBondContact O-CA 3.31Å; V222-S233 PolarHBondContact N-O 3.49Å; V222-S233 PolarHBondContact O-N 2.9Å
223N90.1Very high80.1Confident33 Ų3352.3 Ų52.318%0.17633%0.326CS..EExtended strand (participates in β ladder)trans-107.9130.3176.3-71.3-15.7000109.6I177 T178 Q232I177-N223 CarbonylContact C-O 3.54Å; I177-N223 WeakPolarHBondContact CA-O 3.36Å; T178-N223 PolarHBondContact N-O 3.06Å; T178-N223 PolarHBondContact O-N 3.3Å; N223-Q232 VanDerWaalsContact OD1-CB 3.27Å; N223-Q232 WeakPolarHBondContact OD1-CB 3.15Å
224A89.8Confident81.7Confident0 Ų055 Ų550%034%0.34CS..EExtended strand (participates in β ladder)trans-118.3124174.400000109.7P144 I146 V169 T176 I177 M230 A231P144-A224 HydrophobicContact CB-CB 3.85Å; P144-A224 HydrophobicContact CG-CB 4.46Å; I146-A224 HydrophobicContact CD1-CB 4.22Å; I146-A224 HydrophobicContact CG1-CB 4.13Å; V169-A224 HydrophobicContact CG1-CB 3.68Å; V169-A224 HydrophobicContact CG2-CB 4.31Å; T176-A224 WeakPolarHBondContact O-CA 3.42Å; I177-A224 HydrophobicContact CG1-CB 4.48Å; A224-M230 CarbonylContact O-C 3.54Å; A224-M230 VanDerWaalsContact O-CA 3.32Å; A224-M230 WeakPolarHBondContact O-CA 3.36Å; A224-A231 PolarHBondContact N-O 2.91Å; A224-A231 PolarHBondContact O-N 3.01Å
225T90.6Very high83.2Confident44 Ų4450.4 Ų50.427%0.2731%0.307SS..EExtended strand (participates in β ladder)trans-128.8138.1-174.655.40000112A175 T176 M230A175-T225 CarbonylContact C-O 3.53Å; A175-T225 WeakPolarHBondContact CA-O 3.49Å; A175-T225 WeakPolarHBondContact CB-O 3.34Å; T176-T225 PolarHBondContact N-O 3.06Å; T176-T225 PolarHBondContact O-N 3.22Å; T176-T225 PolarHBondContact O-OG1 2.87Å; T225-M230 HydrophobicContact CG2-CB 4.13Å; T225-M230 HydrophobicContact CG2-CE 3.39Å; T225-M230 HydrophobicContact CG2-CG 3.83Å; T225-M230 HydrophobicContact CG2-SD 4.4Å
226N90.3Very high84.4Confident26 Ų2649.4 Ų49.414%0.13930%0.296CS..  trans-138-176.7165.975.24000110.5F142 P144 P173 A175 V228 G229F142-N226 PolarHBondContact O-ND2 3.26Å; P144-N226 WeakPolarHBondContact CD-OD1 3.43Å; P144-N226 HydrophobicContact CG-CB 4.14Å; P173-N226 PolarHBondContact O-ND2 2.89Å; A175-N226 HydrophobicContact CB-CB 4.23Å; N226-V228 PolarHBondContact O-N 3.1Å; N226-V228 VanDerWaalsContact O-N 3.09Å; N226-V228 WeakPolarHBondContact OD1-CA 3.43Å; N226-V228 WeakPolarHBondContact OD1-CB 3.45Å; N226-V228 PolarHBondContact OD1-N 3.15Å; N226-G229 PolarHBondContact N-O 3.37Å; N226-G229 PolarHBondContact O-N 3.09Å; N226-G229 PolarHBondContact OD1-N 3.26Å; N226-G229 PolarHBondContact OD1-O 3.28Å
227S89.1Confident85Confident101 Ų10148.5 Ų48.571%0.70629%0.292SS*.SBendtrans-65.1-8.6179.658.80000115
228V90.6Very high85Confident39 Ų3948 Ų4824%0.23629%0.293CS..SBendtrans-103.4-32.6-178.2-170.70000111.5Q46 Q141 N226Q46-V228 HydrophobicContact CG-CG1 4.3Å; Q141-V228 HydrophobicContact CB-CG2 3.98Å; N226-V228 PolarHBondContact O-N 3.1Å; N226-V228 VanDerWaalsContact O-N 3.09Å; N226-V228 WeakPolarHBondContact OD1-CA 3.43Å; N226-V228 WeakPolarHBondContact OD1-CB 3.45Å; N226-V228 PolarHBondContact OD1-N 3.15Å
229G91.5Very high84.2Confident26 Ų2654.6 Ų54.627%0.26832%0.317SS..  trans175.9-167.8-179.400000114.9P144 N226P144-G229 WeakPolarHBondContact CD-O 3.48Å; N226-G229 PolarHBondContact N-O 3.37Å; N226-G229 PolarHBondContact O-N 3.09Å; N226-G229 PolarHBondContact OD1-N 3.26Å; N226-G229 PolarHBondContact OD1-O 3.28Å
230M91.9Very high83Confident111 Ų11154.1 Ų54.155%0.54731%0.311SS..EExtended strand (participates in β ladder)trans-131.3145.7-176.3177.4-176-7600110.6A224 T225A224-M230 CarbonylContact O-C 3.54Å; A224-M230 VanDerWaalsContact O-CA 3.32Å; A224-M230 WeakPolarHBondContact O-CA 3.36Å; T225-M230 HydrophobicContact CG2-CB 4.13Å; T225-M230 HydrophobicContact CG2-CE 3.39Å; T225-M230 HydrophobicContact CG2-CG 3.83Å; T225-M230 HydrophobicContact CG2-SD 4.4Å
231A90.5Very high81.5Confident21 Ų2158.6 Ų58.617%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-130.1150.4165.600000110.1P144 I146 A224P144-A231 HydrophobicContact CB-CB 4.41Å; P144-A231 VanDerWaalsContact O-CB 3.31Å; P144-A231 WeakPolarHBondContact O-CB 3.35Å; I146-A231 HydrophobicContact CD1-CB 4.16Å; I146-A231 HydrophobicContact CG1-CB 4.08Å; A224-A231 PolarHBondContact N-O 2.91Å; A224-A231 PolarHBondContact O-N 3.01Å
232Q92.2Very high79.4Confident142 Ų14263.6 Ų63.666%0.66436%0.355SS*.EExtended strand (participates in β ladder)trans-134.8147.5-18066.4-177.215.800110.9V222 N223V222-Q232 CarbonylContact O-C 3.59Å; V222-Q232 VanDerWaalsContact O-CA 3.29Å; V222-Q232 WeakPolarHBondContact O-CA 3.31Å; N223-Q232 VanDerWaalsContact OD1-CB 3.27Å; N223-Q232 WeakPolarHBondContact OD1-CB 3.15Å
233S89.3Confident77.5Confident39 Ų3968.2 Ų68.227%0.27339%0.388SS..EExtended strand (participates in β ladder)trans-147.2144.3177.2-170.30000110.8V222V222-S233 PolarHBondContact N-O 3.49Å; V222-S233 PolarHBondContact O-N 2.9Å
234N87.9Confident75.5Confident113 Ų11376.3 Ų76.360%0.60442%0.416SS*.EExtended strand (participates in β ladder)trans-100.9140-178.6-62.6-3.1000110.4
235L82.4Confident73.7Confident15 Ų1581.5 Ų81.58%0.07945%0.448CS..EExtended strand (participates in β ladder)trans-122.1117.8176.2176.367.4000109.1V149 A151 L165 N219 L220 L237V149-L235 HydrophobicContact CG1-CB 4Å; V149-L235 HydrophobicContact CG1-CD1 4.12Å; V149-L235 HydrophobicContact CG1-CD2 3.93Å; V149-L235 HydrophobicContact CG1-CG 4.24Å; A151-L235 HydrophobicContact CB-CD2 4.16Å; L165-L235 HydrophobicContact CD2-CD2 3.74Å; N219-L235 WeakPolarHBondContact CA-O 3.34Å; L220-L235 HydrophobicContact CB-CB 4.39Å; L220-L235 HydrophobicContact CD2-CD2 4.21Å; L220-L235 PolarHBondContact N-O 2.89Å; L220-L235 PolarHBondContact O-N 3.3Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 4.33Å
236T77.4Confident71.9Confident81 Ų8187.1 Ų87.150%0.49747%0.471SS..EExtended strand (participates in β ladder)trans-90.6113.9178.753.10000110.3N219 A238N219-T236 WeakPolarHBondContact OD1-CA 3.46Å; N219-T236 WeakPolarHBondContact OD1-CG2 3.48Å; T236-A238 PolarHBondContact O-N 2.83Å
237L72.9Confident70.4Confident9 Ų989 Ų895%0.04748%0.483CS..  trans-83.611175-58.7173.1000112.9A151 L163 G218 L235 E239 F240A151-L237 HydrophobicContact CB-CD2 3.77Å; L163-L237 HydrophobicContact CD2-CD1 4.07Å; L163-L237 HydrophobicContact CD2-CD2 4.14Å; G218-L237 WeakPolarHBondContact O-CB 3.4Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 4.33Å; L237-E239 PolarHBondContact O-N 2.88Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 2.85Å
238A58.1Low69.3Low69 Ų6988.6 Ų88.657%0.5748%0.478SS*.G310 helixtrans-64.7-38.7-169.700000114.5T236 F240T236-A238 PolarHBondContact O-N 2.83Å; A238-F240 PolarHBondContact O-N 2.86Å
239E54.6Low68.6Low161 Ų16192.7 Ų92.775%0.75250%0.496SS*.G310 helixtrans-66.6-20.5178.3-62.6-171.2144.100112.7L237L237-E239 PolarHBondContact O-N 2.88Å
240F54.3Low67.7Low69 Ų6998.2 Ų98.230%0.30352%0.518SS..G310 helixtrans-91-16.1-170.1-67-78.8000114A151 Y153 L237 A238A151-F240 HydrophobicContact CB-CE2 4.42Å; Y153-F240 HydrophobicContact CD2-CD1 4.05Å; Y153-F240 HydrophobicContact CE2-CB 3.63Å; Y153-F240 AromaticContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CD1 3.76Å; Y153-F240 HydrophobicContact CE2-CG 4.12Å; Y153-F240 PolarHBondContact OH-O 3.12Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 2.85Å; A238-F240 PolarHBondContact O-N 2.86Å
241L51.1Low67Low96 Ų9694.9 Ų94.950%0.50351%0.513SS..SBendtrans-95.52.1171.7-71.1177.9000113.3S243L241-S243 PolarHBondContact O-N 2.83Å
242Q44.8Very low66.7Low140 Ų14098.8 Ų98.865%0.65453%0.529SS*.  trans-77.177.5173.5-165.4149.118.800109.6R244Q242-R244 VanDerWaalsContact C-N 3.29Å; Q242-R244 PolarHBondContact O-N 2.91Å
243S47.3Very low66.4Low98 Ų9896.6 Ų96.669%0.68553%0.525SS*.  trans-55.596.7165.648.80000108.4L241 V245L241-S243 PolarHBondContact O-N 2.83Å; S243-V245 PolarHBondContact O-N 2.67Å
244R48.6Very low66.2Low202 Ų20297.7 Ų97.776%0.76253%0.531SS*.  trans-68.980.1164-68.5-171-169.6-102.8-0.8106.8Q242 E246Q242-R244 VanDerWaalsContact C-N 3.29Å; Q242-R244 PolarHBondContact O-N 2.91Å; R244-E246 HydrophobicContact CB-CG 4.39Å; R244-E246 PolarHBondContact O-N 2.87Å
245V51.6Low66.2Low110 Ų11093.8 Ų93.867%0.66752%0.517SS*.  trans-67.485.6158.4-168.10000104.9S243 V247S243-V245 PolarHBondContact O-N 2.67Å; V245-V247 HydrophobicContact CB-CG2 4.33Å; V245-V247 HydrophobicContact CG1-CG2 3.58Å; V245-V247 PolarHBondContact O-N 3.1Å
246E52.9Low66.6Low162 Ų16295.1 Ų95.176%0.75754%0.535SS*.  trans-68.571.7164.2-71.6-174.5170.300107.2R244 P248R244-E246 HydrophobicContact CB-CG 4.39Å; R244-E246 PolarHBondContact O-N 2.87Å; E246-P248 WeakPolarHBondContact O-CD 3.16Å; E246-P248 VanDerWaalsContact O-N 3.15Å
247V59.5Low67.3Low66 Ų6693.8 Ų93.840%0.453%0.532SS..  trans-53.4122.3167-175.80000105.1V245 M249 I252V245-V247 HydrophobicContact CB-CG2 4.33Å; V245-V247 HydrophobicContact CG1-CG2 3.58Å; V245-V247 PolarHBondContact O-N 3.1Å; V247-M249 HydrophobicContact CG1-SD 4.27Å; V247-M249 PolarHBondContact O-N 3.39Å; V247-I252 HydrophobicContact CG1-CD1 3.34Å; V247-I252 HydrophobicContact CG1-CG1 4.42Å
248P67Low68.3Low91 Ų9199.6 Ų99.659%0.59156%0.56SS**  trans-72.778.8-179.429.1-34.3000108.2E246 L250 G251 I252E246-P248 WeakPolarHBondContact O-CD 3.16Å; E246-P248 VanDerWaalsContact O-N 3.15Å; P248-L250 PolarHBondContact O-N 3.01Å; P248-G251 WeakPolarHBondContact O-CA 3.31Å; P248-G251 PolarHBondContact O-N 2.82Å; P248-I252 PolarHBondContact O-N 2.88Å
249M75.4Confident70Confident126 Ų12698.9 Ų98.962%0.62156%0.555SS**Hα-helixtrans-56.1-36.6-175.6-71.9-67.2-76.400110.7V247 I252 V253V247-M249 HydrophobicContact CG1-SD 4.27Å; V247-M249 PolarHBondContact O-N 3.39Å; M249-I252 PolarHBondContact O-N 3.1Å; M249-V253 VanDerWaalsContact O-CB 3.28Å; M249-V253 WeakPolarHBondContact O-CB 3.33Å; M249-V253 WeakPolarHBondContact O-CG2 3.41Å; M249-V253 PolarHBondContact O-N 2.81Å
250L73.1Confident71.9Confident141 Ų14197.4 Ų97.474%0.73855%0.546SS*.Hα-helixtrans-60.5-43.8172.1-171.765.4000112P248 T254P248-L250 PolarHBondContact O-N 3.01Å; L250-T254 HydrophobicContact CD1-CG2 4.11Å; L250-T254 HydrophobicContact CG-CG2 4.38Å; L250-T254 VanDerWaalsContact O-CB 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 VanDerWaalsContact O-CG2 3.23Å; L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.04Å; L250-T254 PolarHBondContact O-OG1 2.78Å
251G76.4Confident73.8Confident41 Ų4199.2 Ų99.242%0.42356%0.557SS.*Hα-helixtrans-65.6-4217700000113.4P248 T254 G255P248-G251 WeakPolarHBondContact O-CA 3.31Å; P248-G251 PolarHBondContact O-N 2.82Å; G251-T254 PolarHBondContact O-OG1 2.9Å; G251-G255 PolarHBondContact O-N 3.43Å
252I83.8Confident75.8Confident103 Ų10397.5 Ų97.553%0.52856%0.556SS.*Hα-helixtrans-67.6-45.7176.6-61.5-175.4000111.1V247 P248 M249 G256V247-I252 HydrophobicContact CG1-CD1 3.34Å; V247-I252 HydrophobicContact CG1-CG1 4.42Å; P248-I252 PolarHBondContact O-N 2.88Å; M249-I252 PolarHBondContact O-N 3.1Å; I252-G256 PolarHBondContact O-N 2.99Å
253V86.7Confident78.2Confident96 Ų9696.3 Ų96.358%0.58255%0.554SS**Hα-helixtrans-67.6-44.8-179.5171.30000111.4M249 A257M249-V253 VanDerWaalsContact O-CB 3.28Å; M249-V253 WeakPolarHBondContact O-CB 3.33Å; M249-V253 WeakPolarHBondContact O-CG2 3.41Å; M249-V253 PolarHBondContact O-N 2.81Å; V253-A257 WeakPolarHBondContact O-CB 3.31Å; V253-A257 PolarHBondContact O-N 2.91Å
254T85.2Confident80.5Confident63 Ų6395.3 Ų95.339%0.38754%0.54SS..Hα-helixtrans-67.9-42.6177.453.80000112.2L250 G251 A257 M258L250-T254 HydrophobicContact CD1-CG2 4.11Å; L250-T254 HydrophobicContact CG-CG2 4.38Å; L250-T254 VanDerWaalsContact O-CB 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 VanDerWaalsContact O-CG2 3.23Å; L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.04Å; L250-T254 PolarHBondContact O-OG1 2.78Å; G251-T254 PolarHBondContact O-OG1 2.9Å; T254-A257 PolarHBondContact O-N 3.4Å; T254-M258 WeakPolarHBondContact O-CG 3.48Å; T254-M258 PolarHBondContact O-N 2.87Å
255G87.2Confident82.7Confident31 Ų3190.2 Ų90.232%0.3253%0.527SS..Hα-helixtrans-60.6-46.1174.600000112.5G251 M258 A259G251-G255 PolarHBondContact O-N 3.43Å; G255-M258 PolarHBondContact O-N 2.93Å; G255-A259 WeakPolarHBondContact O-CB 3.29Å; G255-A259 PolarHBondContact O-N 3.14Å
256G90.3Very high84.7Confident43 Ų4390 Ų9044%0.44352%0.522SS..Hα-helixtrans-61.9-43.3176.100000113I252 A259 F260I252-G256 PolarHBondContact O-N 2.99Å; G256-A259 PolarHBondContact O-N 2.82Å; G256-F260 WeakPolarHBondContact O-CB 3.39Å; G256-F260 PolarHBondContact O-N 2.86Å
257A92.7Very high86.6Confident53 Ų5385.7 Ų85.744%0.43851%0.509SS..Hα-helixtrans-63.6-44.4176.300000112.2V253 T254 F260 M261V253-A257 WeakPolarHBondContact O-CB 3.31Å; V253-A257 PolarHBondContact O-N 2.91Å; T254-A257 PolarHBondContact O-N 3.4Å; A257-F260 PolarHBondContact O-N 2.95Å; A257-M261 WeakPolarHBondContact O-CG 3.46Å; A257-M261 PolarHBondContact O-N 2.97Å
258M93.6Very high88.1Confident130 Ų13087.7 Ų87.764%0.6452%0.517SS*.Hα-helixtrans-62.7-43.6176.8-74.2-172.2-71.400112.1T254 G255 M261 A262T254-M258 WeakPolarHBondContact O-CG 3.48Å; T254-M258 PolarHBondContact O-N 2.87Å; G255-M258 PolarHBondContact O-N 2.93Å; M258-M261 PolarHBondContact O-N 3.5Å; M258-A262 PolarHBondContact O-N 2.83Å
259A93.6Very high89.3Confident55 Ų5587.5 Ų87.546%0.45551%0.511SS..Hα-helixtrans-62.3-43.3176.500000112.1G255 G256 A262 L263G255-A259 WeakPolarHBondContact O-CB 3.29Å; G255-A259 PolarHBondContact O-N 3.14Å; G256-A259 PolarHBondContact O-N 2.82Å; A259-A262 PolarHBondContact O-N 3.16Å; A259-L263 WeakPolarHBondContact O-CG 3.15Å; A259-L263 PolarHBondContact O-N 2.82Å; A259-L263 VanDerWaalsContact O-N 3.08Å
260F94.8Very high90Very high129 Ų12985.3 Ų85.357%0.56650%0.504SS*.Hα-helixtrans-64.3-43.2178-171.8-105.4000112.4G256 A257 A262 L263 L264G256-F260 WeakPolarHBondContact O-CB 3.39Å; G256-F260 PolarHBondContact O-N 2.86Å; A257-F260 PolarHBondContact O-N 2.95Å; F260-A262 PolarHBondContact O-N 2.93Å; F260-L263 PolarHBondContact O-N 2.87Å; F260-L264 HydrophobicContact CD1-CD1 3.97Å; F260-L264 HydrophobicContact CD1-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.62Å; F260-L264 HydrophobicContact CE1-CD2 4.5Å; F260-L264 HydrophobicContact CE1-CG 4.11Å; F260-L264 HydrophobicContact CZ-CD1 4.31Å; F260-L264 HydrophobicContact CZ-CD2 4.4Å; F260-L264 HydrophobicContact CZ-CG 4.41Å; F260-L264 PolarHBondContact O-N 2.76Å
261M94.3Very high90.7Very high108 Ų10883 Ų8353%0.53249%0.492SS..Hα-helixtrans-63.2-40176-70.7-58.8-64.200112.3A257 M258 L263 L264 I265A257-M261 WeakPolarHBondContact O-CG 3.46Å; A257-M261 PolarHBondContact O-N 2.97Å; M258-M261 PolarHBondContact O-N 3.5Å; M261-L263 VanDerWaalsContact C-N 3.35Å; M261-L263 PolarHBondContact O-N 2.89Å; M261-L264 PolarHBondContact O-N 2.78Å; M261-L264 HydrophobicContact SD-CD1 4.24Å; M261-I265 VanDerWaalsContact O-CG1 3.31Å; M261-I265 WeakPolarHBondContact O-CG1 3.24Å; M261-I265 PolarHBondContact O-N 2.91Å
262A93.8Very high91Very high60 Ų6084.7 Ų84.750%0.49650%0.496SS..Hα-helixtrans-62.1-41174.900000112.3M258 A259 F260 I265 L266M258-A262 PolarHBondContact O-N 2.83Å; A259-A262 PolarHBondContact O-N 3.16Å; F260-A262 PolarHBondContact O-N 2.93Å; A262-I265 PolarHBondContact O-N 3.09Å; A262-L266 WeakPolarHBondContact O-CB 3.29Å; A262-L266 PolarHBondContact O-N 2.9Å
263L95.3Very high91Very high114 Ų11484.4 Ų84.460%0.59750%0.495SS*.Hα-helixtrans-65-40.1175.9-71.3170.8000112.6A259 F260 M261 L266 S267A259-L263 WeakPolarHBondContact O-CG 3.15Å; A259-L263 PolarHBondContact O-N 2.82Å; A259-L263 VanDerWaalsContact O-N 3.08Å; F260-L263 PolarHBondContact O-N 2.87Å; M261-L263 VanDerWaalsContact C-N 3.35Å; M261-L263 PolarHBondContact O-N 2.89Å; L263-L266 PolarHBondContact O-N 3.29Å; L263-S267 WeakPolarHBondContact O-CB 3.4Å; L263-S267 PolarHBondContact O-N 2.82Å
264L95.4Very high90.8Very high77 Ų7785.1 Ų85.140%0.40349%0.494SS..Hα-helixtrans-62.9-44.7174.5-71.7179000111.9F260 M261 S267 L268F260-L264 HydrophobicContact CD1-CD1 3.97Å; F260-L264 HydrophobicContact CD1-CG 4.38Å; F260-L264 HydrophobicContact CE1-CD1 3.62Å; F260-L264 HydrophobicContact CE1-CD2 4.5Å; F260-L264 HydrophobicContact CE1-CG 4.11Å; F260-L264 HydrophobicContact CZ-CD1 4.31Å; F260-L264 HydrophobicContact CZ-CD2 4.4Å; F260-L264 HydrophobicContact CZ-CG 4.41Å; F260-L264 PolarHBondContact O-N 2.76Å; M261-L264 PolarHBondContact O-N 2.78Å; M261-L264 HydrophobicContact SD-CD1 4.24Å; L264-S267 PolarHBondContact O-N 2.77Å; L264-L268 WeakPolarHBondContact O-CG 3.3Å; L264-L268 PolarHBondContact O-N 2.86Å
265I94Very high90.2Very high96 Ų9688 Ų8849%0.49250%0.503SS..Hα-helixtrans-61.8-45177.2-67.7163.9000110.5M261 A262 S267 L268 I269M261-I265 VanDerWaalsContact O-CG1 3.31Å; M261-I265 WeakPolarHBondContact O-CG1 3.24Å; M261-I265 PolarHBondContact O-N 2.91Å; A262-I265 PolarHBondContact O-N 3.09Å; I265-S267 PolarHBondContact O-N 3.44Å; I265-L268 PolarHBondContact O-N 3.03Å; I265-I269 HydrophobicContact CG2-CD1 3.85Å; I265-I269 VanDerWaalsContact O-CG1 3.3Å; I265-I269 WeakPolarHBondContact O-CG1 3.35Å; I265-I269 PolarHBondContact O-N 3.41Å
266L94.1Very high89.2Confident106 Ų10693.1 Ų93.156%0.55552%0.516SS*.Hα-helixtrans-62.2-42.6177.7-168.970.6000111.9A262 L263 I269 V270A262-L266 WeakPolarHBondContact O-CB 3.29Å; A262-L266 PolarHBondContact O-N 2.9Å; L263-L266 PolarHBondContact O-N 3.29Å; L266-I269 PolarHBondContact O-N 2.86Å; L266-V270 WeakPolarHBondContact O-CG2 3.01Å; L266-V270 PolarHBondContact O-N 3.13Å
267S92.1Very high87.8Confident70 Ų7096.8 Ų96.849%0.4953%0.526SS..Hα-helixtrans-60.8-44.2175.9-1740000112.2L263 L264 I265 V270 L271L263-S267 WeakPolarHBondContact O-CB 3.4Å; L263-S267 PolarHBondContact O-N 2.82Å; L264-S267 PolarHBondContact O-N 2.77Å; I265-S267 PolarHBondContact O-N 3.44Å; S267-V270 PolarHBondContact O-N 3.06Å; S267-L271 PolarHBondContact O-N 2.77Å
268L92.6Very high86.1Confident109 Ų109102.2 Ų102.257%0.57154%0.539SS*.Hα-helixtrans-62.9-42.4175-72.2169.8000112.1L264 I265 V270 L271 C272L264-L268 WeakPolarHBondContact O-CG 3.3Å; L264-L268 PolarHBondContact O-N 2.86Å; I265-L268 PolarHBondContact O-N 3.03Å; L268-V270 VanDerWaalsContact C-N 3.34Å; L268-V270 PolarHBondContact O-N 2.81Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 PolarHBondContact O-N 2.93Å; L268-C272 PolarHBondContact O-N 3.48Å; L268-C272 PolarHBondContact O-SG 3.11Å; L268-C272 VanDerWaalsContact O-SG 3.33Å
269I91Very high84.3Confident87 Ų87100.4 Ų100.445%0.44654%0.54SS..Hα-helixtrans-59.8-44.8175.6-69.6164.5000110.7I265 L266 L271 C272 L273I265-I269 HydrophobicContact CG2-CD1 3.85Å; I265-I269 VanDerWaalsContact O-CG1 3.3Å; I265-I269 WeakPolarHBondContact O-CG1 3.35Å; I265-I269 PolarHBondContact O-N 3.41Å; L266-I269 PolarHBondContact O-N 2.86Å; I269-L271 PolarHBondContact O-N 2.9Å; I269-C272 PolarHBondContact O-N 3.16Å; I269-L273 HydrophobicContact CG2-CD1 3.97Å; I269-L273 HydrophobicContact CG2-CG 4.43Å; I269-L273 VanDerWaalsContact O-CG 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.01Å; I269-L273 PolarHBondContact O-N 2.94Å
270V90.4Very high82.3Confident79 Ų79106.6 Ų106.648%0.47956%0.556SS.*Hα-helixtrans-61.5-43175.5172.30000111.1L266 S267 L268 C272 L273 M274L266-V270 WeakPolarHBondContact O-CG2 3.01Å; L266-V270 PolarHBondContact O-N 3.13Å; S267-V270 PolarHBondContact O-N 3.06Å; L268-V270 VanDerWaalsContact C-N 3.34Å; L268-V270 PolarHBondContact O-N 2.81Å; V270-C272 PolarHBondContact O-N 2.95Å; V270-L273 PolarHBondContact O-N 2.9Å; V270-M274 WeakPolarHBondContact O-CB 3.48Å; V270-M274 WeakPolarHBondContact O-CG 3.4Å; V270-M274 PolarHBondContact O-N 2.95Å
271L87.5Confident80.1Confident94 Ų94107.5 Ų107.549%0.49257%0.565SS.*Hα-helixtrans-59.7-46175.2-121.377.9000112.2S267 L268 I269 M274 Q275S267-L271 PolarHBondContact O-N 2.77Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 PolarHBondContact O-N 2.93Å; I269-L271 PolarHBondContact O-N 2.9Å; L271-M274 PolarHBondContact O-N 2.95Å; L271-Q275 WeakPolarHBondContact O-CG 3.43Å; L271-Q275 PolarHBondContact O-N 2.84Å
272C83.8Confident77.8Confident76 Ų76110 Ų11051%0.51458%0.579SS.*Hα-helixtrans-64.9-39.3178.4-69.40000112.4L268 I269 V270 Q275 K276L268-C272 PolarHBondContact O-N 3.48Å; L268-C272 PolarHBondContact O-SG 3.11Å; L268-C272 VanDerWaalsContact O-SG 3.33Å; I269-C272 PolarHBondContact O-N 3.16Å; V270-C272 PolarHBondContact O-N 2.95Å; C272-Q275 PolarHBondContact O-N 2.82Å; C272-K276 VanDerWaalsContact O-CB 3.3Å; C272-K276 WeakPolarHBondContact O-CB 3.49Å; C272-K276 PolarHBondContact O-N 2.91Å
273L83.8Confident75.1Confident97 Ų97115.1 Ų115.151%0.50860%0.599SS.*Hα-helixtrans-64.3-41.1174.2-70.8170.9000111.5I269 V270 K276 N277I269-L273 HydrophobicContact CG2-CD1 3.97Å; I269-L273 HydrophobicContact CG2-CG 4.43Å; I269-L273 VanDerWaalsContact O-CG 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.01Å; I269-L273 PolarHBondContact O-N 2.94Å; V270-L273 PolarHBondContact O-N 2.9Å; L273-K276 PolarHBondContact O-N 3.05Å; L273-N277 PolarHBondContact O-N 2.87Å
274M81.3Confident72.3Confident110 Ų110117.4 Ų117.454%0.54261%0.606SS.*Hα-helixtrans-66.7-35175.4-73-56.2-56.100113.2V270 L271V270-M274 WeakPolarHBondContact O-CB 3.48Å; V270-M274 WeakPolarHBondContact O-CG 3.4Å; V270-M274 PolarHBondContact O-N 2.95Å; L271-M274 PolarHBondContact O-N 2.95Å
275Q73.1Confident69.8Low124 Ų124119.8 Ų119.858%0.57963%0.626SS**Hα-helixtrans-71.8-41.5174-73.7177.9-6.600112.2L271 C272 N277 K278 S279L271-Q275 WeakPolarHBondContact O-CG 3.43Å; L271-Q275 PolarHBondContact O-N 2.84Å; C272-Q275 PolarHBondContact O-N 2.82Å; Q275-N277 PolarHBondContact O-N 2.84Å; Q275-K278 WeakPolarHBondContact O-CA 3.28Å; Q275-K278 WeakPolarHBondContact O-CB 3.43Å; Q275-K278 PolarHBondContact O-N 3.47Å; Q275-S279 PolarHBondContact O-N 2.86Å; Q275-S279 VanDerWaalsContact O-N 3.09Å
276K66.8Low66.8Low139 Ų139120.6 Ų120.660%0.60464%0.635SS**Hα-helixtrans-61.9-26.9176.8-175.4173.4178176.50113.3C272 L273 S279C272-K276 VanDerWaalsContact O-CB 3.3Å; C272-K276 WeakPolarHBondContact O-CB 3.49Å; C272-K276 PolarHBondContact O-N 2.91Å; L273-K276 PolarHBondContact O-N 3.05Å; K276-S279 PolarHBondContact O-OG 2.85Å
277N59.7Low64Low120 Ų120123.4 Ų123.464%0.64265%0.646SS**THydrogen-bonded Turntrans-78.8-17.1171.7-77.1-6.4000113.8L273 Q275L273-N277 PolarHBondContact O-N 2.87Å; Q275-N277 PolarHBondContact O-N 2.84Å
278K57.9Low61.3Low166 Ų166126.4 Ų126.472%0.72266%0.655SS**THydrogen-bonded Turntrans-89.5-28.7173.5-69.3-175.8177.1-173.90112.9Q275 K280Q275-K278 WeakPolarHBondContact O-CA 3.28Å; Q275-K278 WeakPolarHBondContact O-CB 3.43Å; Q275-K278 PolarHBondContact O-N 3.47Å; K278-K280 PolarHBondContact O-N 2.9Å
279S55.4Low58.1Low93 Ų93128.5 Ų128.565%0.6567%0.666SS**THydrogen-bonded Turntrans-80.637.4-177.669.70000114.5Q275 K276Q275-S279 PolarHBondContact O-N 2.86Å; Q275-S279 VanDerWaalsContact O-N 3.09Å; K276-S279 PolarHBondContact O-OG 2.85Å
280K51.3Low55.3Low184 Ų184132.1 Ų132.180%0.868%0.683SS**THydrogen-bonded Turntrans-130.110.2-177.6-90-163.7173.4-168.50114.8K278K278-K280 PolarHBondContact O-N 2.9Å
281I49.3Very low52.4Low148 Ų148135.6 Ų135.676%0.75971%0.705SS**SBendtrans-120.9-4.1-170.4-64.6-179.9000113.3
282I46.1Very low49.6Very low160 Ų160140.4 Ų140.482%0.82172%0.721SS**  trans-127.693-178.8-52.5179.1000109.8
283D35.5Very low46.9Very low169 Ų169145.2 Ų145.290%0.90473%0.733SS**  trans-133.392.6163.2-106.3-28.3000107.6
284E37.6Very low44.6Very low161 Ų161145 Ų14575%0.75274%0.74SS**  trans-166.9129.9143.9-164.5156.1-15500108.4
285P42.9Very low42.3Very low127 Ų127147.1 Ų147.183%0.82575%0.749SS**  -138.6155.1121.536.2-24.2000114.5
286V30.8Very low40.6Very low114 Ų114146.4 Ų146.469%0.69176%0.758SS**  trans-71.8146.4-174.4170.10000113.7
287E34.1Very low39.3Very low165 Ų165144.3 Ų144.377%0.77177%0.766SS**  trans-0.8150.7147.4-66.5-172.2155.900119.5
288I35.8Very low38.1Very low132 Ų132143.3 Ų143.368%0.67777%0.769SS**  cis-165.3156.115.6-117157.9000109.3
289L26.2Very low36.7Very low154 Ų154143.7 Ų143.781%0.80678%0.777SS**  trans139.1108.8133.3-154.973.7000117.3
290M33Very low35.8Very low162 Ų162147.9 Ų147.980%0.79878%0.784SS**  trans-0.8136.2152.3-58.3-67.9-169.700121.2
291T28.6Very low34.8Very low153 Ų153145.6 Ų145.694%0.93979%0.786SS**  -154.9169.5111.812.20000111.3
292K29Very low34Very low195 Ų195145.5 Ų145.585%0.84879%0.787SS**  trans-136.3161.3-147.3176.7-177.5178.4-179.70112.5
293K27.7Very low33.3Very low176 Ų176149 Ų14977%0.76579%0.789SS**  trans108108.2156.4-153.2171.8-174.5-176.60113.8
294S35.4Very low33.1Very low93 Ų93145.3 Ų145.365%0.6578%0.783SS**  73.115073-43.80000113.1
295E33.1Very low32.9Very low154 Ų154144 Ų14472%0.7278%0.781SS**  cis-168150.715.4-143.8159.2148.600112.8
296S37.6Very low32.4Very low110 Ų110146 Ų14677%0.76978%0.777SS**  trans53170144.564.90000121.8
297A38.4Very low32.8Very low94 Ų94146.2 Ų146.278%0.77778%0.778SS**  cis-172.8-169.9-43.500000105.1
298S33.9Very low32.6Very low100 Ų100146.2 Ų146.270%0.69978%0.784SS**  cis-165.1154.4-7.853.20000107.1
299L29.9Very low33.3Very low173 Ų173147.6 Ų147.691%0.90679%0.791SS**  trans-171.5159.7132.1-105.2155.9000113.9
300K35.9Very low34.2Very low182 Ų182146 Ų14679%0.79179%0.789SS**  trans-111166.4-163.7-67.1174.2172.9177.90113
301T30.7Very low34.1Very low136 Ų136148 Ų14883%0.83479%0.788SS**  132.9149.3128.255.90000113
302D32.9Very low34.4Very low145 Ų145146.6 Ų146.678%0.77577%0.771SS**  cis-168.3158.9-30.2-170.616.8000108.1
303R29.5Very low34.4Very low233 Ų233143.2 Ų143.288%0.87976%0.762SS**  trans127.6132155.3-70.8-174.4174.7-168.2-1.2118.2
304A33.3Very low34.8Very low92 Ų92142.4 Ų142.476%0.7676%0.763SS**  trans-80.5-178.5170.100000111
305D32.1Very low34.8Very low135 Ų135143.6 Ų143.672%0.72277%0.771SS**  cis-159-172.941.4-152.7-0.9000114.8
306K32.9Very low35.1Very low168 Ų168143.4 Ų143.473%0.7377%0.774SS**  trans-84.4157.2-152-64.8147.4-174.9158.90120.5
307T39Very low35.3Very low119 Ų119143.7 Ų143.773%0.7377%0.773SS**  trans29.5130.1140.2640000122.8
308N29Very low35.4Very low165 Ų165143 Ų14388%0.88276%0.763SS**  -171.7160.6122-93.6-40.2000111.8
309I50.9Low35.6Very low161 Ų161146.1 Ų146.183%0.82677%0.772SS**  trans-130.3133.7-176-65.7167.5000107.2
310P44.4Very low35.7Very low119 Ų119147 Ų14777%0.77377%0.773SS**  -163.1154.110142.7-21.2000120.7
311R32.3Very low35.8Very low206 Ų206146.1 Ų146.178%0.77777%0.772SS**  trans51.2129.1136.3-115.5-179.6157.5163.1-14.1125.3
312E34.5Very low36.1Very low123 Ų123147.7 Ų147.758%0.57578%0.775SS**  86.4142.9124.7-108.5171.4-143.800125.2
313N29.8Very low36.1Very low123 Ų123148.1 Ų148.166%0.65877%0.772SS**  trans73.7145.2153.8-61.3-31.4000119
314M34.8Very low36.5Very low160 Ų160141.2 Ų141.279%0.78875%0.752SS**  cis-164.2153.9-6-119.3162.666.700110.6
315S35.1Very low37Very low117 Ų117143.5 Ų143.582%0.81875%0.751SS**  153.5144124.2630000114.7
316L39.9Very low37.5Very low151 Ų151139.8 Ų139.879%0.79174%0.735SS**  trans-101.1161.6164.2-83161.7000108.8
317P42.3Very low37.9Very low115 Ų115136.3 Ų136.375%0.74773%0.729SS**  -128139.691.435.9-27.9000111.2
318S40.5Very low37.9Very low80 Ų80136.7 Ų136.756%0.55973%0.725SS**  cis62.8102.843.681.80000114.1
319N37.4Very low38.6Very low166 Ų166137.2 Ų137.289%0.88872%0.715SS**  trans-17967.8151.2-90-17.8000112.7
320M33.1Very low38.3Very low190 Ų190137 Ų13794%0.93671%0.708SS**  trans-150.1110142.4-153.3168-163.800108.1L322M320-L322 PolarHBondContact O-N 3.03Å
321Q37.4Very low38.2Very low164 Ų164134.5 Ų134.577%0.76670%0.697SS**  trans-72.7111.6-177.5-72.6174.2-13.400109.2H323Q321-H323 PolarHBondContact O-N 3.13Å
322L37.2Very low38.8Very low170 Ų170133.8 Ų133.889%0.8970%0.695SS**  trans-73.773.4163.9-167.779.6000108.3M320 D324M320-L322 PolarHBondContact O-N 3.03Å; L322-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact O-N 3.08Å
323H33.6Very low39.3Very low153 Ų153132.4 Ų132.471%0.70869%0.688SS**  trans-78100-178.2-131.4-61.8000110.5Q321Q321-H323 PolarHBondContact O-N 3.13Å
324D37.6Very low40Very low89 Ų89129 Ų12948%0.47668%0.677SS.*  trans71.6101.9145.9-152.16.3000119.2L322 S326 T327L322-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact O-N 3.08Å; D324-S326 VanDerWaalsContact CG-CB 3.46Å; D324-S326 PolarHBondContact O-N 3.39Å; D324-S326 VanDerWaalsContact O-N 3.09Å; D324-S326 VanDerWaalsContact OD1-CB 3.22Å; D324-S326 WeakPolarHBondContact OD1-CB 3.21Å; D324-S326 PolarHBondContact OD1-N 2.83Å; D324-S326 VanDerWaalsContact OD1-N 3.08Å; D324-S326 PolarHBondContact OD1-OG 3.03Å; D324-S326 VanDerWaalsContact OD2-CB 3.31Å; D324-S326 WeakPolarHBondContact OD2-CB 3.43Å; D324-S326 PolarHBondContact OD2-OG 2.71Å; D324-T327 PolarHBondContact O-OG1 2.94Å
325L43Very low40.5Very low140 Ų140124.7 Ų124.773%0.73367%0.667SS**THydrogen-bonded Turntrans-65.61.6166.7-78.6163.3000113.7T327 L328L325-T327 VanDerWaalsContact C-N 3.26Å; L325-T327 PolarHBondContact O-N 2.8Å; L325-L328 HydrophobicContact CD2-CD1 4.22Å
326S42.5Very low41Very low56 Ų56126.3 Ų126.339%0.39266%0.662SS.*Hα-helixtrans-64.7-25.9174.374.10000114.1D324 K330D324-S326 VanDerWaalsContact CG-CB 3.46Å; D324-S326 PolarHBondContact O-N 3.39Å; D324-S326 VanDerWaalsContact O-N 3.09Å; D324-S326 VanDerWaalsContact OD1-CB 3.22Å; D324-S326 WeakPolarHBondContact OD1-CB 3.21Å; D324-S326 PolarHBondContact OD1-N 2.83Å; D324-S326 VanDerWaalsContact OD1-N 3.08Å; D324-S326 PolarHBondContact OD1-OG 3.03Å; D324-S326 VanDerWaalsContact OD2-CB 3.31Å; D324-S326 WeakPolarHBondContact OD2-CB 3.43Å; D324-S326 PolarHBondContact OD2-OG 2.71Å; S326-K330 PolarHBondContact O-N 3.45Å
327T42.3Very low41.3Very low96 Ų96127 Ų12759%0.58966%0.661SS**Hα-helixtrans-70.3-37.7-178.951.10000112.9D324 L325 R329 K330 A331D324-T327 PolarHBondContact O-OG1 2.94Å; L325-T327 VanDerWaalsContact C-N 3.26Å; L325-T327 PolarHBondContact O-N 2.8Å; T327-R329 PolarHBondContact O-N 3.49Å; T327-K330 PolarHBondContact O-N 2.03Å; T327-A331 PolarHBondContact O-N 2.97Å
328L39.2Very low41.3Very low126 Ų126128.2 Ų128.266%0.6666%0.661SS**Hα-helixtrans-64.4-26.1-179.1-124169.4000112.9L325L325-L328 HydrophobicContact CD2-CD1 4.22Å
329R42.7Very low41.3Very low176 Ų176129.3 Ų129.366%0.66467%0.668SS**Hα-helixtrans-83.5-42.9174.5-174.6171.8168.5178.4-5.6112.3T327 R332 E333T327-R329 PolarHBondContact O-N 3.49Å; R329-R332 PolarHBondContact O-N 2.92Å; R329-E333 WeakPolarHBondContact CG-OE1 3.29Å; R329-E333 IonicContact CZ-OE1 3.45Å; R329-E333 IonicContact NE-OE1 2.78Å; R329-E333 PolarHBondContact NE-OE1 3.08Å; R329-E333 IonicContact NH2-OE1 3.2Å; R329-E333 PolarHBondContact NH2-OE1 2.9Å; R329-E333 WeakPolarHBondContact O-CG 3.43Å; R329-E333 PolarHBondContact O-N 3.02Å
330K45.5Very low41.7Very low158 Ų158130.2 Ų130.269%0.68767%0.669SS**Hα-helixtrans-66.3-37.7178.3-92.2-176.6172.5179.30113.6S326 T327 R332 E333 A334S326-K330 PolarHBondContact O-N 3.45Å; T327-K330 PolarHBondContact O-N 2.03Å; K330-R332 VanDerWaalsContact C-N 3.32Å; K330-R332 PolarHBondContact O-N 2.93Å; K330-E333 PolarHBondContact O-N 2.89Å; K330-A334 WeakPolarHBondContact O-CB 3.42Å; K330-A334 PolarHBondContact O-N 3.31Å
331A42Very low42.2Very low66 Ų66124.1 Ų124.155%0.54566%0.655SS.*Hα-helixtrans-63.6-38.617600000111.9T327 A335T327-A331 PolarHBondContact O-N 2.97Å; A331-A335 WeakPolarHBondContact O-CB 3.33Å; A331-A335 PolarHBondContact O-N 3.27Å
332R44.2Very low42.2Very low191 Ų191126 Ų12672%0.72166%0.664SS**Hα-helixtrans-71.3-39.5178.4-164.5173.1-171.3161.44.3112.7R329 K330 Q336R329-R332 PolarHBondContact O-N 2.92Å; K330-R332 VanDerWaalsContact C-N 3.32Å; K330-R332 PolarHBondContact O-N 2.93Å; R332-Q336 PolarHBondContact O-N 2.76Å
333E45.3Very low42.5Very low94 Ų94127 Ų12744%0.43966%0.664SS.*Hα-helixtrans-69-34.1175.5-71.4171.5-178.300111.7R329 K330R329-E333 WeakPolarHBondContact CG-OE1 3.29Å; R329-E333 IonicContact CZ-OE1 3.45Å; R329-E333 IonicContact NE-OE1 2.78Å; R329-E333 PolarHBondContact NE-OE1 3.08Å; R329-E333 IonicContact NH2-OE1 3.2Å; R329-E333 PolarHBondContact NH2-OE1 2.9Å; R329-E333 WeakPolarHBondContact O-CG 3.43Å; R329-E333 PolarHBondContact O-N 3.02Å; K330-E333 PolarHBondContact O-N 2.89Å
334A45.2Very low42.9Very low51 Ų51129.2 Ų129.242%0.42167%0.672SS.*Hα-helixtrans-72.6-42.9174.900000113.4K330 Q336 Q337 N338K330-A334 WeakPolarHBondContact O-CB 3.42Å; K330-A334 PolarHBondContact O-N 3.31Å; A334-Q336 PolarHBondContact O-N 3.06Å; A334-Q337 PolarHBondContact O-N 2.99Å; A334-Q337 VanDerWaalsContact O-N 3.13Å; A334-N338 PolarHBondContact O-N 3.38Å
335A45.7Very low42.8Very low69 Ų69131.7 Ų131.757%0.5768%0.678SS**Hα-helixtrans-61.4-30.6176.600000112.6A331A331-A335 WeakPolarHBondContact O-CB 3.33Å; A331-A335 PolarHBondContact O-N 3.27Å
336Q45.3Very low42.9Very low152 Ų152134 Ų13471%0.7169%0.685SS**Hα-helixtrans-77.1-17.4177.3-115.7174.7-30.200114.4R332 A334R332-Q336 PolarHBondContact O-N 2.76Å; A334-Q336 PolarHBondContact O-N 3.06Å
337Q44.6Very low43.1Very low166 Ų166137.8 Ų137.878%0.77670%0.697SS**Hα-helixtrans-88.5-24.4175.6-74.4-168.4-34.800113.7A334 S339A334-Q337 PolarHBondContact O-N 2.99Å; A334-Q337 VanDerWaalsContact O-N 3.13Å; Q337-S339 VanDerWaalsContact C-N 3.34Å
338N42.2Very low43.2Very low140 Ų140140 Ų14075%0.74970%0.701SS**SBendtrans-86.8-3.1177.2-68.5-6000113.4A334 M340A334-N338 PolarHBondContact O-N 3.38Å; N338-M340 PolarHBondContact O-N 3.17Å
339S41.9Very low43.6Very low102 Ų102141.8 Ų141.871%0.71371%0.705SS**  trans-78.634178.2-167.70000113.7Q337Q337-S339 VanDerWaalsContact C-N 3.34Å
340M46Very low43.8Very low185 Ų185141.1 Ų141.191%0.91171%0.71SS**SBendtrans-137.553.4178-161.170.8-176.300111.2N338N338-M340 PolarHBondContact O-N 3.17Å
341G42.3Very low43.9Very low62 Ų62140.4 Ų140.464%0.63971%0.709SS**SBendtrans179.1102.4177.500000115
342E37.5Very low44.3Very low205 Ų205143 Ų14396%0.95871%0.714SS**  trans70.9167.3151-54.8-167.6129.900119.9
343Q44Very low44.7Very low189 Ų189139.2 Ų139.288%0.88371%0.707SS**  trans-112.2158.3-161.3-62.1171.1-7400112.6
344K41.3Very low45.1Very low200 Ų200138.5 Ų138.587%0.8771%0.712SS**  trans78.9113.6169.2-60.9175.1168.2-179.80117.7
345K36.3Very low45.4Very low142 Ų142141.7 Ų141.762%0.61772%0.722SS**  -177.8140.8108.9-100.7-178.3169.4-128.30109.9E347K345-E347 IonicContact NZ-OE2 2.75Å; K345-E347 PolarHBondContact NZ-OE2 3.13Å
346E44.7Very low45.7Very low188 Ų188141.3 Ų141.388%0.87972%0.719SS**SBendtrans-102.80.9174.7-69.3175.4155.800112.3
347E47.5Very low46Very low135 Ų135141.8 Ų141.863%0.63172%0.715SS**SBendtrans-81.9-20.7-175.4-65.4174.2147.200114K345K345-E347 IonicContact NZ-OE2 2.75Å; K345-E347 PolarHBondContact NZ-OE2 3.13Å
348E43.2Very low46.4Very low143 Ų143137 Ų13767%0.66870%0.704SS**Hα-helixtrans-83.8-18.6-174.3-70.3-179163.400113.8
349E47.4Very low46.6Very low163 Ų163134.8 Ų134.876%0.76271%0.705SS**Hα-helixtrans-76.5-24.3-178.7-67.6-164.7155.500113.9L353E349-L353 WeakPolarHBondContact O-CG 3.17Å
350E47.9Very low47.1Very low162 Ų162139.3 Ų139.376%0.75771%0.706SS**Hα-helixtrans-76.2-34.8176.6-77.1-155133.600113.1S354E350-S354 PolarHBondContact O-N 3.07Å
351E47.5Very low46.9Very low143 Ų143133.7 Ų133.767%0.66870%0.696SS**Hα-helixtrans-67.9-41.9-177.9-65.9-162.7149.800111.6L353 S354 L355E351-L353 PolarHBondContact O-N 2.93Å; E351-S354 PolarHBondContact O-N 2.96Å; E351-S354 PolarHBondContact O-OG 2.66Å; E351-L355 PolarHBondContact O-N 2.93Å
352D50.4Low46.9Very low121 Ų121138.4 Ų138.465%0.64770%0.699SS**Hα-helixtrans-67-36.5-178.9-113.60.6000112.8S354 L355 A356D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 2.75Å; D352-L355 PolarHBondContact O-N 3.46Å; D352-A356 PolarHBondContact O-N 3.17Å
353L53Low47.1Very low112 Ų112132.6 Ų132.659%0.58669%0.686SS**Hα-helixtrans-62.3-38.4174.1-74.2171.2000111.6E349 E351 L355 A356 Y357E349-L353 WeakPolarHBondContact O-CG 3.17Å; E351-L353 PolarHBondContact O-N 2.93Å; L353-L355 PolarHBondContact O-N 3.02Å; L353-A356 PolarHBondContact O-N 3.34Å; L353-Y357 WeakPolarHBondContact O-CD2 3.41Å; L353-Y357 PolarHBondContact O-N 3.03Å
354S52.4Low47.1Very low78 Ų78134.9 Ų134.955%0.54569%0.687SS.*Hα-helixtrans-69.8-32.7-176.9730000113.1E350 E351 D352 A358E350-S354 PolarHBondContact O-N 3.07Å; E351-S354 PolarHBondContact O-N 2.96Å; E351-S354 PolarHBondContact O-OG 2.66Å; D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 2.75Å; S354-A358 PolarHBondContact O-N 2.83Å
355L51.8Low47.1Very low119 Ų119134.8 Ų134.862%0.62368%0.683SS**Hα-helixtrans-68.3-39.7171.3-74.2169.4000112.5E351 D352 L353 Y357 A358E351-L355 PolarHBondContact O-N 2.93Å; D352-L355 PolarHBondContact O-N 3.46Å; L353-L355 PolarHBondContact O-N 3.02Å; L355-Y357 VanDerWaalsContact C-N 3.26Å; L355-Y357 PolarHBondContact O-N 2.95Å; L355-A358 PolarHBondContact O-N 2.85Å
356A53Low47.4Very low60 Ų60133.7 Ų133.750%0.49669%0.69SS.*Hα-helixtrans-63.8-28.5178.900000113.5D352 L353D352-A356 PolarHBondContact O-N 3.17Å; L353-A356 PolarHBondContact O-N 3.34Å
357Y51.9Low47.2Very low162 Ų162133.2 Ų133.264%0.63569%0.69SS**Hα-helixtrans-77.1-34.3174.6-87.3-80.5000113.4L353 L355 A359 R360L353-Y357 WeakPolarHBondContact O-CD2 3.41Å; L353-Y357 PolarHBondContact O-N 3.03Å; L355-Y357 VanDerWaalsContact C-N 3.26Å; L355-Y357 PolarHBondContact O-N 2.95Å; Y357-A359 VanDerWaalsContact C-N 3.3Å; Y357-A359 PolarHBondContact O-N 3.07Å; Y357-R360 PolarHBondContact O-N 2.85Å
358A51.6Low46.9Very low65 Ų65131.6 Ų131.654%0.53769%0.689SS.*Hα-helixtrans-62.1-37.2179.400000112.4S354 L355 R360 G361S354-A358 PolarHBondContact O-N 2.83Å; L355-A358 PolarHBondContact O-N 2.85Å; A358-R360 PolarHBondContact O-N 3.28Å; A358-R360 VanDerWaalsContact O-N 3.1Å; A358-G361 PolarHBondContact O-N 3.04Å
359A47Very low46.4Very low94 Ų94128.1 Ų128.178%0.77769%0.691SS**THydrogen-bonded Turntrans-64.3-11.7178.100000114.8Y357Y357-A359 VanDerWaalsContact C-N 3.3Å; Y357-A359 PolarHBondContact O-N 3.07Å
360R52.7Low46Very low197 Ų197128.8 Ų128.874%0.74369%0.688SS**THydrogen-bonded Turntrans-92.45.5176.1-90.4-174.1170.7113.8-4114.8Y357 A358 F362Y357-R360 PolarHBondContact O-N 2.85Å; A358-R360 PolarHBondContact O-N 3.28Å; A358-R360 VanDerWaalsContact O-N 3.1Å; R360-F362 HydrophobicContact CB-CD2 4.32Å
361G40.9Very low45.5Very low67 Ų67129 Ų12969%0.69169%0.692SS**THydrogen-bonded Turntrans86.18.1173.700000115.6A358 A363A358-G361 PolarHBondContact O-N 3.04Å; G361-A363 PolarHBondContact O-N 2.84Å
362F43.8Very low44.9Very low161 Ų161130.9 Ų130.971%0.70670%0.695SS**  trans-89.885.4172.5-68-79.2000110.7R360 R364R360-F362 HydrophobicContact CB-CD2 4.32Å; F362-R364 PolarHBondContact O-N 3.16Å; F362-R364 VanDerWaalsContact O-N 3.09Å
363A40.4Very low44.2Very low84 Ų84134.2 Ų134.269%0.69470%0.704SS**  trans-68.5103.6169.800000110G361 Y365G361-A363 PolarHBondContact O-N 2.84Å; A363-Y365 PolarHBondContact O-N 2.82Å
364R44Very low43.6Very low236 Ų236134.9 Ų134.989%0.89171%0.712SS**  trans-67.2109.9161.7-92.6-176.3171166.3-2.5107.9F362F362-R364 PolarHBondContact O-N 3.16Å; F362-R364 VanDerWaalsContact O-N 3.09Å
365Y42.2Very low42.8Very low199 Ų199137.7 Ų137.778%0.7872%0.721SS**  trans-58.9136.9162.9-67.8-83.7000109A363 M367A363-Y365 PolarHBondContact O-N 2.82Å; Y365-M367 PolarHBondContact O-N 3.27Å; Y365-M367 VanDerWaalsContact O-N 3.12Å
366P42Very low42Very low118 Ų118136.2 Ų136.277%0.76672%0.72SS**  trans-65.4114.1178.625.6-32.9000110V368P366-V368 PolarHBondContact O-N 3.15Å
367M39.7Very low41.6Very low179 Ų179140.1 Ų140.188%0.88274%0.738SS**SBendtrans-77.924.2179.3-60.6-167.3-151.700113.7Y365Y365-M367 PolarHBondContact O-N 3.27Å; Y365-M367 VanDerWaalsContact O-N 3.12Å
368V41.8Very low41Very low101 Ų101136.6 Ų136.661%0.61274%0.737SS**  trans-135.994.1178.7-170.90000109.4P366 Y370P366-V368 PolarHBondContact O-N 3.15Å; V368-Y370 HydrophobicContact CG1-CD2 4.27Å; V368-Y370 HydrophobicContact CG1-CE2 3.74Å
369G32.5Very low40.7Very low69 Ų69138.8 Ų138.871%0.71175%0.748SS**  trans-106.6120.916500000109.7I371G369-I371 PolarHBondContact O-N 3.07Å
370Y39.9Very low40.4Very low177 Ų177143.5 Ų143.569%0.69476%0.755SS**  trans-82.2110.5172.8-70.4-81.3000110.1V368 Y372V368-Y370 HydrophobicContact CG1-CD2 4.27Å; V368-Y370 HydrophobicContact CG1-CE2 3.74Å; Y370-Y372 HydrophobicContact CG-CE2 4.47Å; Y370-Y372 WeakPolarHBondContact O-CD2 3.23Å; Y370-Y372 PolarHBondContact O-N 2.87Å
371I36.5Very low39.9Very low166 Ų166142.4 Ų142.485%0.85176%0.758SS**  trans-8096.4173.6-56.6176.7000108.7G369 K373G369-I371 PolarHBondContact O-N 3.07Å; I371-K373 PolarHBondContact O-N 2.87Å
372Y34.6Very low39.4Very low184 Ų184146.4 Ų146.472%0.72276%0.762SS**  trans-80.4104.7170.9-67.3-80000110.2Y370 V374Y370-Y372 HydrophobicContact CG-CE2 4.47Å; Y370-Y372 WeakPolarHBondContact O-CD2 3.23Å; Y370-Y372 PolarHBondContact O-N 2.87Å; Y372-V374 PolarHBondContact O-N 3.05Å
373K36.1Very low38.8Very low191 Ų191150 Ų15083%0.8377%0.771SS**  trans-72.189.5170.8-173.1-180-179.8177.50110.1I371I371-K373 PolarHBondContact O-N 2.87Å
374V41.2Very low38.5Very low125 Ų125157.3 Ų157.376%0.75880%0.797SS**  trans-74.8132.2168-161.80000108.5Y372 S376Y372-V374 PolarHBondContact O-N 3.05Å; V374-S376 PolarHBondContact O-N 2.99Å
375N34.6Very low38.2Very low138 Ų138153.4 Ų153.474%0.73879%0.792SS**  trans-79.683.5-174.7-162.547.4000111
376S36.1Very low38Very low87 Ų87151 Ų15161%0.60879%0.793SS**  trans-80.3132.2173.3-170.40000111.1V374 S378V374-S376 PolarHBondContact O-N 2.99Å; S376-S378 PolarHBondContact OG-OG 3.5Å
377T44.4Very low37.8Very low143 Ų143152.8 Ų152.888%0.87780%0.795SS**  trans-92.710.1-17946.20000114
378S39.7Very low37.7Very low88 Ų88151.3 Ų151.362%0.61579%0.789SS**SBendtrans-109.6126.8173.462.70000111.5S376 E380S376-S378 PolarHBondContact OG-OG 3.5Å; S378-E380 PolarHBondContact O-N 3.42Å
379S45.2Very low37.4Very low110 Ų110154.4 Ų154.477%0.76980%0.8SS**  trans-60.7121.3172.349.50000112.6
380E40.4Very low37.7Very low194 Ų194160.1 Ų160.191%0.90781%0.806SS**  trans-171.7152.5130.6-104.1164.5-158.700110.1S378S378-E380 PolarHBondContact O-N 3.42Å
381E42.2Very low37.6Very low173 Ų173158.9 Ų158.981%0.80881%0.814SS**  trans-79.7139.2-174.3-53.9175.5135.600111.8
382I30.8Very low37.6Very low152 Ų152158.4 Ų158.478%0.77981%0.812SS**  trans-143.9126.5140.5-53.7-177.7000108.1L384I382-L384 HydrophobicContact CG2-CG 4.33Å
383W31.6Very low37.9Very low237 Ų237156.3 Ų156.390%0.89882%0.819SS**  trans-107.8131.8161.6-63.993.8000108.6
384L32.7Very low38.1Very low237 Ų237153.1 Ų153.1100%1.24182%0.818SS**  trans-127.30167-84.1171.4000108.1I382I382-L384 HydrophobicContact CG2-CG 4.33Å

Retrieved 384 of 384 residues in 286.8 ms (Link to these results)