A0A087X457_POEFO Loading...

Meiosis 1 associated protein

AlphaFold DB , UniProt , Accession A0A087X457, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low30.2Very low234 Ų234170.4 Ų170.4100%1.15387%0.87SS**  0114.30-78.317317400106.5
2D32.2Very low29.8Very low165 Ų165166.3 Ų166.388%0.88287%0.869SS**  trans164.895.5142.1-83.1-20.1000108.6
3N27.7Very low29.4Very low172 Ų172160.7 Ų160.792%0.9286%0.861SS**  trans-88.4118.9178.5-99.7-22.9000109.7K5N3-K5 PolarHBondContact O-N 3.49Å
4R36.6Very low29.2Very low226 Ų226154.7 Ų154.785%0.85386%0.856SS**  trans-47124160.2-108172.2173170.80110.9
5K32.4Very low28.8Very low205 Ų205151.1 Ų151.189%0.89185%0.846SS**  trans-121.1112155.7-109.5177177.51780108.6N3N3-K5 PolarHBondContact O-N 3.49Å
6R31.1Very low28.8Very low229 Ų229150.4 Ų150.486%0.86484%0.839SS**  trans-72.3135.5164.1-74.7177.9178.5167.2-1.3108.1
7Q26.7Very low28.5Very low187 Ų187147.2 Ų147.287%0.87482%0.824SS**  trans-116.5151.1162.1-94.6-173.7-28.300110.1
8P25.7Very low28.4Very low113 Ų113148.9 Ų148.973%0.73482%0.821SS**  trans-89.6157.4-163.635.5-30.5000112.7S10P8-S10 PolarHBondContact O-N 2.77Å
9S30.2Very low28.3Very low125 Ų125150.7 Ų150.787%0.87482%0.815SS**  trans-54.2114.6173.448.80000112.8
10S25.3Very low28.3Very low102 Ų102149.5 Ų149.571%0.71382%0.818SS**  trans-108.2112.1166.5620000110.3P8P8-S10 PolarHBondContact O-N 2.77Å
11S28.5Very low28.4Very low116 Ų116144.5 Ų144.581%0.81179%0.794SS**  trans23.2100141.546.10000116.6A13S11-A13 PolarHBondContact O-N 2.74Å
12S25.5Very low28.3Very low122 Ų122138.2 Ų138.285%0.85377%0.773SS**  trans-65.9114.2171.356.30000110.5
13A24.6Very low28.7Very low93 Ų93132.7 Ų132.777%0.76974%0.743SS**  trans-49.3140.2167.200000111.6S11 S15S11-A13 PolarHBondContact O-N 2.74Å; A13-S15 PolarHBondContact O-N 3.18Å
14G25.7Very low29.8Very low77 Ų77127.7 Ų127.779%0.79472%0.72SS**  trans-55.5109.6-179.100000111.9L16G14-L16 PolarHBondContact O-N 3.29Å; G14-L16 VanDerWaalsContact O-N 3.11Å
15S23.4Very low31Very low101 Ų101122.7 Ų122.771%0.70670%0.701SS**  trans-65107.2161.6175.20000107.4A13 V17A13-S15 PolarHBondContact O-N 3.18Å; S15-V17 PolarHBondContact O-N 3.16Å
16L28.8Very low33Very low140 Ų140114.9 Ų114.973%0.73367%0.668SS**  trans-64.782.6166.5-119.9125.3000107.5G14 F18G14-L16 PolarHBondContact O-N 3.29Å; G14-L16 VanDerWaalsContact O-N 3.11Å; L16-F18 HydrophobicContact CD2-CD2 4.47Å; L16-F18 HydrophobicContact CD2-CE2 4.14Å; L16-F18 PolarHBondContact O-N 3.23Å; L16-F18 VanDerWaalsContact O-N 3.07Å
17V23.9Very low35.5Very low95 Ų95104.2 Ų104.258%0.57663%0.628SS**  trans-68.8105.7167.3-178.80000105.5S15 W19S15-V17 PolarHBondContact O-N 3.16Å; V17-W19 PolarHBondContact O-N 3.32Å
18F25.7Very low38.6Very low178 Ų17895.5 Ų95.578%0.78159%0.588SS**  trans-63.4104.4164.4-95.3-97.2000107.1L16 S20L16-F18 HydrophobicContact CD2-CD2 4.47Å; L16-F18 HydrophobicContact CD2-CE2 4.14Å; L16-F18 PolarHBondContact O-N 3.23Å; L16-F18 VanDerWaalsContact O-N 3.07Å; F18-S20 VanDerWaalsContact C-N 3.32Å; F18-S20 PolarHBondContact O-N 3.49Å
19W27.1Very low41.9Very low184 Ų18490.7 Ų90.770%0.69756%0.556SS**  trans-71.998.2165.6-7449.5000106.1V17 S21V17-W19 PolarHBondContact O-N 3.32Å; W19-S21 PolarHBondContact O-N 3.12Å
20S27.8Very low45.1Very low125 Ų12584.8 Ų84.887%0.87451%0.514SS*.  trans-69.464.8161.441.60000108.7F18F18-S20 VanDerWaalsContact C-N 3.32Å; F18-S20 PolarHBondContact O-N 3.49Å
21S30.5Very low48.6Very low45 Ų4580 Ų8032%0.31548%0.48SS..  trans-81.2119.5169.257.50000107.8W19 L23W19-S21 PolarHBondContact O-N 3.12Å; S21-L23 PolarHBondContact O-N 2.65Å; S21-L23 WeakPolarHBondContact OG-CD1 3.41Å
22S34.9Very low51.9Low103 Ų10374.4 Ų74.472%0.7244%0.442SS*.  trans-62.664.1167.453.90000111.2
23L41Very low55.3Low49 Ų4968.7 Ų68.726%0.25740%0.401SS..  trans-68.7141.4167.5-82.2156000108.6S21 R25 P64 R297S21-L23 PolarHBondContact O-N 2.65Å; S21-L23 WeakPolarHBondContact OG-CD1 3.41Å; L23-R25 PolarHBondContact O-N 3.14Å; L23-P64 HydrophobicContact CD1-CB 3.81Å; L23-P64 HydrophobicContact CD2-CB 4Å; L23-P64 HydrophobicContact CG-CB 4.04Å; L23-R297 VanDerWaalsContact CD2-CZ 3.46Å
24P50.3Low58.6Low67 Ų6764.7 Ų64.744%0.43537%0.367SS..  trans-53.6125.6149.8-5.117.6000106.7Q26P24-Q26 PolarHBondContact O-N 3.45Å
25R61.1Low61.8Low121 Ų12161.1 Ų61.146%0.45733%0.33SS..  trans-56.2102.1-172.5-72.6178.1175.4170-0.9109.8L23 N148L23-R25 PolarHBondContact O-N 3.14Å; R25-N148 PolarHBondContact NH1-OD1 3.23Å
26Q74.4Confident64.8Low41 Ų4157.3 Ų57.319%0.19230%0.301CS..PPolyproline II helixtrans-71.6134.4173.8-74.9-179-29.600109.7P24 C65 R66 P68P24-Q26 PolarHBondContact O-N 3.45Å; Q26-C65 PolarHBondContact OE1-O 2.98Å; Q26-R66 PolarHBondContact NE2-O 2.82Å; Q26-R66 PolarHBondContact OE1-O 2.63Å; Q26-P68 HydrophobicContact CB-CG 4.28Å; Q26-P68 WeakPolarHBondContact O-CG 3.31Å
27A84.7Confident67.3Low4 Ų452.2 Ų52.23%0.03328%0.277CS..PPolyproline II helixtrans-66.4146.5179.900000111S150 E152A27-S150 WeakPolarHBondContact CA-O 3.47Å; A27-E152 HydrophobicContact CB-CB 4.43Å; A27-E152 HydrophobicContact CB-CG 3.77Å
28A91.8Very high69.9Low4 Ų452.5 Ų52.53%0.03328%0.28CS..EExtended strand (participates in β ladder)trans-64.9147.916500000109.7L69 F85 F132 S150 V151 E152A28-L69 HydrophobicContact CB-CB 3.86Å; A28-L69 HydrophobicContact CB-CD1 4.29Å; A28-F85 HydrophobicContact CB-CD1 4.37Å; A28-F85 HydrophobicContact CB-CE1 3.86Å; A28-F132 HydrophobicContact CB-CD2 4.06Å; A28-F132 HydrophobicContact CB-CE2 3.52Å; A28-F132 HydrophobicContact CB-CZ 4.3Å; A28-S150 PolarHBondContact N-O 3.24Å; A28-V151 HydrophobicContact CB-CG2 4.37Å; A28-V151 WeakPolarHBondContact O-CA 3.4Å; A28-E152 PolarHBondContact O-N 3.15Å
29R94.9Very high72.7Confident13 Ų1344.6 Ų44.65%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-106.7135.4-177.9-62.8-68.5176.4-178.7-14.8110.4I67 L69 L70 S71 E152 W242R29-I67 HydrophobicContact CB-CG2 4.16Å; R29-I67 HydrophobicContact CG-CG2 3.64Å; R29-L69 PolarHBondContact N-O 3.28Å; R29-L70 HydrophobicContact CB-CD1 3.84Å; R29-L70 CarbonylContact O-C 3.59Å; R29-L70 VanDerWaalsContact O-CA 3.32Å; R29-L70 WeakPolarHBondContact O-CA 3.36Å; R29-S71 PolarHBondContact O-N 3.38Å; R29-E152 IonicContact CZ-OE2 3.47Å; R29-E152 VanDerWaalsContact NH1-CD 3.35Å; R29-E152 IonicContact NH1-OE2 3.64Å; R29-E152 PolarHBondContact NH1-OE2 3.36Å; R29-E152 IonicContact NH2-OE1 3.83Å; R29-E152 PolarHBondContact NH2-OE1 3.23Å; R29-E152 IonicContact NH2-OE2 2.85Å; R29-E152 PolarHBondContact NH2-OE2 3.21Å; R29-W242 HydrophobicContact CB-CE3 4.29Å; R29-W242 HydrophobicContact CB-CZ3 4.45Å; R29-W242 HydrophobicContact CG-CD2 4.24Å; R29-W242 HydrophobicContact CG-CE3 4.14Å; R29-W242 HydrophobicContact CG-CG 4.43Å
30V97.9Very high75.7Confident0 Ų036 Ų360%022%0.216CC..EExtended strand (participates in β ladder)trans-120.5127.3168.5178.70000108.1I32 S71 Y73 F85 V151 E152 V153 T154V30-I32 HydrophobicContact CG1-CD1 4.38Å; V30-I32 HydrophobicContact CG1-CG1 3.88Å; V30-S71 WeakPolarHBondContact CA-O 3.29Å; V30-Y73 HydrophobicContact CG1-CD2 4.08Å; V30-Y73 HydrophobicContact CG1-CE2 4.39Å; V30-F85 HydrophobicContact CG2-CE1 3.85Å; V30-F85 HydrophobicContact CG2-CE2 4.47Å; V30-F85 HydrophobicContact CG2-CZ 3.46Å; V30-F85 VanDerWaalsContact CG2-CZ 3.46Å; V30-V151 HydrophobicContact CB-CG1 4.41Å; V30-V151 HydrophobicContact CG2-CG1 3.54Å; V30-E152 PolarHBondContact N-O 2.93Å; V30-V153 HydrophobicContact CB-CB 4.42Å; V30-V153 HydrophobicContact CB-CG1 4.35Å; V30-V153 HydrophobicContact CB-CG2 4.02Å; V30-V153 HydrophobicContact CG1-CG1 4.31Å; V30-V153 HydrophobicContact CG2-CG2 4.36Å; V30-V153 WeakPolarHBondContact O-CA 3.38Å; V30-T154 PolarHBondContact O-N 3.21Å
31L98.4Very high78.6Confident1 Ų132.6 Ų32.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-106.7122.9170-176.762.2000109.1V33 L51 S71 L72 Y73 T154 V156 W242L31-V33 HydrophobicContact CD2-CG2 4.12Å; L31-V33 HydrophobicContact CG-CG2 3.93Å; L31-L51 HydrophobicContact CD2-CD1 3.99Å; L31-L51 HydrophobicContact CD2-CD2 3.67Å; L31-L51 HydrophobicContact CD2-CG 4.41Å; L31-S71 PolarHBondContact N-O 3.02Å; L31-L72 HydrophobicContact CB-CG 4.35Å; L31-L72 HydrophobicContact CD2-CD1 3.96Å; L31-L72 HydrophobicContact CD2-CG 4.42Å; L31-L72 CarbonylContact O-C 3.52Å; L31-L72 WeakPolarHBondContact O-CA 3.26Å; L31-Y73 PolarHBondContact O-N 3.04Å; L31-T154 CarbonylContact C-O 3.54Å; L31-T154 WeakPolarHBondContact CA-O 3.41Å; L31-T154 HydrophobicContact CD1-CG2 4.26Å; L31-V156 HydrophobicContact CD1-CG2 3.64Å; L31-W242 HydrophobicContact CB-CH2 4.12Å; L31-W242 HydrophobicContact CD1-CH2 4.13Å; L31-W242 HydrophobicContact CD1-CZ2 4.36Å; L31-W242 HydrophobicContact CD2-CH2 4.45Å; L31-W242 HydrophobicContact CG-CH2 4.47Å
32I98.1Very high81.4Confident0 Ų035.8 Ų35.80%021%0.206CC..EExtended strand (participates in β ladder)trans-113.2120.4173.7-53.3-179.9000107.3V30 Y73 I75 L121 A124 V125 V153 T154 V155 V156V30-I32 HydrophobicContact CG1-CD1 4.38Å; V30-I32 HydrophobicContact CG1-CG1 3.88Å; I32-Y73 CarbonylContact C-O 3.52Å; I32-Y73 WeakPolarHBondContact CA-O 3.11Å; I32-I75 HydrophobicContact CG2-CD1 3.73Å; I32-I75 HydrophobicContact CG2-CG1 4.27Å; I32-L121 HydrophobicContact CG2-CD2 3.88Å; I32-A124 HydrophobicContact CD1-CB 3.97Å; I32-A124 HydrophobicContact CG2-CB 3.92Å; I32-V125 HydrophobicContact CD1-CB 4.35Å; I32-V125 HydrophobicContact CD1-CG2 3.61Å; I32-V153 HydrophobicContact CD1-CG1 3.69Å; I32-V153 HydrophobicContact CG1-CG1 4.12Å; I32-T154 PolarHBondContact N-O 2.91Å; I32-V155 HydrophobicContact CB-CG2 4.27Å; I32-V155 HydrophobicContact CD1-CG2 4.41Å; I32-V155 CarbonylContact O-C 3.58Å; I32-V155 VanDerWaalsContact O-CA 3.31Å; I32-V155 WeakPolarHBondContact O-CA 3.46Å; I32-V156 PolarHBondContact O-N 2.93Å
33V96.9Very high84.1Confident1 Ų131.3 Ų31.31%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-108.5119.2-177.8-175.40000109.5L31 A35 W40 L47 Y73 A74 I75 L102L31-V33 HydrophobicContact CD2-CG2 4.12Å; L31-V33 HydrophobicContact CG-CG2 3.93Å; V33-A35 PolarHBondContact O-N 3.21Å; V33-W40 HydrophobicContact CG1-CE3 4.21Å; V33-W40 HydrophobicContact CG1-CH2 3.83Å; V33-W40 HydrophobicContact CG1-CZ3 3.44Å; V33-W40 VanDerWaalsContact CG1-CZ3 3.44Å; V33-L47 HydrophobicContact CB-CD2 4.27Å; V33-L47 HydrophobicContact CG1-CD2 3.46Å; V33-L47 VanDerWaalsContact CG1-CD2 3.46Å; V33-L47 HydrophobicContact CG2-CD2 3.74Å; V33-Y73 PolarHBondContact N-O 3.28Å; V33-A74 CarbonylContact O-C 3.5Å; V33-A74 WeakPolarHBondContact O-CA 3.13Å; V33-I75 PolarHBondContact O-N 3.01Å; V33-L102 HydrophobicContact CB-CD1 4.12Å; V33-L102 HydrophobicContact CG1-CD1 4.08Å; V33-L102 HydrophobicContact CG2-CD1 4.36Å; V33-L102 HydrophobicContact CG2-CD2 4.13Å
34E93.4Very high86.7Confident10 Ų1029.8 Ų29.85%0.04717%0.168CC..EExtended strand (participates in β ladder)trans-80.293.2169.6-170.5-174.8-130.800109.8L36 V156 T157 Q159E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 HydrophobicContact CG-CB 4.13Å; E34-L36 HydrophobicContact CG-CD1 3.69Å; E34-L36 HydrophobicContact CG-CG 3.75Å; E34-L36 PolarHBondContact O-N 3.04Å; E34-L36 WeakPolarHBondContact OE1-CD1 3.3Å; E34-V156 WeakPolarHBondContact CB-O 3.32Å; E34-V156 PolarHBondContact N-O 2.98Å; E34-T157 WeakPolarHBondContact OE2-CB 3.27Å; E34-T157 PolarHBondContact OE2-OG1 3.45Å; E34-Q159 WeakPolarHBondContact OE2-CG 3.32Å
35A91.8Very high88.8Confident1 Ų129.6 Ų29.61%0.00817%0.169CC..  trans-91.151.7178.800000111.3V33 W40 I75 I105V33-A35 PolarHBondContact O-N 3.21Å; A35-W40 HydrophobicContact CB-CD2 3.55Å; A35-W40 HydrophobicContact CB-CE3 3.97Å; A35-W40 HydrophobicContact CB-CG 3.81Å; A35-W40 HydrophobicContact CB-CZ2 4.21Å; A35-W40 HydrophobicContact CB-CZ3 4.47Å; A35-I75 CarbonylContact C-O 3.55Å; A35-I75 WeakPolarHBondContact CA-O 3.22Å; A35-I75 PolarHBondContact N-O 3.02Å; A35-I105 HydrophobicContact CB-CB 4.48Å; A35-I105 HydrophobicContact CB-CD1 4.03Å; A35-I105 HydrophobicContact CB-CG2 3.86Å
36L87.2Confident90.5Very high21 Ų2124.6 Ų24.611%0.1115%0.151CC..  trans-96.6135.2179.6-68.6178.7000112.1E34 G39 W40 S76E34-L36 VanDerWaalsContact C-N 3.26Å; E34-L36 HydrophobicContact CG-CB 4.13Å; E34-L36 HydrophobicContact CG-CD1 3.69Å; E34-L36 HydrophobicContact CG-CG 3.75Å; E34-L36 PolarHBondContact O-N 3.04Å; E34-L36 WeakPolarHBondContact OE1-CD1 3.3Å; L36-G39 PolarHBondContact O-N 3.43Å; L36-W40 PolarHBondContact O-N 3.42Å; L36-W40 VanDerWaalsContact O-N 3.11Å; L36-S76 WeakPolarHBondContact CD2-O 3.2Å
37P82.3Confident91.6Very high34 Ų3422.7 Ų22.722%0.22114%0.143CC..THydrogen-bonded Turntrans-63.3152.4170.3-22.233.2000113.1G107 S109P37-G107 VanDerWaalsContact CB-O 3.26Å; P37-G107 WeakPolarHBondContact CB-O 3.05Å; P37-G107 VanDerWaalsContact CG-O 3.3Å; P37-G107 WeakPolarHBondContact CG-O 3.44Å; P37-S109 WeakPolarHBondContact CG-OG 3.26Å
38P77.9Confident92.2Very high100 Ų10022.5 Ų22.565%0.64914%0.141SC*.THydrogen-bonded Turncis-83.3-16.7-5.232.9-34.5000113.7W40 S41P38-W40 VanDerWaalsContact C-N 3.26Å; P38-W40 PolarHBondContact O-N 3.47Å; P38-S41 PolarHBondContact O-N 2.93Å; P38-S41 VanDerWaalsContact O-N 3.14Å
39G83.6Confident92.5Very high12 Ų1225.6 Ų25.612%0.12416%0.157CC..Hα-helixtrans-62.6-27.5-170.300000114.8L36 S41 D42 T43 S158L36-G39 PolarHBondContact O-N 3.43Å; G39-S41 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 2.86Å; G39-D42 PolarHBondContact O-N 3.24Å; G39-T43 PolarHBondContact O-N 3.28Å; G39-T43 PolarHBondContact O-OG1 3.45Å; G39-S158 PolarHBondContact O-OG 3.14Å
40W90.4Very high92.7Very high3 Ų325 Ų251%0.01115%0.154CC..Hα-helixtrans-60.5-39.7175.4-176.2-123.1000113.2V33 A35 L36 P38 D42 T43 C44 L47 L102 I105V33-W40 HydrophobicContact CG1-CE3 4.21Å; V33-W40 HydrophobicContact CG1-CH2 3.83Å; V33-W40 HydrophobicContact CG1-CZ3 3.44Å; V33-W40 VanDerWaalsContact CG1-CZ3 3.44Å; A35-W40 HydrophobicContact CB-CD2 3.55Å; A35-W40 HydrophobicContact CB-CE3 3.97Å; A35-W40 HydrophobicContact CB-CG 3.81Å; A35-W40 HydrophobicContact CB-CZ2 4.21Å; A35-W40 HydrophobicContact CB-CZ3 4.47Å; L36-W40 PolarHBondContact O-N 3.42Å; L36-W40 VanDerWaalsContact O-N 3.11Å; P38-W40 VanDerWaalsContact C-N 3.26Å; P38-W40 PolarHBondContact O-N 3.47Å; W40-D42 PolarHBondContact O-N 2.71Å; W40-T43 PolarHBondContact O-N 2.99Å; W40-C44 HydrophobicContact CD2-CB 3.88Å; W40-C44 HydrophobicContact CE3-CB 4.24Å; W40-C44 HydrophobicContact CG-CB 4.45Å; W40-C44 HydrophobicContact CH2-CB 4.02Å; W40-C44 HydrophobicContact CZ2-CB 3.66Å; W40-C44 WeakPolarHBondContact CZ2-SG 3.39Å; W40-C44 HydrophobicContact CZ3-CB 4.29Å; W40-C44 WeakPolarHBondContact O-CB 3.48Å; W40-C44 PolarHBondContact O-N 3.05Å; W40-L47 HydrophobicContact CH2-CD2 4.13Å; W40-L47 HydrophobicContact CZ3-CD2 3.9Å; W40-L102 HydrophobicContact CH2-CD1 3.79Å; W40-L102 HydrophobicContact CH2-CD2 4.14Å; W40-L102 HydrophobicContact CH2-CG 3.72Å; W40-L102 HydrophobicContact CZ2-CD1 3.9Å; W40-L102 HydrophobicContact CZ2-CG 3.9Å; W40-L102 WeakPolarHBondContact CZ2-O 3.36Å; W40-I105 PolarHBondContact NE1-O 3.08Å; W40-I105 VanDerWaalsContact NE1-O 3.15Å
41S88.7Confident92.7Very high55 Ų5525.1 Ų25.139%0.38516%0.155SC..Hα-helixtrans-58.2-35.1179.3-630000112.5P38 G39 G107P38-S41 PolarHBondContact O-N 2.93Å; P38-S41 VanDerWaalsContact O-N 3.14Å; G39-S41 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 2.86Å; S41-G107 VanDerWaalsContact OG-CA 3.22Å; S41-G107 WeakPolarHBondContact OG-CA 3.49Å; S41-G107 PolarHBondContact OG-O 3.03Å
42D89.2Confident92.6Very high111 Ų11126.3 Ų26.359%0.59416%0.162SC*.Hα-helixtrans-86.5-21.5-176.4-62-28000113.1G39 W40 N230G39-D42 PolarHBondContact O-N 3.24Å; W40-D42 PolarHBondContact O-N 2.71Å; D42-N230 PolarHBondContact O-ND2 2.85Å
43T92.9Very high92.5Very high9 Ų930.3 Ų30.36%0.05518%0.183CC..Hα-helixtrans-112.7-15.1-171.857.30000113.9G39 W40 S45 V46 L47 S158 I188G39-T43 PolarHBondContact O-N 3.28Å; G39-T43 PolarHBondContact O-OG1 3.45Å; W40-T43 PolarHBondContact O-N 2.99Å; T43-S45 PolarHBondContact O-N 3.01Å; T43-V46 PolarHBondContact O-N 3.28Å; T43-L47 PolarHBondContact O-N 3.5Å; T43-S158 VanDerWaalsContact CG2-OG 3.31Å; T43-S158 WeakPolarHBondContact CG2-OG 3.31Å; T43-S158 PolarHBondContact OG1-OG 2.91Å; T43-I188 HydrophobicContact CG2-CB 3.97Å; T43-I188 HydrophobicContact CG2-CD1 4.29Å; T43-I188 HydrophobicContact CG2-CG2 3.59Å
44C95Very high92.5Very high17 Ų1730.3 Ų30.312%0.11518%0.183CC..Hα-helixtrans-55.6-52.5-177.1174.40000112.5W40 V46 L47 C48W40-C44 HydrophobicContact CD2-CB 3.88Å; W40-C44 HydrophobicContact CE3-CB 4.24Å; W40-C44 HydrophobicContact CG-CB 4.45Å; W40-C44 HydrophobicContact CH2-CB 4.02Å; W40-C44 HydrophobicContact CZ2-CB 3.66Å; W40-C44 WeakPolarHBondContact CZ2-SG 3.39Å; W40-C44 HydrophobicContact CZ3-CB 4.29Å; W40-C44 WeakPolarHBondContact O-CB 3.48Å; W40-C44 PolarHBondContact O-N 3.05Å; C44-V46 PolarHBondContact O-N 3.36Å; C44-L47 PolarHBondContact O-N 3.13Å; C44-C48 WeakPolarHBondContact O-CB 3.46Å; C44-C48 PolarHBondContact O-N 3.05Å; C44-C48 PolarHBondContact O-SG 3.47Å
45S95.1Very high92.6Very high64 Ų6430 Ų3045%0.44818%0.182SC..Hα-helixtrans-62.1-45.9179.753.90000111.5T43 L47 C48 D49T43-S45 PolarHBondContact O-N 3.01Å; S45-L47 PolarHBondContact O-N 3.4Å; S45-C48 PolarHBondContact O-N 2.92Å; S45-D49 VanDerWaalsContact O-CB 3.28Å; S45-D49 WeakPolarHBondContact O-CB 3.49Å; S45-D49 PolarHBondContact O-N 2.73Å
46V96.2Very high92.7Very high16 Ų1631.5 Ų31.510%0.09719%0.192CC..Hα-helixtrans-57.8-47.4179.2168.20000111.7T43 C44 A50 N230 S231 V232 M235T43-V46 PolarHBondContact O-N 3.28Å; C44-V46 PolarHBondContact O-N 3.36Å; V46-A50 VanDerWaalsContact O-CB 3.23Å; V46-A50 WeakPolarHBondContact O-CB 3.43Å; V46-A50 PolarHBondContact O-N 3.44Å; V46-A50 VanDerWaalsContact O-N 3.11Å; V46-N230 WeakPolarHBondContact CB-OD1 3.25Å; V46-N230 VanDerWaalsContact CG2-OD1 3.3Å; V46-N230 WeakPolarHBondContact CG2-OD1 3.49Å; V46-S231 VanDerWaalsContact CG1-C 3.46Å; V46-V232 HydrophobicContact CG2-CG2 4.49Å; V46-M235 HydrophobicContact CG1-CB 4.41Å
47L97.1Very high92.9Very high1 Ų132.6 Ų32.61%0.00520%0.198CC..Hα-helixtrans-68.1-46.1179.117961.1000111.9V33 W40 T43 C44 S45 A50 L51 L102 V156 M235V33-L47 HydrophobicContact CB-CD2 4.27Å; V33-L47 HydrophobicContact CG1-CD2 3.46Å; V33-L47 VanDerWaalsContact CG1-CD2 3.46Å; V33-L47 HydrophobicContact CG2-CD2 3.74Å; W40-L47 HydrophobicContact CH2-CD2 4.13Å; W40-L47 HydrophobicContact CZ3-CD2 3.9Å; T43-L47 PolarHBondContact O-N 3.5Å; C44-L47 PolarHBondContact O-N 3.13Å; S45-L47 PolarHBondContact O-N 3.4Å; L47-A50 PolarHBondContact O-N 3.11Å; L47-L51 HydrophobicContact CD1-CD1 4.09Å; L47-L51 HydrophobicContact CD1-CG 4.19Å; L47-L51 HydrophobicContact CG-CD1 3.93Å; L47-L51 HydrophobicContact CG-CG 4.45Å; L47-L51 WeakPolarHBondContact O-CB 3.49Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.41Å; L47-L102 HydrophobicContact CD2-CD2 4.22Å; L47-V156 HydrophobicContact CD1-CG1 4.4Å; L47-V156 HydrophobicContact CD1-CG2 4.48Å; L47-V156 HydrophobicContact CD2-CG1 4.14Å; L47-M235 HydrophobicContact CD1-CE 3.68Å; L47-M235 HydrophobicContact CD1-CG 3.89Å; L47-M235 HydrophobicContact CD1-SD 4.11Å
48C97.9Very high93.4Very high0 Ų031.5 Ų31.50%019%0.192CC..Hα-helixtrans-65.5-42.8-177.4-650000111.6C44 S45 L51 D52 V99C44-C48 WeakPolarHBondContact O-CB 3.46Å; C44-C48 PolarHBondContact O-N 3.05Å; C44-C48 PolarHBondContact O-SG 3.47Å; S45-C48 PolarHBondContact O-N 2.92Å; C48-L51 PolarHBondContact O-N 2.99Å; C48-D52 PolarHBondContact O-N 3.13Å; C48-V99 HydrophobicContact CB-CG1 3.76Å
49D98.1Very high94Very high68 Ų6827.5 Ų27.536%0.36417%0.166SC..Hα-helixtrans-66.6-40178.2-65.2-9.5000111.2S45 D52 N53 R103 V232S45-D49 VanDerWaalsContact O-CB 3.28Å; S45-D49 WeakPolarHBondContact O-CB 3.49Å; S45-D49 PolarHBondContact O-N 2.73Å; D49-D52 PolarHBondContact O-N 3.27Å; D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 2.93Å; D49-N53 PolarHBondContact O-ND2 3.31Å; D49-R103 IonicContact OD1-NH2 2.84Å; D49-V232 HydrophobicContact CB-CG1 4.34Å; D49-V232 HydrophobicContact CB-CG2 4.05Å
50A98.2Very high94.2Very high0 Ų029 Ų290%018%0.175CC..Hα-helixtrans-63.8-40.517400000112.1V46 L47 F54 V232 M235 E236 L239V46-A50 VanDerWaalsContact O-CB 3.23Å; V46-A50 WeakPolarHBondContact O-CB 3.43Å; V46-A50 PolarHBondContact O-N 3.44Å; V46-A50 VanDerWaalsContact O-N 3.11Å; L47-A50 PolarHBondContact O-N 3.11Å; A50-F54 WeakPolarHBondContact O-CB 3.35Å; A50-F54 PolarHBondContact O-N 3.4Å; A50-V232 HydrophobicContact CB-CG1 4.16Å; A50-M235 HydrophobicContact CB-CB 3.81Å; A50-M235 HydrophobicContact CB-CG 3.85Å; A50-E236 HydrophobicContact CB-CG 3.86Å; A50-L239 HydrophobicContact CB-CD1 4.24Å
51L98.1Very high94Very high3 Ų329.4 Ų29.42%0.01618%0.177CC..Hα-helixtrans-63.7-45.2174.6-77.5169.1000111.4L31 L47 C48 N53 F54 L55 V99 L102 L239L31-L51 HydrophobicContact CD2-CD1 3.99Å; L31-L51 HydrophobicContact CD2-CD2 3.67Å; L31-L51 HydrophobicContact CD2-CG 4.41Å; L47-L51 HydrophobicContact CD1-CD1 4.09Å; L47-L51 HydrophobicContact CD1-CG 4.19Å; L47-L51 HydrophobicContact CG-CD1 3.93Å; L47-L51 HydrophobicContact CG-CG 4.45Å; L47-L51 WeakPolarHBondContact O-CB 3.49Å; L47-L51 VanDerWaalsContact O-CG 3.28Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.41Å; C48-L51 PolarHBondContact O-N 2.99Å; L51-N53 PolarHBondContact O-N 2.87Å; L51-F54 PolarHBondContact O-N 3.43Å; L51-L55 HydrophobicContact CB-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.35Å; L51-L55 WeakPolarHBondContact O-CG 3.28Å; L51-L55 PolarHBondContact O-N 2.87Å; L51-V99 HydrophobicContact CB-CG1 4.45Å; L51-V99 HydrophobicContact CB-CG2 3.94Å; L51-V99 HydrophobicContact CD1-CG2 4.4Å; L51-L102 HydrophobicContact CD1-CD2 3.91Å; L51-L239 HydrophobicContact CD2-CD1 3.82Å; L51-L239 HydrophobicContact CD2-CD2 4.11Å; L51-L239 HydrophobicContact CG-CD1 4.19Å
52D97.1Very high93.7Very high26 Ų2630.1 Ų30.114%0.13918%0.176CC..Hα-helixtrans-60.5-46.2178.6-84-37.6000111.5C48 D49 S56 R103C48-D52 PolarHBondContact O-N 3.13Å; D49-D52 PolarHBondContact O-N 3.27Å; D52-S56 VanDerWaalsContact O-CB 3.26Å; D52-S56 WeakPolarHBondContact O-CB 3.42Å; D52-S56 PolarHBondContact O-N 2.85Å; D52-S56 PolarHBondContact O-OG 2.93Å; D52-R103 IonicContact OD2-CZ 3.18Å; D52-R103 IonicContact OD2-NH1 3.89Å; D52-R103 IonicContact OD2-NH2 2.69Å; D52-R103 PolarHBondContact OD2-NH2 3.33Å
53N96.1Very high93.1Very high84 Ų8425.8 Ų25.845%0.44916%0.158SC..Hα-helixtrans-62.9-47.1177.2-70.5-18.2000111.6D49 L51 L57 E236D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 2.93Å; D49-N53 PolarHBondContact O-ND2 3.31Å; L51-N53 PolarHBondContact O-N 2.87Å; N53-L57 PolarHBondContact O-N 3.46Å; N53-E236 HydrophobicContact CB-CG 4.38Å; N53-E236 VanDerWaalsContact CB-OE1 3.24Å; N53-E236 WeakPolarHBondContact CB-OE1 3.49Å; N53-E236 PolarHBondContact ND2-OE1 3.28Å
54F96.4Very high92.3Very high1 Ų127 Ų270%0.00417%0.166CC..Hα-helixtrans-64.3-48.4179.7169.9-107.2000113A50 L51 S56 L57 A58 I67 L239 K240 W242 L243A50-F54 WeakPolarHBondContact O-CB 3.35Å; A50-F54 PolarHBondContact O-N 3.4Å; L51-F54 PolarHBondContact O-N 3.43Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 2.77Å; F54-L57 WeakPolarHBondContact O-CB 3.3Å; F54-L57 PolarHBondContact O-N 3.15Å; F54-A58 HydrophobicContact CE2-CB 4.49Å; F54-A58 HydrophobicContact CZ-CB 4.38Å; F54-A58 WeakPolarHBondContact O-CB 3.38Å; F54-A58 PolarHBondContact O-N 3.31Å; F54-I67 HydrophobicContact CE1-CD1 4Å; F54-I67 HydrophobicContact CE2-CD1 4.23Å; F54-I67 HydrophobicContact CZ-CD1 3.33Å; F54-L239 HydrophobicContact CB-CB 4.1Å; F54-L239 HydrophobicContact CB-CD1 3.91Å; F54-L239 HydrophobicContact CD1-CB 3.94Å; F54-L239 HydrophobicContact CD1-CD1 4.24Å; F54-L239 HydrophobicContact CD2-CB 3.69Å; F54-L239 HydrophobicContact CE1-CB 4.21Å; F54-L239 HydrophobicContact CE2-CB 3.97Å; F54-L239 WeakPolarHBondContact CE2-O 3.42Å; F54-L239 HydrophobicContact CG-CB 3.63Å; F54-L239 HydrophobicContact CG-CD1 4.15Å; F54-L239 HydrophobicContact CG-CG 4.47Å; F54-L239 HydrophobicContact CZ-CB 4.18Å; F54-L239 WeakPolarHBondContact CZ-O 3.41Å; F54-K240 HydrophobicContact CD2-CG 4.26Å; F54-W242 AromaticContact CE1-CE3 3.69Å; F54-W242 HydrophobicContact CE1-CE3 3.69Å; F54-W242 AromaticContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CZ-CB 4.26Å; F54-W242 HydrophobicContact CZ-CD2 4.35Å; F54-W242 AromaticContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CZ3 4.41Å; F54-L243 HydrophobicContact CD2-CD1 4.33Å; F54-L243 HydrophobicContact CE2-CD1 3.8Å; F54-L243 HydrophobicContact CE2-CD2 4.35Å; F54-L243 HydrophobicContact CE2-CG 3.82Å; F54-L243 HydrophobicContact CZ-CG 4.44Å
55L95.9Very high91.6Very high5 Ų527.9 Ų27.93%0.02617%0.172CC..Hα-helixtrans-66.8-36.5-178.2-69.8168.6000111.1L51 L57 A58 C59 L70 L92 L95 V99L51-L55 HydrophobicContact CB-CD1 4.35Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 WeakPolarHBondContact O-CD1 3.35Å; L51-L55 WeakPolarHBondContact O-CG 3.28Å; L51-L55 PolarHBondContact O-N 2.87Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 2.94Å; L55-A58 PolarHBondContact O-N 3.49Å; L55-C59 WeakPolarHBondContact O-CB 3.44Å; L55-C59 PolarHBondContact O-N 3.23Å; L55-C59 PolarHBondContact O-SG 3.3Å; L55-L70 HydrophobicContact CD2-CD2 3.79Å; L55-L92 HydrophobicContact CB-CD1 4.3Å; L55-L95 HydrophobicContact CD1-CB 4.07Å; L55-L95 HydrophobicContact CD2-CB 4.44Å; L55-L95 HydrophobicContact CD2-CD1 4Å; L55-V99 HydrophobicContact CD1-CG2 3.75Å
56S93.3Very high91.1Very high32 Ų3225.7 Ų25.722%0.22415%0.154CC..Hα-helixtrans-57.9-46.8173.6-60.20000111D52 F54 S60 R96D52-S56 VanDerWaalsContact O-CB 3.26Å; D52-S56 WeakPolarHBondContact O-CB 3.42Å; D52-S56 PolarHBondContact O-N 2.85Å; D52-S56 PolarHBondContact O-OG 2.93Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 2.77Å; S56-S60 WeakPolarHBondContact O-CB 3.3Å; S56-S60 PolarHBondContact O-N 3.18Å; S56-S60 PolarHBondContact O-OG 3.17Å; S56-R96 PolarHBondContact OG-NH2 2.88Å
57L91.8Very high90.8Very high44 Ų4425.1 Ų25.123%0.2315%0.15CC..Hα-helixtrans-64.4-56.8174.8176.564000111.6N53 F54 L55 C59 S60 L61 L243 I278N53-L57 PolarHBondContact O-N 3.46Å; F54-L57 WeakPolarHBondContact O-CB 3.3Å; F54-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 2.94Å; L57-C59 VanDerWaalsContact C-N 3.26Å; L57-C59 PolarHBondContact O-N 2.83Å; L57-S60 PolarHBondContact O-N 3.17Å; L57-S60 PolarHBondContact O-OG 3.33Å; L57-L61 HydrophobicContact CD1-CD2 3.88Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.23Å; L57-L61 PolarHBondContact O-N 3.11Å; L57-L61 VanDerWaalsContact O-N 3.14Å; L57-L243 HydrophobicContact CD2-CD1 4.18Å; L57-I278 HydrophobicContact CD2-CD1 3.96Å
58A92.1Very high90.3Very high11 Ų1127.3 Ų27.39%0.09117%0.165CC..Hα-helixtrans-60.5-33.7-173.300000113.1F54 L55 I67 V88 L243F54-A58 HydrophobicContact CE2-CB 4.49Å; F54-A58 HydrophobicContact CZ-CB 4.38Å; F54-A58 WeakPolarHBondContact O-CB 3.38Å; F54-A58 PolarHBondContact O-N 3.31Å; L55-A58 PolarHBondContact O-N 3.49Å; A58-I67 HydrophobicContact CB-CD1 4.35Å; A58-V88 HydrophobicContact CB-CG1 4.21Å; A58-L243 HydrophobicContact CB-CD2 4.03Å
59C91.3Very high90.1Very high15 Ų1528.3 Ų28.310%0.10117%0.169CC..Hα-helixtrans-76.2-26.6176.2-65.80000113.3L55 L57 V88 L92 L95L55-C59 WeakPolarHBondContact O-CB 3.44Å; L55-C59 PolarHBondContact O-N 3.23Å; L55-C59 PolarHBondContact O-SG 3.3Å; L57-C59 VanDerWaalsContact C-N 3.26Å; L57-C59 PolarHBondContact O-N 2.83Å; C59-V88 PolarHBondContact SG-O 3.19Å; C59-L92 HydrophobicContact CB-CB 4.02Å; C59-L92 HydrophobicContact CB-CD1 4.19Å; C59-L95 VanDerWaalsContact SG-CD1 3.56Å
60S87.5Confident90Very high45 Ų4525.4 Ų25.432%0.31515%0.154SC..Hα-helixtrans-90.7-17.3-17666.20000114.2S56 L57 D62 P284S56-S60 WeakPolarHBondContact O-CB 3.3Å; S56-S60 PolarHBondContact O-N 3.18Å; S56-S60 PolarHBondContact O-OG 3.17Å; L57-S60 PolarHBondContact O-N 3.17Å; L57-S60 PolarHBondContact O-OG 3.33Å; S60-D62 PolarHBondContact O-N 2.94Å; S60-P284 WeakPolarHBondContact O-CD 3.42Å; S60-P284 VanDerWaalsContact O-CG 3.26Å; S60-P284 WeakPolarHBondContact O-CG 3.24Å
61L86.5Confident90Very high11 Ų1125.4 Ų25.46%0.05815%0.154CC..  trans-61129.3-177.2-69.2174.7000111.9L57 L243 I278 L282 V283L57-L61 HydrophobicContact CD1-CD2 3.88Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 WeakPolarHBondContact O-CG 3.23Å; L57-L61 PolarHBondContact O-N 3.11Å; L57-L61 VanDerWaalsContact O-N 3.14Å; L61-L243 HydrophobicContact CD1-CD1 4.44Å; L61-L243 HydrophobicContact CD1-CD2 4.32Å; L61-I278 HydrophobicContact CD1-CD1 4.28Å; L61-I278 HydrophobicContact CD1-CG2 4.17Å; L61-I278 HydrophobicContact CD2-CG2 3.69Å; L61-L282 WeakPolarHBondContact CA-O 3.24Å; L61-L282 HydrophobicContact CD2-CB 4.09Å; L61-V283 HydrophobicContact CD2-CG2 4.43Å
62D81.5Confident90Very high69 Ų6925.6 Ų25.637%0.36916%0.155SC..  trans-74.8171.8169.8-78.1-39.7000112S60 R89 L282S60-D62 PolarHBondContact O-N 2.94Å; D62-R89 IonicContact OD1-NH2 2.67Å; D62-R89 PolarHBondContact OD1-NH2 3.37Å; D62-L282 PolarHBondContact N-O 3.34Å
63G78Confident90Very high20 Ų2024.8 Ų24.821%0.20615%0.15CC..SBendtrans76-166.9-173.100000113.4R89G63-R89 PolarHBondContact O-NH1 3.46Å
64P74.8Confident90Very high34 Ų3420.8 Ų20.822%0.22113%0.129CC..SBendtrans-66.4140-177.9-24.536.2000112.6L23 R66 R297L23-P64 HydrophobicContact CD1-CB 3.81Å; L23-P64 HydrophobicContact CD2-CB 4Å; L23-P64 HydrophobicContact CG-CB 4.04Å; P64-R66 PolarHBondContact O-N 3.43Å; P64-R297 VanDerWaalsContact CB-NH1 3.3Å; P64-R297 VanDerWaalsContact CD-NH1 3.26Å
65C79.9Confident89.8Confident36 Ų3620.8 Ų20.824%0.24313%0.129CC..  trans-61.9126.8-174.1-169.50000111Q26 I67Q26-C65 PolarHBondContact OE1-O 2.98Å; C65-I67 VanDerWaalsContact SG-C 3.59Å; C65-I67 PolarHBondContact SG-O 3.19Å
66R85.1Confident89.4Confident18 Ų1821.6 Ų21.67%0.06814%0.135CC..SBendtrans-85.2-11.6-178-68.2-178.9176.8-127.33.5114.1Q26 P64 L243 E275Q26-R66 PolarHBondContact NE2-O 2.82Å; Q26-R66 PolarHBondContact OE1-O 2.63Å; P64-R66 PolarHBondContact O-N 3.43Å; R66-L243 HydrophobicContact CB-CD2 3.85Å; R66-L243 WeakPolarHBondContact CD-O 3.46Å; R66-L243 PolarHBondContact NH1-O 3.12Å; R66-E275 IonicContact CZ-OE2 3.45Å; R66-E275 IonicContact NH1-OE2 2.64Å; R66-E275 PolarHBondContact NH1-OE2 2.84Å; R66-E275 IonicContact NH2-OE1 2.71Å; R66-E275 IonicContact NH2-OE2 3.8Å; R66-E275 PolarHBondContact NH2-OE2 3.34Å
67I89.9Confident88.9Confident5 Ų529.1 Ų29.13%0.02616%0.158CC..SBendtrans-142.190.6176.9-56.2173.7000106.6R29 F54 A58 C65 L69 V88 W242 L243R29-I67 HydrophobicContact CB-CG2 4.16Å; R29-I67 HydrophobicContact CG-CG2 3.64Å; F54-I67 HydrophobicContact CE1-CD1 4Å; F54-I67 HydrophobicContact CE2-CD1 4.23Å; F54-I67 HydrophobicContact CZ-CD1 3.33Å; A58-I67 HydrophobicContact CB-CD1 4.35Å; C65-I67 VanDerWaalsContact SG-C 3.59Å; C65-I67 PolarHBondContact SG-O 3.19Å; I67-L69 VanDerWaalsContact C-N 3.29Å; I67-L69 PolarHBondContact O-N 2.87Å; I67-V88 HydrophobicContact CB-CB 4.47Å; I67-V88 HydrophobicContact CB-CG2 4Å; I67-V88 HydrophobicContact CG2-CG2 3.63Å; I67-V88 VanDerWaalsContact O-CB 3.32Å; I67-V88 WeakPolarHBondContact O-CB 3.39Å; I67-V88 VanDerWaalsContact O-CG2 3.28Å; I67-V88 WeakPolarHBondContact O-CG2 3.16Å; I67-W242 HydrophobicContact CD1-CB 3.9Å; I67-W242 HydrophobicContact CD1-CE3 4.32Å; I67-W242 HydrophobicContact CG1-CB 4.38Å; I67-L243 HydrophobicContact CD1-CD2 3.66Å; I67-L243 HydrophobicContact CD1-CG 4.36Å; I67-L243 HydrophobicContact CG1-CD2 3.96Å
68P87.9Confident88.6Confident47 Ų4732.2 Ų32.231%0.30517%0.172SC..  trans-65.4-35.8-169.323.7-32.7000112.2Q26 Q87Q26-P68 HydrophobicContact CB-CG 4.28Å; Q26-P68 WeakPolarHBondContact O-CG 3.31Å; P68-Q87 WeakPolarHBondContact O-CA 3.36Å
69L92.4Very high88.5Confident20 Ų2033.3 Ų33.311%0.10518%0.178CC..  trans-141.7143.5-178-62.5168.8000110.9A28 R29 I67 F85 V86 Q87 F132 F135A28-L69 HydrophobicContact CB-CB 3.86Å; A28-L69 HydrophobicContact CB-CD1 4.29Å; R29-L69 PolarHBondContact N-O 3.28Å; I67-L69 VanDerWaalsContact C-N 3.29Å; I67-L69 PolarHBondContact O-N 2.87Å; L69-F85 HydrophobicContact CB-CD1 3.98Å; L69-V86 CarbonylContact C-O 3.57Å; L69-V86 VanDerWaalsContact CA-O 3.27Å; L69-V86 WeakPolarHBondContact CA-O 3.36Å; L69-Q87 HydrophobicContact CD2-CG 4.17Å; L69-F132 HydrophobicContact CD1-CE2 4.46Å; L69-F135 HydrophobicContact CD1-CD1 3.93Å; L69-F135 HydrophobicContact CD1-CE1 3.39Å; L69-F135 HydrophobicContact CD1-CZ 4.05Å; L69-F135 HydrophobicContact CD2-CE1 3.87Å; L69-F135 HydrophobicContact CD2-CZ 3.63Å; L69-F135 HydrophobicContact CG-CE1 4.29Å
70L96.1Very high88.6Confident7 Ų735.9 Ų35.94%0.03719%0.188CC..EExtended strand (participates in β ladder)trans-132.1138173.2179.564.3000110.2R29 L55 L83 F85 V86 V88 L95 W242R29-L70 HydrophobicContact CB-CD1 3.84Å; R29-L70 CarbonylContact O-C 3.59Å; R29-L70 VanDerWaalsContact O-CA 3.32Å; R29-L70 WeakPolarHBondContact O-CA 3.36Å; L55-L70 HydrophobicContact CD2-CD2 3.79Å; L70-L83 HydrophobicContact CG-CD2 4.49Å; L70-F85 WeakPolarHBondContact O-CA 2.97Å; L70-V86 PolarHBondContact N-O 3.17Å; L70-V86 PolarHBondContact O-N 3.43Å; L70-V88 HydrophobicContact CB-CG2 3.63Å; L70-L95 HydrophobicContact CD2-CD2 4.17Å; L70-W242 HydrophobicContact CD1-CZ3 4.02Å
71S97.7Very high89Confident0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-128.6145.4168.9-179.90000109.2R29 V30 L31 Y73 L83 Q131R29-S71 PolarHBondContact O-N 3.38Å; V30-S71 WeakPolarHBondContact CA-O 3.29Å; L31-S71 PolarHBondContact N-O 3.02Å; S71-Y73 WeakPolarHBondContact OG-CE2 3.49Å; S71-L83 CarbonylContact C-O 3.01Å; S71-L83 VanDerWaalsContact CA-O 3.29Å; S71-L83 WeakPolarHBondContact CA-O 3.45Å; S71-L83 PolarHBondContact OG-O 2.79Å; S71-Q131 PolarHBondContact OG-OE1 3.18Å
72L98.3Very high89.5Confident7 Ų736.7 Ų36.74%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-131.2128.2-177.7-164.5153.7000110.6L31 L82 L83L31-L72 HydrophobicContact CB-CG 4.35Å; L31-L72 HydrophobicContact CD2-CD1 3.96Å; L31-L72 HydrophobicContact CD2-CG 4.42Å; L31-L72 CarbonylContact O-C 3.52Å; L31-L72 WeakPolarHBondContact O-CA 3.26Å; L72-L82 HydrophobicContact CD2-CB 3.96Å; L72-L82 HydrophobicContact CD2-CD1 3.75Å; L72-L82 HydrophobicContact CD2-CG 4.09Å; L72-L82 PolarHBondContact O-N 3.02Å; L72-L83 HydrophobicContact CB-CB 3.86Å; L72-L83 HydrophobicContact CB-CD2 4.43Å; L72-L83 PolarHBondContact N-O 3.08Å; L72-L83 PolarHBondContact O-N 2.87Å
73Y97.9Very high90.2Very high10 Ų1033.6 Ų33.64%0.03918%0.176CC..EExtended strand (participates in β ladder)trans-118.3144.5173.5-71.2-106000109.7V30 L31 I32 V33 S71 E80 C81 A124 D127 S128 Q131V30-Y73 HydrophobicContact CG1-CD2 4.08Å; V30-Y73 HydrophobicContact CG1-CE2 4.39Å; L31-Y73 PolarHBondContact O-N 3.04Å; I32-Y73 CarbonylContact C-O 3.52Å; I32-Y73 WeakPolarHBondContact CA-O 3.11Å; V33-Y73 PolarHBondContact N-O 3.28Å; S71-Y73 WeakPolarHBondContact OG-CE2 3.49Å; Y73-E80 CarbonylContact C-O 3.47Å; Y73-E80 VanDerWaalsContact CA-O 3.24Å; Y73-E80 WeakPolarHBondContact CA-O 3.48Å; Y73-C81 HydrophobicContact CD1-CB 3.9Å; Y73-C81 HydrophobicContact CE1-CB 3.55Å; Y73-A124 HydrophobicContact CD1-CB 4.44Å; Y73-D127 HydrophobicContact CE1-CB 4.2Å; Y73-S128 WeakPolarHBondContact OH-CA 3.49Å; Y73-Q131 PolarHBondContact OH-OE1 3.44Å
74A95.9Very high91.1Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-122.8143.3170.600000110V33 E80 L82 L102 I105V33-A74 CarbonylContact O-C 3.5Å; V33-A74 WeakPolarHBondContact O-CA 3.13Å; A74-E80 PolarHBondContact N-O 3.1Å; A74-E80 PolarHBondContact O-N 3.36Å; A74-L82 HydrophobicContact CB-CD1 3.63Å; A74-L82 HydrophobicContact CB-CD2 4.4Å; A74-L82 HydrophobicContact CB-CG 3.92Å; A74-L102 HydrophobicContact CB-CD1 3.99Å; A74-I105 HydrophobicContact CB-CD1 3.52Å
75I92.4Very high92Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-117.7109.2177.7-61.8170.8000107.5I32 V33 A35 P79 L120 L121 A124I32-I75 HydrophobicContact CG2-CD1 3.73Å; I32-I75 HydrophobicContact CG2-CG1 4.27Å; V33-I75 PolarHBondContact O-N 3.01Å; A35-I75 CarbonylContact C-O 3.55Å; A35-I75 WeakPolarHBondContact CA-O 3.22Å; A35-I75 PolarHBondContact N-O 3.02Å; I75-P79 HydrophobicContact CG1-CB 4.41Å; I75-L120 HydrophobicContact CG2-CB 3.83Å; I75-L120 HydrophobicContact CG2-CD1 3.97Å; I75-L121 HydrophobicContact CD1-CB 4.14Å; I75-L121 HydrophobicContact CD1-CD2 3.27Å; I75-L121 HydrophobicContact CD1-CG 3.46Å; I75-L121 VanDerWaalsContact CD1-CG 3.46Å; I75-A124 HydrophobicContact CD1-CB 4.04Å; I75-A124 HydrophobicContact CG1-CB 4.43Å
76S86.9Confident92.6Very high22 Ų2232.7 Ų32.715%0.15417%0.165CC..SBendtrans-117.2-88.1173.1650000109.3L36 Q78L36-S76 WeakPolarHBondContact CD2-O 3.2Å; S76-Q78 PolarHBondContact N-O 3.47Å
77R82.1Confident92.9Very high190 Ų19037.6 Ų37.672%0.71719%0.188SC*.SBendtrans-87.2-31171.5-65177-176.3-174.13.4112.3I111R77-I111 HydrophobicContact CG-CD1 3.65Å
78Q85.9Confident93Very high110 Ų11037.4 Ų37.451%0.51419%0.188SC..SBendtrans-148161.3-177.965.8-171.20.800108.3S76 E80S76-Q78 PolarHBondContact N-O 3.47Å; Q78-E80 HydrophobicContact CG-CG 3.8Å; Q78-E80 PolarHBondContact NE2-OE1 3.23Å; Q78-E80 PolarHBondContact O-N 2.95Å
79P89.6Confident93Very high33 Ų3339.8 Ų39.821%0.21419%0.19CC..EExtended strand (participates in β ladder)trans-67.8124170.229-35.8000110I75 Q123 A124I75-P79 HydrophobicContact CG1-CB 4.41Å; P79-Q123 HydrophobicContact CG-CB 4.36Å; P79-Q123 HydrophobicContact CG-CG 4.08Å; P79-A124 HydrophobicContact CB-CB 4.02Å
80E93.9Very high92.7Very high70 Ų7042.3 Ų42.333%0.32722%0.221SC..EExtended strand (participates in β ladder)trans-122130.2178.1-65.5-177.8169.900109.4Y73 A74 Q78 L82Y73-E80 CarbonylContact C-O 3.47Å; Y73-E80 VanDerWaalsContact CA-O 3.24Å; Y73-E80 WeakPolarHBondContact CA-O 3.48Å; A74-E80 PolarHBondContact N-O 3.1Å; A74-E80 PolarHBondContact O-N 3.36Å; Q78-E80 HydrophobicContact CG-CG 3.8Å; Q78-E80 PolarHBondContact NE2-OE1 3.23Å; Q78-E80 PolarHBondContact O-N 2.95Å; E80-L82 HydrophobicContact CB-CD2 4.28Å; E80-L82 PolarHBondContact O-N 3.37Å
81C96.4Very high92.5Very high53 Ų5344.4 Ų44.436%0.35823%0.232SC..EExtended strand (participates in β ladder)trans-86.595.8174.1-174.80000108.7Y73 L83 Q131Y73-C81 HydrophobicContact CD1-CB 3.9Å; Y73-C81 HydrophobicContact CE1-CB 3.55Å; C81-L83 VanDerWaalsContact C-N 3.32Å; C81-Q131 PolarHBondContact SG-NE2 3.48Å
82L96.5Very high92.3Very high20 Ų2046.8 Ų46.811%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-71-32.7178.2-55.6-169.8000111.3L72 A74 E80 E101 L102 I105L72-L82 HydrophobicContact CD2-CB 3.96Å; L72-L82 HydrophobicContact CD2-CD1 3.75Å; L72-L82 HydrophobicContact CD2-CG 4.09Å; L72-L82 PolarHBondContact O-N 3.02Å; A74-L82 HydrophobicContact CB-CD1 3.63Å; A74-L82 HydrophobicContact CB-CD2 4.4Å; A74-L82 HydrophobicContact CB-CG 3.92Å; E80-L82 HydrophobicContact CB-CD2 4.28Å; E80-L82 PolarHBondContact O-N 3.37Å; L82-E101 HydrophobicContact CD1-CG 4.44Å; L82-E101 HydrophobicContact CD2-CG 4.17Å; L82-L102 HydrophobicContact CD1-CB 4.12Å; L82-L102 HydrophobicContact CD1-CD1 4.16Å; L82-I105 HydrophobicContact CD1-CD1 4.46Å
83L97.1Very high92.2Very high4 Ų450.4 Ų50.42%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-139.8109-179.9-176.372.3000110.2L70 S71 L72 C81 V86 R94 L95 C98L70-L83 HydrophobicContact CG-CD2 4.49Å; S71-L83 CarbonylContact C-O 3.01Å; S71-L83 VanDerWaalsContact CA-O 3.29Å; S71-L83 WeakPolarHBondContact CA-O 3.45Å; S71-L83 PolarHBondContact OG-O 2.79Å; L72-L83 HydrophobicContact CB-CB 3.86Å; L72-L83 HydrophobicContact CB-CD2 4.43Å; L72-L83 PolarHBondContact N-O 3.08Å; L72-L83 PolarHBondContact O-N 2.87Å; C81-L83 VanDerWaalsContact C-N 3.32Å; L83-V86 HydrophobicContact CD1-CG1 4.13Å; L83-V86 HydrophobicContact CD1-CG2 3.85Å; L83-V86 HydrophobicContact CD2-CG2 3.8Å; L83-V86 HydrophobicContact CG-CG2 3.94Å; L83-R94 HydrophobicContact CD1-CG 4.06Å; L83-L95 HydrophobicContact CD1-CD2 4.48Å; L83-L95 HydrophobicContact CD2-CD2 3.35Å; L83-C98 HydrophobicContact CB-CB 4.26Å
84P95.7Very high92.1Very high50 Ų5055.8 Ų55.833%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-66.6166.2168.231.4-36.5000110.2V86P84-V86 WeakPolarHBondContact O-CG1 3.24Å; P84-V86 PolarHBondContact O-N 2.95Å
85F94.3Very high92.2Very high11 Ų1156 Ų565%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-49.4118.6179-76.2-73.7000113.2A28 V30 L69 L70 Q131 F132 F135A28-F85 HydrophobicContact CB-CD1 4.37Å; A28-F85 HydrophobicContact CB-CE1 3.86Å; V30-F85 HydrophobicContact CG2-CE1 3.85Å; V30-F85 HydrophobicContact CG2-CE2 4.47Å; V30-F85 HydrophobicContact CG2-CZ 3.46Å; V30-F85 VanDerWaalsContact CG2-CZ 3.46Å; L69-F85 HydrophobicContact CB-CD1 3.98Å; L70-F85 WeakPolarHBondContact O-CA 2.97Å; F85-Q131 HydrophobicContact CD2-CB 4.45Å; F85-Q131 HydrophobicContact CD2-CG 3.97Å; F85-Q131 VanDerWaalsContact CD2-OE1 3.27Å; F85-Q131 HydrophobicContact CE2-CB 4.32Å; F85-Q131 HydrophobicContact CE2-CG 4.32Å; F85-F132 HydrophobicContact CD2-CB 4.35Å; F85-F132 HydrophobicContact CD2-CD2 4.43Å; F85-F132 HydrophobicContact CE1-CD2 4.08Å; F85-F132 HydrophobicContact CE2-CB 3.52Å; F85-F132 AromaticContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CG 4.27Å; F85-F132 HydrophobicContact CZ-CB 3.79Å; F85-F132 AromaticContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CG 4.21Å; F85-F135 HydrophobicContact CB-CD2 3.81Å; F85-F135 HydrophobicContact CB-CE2 4.09Å; F85-F135 HydrophobicContact CB-CG 4.09Å
86V93Very high92.4Very high10 Ų1061.3 Ų61.36%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-129.8155.3174.4-67.30000110.4L69 L70 L83 P84 L95L69-V86 CarbonylContact C-O 3.57Å; L69-V86 VanDerWaalsContact CA-O 3.27Å; L69-V86 WeakPolarHBondContact CA-O 3.36Å; L70-V86 PolarHBondContact N-O 3.17Å; L70-V86 PolarHBondContact O-N 3.43Å; L83-V86 HydrophobicContact CD1-CG1 4.13Å; L83-V86 HydrophobicContact CD1-CG2 3.85Å; L83-V86 HydrophobicContact CD2-CG2 3.8Å; L83-V86 HydrophobicContact CG-CG2 3.94Å; P84-V86 WeakPolarHBondContact O-CG1 3.24Å; P84-V86 PolarHBondContact O-N 2.95Å; V86-L95 HydrophobicContact CG2-CD2 3.73Å
87Q91.6Very high92.9Very high120 Ų12063.9 Ų63.956%0.56134%0.335SS*.  trans-66.1135.2169.7-68.2177.7-10.200109.9P68 L69 N91P68-Q87 WeakPolarHBondContact O-CA 3.36Å; L69-Q87 HydrophobicContact CD2-CG 4.17Å; Q87-N91 VanDerWaalsContact O-CB 3.25Å; Q87-N91 WeakPolarHBondContact O-CB 3.28Å; Q87-N91 PolarHBondContact O-ND2 3.19Å
88V91.8Very high93.6Very high2 Ų255.1 Ų55.11%0.01230%0.303CS..SBendtrans-72.1-49.1177.7176.70000110.4A58 C59 I67 L70 G90 N91 L95A58-V88 HydrophobicContact CB-CG1 4.21Å; C59-V88 PolarHBondContact SG-O 3.19Å; I67-V88 HydrophobicContact CB-CB 4.47Å; I67-V88 HydrophobicContact CB-CG2 4Å; I67-V88 HydrophobicContact CG2-CG2 3.63Å; I67-V88 VanDerWaalsContact O-CB 3.32Å; I67-V88 WeakPolarHBondContact O-CB 3.39Å; I67-V88 VanDerWaalsContact O-CG2 3.28Å; I67-V88 WeakPolarHBondContact O-CG2 3.16Å; L70-V88 HydrophobicContact CB-CG2 3.63Å; V88-G90 PolarHBondContact O-N 2.74Å; V88-N91 PolarHBondContact O-N 2.89Å; V88-L95 HydrophobicContact CG1-CD1 4.12Å
89R87.9Confident94.2Very high97 Ų9749.9 Ų49.937%0.36628%0.279SS..THydrogen-bonded Turntrans-62129.3179.9-166.7174.8-167.8166.58110.8D62 G63 N91D62-R89 IonicContact OD1-NH2 2.67Å; D62-R89 PolarHBondContact OD1-NH2 3.37Å; G63-R89 PolarHBondContact O-NH1 3.46Å; R89-N91 VanDerWaalsContact C-N 3.3Å; R89-N91 PolarHBondContact O-N 3.5Å
90G86.2Confident94.6Very high72 Ų7253.2 Ų53.274%0.74229%0.291SS*.THydrogen-bonded Turntrans79.8-1.7177.100000115.8V88V88-G90 PolarHBondContact O-N 2.74Å
91N92.1Very high94.7Very high51 Ų5154.2 Ų54.227%0.27330%0.296SS..  trans-111.921.6-178-71.1-71.1000114.3Q87 V88 R89 A93 R94 L95Q87-N91 VanDerWaalsContact O-CB 3.25Å; Q87-N91 WeakPolarHBondContact O-CB 3.28Å; Q87-N91 PolarHBondContact O-ND2 3.19Å; V88-N91 PolarHBondContact O-N 2.89Å; R89-N91 VanDerWaalsContact C-N 3.3Å; R89-N91 PolarHBondContact O-N 3.5Å; N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.47Å; N91-A93 VanDerWaalsContact O-N 3.12Å; N91-R94 PolarHBondContact O-N 3.27Å; N91-L95 WeakPolarHBondContact O-CG 3.4Å; N91-L95 PolarHBondContact O-N 3.4Å
92L94.1Very high94.6Very high50 Ų5051.7 Ų51.726%0.26228%0.279SS..Hα-helixtrans-51-42-175.2-178.661.9000113.6L55 C59 R94 L95 R96L55-L92 HydrophobicContact CB-CD1 4.3Å; C59-L92 HydrophobicContact CB-CB 4.02Å; C59-L92 HydrophobicContact CB-CD1 4.19Å; L92-R94 PolarHBondContact O-N 3.28Å; L92-L95 PolarHBondContact O-N 3.04Å; L92-R96 HydrophobicContact CD1-CG 4.05Å; L92-R96 HydrophobicContact CG-CG 4.38Å; L92-R96 WeakPolarHBondContact O-CB 3.33Å; L92-R96 WeakPolarHBondContact O-CG 3.45Å; L92-R96 PolarHBondContact O-N 3.36Å
93A95.6Very high94.6Very high84 Ų8454.2 Ų54.269%0.69429%0.287SS*.Hα-helixtrans-60.8-42.8179.500000112.6N91 S97N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.47Å; N91-A93 VanDerWaalsContact O-N 3.12Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.4Å
94R96.2Very high94.4Very high123 Ų12358.2 Ų58.246%0.46432%0.315SS..Hα-helixtrans-68.5-40.3177.1-176.9175.6178.5179-1.5111.4L83 N91 L92 S97 C98L83-R94 HydrophobicContact CD1-CG 4.06Å; N91-R94 PolarHBondContact O-N 3.27Å; L92-R94 PolarHBondContact O-N 3.28Å; R94-S97 PolarHBondContact O-N 2.86Å; R94-C98 PolarHBondContact O-N 2.85Å; R94-C98 VanDerWaalsContact O-N 3.1Å
95L96.8Very high94.2Very high3 Ų356.7 Ų56.72%0.01630%0.304CS..Hα-helixtrans-65.2-44.6178.6-61.6174.7000111.4L55 C59 L70 L83 V86 V88 N91 L92 C98 V99L55-L95 HydrophobicContact CD1-CB 4.07Å; L55-L95 HydrophobicContact CD2-CB 4.44Å; L55-L95 HydrophobicContact CD2-CD1 4Å; C59-L95 VanDerWaalsContact SG-CD1 3.56Å; L70-L95 HydrophobicContact CD2-CD2 4.17Å; L83-L95 HydrophobicContact CD1-CD2 4.48Å; L83-L95 HydrophobicContact CD2-CD2 3.35Å; V86-L95 HydrophobicContact CG2-CD2 3.73Å; V88-L95 HydrophobicContact CG1-CD1 4.12Å; N91-L95 WeakPolarHBondContact O-CG 3.4Å; N91-L95 PolarHBondContact O-N 3.4Å; L92-L95 PolarHBondContact O-N 3.04Å; L95-C98 WeakPolarHBondContact O-CB 3.35Å; L95-C98 PolarHBondContact O-N 2.9Å; L95-C98 VanDerWaalsContact O-N 3.17Å; L95-V99 PolarHBondContact O-N 2.88Å; L95-V99 VanDerWaalsContact O-N 3.08Å
96R96.6Very high93.8Very high112 Ų11259.9 Ų59.942%0.42333%0.326SS..Hα-helixtrans-62.8-41173.8-74.7-172.9176.8175.9-1.1112.4S56 L92 C98 V99 E100S56-R96 PolarHBondContact OG-NH2 2.88Å; L92-R96 HydrophobicContact CD1-CG 4.05Å; L92-R96 HydrophobicContact CG-CG 4.38Å; L92-R96 WeakPolarHBondContact O-CB 3.33Å; L92-R96 WeakPolarHBondContact O-CG 3.45Å; L92-R96 PolarHBondContact O-N 3.36Å; R96-C98 PolarHBondContact O-N 3.13Å; R96-V99 WeakPolarHBondContact O-CA 3.4Å; R96-V99 WeakPolarHBondContact O-CB 3.5Å; R96-V99 PolarHBondContact O-N 2.8Å; R96-E100 PolarHBondContact O-N 3.18Å
97S97.6Very high92.7Very high77 Ų7760.2 Ų60.254%0.53833%0.331SS..Hα-helixtrans-57.9-36.8174.3-171.30000112.3A93 R94 E100 E101A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.4Å; R94-S97 PolarHBondContact O-N 2.86Å; S97-E100 PolarHBondContact O-N 2.83Å; S97-E101 PolarHBondContact O-N 3.48Å
98C97.3Very high91.4Very high5 Ų563.1 Ų63.13%0.03435%0.345CS..Hα-helixtrans-68.9-35.8174.2176.20000112.3L83 R94 L95 R96 E101 L102L83-C98 HydrophobicContact CB-CB 4.26Å; R94-C98 PolarHBondContact O-N 2.85Å; R94-C98 VanDerWaalsContact O-N 3.1Å; L95-C98 WeakPolarHBondContact O-CB 3.35Å; L95-C98 PolarHBondContact O-N 2.9Å; L95-C98 VanDerWaalsContact O-N 3.17Å; R96-C98 PolarHBondContact O-N 3.13Å; C98-E101 PolarHBondContact O-N 2.52Å; C98-L102 PolarHBondContact O-N 2.91Å
99V97.8Very high89.8Confident1 Ų164.5 Ų64.51%0.00635%0.354CS..Hα-helixtrans-65.7-39.6173.7177.90000110.9C48 L51 L55 L95 R96 E101 L102 R103C48-V99 HydrophobicContact CB-CG1 3.76Å; L51-V99 HydrophobicContact CB-CG1 4.45Å; L51-V99 HydrophobicContact CB-CG2 3.94Å; L51-V99 HydrophobicContact CD1-CG2 4.4Å; L55-V99 HydrophobicContact CD1-CG2 3.75Å; L95-V99 PolarHBondContact O-N 2.88Å; L95-V99 VanDerWaalsContact O-N 3.08Å; R96-V99 WeakPolarHBondContact O-CA 3.4Å; R96-V99 WeakPolarHBondContact O-CB 3.5Å; R96-V99 PolarHBondContact O-N 2.8Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 3.36Å; V99-L102 WeakPolarHBondContact O-CB 3.37Å; V99-L102 PolarHBondContact O-N 2.83Å; V99-R103 WeakPolarHBondContact O-CB 3.44Å; V99-R103 PolarHBondContact O-N 3.1Å
100E97.6Very high87.9Confident102 Ų10265.5 Ų65.548%0.47738%0.375SS..Hα-helixtrans-63.3-40173.2-65.1-54.6150.100112.4R96 S97 R103 S104R96-E100 PolarHBondContact O-N 3.18Å; S97-E100 PolarHBondContact O-N 2.83Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 2.93Å; E100-R103 IonicContact OE1-CZ 3.22Å; E100-R103 IonicContact OE1-NH1 2.77Å; E100-R103 PolarHBondContact OE1-NH1 3.01Å; E100-R103 IonicContact OE2-CZ 2.77Å; E100-R103 IonicContact OE2-NH1 2.71Å; E100-R103 PolarHBondContact OE2-NH1 2.89Å; E100-S104 PolarHBondContact O-N 2.89Å
101E96.3Very high86.4Confident92 Ų9265 Ų6543%0.4336%0.355SS..Hα-helixtrans-62.8-43.8174.9-172.3173.3-177.100111.2L82 S97 C98 V99 R103 S104L82-E101 HydrophobicContact CD1-CG 4.44Å; L82-E101 HydrophobicContact CD2-CG 4.17Å; S97-E101 PolarHBondContact O-N 3.48Å; C98-E101 PolarHBondContact O-N 2.52Å; V99-E101 VanDerWaalsContact C-N 3.35Å; V99-E101 PolarHBondContact O-N 3.36Å; E101-R103 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 3.22Å; E101-S104 WeakPolarHBondContact O-CB 3.26Å; E101-S104 PolarHBondContact O-N 3.18Å; E101-S104 VanDerWaalsContact O-N 3.14Å; E101-S104 PolarHBondContact O-OG 3.18Å
102L95.7Very high84.3Confident0 Ų072.1 Ų72.10%038%0.383CS..Hα-helixtrans-58.1-46.6172.8-176.162.7000111.4V33 W40 L47 L51 A74 L82 C98 V99 S104 I105V33-L102 HydrophobicContact CB-CD1 4.12Å; V33-L102 HydrophobicContact CG1-CD1 4.08Å; V33-L102 HydrophobicContact CG2-CD1 4.36Å; V33-L102 HydrophobicContact CG2-CD2 4.13Å; W40-L102 HydrophobicContact CH2-CD1 3.79Å; W40-L102 HydrophobicContact CH2-CD2 4.14Å; W40-L102 HydrophobicContact CH2-CG 3.72Å; W40-L102 HydrophobicContact CZ2-CD1 3.9Å; W40-L102 HydrophobicContact CZ2-CG 3.9Å; W40-L102 WeakPolarHBondContact CZ2-O 3.36Å; L47-L102 HydrophobicContact CD2-CD2 4.22Å; L51-L102 HydrophobicContact CD1-CD2 3.91Å; A74-L102 HydrophobicContact CB-CD1 3.99Å; L82-L102 HydrophobicContact CD1-CB 4.12Å; L82-L102 HydrophobicContact CD1-CD1 4.16Å; C98-L102 PolarHBondContact O-N 2.91Å; V99-L102 WeakPolarHBondContact O-CB 3.37Å; V99-L102 PolarHBondContact O-N 2.83Å; L102-S104 PolarHBondContact O-N 3.3Å; L102-I105 HydrophobicContact CD1-CD1 3.86Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 WeakPolarHBondContact O-CG1 3.31Å; L102-I105 PolarHBondContact O-N 3.25Å; L102-I105 VanDerWaalsContact O-N 3.12Å
103R95.4Very high82.3Confident72 Ų7271.8 Ų71.827%0.27239%0.385SS..Hα-helixtrans-60.5-28.7177.6-169.9179.4-73.4113.9-5.6112.5D49 D52 V99 E100 E101 I105D49-R103 IonicContact OD1-NH2 2.84Å; D52-R103 IonicContact OD2-CZ 3.18Å; D52-R103 IonicContact OD2-NH1 3.89Å; D52-R103 IonicContact OD2-NH2 2.69Å; D52-R103 PolarHBondContact OD2-NH2 3.33Å; V99-R103 WeakPolarHBondContact O-CB 3.44Å; V99-R103 PolarHBondContact O-N 3.1Å; E100-R103 WeakPolarHBondContact O-CB 3.18Å; E100-R103 PolarHBondContact O-N 2.93Å; E100-R103 IonicContact OE1-CZ 3.22Å; E100-R103 IonicContact OE1-NH1 2.77Å; E100-R103 PolarHBondContact OE1-NH1 3.01Å; E100-R103 IonicContact OE2-CZ 2.77Å; E100-R103 IonicContact OE2-NH1 2.71Å; E100-R103 PolarHBondContact OE2-NH1 2.89Å; E101-R103 VanDerWaalsContact C-N 3.35Å; E101-R103 PolarHBondContact O-N 3.22Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.35Å
104S93.6Very high80.3Confident89 Ų8971.9 Ų71.962%0.62239%0.386SS*.THydrogen-bonded Turntrans-77.6-11.1179.1810000114.6E100 E101 L102E100-S104 PolarHBondContact O-N 2.89Å; E101-S104 WeakPolarHBondContact O-CB 3.26Å; E101-S104 PolarHBondContact O-N 3.18Å; E101-S104 VanDerWaalsContact O-N 3.14Å; E101-S104 PolarHBondContact O-OG 3.18Å; L102-S104 PolarHBondContact O-N 3.3Å
105I91.6Very high78.3Confident18 Ų1870.6 Ų70.69%0.09240%0.401CS..SBendtrans-65.5125.3179.6-61.3179.9000109.5A35 W40 A74 L82 L102 R103 G107A35-I105 HydrophobicContact CB-CB 4.48Å; A35-I105 HydrophobicContact CB-CD1 4.03Å; A35-I105 HydrophobicContact CB-CG2 3.86Å; W40-I105 PolarHBondContact NE1-O 3.08Å; W40-I105 VanDerWaalsContact NE1-O 3.15Å; A74-I105 HydrophobicContact CB-CD1 3.52Å; L82-I105 HydrophobicContact CD1-CD1 4.46Å; L102-I105 HydrophobicContact CD1-CD1 3.86Å; L102-I105 WeakPolarHBondContact O-CB 3.48Å; L102-I105 WeakPolarHBondContact O-CG1 3.31Å; L102-I105 PolarHBondContact O-N 3.25Å; L102-I105 VanDerWaalsContact O-N 3.12Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.35Å; I105-G107 PolarHBondContact O-N 3.41Å
106P84.7Confident76.9Confident78 Ų7876.5 Ų76.551%0.50643%0.427SS..  trans-66.4121.7-174.325.8-34.3000111.7E108P106-E108 VanDerWaalsContact C-N 3.29Å; P106-E108 PolarHBondContact O-N 3.27Å
107G71.3Confident75.9Confident16 Ų1671.3 Ų71.317%0.16541%0.408CS..SBendtrans-72.5-20.1174.700000114.2P37 S41 I105P37-G107 VanDerWaalsContact CB-O 3.26Å; P37-G107 WeakPolarHBondContact CB-O 3.05Å; P37-G107 VanDerWaalsContact CG-O 3.3Å; P37-G107 WeakPolarHBondContact CG-O 3.44Å; S41-G107 VanDerWaalsContact OG-CA 3.22Å; S41-G107 WeakPolarHBondContact OG-CA 3.49Å; S41-G107 PolarHBondContact OG-O 3.03Å; I105-G107 PolarHBondContact O-N 3.41Å
108E63.1Low75.1Confident182 Ų18268 Ų6885%0.8539%0.386SS*.  trans-111.894.3179.6-64.1-178.4179.200109.6P106P106-E108 VanDerWaalsContact C-N 3.29Å; P106-E108 PolarHBondContact O-N 3.27Å
109S58Low74.6Confident30 Ų3072.9 Ų72.921%0.2141%0.412CS..  trans-138136.9166.866.20000111.1P37 I111P37-S109 WeakPolarHBondContact CG-OG 3.26Å; S109-I111 PolarHBondContact O-N 2.93Å; S109-I111 VanDerWaalsContact OG-CD1 3.31Å; S109-I111 WeakPolarHBondContact OG-CD1 3.49Å; S109-I111 WeakPolarHBondContact OG-CG1 3.26Å
110C49.1Very low74.3Confident118 Ų11874.6 Ų74.680%0.79742%0.421SS*.  trans-75.669.9178.8-168.20000109.9
111I54.7Low74Confident63 Ų6369.8 Ų69.832%0.32340%0.398SS..  trans-97.4100.9175-56.5173.1000108R77 S109 S113R77-I111 HydrophobicContact CG-CD1 3.65Å; S109-I111 PolarHBondContact O-N 2.93Å; S109-I111 VanDerWaalsContact OG-CD1 3.31Å; S109-I111 WeakPolarHBondContact OG-CD1 3.49Å; S109-I111 WeakPolarHBondContact OG-CG1 3.26Å; I111-S113 PolarHBondContact O-N 3.03Å
112K47.7Very low73.8Confident200 Ų20069.8 Ų69.887%0.8739%0.394SS*.  trans-7230.5176.9-65.7-175.6176.2-179.80114
113S52.2Low73.7Confident42 Ų4273.8 Ų73.829%0.29441%0.413SS..  trans-134.854.8-170-148.90000114.2I111 A115 K116I111-S113 PolarHBondContact O-N 3.03Å; S113-A115 PolarHBondContact O-N 3.14Å; S113-K116 PolarHBondContact O-N 2.99Å; S113-K116 WeakPolarHBondContact OG-CG 3.36Å
114A52.3Low73.8Confident86 Ų8670.3 Ų70.371%0.71140%0.4SS*.G310 helixtrans-55.3-26.1163.700000112.3K116 G117A114-K116 PolarHBondContact O-N 3.23Å; A114-G117 PolarHBondContact O-N 3.46Å
115A54.2Low73.9Confident96 Ų9666.1 Ų66.179%0.79337%0.371SS*.G310 helixtrans-66.5-11.217800000115.1S113S113-A115 PolarHBondContact O-N 3.14Å
116K68.4Low74Confident128 Ų12867.1 Ų67.156%0.55738%0.376SS*.G310 helixtrans-104.7-7.4178.2-72.7-174.6179-173.40114.4S113 A114 G118 D119 L120S113-K116 PolarHBondContact O-N 2.99Å; S113-K116 WeakPolarHBondContact OG-CG 3.36Å; A114-K116 PolarHBondContact O-N 3.23Å; K116-G118 PolarHBondContact O-N 3.34Å; K116-D119 PolarHBondContact O-N 2.92Å; K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.19Å; K116-L120 PolarHBondContact O-N 3.46Å; K116-L120 VanDerWaalsContact O-N 3.1Å
117G74.9Confident74.5Confident3 Ų365.8 Ų65.83%0.03137%0.365CS..Hα-helixtrans-56.6-47-174.200000113.2A114 D119 L120 L121A114-G117 PolarHBondContact O-N 3.46Å; G117-D119 PolarHBondContact O-N 3.26Å; G117-L120 PolarHBondContact O-N 2.81Å; G117-L121 WeakPolarHBondContact O-CB 3.4Å; G117-L121 WeakPolarHBondContact O-CG 3.25Å; G117-L121 PolarHBondContact O-N 3.46Å
118G81.1Confident75.7Confident7 Ų765 Ų657%0.07236%0.357CS..Hα-helixtrans-61-39.7178.200000114.3K116 L121 R122 Q167K116-G118 PolarHBondContact O-N 3.34Å; G118-L121 PolarHBondContact O-N 2.8Å; G118-R122 WeakPolarHBondContact O-CB 3.4Å; G118-R122 PolarHBondContact O-N 3.08Å; G118-Q167 VanDerWaalsContact CA-OE1 3.28Å
119D87.1Confident77.2Confident108 Ų10856.5 Ų56.558%0.57832%0.317SS*.Hα-helixtrans-68.7-40.7177.8-71.6-30.1000111.8K116 G117 L121 R122 Q123K116-D119 PolarHBondContact O-N 2.92Å; G117-D119 PolarHBondContact O-N 3.26Å; D119-L121 VanDerWaalsContact C-N 3.33Å; D119-R122 PolarHBondContact O-N 3.49Å; D119-Q123 WeakPolarHBondContact O-CB 3.28Å; D119-Q123 PolarHBondContact O-N 2.83Å
120L90.8Very high79Confident37 Ų3760.1 Ų60.119%0.19433%0.331CS..Hα-helixtrans-66.3-38176.9-60.1173.4000111.2I75 K116 G117 Q123 A124I75-L120 HydrophobicContact CG2-CB 3.83Å; I75-L120 HydrophobicContact CG2-CD1 3.97Å; K116-L120 HydrophobicContact CB-CD1 4.48Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.19Å; K116-L120 PolarHBondContact O-N 3.46Å; K116-L120 VanDerWaalsContact O-N 3.1Å; G117-L120 PolarHBondContact O-N 2.81Å; L120-Q123 PolarHBondContact O-N 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.3Å; L120-A124 PolarHBondContact O-N 3.04Å
121L91.9Very high81.1Confident0 Ų056.3 Ų56.30%030%0.301CS..Hα-helixtrans-65.8-46.8175.2-81.8163.8000112.2I32 I75 G117 G118 D119 Q123 A124 V125 V155 L164 L168I32-L121 HydrophobicContact CG2-CD2 3.88Å; I75-L121 HydrophobicContact CD1-CB 4.14Å; I75-L121 HydrophobicContact CD1-CD2 3.27Å; I75-L121 HydrophobicContact CD1-CG 3.46Å; I75-L121 VanDerWaalsContact CD1-CG 3.46Å; G117-L121 WeakPolarHBondContact O-CB 3.4Å; G117-L121 WeakPolarHBondContact O-CG 3.25Å; G117-L121 PolarHBondContact O-N 3.46Å; G118-L121 PolarHBondContact O-N 2.8Å; D119-L121 VanDerWaalsContact C-N 3.33Å; L121-Q123 VanDerWaalsContact C-N 3.26Å; L121-Q123 PolarHBondContact O-N 2.88Å; L121-A124 PolarHBondContact O-N 2.95Å; L121-V125 WeakPolarHBondContact O-CG2 3.06Å; L121-V125 PolarHBondContact O-N 3.29Å; L121-V155 HydrophobicContact CD2-CG1 3.53Å; L121-L164 HydrophobicContact CD1-CD1 3.14Å; L121-L164 HydrophobicContact CD1-CD2 3.75Å; L121-L164 HydrophobicContact CD1-CG 3.89Å; L121-L168 HydrophobicContact CB-CD2 4.13Å
122R92.6Very high82.9Confident92 Ų9253.7 Ų53.735%0.34729%0.287SS..Hα-helixtrans-53.1-48.4171.4174.8-161.5166.8152.67.4110.4G118 D119 V125 L126 G171 L172G118-R122 WeakPolarHBondContact O-CB 3.4Å; G118-R122 PolarHBondContact O-N 3.08Å; D119-R122 PolarHBondContact O-N 3.49Å; R122-V125 PolarHBondContact O-N 3.44Å; R122-L126 HydrophobicContact CG-CD1 4.11Å; R122-L126 WeakPolarHBondContact O-CG 3.47Å; R122-L126 PolarHBondContact O-N 3.3Å; R122-G171 WeakPolarHBondContact CD-O 3.36Å; R122-G171 PolarHBondContact NE-O 3.02Å; R122-G171 PolarHBondContact NH1-O 3.33Å; R122-G171 VanDerWaalsContact NH1-O 3.12Å; R122-G171 PolarHBondContact NH2-O 3.42Å; R122-L172 HydrophobicContact CG-CD2 4.06Å
123Q93.8Very high85Confident84 Ų8446.6 Ų46.639%0.39326%0.257SS..Hα-helixtrans-60.8-46.8179.9-173.460.638.400111.5P79 D119 L120 L121 V125 L126 D127P79-Q123 HydrophobicContact CG-CB 4.36Å; P79-Q123 HydrophobicContact CG-CG 4.08Å; D119-Q123 WeakPolarHBondContact O-CB 3.28Å; D119-Q123 PolarHBondContact O-N 2.83Å; L120-Q123 PolarHBondContact O-N 3.24Å; L121-Q123 VanDerWaalsContact C-N 3.26Å; L121-Q123 PolarHBondContact O-N 2.88Å; Q123-V125 VanDerWaalsContact C-N 3.33Å; Q123-V125 PolarHBondContact O-N 3.34Å; Q123-L126 PolarHBondContact O-N 3.29Å; Q123-D127 WeakPolarHBondContact CG-OD2 3.33Å; Q123-D127 PolarHBondContact NE2-OD1 2.83Å; Q123-D127 PolarHBondContact NE2-OD2 2.84Å; Q123-D127 VanDerWaalsContact NE2-OD2 3.14Å; Q123-D127 WeakPolarHBondContact O-CB 3.29Å; Q123-D127 VanDerWaalsContact O-CG 3.25Å; Q123-D127 PolarHBondContact O-N 3.34Å
124A95.8Very high86.8Confident0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-60.1-40.4177.500000112.7I32 Y73 I75 P79 L120 L121 S128I32-A124 HydrophobicContact CD1-CB 3.97Å; I32-A124 HydrophobicContact CG2-CB 3.92Å; Y73-A124 HydrophobicContact CD1-CB 4.44Å; I75-A124 HydrophobicContact CD1-CB 4.04Å; I75-A124 HydrophobicContact CG1-CB 4.43Å; P79-A124 HydrophobicContact CB-CB 4.02Å; L120-A124 WeakPolarHBondContact O-CB 3.3Å; L120-A124 PolarHBondContact O-N 3.04Å; L121-A124 PolarHBondContact O-N 2.95Å; A124-S128 WeakPolarHBondContact O-CB 3.4Å; A124-S128 PolarHBondContact O-N 2.73Å; A124-S128 PolarHBondContact O-OG 2.81Å
125V95.8Very high88.5Confident0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-60.4-52.9174.2173.50000109.9I32 L121 R122 Q123 D127 S128 L129 V153 L168 L172 L183I32-V125 HydrophobicContact CD1-CB 4.35Å; I32-V125 HydrophobicContact CD1-CG2 3.61Å; L121-V125 WeakPolarHBondContact O-CG2 3.06Å; L121-V125 PolarHBondContact O-N 3.29Å; R122-V125 PolarHBondContact O-N 3.44Å; Q123-V125 VanDerWaalsContact C-N 3.33Å; Q123-V125 PolarHBondContact O-N 3.34Å; V125-D127 PolarHBondContact O-N 3.25Å; V125-S128 PolarHBondContact O-N 2.8Å; V125-S128 PolarHBondContact O-OG 3.45Å; V125-L129 HydrophobicContact CG1-CD1 4.37Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.18Å; V125-L129 VanDerWaalsContact O-N 3.09Å; V125-V153 HydrophobicContact CG2-CG1 4.35Å; V125-L168 HydrophobicContact CG2-CD2 4.41Å; V125-L172 HydrophobicContact CB-CD2 4.35Å; V125-L172 HydrophobicContact CG1-CD1 4.19Å; V125-L172 HydrophobicContact CG1-CD2 4.02Å; V125-L183 HydrophobicContact CG2-CD1 4.29Å
126L95.2Very high90Very high40 Ų4044.8 Ų44.821%0.20921%0.212CC..Hα-helixtrans-62.1-42.3-178.4-65.2176.7000112.6R122 Q123 S128 L129 Q130 L172 A175 L177R122-L126 HydrophobicContact CG-CD1 4.11Å; R122-L126 WeakPolarHBondContact O-CG 3.47Å; R122-L126 PolarHBondContact O-N 3.3Å; Q123-L126 PolarHBondContact O-N 3.29Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 2.95Å; L126-Q130 WeakPolarHBondContact O-CB 3.42Å; L126-Q130 PolarHBondContact O-N 3.3Å; L126-L172 HydrophobicContact CD2-CD2 3.81Å; L126-L172 HydrophobicContact CG-CD2 4.03Å; L126-A175 HydrophobicContact CD2-CB 3.56Å; L126-L177 HydrophobicContact CD2-CD2 4.47Å
127D95.6Very high90.7Very high50 Ų5048 Ų4827%0.26722%0.221SC..Hα-helixtrans-62.7-41.1177.4-72.9-19.5000111.4Y73 Q123 V125 Q130 Q131Y73-D127 HydrophobicContact CE1-CB 4.2Å; Q123-D127 WeakPolarHBondContact CG-OD2 3.33Å; Q123-D127 PolarHBondContact NE2-OD1 2.83Å; Q123-D127 PolarHBondContact NE2-OD2 2.84Å; Q123-D127 VanDerWaalsContact NE2-OD2 3.14Å; Q123-D127 WeakPolarHBondContact O-CB 3.29Å; Q123-D127 VanDerWaalsContact O-CG 3.25Å; Q123-D127 PolarHBondContact O-N 3.34Å; V125-D127 PolarHBondContact O-N 3.25Å; D127-Q130 PolarHBondContact O-N 3.12Å; D127-Q131 VanDerWaalsContact O-CB 3.29Å; D127-Q131 WeakPolarHBondContact O-CB 3.43Å; D127-Q131 PolarHBondContact O-N 2.93Å
128S96.3Very high90.9Very high0 Ų055 Ų550%025%0.253CS..Hα-helixtrans-64.4-40.1176.8780000112.4Y73 A124 V125 L126 Q131 F132Y73-S128 WeakPolarHBondContact OH-CA 3.49Å; A124-S128 WeakPolarHBondContact O-CB 3.4Å; A124-S128 PolarHBondContact O-N 2.73Å; A124-S128 PolarHBondContact O-OG 2.81Å; V125-S128 PolarHBondContact O-N 2.8Å; V125-S128 PolarHBondContact O-OG 3.45Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 2.92Å; S128-Q131 PolarHBondContact O-N 3.35Å; S128-F132 WeakPolarHBondContact O-CB 3.29Å; S128-F132 PolarHBondContact O-N 2.85Å
129L94.7Very high90.6Very high3 Ų358.4 Ų58.42%0.01627%0.272CS..Hα-helixtrans-68.7-38.6176.8-62.6-178.1000111.4V125 L126 F132 K133 V151 V153 L177 P179 L180V125-L129 HydrophobicContact CG1-CD1 4.37Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 3.18Å; V125-L129 VanDerWaalsContact O-N 3.09Å; L126-L129 PolarHBondContact O-N 2.95Å; L129-F132 PolarHBondContact O-N 3.43Å; L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.39Å; L129-V151 HydrophobicContact CD2-CB 4.29Å; L129-V151 HydrophobicContact CD2-CG1 4.39Å; L129-V153 HydrophobicContact CD2-CG2 4.41Å; L129-L177 HydrophobicContact CD1-CD2 3.66Å; L129-P179 HydrophobicContact CB-CG 4.41Å; L129-P179 HydrophobicContact CD2-CG 4.23Å; L129-L180 HydrophobicContact CD1-CB 4.17Å; L129-L180 HydrophobicContact CD1-CD2 4.46Å; L129-L180 HydrophobicContact CD2-CB 4.08Å; L129-L180 HydrophobicContact CD2-CD1 4.2Å
130Q94.1Very high89.5Confident106 Ų10655.7 Ų55.750%0.49526%0.262SS..Hα-helixtrans-65.5-44.7174.2-178.7173.9-20.700111.4L126 D127 F132 K133 Q134L126-Q130 WeakPolarHBondContact O-CB 3.42Å; L126-Q130 PolarHBondContact O-N 3.3Å; D127-Q130 PolarHBondContact O-N 3.12Å; Q130-F132 VanDerWaalsContact C-N 3.26Å; Q130-F132 PolarHBondContact O-N 2.81Å; Q130-K133 PolarHBondContact O-N 3.46Å; Q130-Q134 WeakPolarHBondContact O-CG 3.24Å; Q130-Q134 PolarHBondContact O-N 3.42Å
131Q94.1Very high87.6Confident37 Ų3760.5 Ų60.517%0.17329%0.293CS..Hα-helixtrans-58-41.6175.2-172.5-172.471.500110.7S71 Y73 C81 F85 D127 S128 Q134 F135S71-Q131 PolarHBondContact OG-OE1 3.18Å; Y73-Q131 PolarHBondContact OH-OE1 3.44Å; C81-Q131 PolarHBondContact SG-NE2 3.48Å; F85-Q131 HydrophobicContact CD2-CB 4.45Å; F85-Q131 HydrophobicContact CD2-CG 3.97Å; F85-Q131 VanDerWaalsContact CD2-OE1 3.27Å; F85-Q131 HydrophobicContact CE2-CB 4.32Å; F85-Q131 HydrophobicContact CE2-CG 4.32Å; D127-Q131 VanDerWaalsContact O-CB 3.29Å; D127-Q131 WeakPolarHBondContact O-CB 3.43Å; D127-Q131 PolarHBondContact O-N 2.93Å; S128-Q131 PolarHBondContact O-N 3.35Å; Q131-Q134 PolarHBondContact O-N 3.28Å; Q131-F135 WeakPolarHBondContact O-CB 3.31Å; Q131-F135 PolarHBondContact O-N 3.21Å
132F92.6Very high85.6Confident8 Ų863.3 Ų63.34%0.03532%0.321CS..Hα-helixtrans-63.7-46.9176.3-176.5-108.5000112.4A28 L69 F85 S128 L129 Q130 Q134 F135 I136 A149 V151 P179A28-F132 HydrophobicContact CB-CD2 4.06Å; A28-F132 HydrophobicContact CB-CE2 3.52Å; A28-F132 HydrophobicContact CB-CZ 4.3Å; L69-F132 HydrophobicContact CD1-CE2 4.46Å; F85-F132 HydrophobicContact CD2-CB 4.35Å; F85-F132 HydrophobicContact CD2-CD2 4.43Å; F85-F132 HydrophobicContact CE1-CD2 4.08Å; F85-F132 HydrophobicContact CE2-CB 3.52Å; F85-F132 AromaticContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CD2 4Å; F85-F132 HydrophobicContact CE2-CG 4.27Å; F85-F132 HydrophobicContact CZ-CB 3.79Å; F85-F132 AromaticContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CD2 3.78Å; F85-F132 HydrophobicContact CZ-CG 4.21Å; S128-F132 WeakPolarHBondContact O-CB 3.29Å; S128-F132 PolarHBondContact O-N 2.85Å; L129-F132 PolarHBondContact O-N 3.43Å; Q130-F132 VanDerWaalsContact C-N 3.26Å; Q130-F132 PolarHBondContact O-N 2.81Å; F132-Q134 VanDerWaalsContact C-N 3.25Å; F132-Q134 PolarHBondContact O-N 2.89Å; F132-F135 PolarHBondContact O-N 3.18Å; F132-I136 HydrophobicContact CD1-CG1 4.19Å; F132-I136 HydrophobicContact CD2-CG1 4.16Å; F132-I136 HydrophobicContact CE1-CD1 4.49Å; F132-I136 HydrophobicContact CE1-CG1 3.81Å; F132-I136 HydrophobicContact CE2-CD1 3.83Å; F132-I136 HydrophobicContact CE2-CG1 3.75Å; F132-I136 HydrophobicContact CG-CG1 4.38Å; F132-I136 HydrophobicContact CZ-CD1 3.8Å; F132-I136 HydrophobicContact CZ-CG1 3.6Å; F132-I136 WeakPolarHBondContact O-CG1 3.5Å; F132-I136 PolarHBondContact O-N 2.74Å; F132-A149 HydrophobicContact CE1-CB 4.06Å; F132-A149 HydrophobicContact CZ-CB 3.76Å; F132-V151 HydrophobicContact CB-CG2 3.83Å; F132-V151 HydrophobicContact CD1-CG2 3.21Å; F132-V151 HydrophobicContact CD2-CG2 3.48Å; F132-V151 VanDerWaalsContact CD2-CG2 3.48Å; F132-V151 HydrophobicContact CE1-CG2 3.44Å; F132-V151 VanDerWaalsContact CE1-CG2 3.44Å; F132-V151 HydrophobicContact CE2-CG2 3.71Å; F132-V151 HydrophobicContact CG-CG2 3.2Å; F132-V151 HydrophobicContact CZ-CG2 3.66Å; F132-P179 HydrophobicContact CD1-CB 4Å; F132-P179 HydrophobicContact CE1-CB 4.18Å
133K90.9Very high83.2Confident52 Ų5267.6 Ų67.623%0.22635%0.351CS..Hα-helixtrans-56.7-42.3176.4-72.3172-169.8175.60111L129 Q130 R137 D176 P179L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.39Å; Q130-K133 PolarHBondContact O-N 3.46Å; K133-R137 WeakPolarHBondContact O-CB 3.43Å; K133-R137 WeakPolarHBondContact O-CD 3.43Å; K133-R137 WeakPolarHBondContact O-CG 3.44Å; K133-R137 PolarHBondContact O-N 3.35Å; K133-D176 PolarHBondContact NZ-O 3.12Å; K133-D176 VanDerWaalsContact NZ-O 3.08Å; K133-D176 IonicContact NZ-OD1 2.78Å; K133-D176 PolarHBondContact NZ-OD1 3.46Å; K133-D176 IonicContact NZ-OD2 2.9Å; K133-D176 PolarHBondContact NZ-OD2 2.84Å; K133-P179 HydrophobicContact CG-CG 4.4Å
134Q89.8Confident81Confident94 Ų9472.2 Ų72.244%0.43937%0.373SS..Hα-helixtrans-67-47.3176.3-70.4176.7-9.500111.6Q130 Q131 F132 I136 R137 H138Q130-Q134 WeakPolarHBondContact O-CG 3.24Å; Q130-Q134 PolarHBondContact O-N 3.42Å; Q131-Q134 PolarHBondContact O-N 3.28Å; F132-Q134 VanDerWaalsContact C-N 3.25Å; F132-Q134 PolarHBondContact O-N 2.89Å; Q134-I136 PolarHBondContact O-N 2.83Å; Q134-R137 PolarHBondContact O-N 3.33Å; Q134-H138 PolarHBondContact O-CD2 3.41Å; Q134-H138 PolarHBondContact O-N 3.31Å
135F88.8Confident78.5Confident59 Ų5975.9 Ų75.926%0.25940%0.403SS..Hα-helixtrans-54.2-53.9178.6-179.3-87.8000111.3L69 F85 Q131 F132 R137 H138 T139L69-F135 HydrophobicContact CD1-CD1 3.93Å; L69-F135 HydrophobicContact CD1-CE1 3.39Å; L69-F135 HydrophobicContact CD1-CZ 4.05Å; L69-F135 HydrophobicContact CD2-CE1 3.87Å; L69-F135 HydrophobicContact CD2-CZ 3.63Å; L69-F135 HydrophobicContact CG-CE1 4.29Å; F85-F135 HydrophobicContact CB-CD2 3.81Å; F85-F135 HydrophobicContact CB-CE2 4.09Å; F85-F135 HydrophobicContact CB-CG 4.09Å; Q131-F135 WeakPolarHBondContact O-CB 3.31Å; Q131-F135 PolarHBondContact O-N 3.21Å; F132-F135 PolarHBondContact O-N 3.18Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 2.83Å; F135-H138 PolarHBondContact O-N 3.38Å; F135-H138 VanDerWaalsContact O-N 3.14Å; F135-T139 HydrophobicContact CD1-CG2 4.23Å; F135-T139 HydrophobicContact CD2-CG2 4.47Å; F135-T139 HydrophobicContact CE1-CG2 3.81Å; F135-T139 HydrophobicContact CE2-CG2 4.11Å; F135-T139 HydrophobicContact CZ-CG2 3.76Å; F135-T139 WeakPolarHBondContact O-CG2 3.4Å; F135-T139 PolarHBondContact O-N 3.18Å; F135-T139 PolarHBondContact O-OG1 3.06Å; F135-T139 VanDerWaalsContact O-OG1 3.04Å
136I85.1Confident76.3Confident33 Ų3378.6 Ų78.617%0.16942%0.421CS..Hα-helixtrans-61.3-39.7-179.4-63.6-64.7000111.4F132 Q134 H138 T139 S140 C146 A149F132-I136 HydrophobicContact CD1-CG1 4.19Å; F132-I136 HydrophobicContact CD2-CG1 4.16Å; F132-I136 HydrophobicContact CE1-CD1 4.49Å; F132-I136 HydrophobicContact CE1-CG1 3.81Å; F132-I136 HydrophobicContact CE2-CD1 3.83Å; F132-I136 HydrophobicContact CE2-CG1 3.75Å; F132-I136 HydrophobicContact CG-CG1 4.38Å; F132-I136 HydrophobicContact CZ-CD1 3.8Å; F132-I136 HydrophobicContact CZ-CG1 3.6Å; F132-I136 WeakPolarHBondContact O-CG1 3.5Å; F132-I136 PolarHBondContact O-N 2.74Å; Q134-I136 PolarHBondContact O-N 2.83Å; I136-H138 VanDerWaalsContact C-N 3.34Å; I136-H138 PolarHBondContact O-N 3.05Å; I136-T139 PolarHBondContact O-OG1 3.25Å; I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.37Å; I136-S140 PolarHBondContact O-N 3.02Å; I136-S140 VanDerWaalsContact O-N 3.11Å; I136-S140 PolarHBondContact O-OG 2.79Å; I136-C146 HydrophobicContact CG2-CB 4.11Å; I136-A149 HydrophobicContact CD1-CB 4.06Å; I136-A149 HydrophobicContact CG1-CB 4.3Å
137R83.3Confident74.1Confident194 Ų19481.1 Ų81.173%0.73244%0.442SS*.Hα-helixtrans-61.6-40176.5-76.2171.3-177.1-170.11.6112.4K133 Q134 F135K133-R137 WeakPolarHBondContact O-CB 3.43Å; K133-R137 WeakPolarHBondContact O-CD 3.43Å; K133-R137 WeakPolarHBondContact O-CG 3.44Å; K133-R137 PolarHBondContact O-N 3.35Å; Q134-R137 PolarHBondContact O-N 3.33Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 2.83Å
138H79.8Confident72.3Confident152 Ų15283.9 Ų83.970%0.70446%0.457SS*.Hα-helixtrans-79.2-32.7-178.3-75.4-66.2000113.5Q134 F135 I136Q134-H138 PolarHBondContact O-CD2 3.41Å; Q134-H138 PolarHBondContact O-N 3.31Å; F135-H138 PolarHBondContact O-N 3.38Å; F135-H138 VanDerWaalsContact O-N 3.14Å; I136-H138 VanDerWaalsContact C-N 3.34Å; I136-H138 PolarHBondContact O-N 3.05Å
139T73.9Confident71.4Confident77 Ų7785.1 Ų85.147%0.47247%0.467SS..Hα-helixtrans-82.8-18.5179.7560000113.5F135 I136 T141F135-T139 HydrophobicContact CD1-CG2 4.23Å; F135-T139 HydrophobicContact CD2-CG2 4.47Å; F135-T139 HydrophobicContact CE1-CG2 3.81Å; F135-T139 HydrophobicContact CE2-CG2 4.11Å; F135-T139 HydrophobicContact CZ-CG2 3.76Å; F135-T139 WeakPolarHBondContact O-CG2 3.4Å; F135-T139 PolarHBondContact O-N 3.18Å; F135-T139 PolarHBondContact O-OG1 3.06Å; F135-T139 VanDerWaalsContact O-OG1 3.04Å; I136-T139 PolarHBondContact O-OG1 3.25Å; T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.25Å; T139-T141 VanDerWaalsContact O-N 3.07Å
140S64.6Low71Confident52 Ų5286.1 Ų86.136%0.36447%0.474SS..  trans-8567-179-54.80000112I136 G142I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.37Å; I136-S140 PolarHBondContact O-N 3.02Å; I136-S140 VanDerWaalsContact O-N 3.11Å; I136-S140 PolarHBondContact O-OG 2.79Å; S140-G142 PolarHBondContact O-N 3.09Å
141T52.2Low70.8Confident138 Ų13881 Ų8185%0.84745%0.451SS*.  trans-93.587.1170.832.10000110.2T139T139-T141 VanDerWaalsContact C-N 3.33Å; T139-T141 PolarHBondContact O-N 3.25Å; T139-T141 VanDerWaalsContact O-N 3.07Å
142G48.5Very low70.8Confident58 Ų5879.6 Ų79.660%0.59844%0.444SS*.SBendtrans145.7146.817600000112.4S140 Q144S140-G142 PolarHBondContact O-N 3.09Å; G142-Q144 PolarHBondContact O-N 2.95Å
143N42Very low71Confident182 Ų18279.2 Ų79.297%0.97344%0.442SS*.SBendtrans-61.225.2-168.1-112.26.2000117.7
144Q48.3Very low71.3Confident182 Ų18276.9 Ų76.985%0.8543%0.433SS*.  trans-110.789.3167.7-69.4-17416.800109G142 C146G142-Q144 PolarHBondContact O-N 2.95Å; Q144-C146 PolarHBondContact O-N 3.01Å
145A43.3Very low71.7Confident76 Ų7672.4 Ų72.463%0.62841%0.412SS*.  trans-54122.117600000110.8S147A145-S147 PolarHBondContact O-N 3.06Å
146C49.8Very low72.1Confident57 Ų5769.8 Ų69.839%0.38540%0.4SS..  trans-72.454.7166.2-145.50000109.7I136 Q144 N148 A149I136-C146 HydrophobicContact CG2-CB 4.11Å; Q144-C146 PolarHBondContact O-N 3.01Å; C146-N148 PolarHBondContact O-N 3.02Å; C146-A149 HydrophobicContact CB-CB 4.36Å; C146-A149 PolarHBondContact O-N 3.21Å
147S49.5Very low72.4Confident93 Ų9368.3 Ų68.365%0.6539%0.393SS*.THydrogen-bonded Turntrans-68.1-9.6-167.273.80000114.5A145A145-S147 PolarHBondContact O-N 3.06Å
148N57.9Low72.8Confident108 Ų10860.5 Ų60.558%0.57837%0.368SS*.THydrogen-bonded Turntrans-131.837178.9-33.7-6.2000110.6R25 C146R25-N148 PolarHBondContact NH1-OD1 3.23Å; C146-N148 PolarHBondContact O-N 3.02Å
149A76.3Confident73.1Confident26 Ų2656.4 Ų56.422%0.21535%0.349CS..  trans-72.9125.4169.700000108.8F132 I136 C146F132-A149 HydrophobicContact CE1-CB 4.06Å; F132-A149 HydrophobicContact CZ-CB 3.76Å; I136-A149 HydrophobicContact CD1-CB 4.06Å; I136-A149 HydrophobicContact CG1-CB 4.3Å; C146-A149 HydrophobicContact CB-CB 4.36Å; C146-A149 PolarHBondContact O-N 3.21Å
150S86.4Confident73.8Confident24 Ų2456.3 Ų56.317%0.16835%0.35CS..  trans-126163-179.560.80000111.9A27 A28 P179A27-S150 WeakPolarHBondContact CA-O 3.47Å; A28-S150 PolarHBondContact N-O 3.24Å; S150-P179 CarbonylContact C-O 3.53Å; S150-P179 WeakPolarHBondContact CA-O 3.35Å
151V91Very high74.8Confident0 Ų053.8 Ų53.80%033%0.332CS..EExtended strand (participates in β ladder)trans-124.9138-179.1-176.50000109.1A28 V30 L129 F132 V153 P179 R181A28-V151 HydrophobicContact CB-CG2 4.37Å; A28-V151 WeakPolarHBondContact O-CA 3.4Å; V30-V151 HydrophobicContact CB-CG1 4.41Å; V30-V151 HydrophobicContact CG2-CG1 3.54Å; L129-V151 HydrophobicContact CD2-CB 4.29Å; L129-V151 HydrophobicContact CD2-CG1 4.39Å; F132-V151 HydrophobicContact CB-CG2 3.83Å; F132-V151 HydrophobicContact CD1-CG2 3.21Å; F132-V151 HydrophobicContact CD2-CG2 3.48Å; F132-V151 VanDerWaalsContact CD2-CG2 3.48Å; F132-V151 HydrophobicContact CE1-CG2 3.44Å; F132-V151 VanDerWaalsContact CE1-CG2 3.44Å; F132-V151 HydrophobicContact CE2-CG2 3.71Å; F132-V151 HydrophobicContact CG-CG2 3.2Å; F132-V151 HydrophobicContact CZ-CG2 3.66Å; V151-V153 HydrophobicContact CG1-CG2 4.01Å; V151-P179 PolarHBondContact N-O 3.21Å; V151-R181 PolarHBondContact O-N 2.81Å
152E93.1Very high76.6Confident6 Ų656.2 Ų56.23%0.02833%0.326CS..EExtended strand (participates in β ladder)trans-112.5125.8165.6-66.4-177.6-143.900108.8A27 A28 R29 V30 R181 R182A27-E152 HydrophobicContact CB-CB 4.43Å; A27-E152 HydrophobicContact CB-CG 3.77Å; A28-E152 PolarHBondContact O-N 3.15Å; R29-E152 IonicContact CZ-OE2 3.47Å; R29-E152 VanDerWaalsContact NH1-CD 3.35Å; R29-E152 IonicContact NH1-OE2 3.64Å; R29-E152 PolarHBondContact NH1-OE2 3.36Å; R29-E152 IonicContact NH2-OE1 3.83Å; R29-E152 PolarHBondContact NH2-OE1 3.23Å; R29-E152 IonicContact NH2-OE2 2.85Å; R29-E152 PolarHBondContact NH2-OE2 3.21Å; V30-E152 PolarHBondContact N-O 2.93Å; E152-R181 HydrophobicContact CG-CB 4.1Å; E152-R181 HydrophobicContact CG-CG 4.35Å; E152-R181 IonicContact OE1-NE 3.56Å; E152-R182 WeakPolarHBondContact CA-O 3.36Å; E152-R182 HydrophobicContact CB-CB 4.34Å; E152-R182 HydrophobicContact CG-CB 3.86Å
153V96.4Very high78.4Confident1 Ų156.2 Ų56.21%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-105.5129.7-177.8-179.90000108.7V30 I32 V125 L129 V151 V155 L180 R182 L183 L184V30-V153 HydrophobicContact CB-CB 4.42Å; V30-V153 HydrophobicContact CB-CG1 4.35Å; V30-V153 HydrophobicContact CB-CG2 4.02Å; V30-V153 HydrophobicContact CG1-CG1 4.31Å; V30-V153 HydrophobicContact CG2-CG2 4.36Å; V30-V153 WeakPolarHBondContact O-CA 3.38Å; I32-V153 HydrophobicContact CD1-CG1 3.69Å; I32-V153 HydrophobicContact CG1-CG1 4.12Å; V125-V153 HydrophobicContact CG2-CG1 4.35Å; L129-V153 HydrophobicContact CD2-CG2 4.41Å; V151-V153 HydrophobicContact CG1-CG2 4.01Å; V153-V155 HydrophobicContact CG1-CG2 4.42Å; V153-L180 HydrophobicContact CB-CD1 4.02Å; V153-L180 HydrophobicContact CG2-CD1 3.48Å; V153-L180 VanDerWaalsContact CG2-CD1 3.48Å; V153-R182 PolarHBondContact N-O 2.94Å; V153-L183 HydrophobicContact CB-CD1 3.59Å; V153-L183 HydrophobicContact CG1-CD1 3.51Å; V153-L183 WeakPolarHBondContact O-CA 3.48Å; V153-L184 PolarHBondContact O-N 3.06Å
154T97.8Very high80.6Confident3 Ų347.8 Ų47.82%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-116.2122.6172.9-57.30000109.1V30 L31 I32 V156 L184 V186 W242V30-T154 PolarHBondContact O-N 3.21Å; L31-T154 CarbonylContact C-O 3.54Å; L31-T154 WeakPolarHBondContact CA-O 3.41Å; L31-T154 HydrophobicContact CD1-CG2 4.26Å; I32-T154 PolarHBondContact N-O 2.91Å; T154-V156 HydrophobicContact CG2-CG2 4.44Å; T154-L184 CarbonylContact C-O 3.59Å; T154-L184 VanDerWaalsContact CA-O 3.31Å; T154-L184 WeakPolarHBondContact CA-O 3.41Å; T154-L184 HydrophobicContact CG2-CD2 4.27Å; T154-L184 HydrophobicContact CG2-CG 4.49Å; T154-V186 HydrophobicContact CG2-CG2 3.61Å; T154-W242 HydrophobicContact CG2-CZ2 4.17Å
155V97.3Very high82.6Confident0 Ų040 Ų400%024%0.235CC..EExtended strand (participates in β ladder)trans-102.3121.3176.1177.10000108.2I32 L121 V153 L164 L183 L184 V185 V186I32-V155 HydrophobicContact CB-CG2 4.27Å; I32-V155 HydrophobicContact CD1-CG2 4.41Å; I32-V155 CarbonylContact O-C 3.58Å; I32-V155 VanDerWaalsContact O-CA 3.31Å; I32-V155 WeakPolarHBondContact O-CA 3.46Å; L121-V155 HydrophobicContact CD2-CG1 3.53Å; V153-V155 HydrophobicContact CG1-CG2 4.42Å; V155-L164 HydrophobicContact CG1-CD2 4.11Å; V155-L183 HydrophobicContact CG2-CD1 4.06Å; V155-L184 PolarHBondContact N-O 2.85Å; V155-V185 HydrophobicContact CB-CG2 4.37Å; V155-V185 CarbonylContact O-C 3.6Å; V155-V185 WeakPolarHBondContact O-CA 3.28Å; V155-V186 PolarHBondContact O-N 3.24Å
156V96.9Very high84.8Confident4 Ų442 Ų422%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-103.5127.5175.4-179.60000109.1L31 I32 E34 L47 T154 V186 I188 M235L31-V156 HydrophobicContact CD1-CG2 3.64Å; I32-V156 PolarHBondContact O-N 2.93Å; E34-V156 WeakPolarHBondContact CB-O 3.32Å; E34-V156 PolarHBondContact N-O 2.98Å; L47-V156 HydrophobicContact CD1-CG1 4.4Å; L47-V156 HydrophobicContact CD1-CG2 4.48Å; L47-V156 HydrophobicContact CD2-CG1 4.14Å; T154-V156 HydrophobicContact CG2-CG2 4.44Å; V156-V186 WeakPolarHBondContact CA-O 3.47Å; V156-V186 HydrophobicContact CG2-CB 4.25Å; V156-I188 HydrophobicContact CG1-CD1 3.58Å; V156-I188 HydrophobicContact CG1-CG1 4.06Å; V156-M235 HydrophobicContact CG2-CE 3.73Å
157T93.3Very high86.6Confident1 Ų143.6 Ų43.61%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-141.8149.7-175175.50000111.5E34 Q159 L164 V185 V186 Q187 I188E34-T157 WeakPolarHBondContact OE2-CB 3.27Å; E34-T157 PolarHBondContact OE2-OG1 3.45Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.4Å; T157-Q159 PolarHBondContact OG1-N 3.2Å; T157-L164 HydrophobicContact CG2-CD2 3.78Å; T157-V185 HydrophobicContact CG2-CG1 3.85Å; T157-V186 PolarHBondContact N-O 2.97Å; T157-Q187 HydrophobicContact CG2-CB 4.43Å; T157-Q187 CarbonylContact O-C 3.59Å; T157-Q187 WeakPolarHBondContact O-CA 3.45Å; T157-I188 PolarHBondContact O-N 2.69Å
158S90.4Very high88.6Confident30 Ų3039.2 Ų39.221%0.2120%0.203CC..SBendtrans-96.1-7.4166.4-59.60000112.6G39 T43G39-S158 PolarHBondContact O-OG 3.14Å; T43-S158 VanDerWaalsContact CG2-OG 3.31Å; T43-S158 WeakPolarHBondContact CG2-OG 3.31Å; T43-S158 PolarHBondContact OG1-OG 2.91Å
159Q86.9Confident90.2Very high67 Ų6735.6 Ų35.631%0.31318%0.182SC..SBendtrans-79.7162.4179.9-61-63.7-29.600111E34 T157 G161 Q187E34-Q159 WeakPolarHBondContact OE2-CG 3.32Å; T157-Q159 WeakPolarHBondContact OG1-CB 3.4Å; T157-Q159 PolarHBondContact OG1-N 3.2Å; Q159-G161 PolarHBondContact O-N 2.82Å; Q159-Q187 WeakPolarHBondContact O-CG 3.14Å
160P87.4Confident90.7Very high74 Ų7438.2 Ų38.248%0.48120%0.199SC..  trans-56.6112.4173.8-23.834.4000111.6R162 S163 L164P160-R162 VanDerWaalsContact C-N 3.3Å; P160-R162 PolarHBondContact O-N 2.97Å; P160-S163 PolarHBondContact O-N 2.71Å; P160-S163 PolarHBondContact O-OG 2.83Å; P160-L164 PolarHBondContact O-N 3.43Å
161G86.9Confident90.7Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-66.9-28.9-170.600000113.8Q159 L164 I165Q159-G161 PolarHBondContact O-N 2.82Å; G161-L164 WeakPolarHBondContact O-CB 3.2Å; G161-L164 PolarHBondContact O-N 3.14Å; G161-I165 WeakPolarHBondContact O-CG1 3.43Å; G161-I165 PolarHBondContact O-N 3.45Å
162R88.5Confident90.7Very high188 Ų18837.5 Ų37.571%0.70920%0.196SC*.Hα-helixtrans-63.3-44.5178.5-68.7-172.6179.7-177.6-1112.9P160 L164 I165 H166 L225P160-R162 VanDerWaalsContact C-N 3.3Å; P160-R162 PolarHBondContact O-N 2.97Å; R162-L164 PolarHBondContact O-N 2.79Å; R162-I165 PolarHBondContact O-N 2.76Å; R162-H166 PolarHBondContact O-CD2 3.47Å; R162-H166 VanDerWaalsContact O-CD2 3.3Å; R162-H166 PolarHBondContact O-N 3.32Å; R162-L225 HydrophobicContact CG-CD2 3.76Å
163S86.6Confident90.5Very high58 Ų5843.7 Ų43.741%0.40622%0.222SC..Hα-helixtrans-64.8-35.3175.140.50000111.5P160 H166 Q167P160-S163 PolarHBondContact O-N 2.71Å; P160-S163 PolarHBondContact O-OG 2.83Å; S163-H166 PolarHBondContact O-N 3.24Å; S163-Q167 WeakPolarHBondContact O-CG 3.24Å; S163-Q167 PolarHBondContact O-N 3.35Å; S163-Q167 VanDerWaalsContact O-N 3.12Å
164L88.3Confident89.9Confident6 Ų647.7 Ų47.73%0.03126%0.264CS..Hα-helixtrans-68.1-40.4179.2-166.168.7000112.2L121 V155 T157 P160 G161 R162 Q167 L168 V185L121-L164 HydrophobicContact CD1-CD1 3.14Å; L121-L164 HydrophobicContact CD1-CD2 3.75Å; L121-L164 HydrophobicContact CD1-CG 3.89Å; V155-L164 HydrophobicContact CG1-CD2 4.11Å; T157-L164 HydrophobicContact CG2-CD2 3.78Å; P160-L164 PolarHBondContact O-N 3.43Å; G161-L164 WeakPolarHBondContact O-CB 3.2Å; G161-L164 PolarHBondContact O-N 3.14Å; R162-L164 PolarHBondContact O-N 2.79Å; L164-Q167 PolarHBondContact O-N 3.21Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.78Å; L164-V185 HydrophobicContact CD2-CG1 3.96Å
165I90.6Very high89.4Confident17 Ų1749.1 Ų49.19%0.08728%0.276CS..Hα-helixtrans-58.5-50174.5-73.8166.2000110.4G161 R162 Q167 L168 E169 V185 V223 L225G161-I165 WeakPolarHBondContact O-CG1 3.43Å; G161-I165 PolarHBondContact O-N 3.45Å; R162-I165 PolarHBondContact O-N 2.76Å; I165-Q167 VanDerWaalsContact C-N 3.26Å; I165-Q167 PolarHBondContact O-N 2.87Å; I165-L168 PolarHBondContact O-N 2.96Å; I165-E169 HydrophobicContact CG2-CG 4.03Å; I165-E169 WeakPolarHBondContact O-CB 3.32Å; I165-E169 WeakPolarHBondContact O-CG 3.37Å; I165-E169 PolarHBondContact O-N 3.38Å; I165-V185 HydrophobicContact CD1-CB 4.44Å; I165-V185 HydrophobicContact CG1-CB 4.24Å; I165-V185 HydrophobicContact CG1-CG2 3.89Å; I165-V223 HydrophobicContact CB-CG1 4.5Å; I165-V223 HydrophobicContact CG1-CG1 3.87Å; I165-V223 HydrophobicContact CG2-CB 4.15Å; I165-V223 HydrophobicContact CG2-CG1 4.24Å; I165-L225 HydrophobicContact CD1-CB 3.46Å; I165-L225 VanDerWaalsContact CD1-CB 3.46Å; I165-L225 HydrophobicContact CD1-CD1 3.99Å; I165-L225 HydrophobicContact CD1-CD2 4.24Å; I165-L225 HydrophobicContact CD1-CG 4.07Å
166H88.8Confident88.9Confident119 Ų11953.6 Ų53.655%0.55130%0.3SS*.Hα-helixtrans-60.2-35.6177.9-69.8-44.3000113.2R162 S163 E169 S170R162-H166 PolarHBondContact O-CD2 3.47Å; R162-H166 VanDerWaalsContact O-CD2 3.3Å; R162-H166 PolarHBondContact O-N 3.32Å; S163-H166 PolarHBondContact O-N 3.24Å; H166-E169 IonicContact ND1-OE2 3.27Å; H166-E169 PolarHBondContact ND1-OE2 3.25Å; H166-S170 VanDerWaalsContact O-CB 3.3Å; H166-S170 WeakPolarHBondContact O-CB 3.32Å; H166-S170 PolarHBondContact O-N 3.24Å; H166-S170 VanDerWaalsContact O-N 3.08Å; H166-S170 PolarHBondContact O-OG 3.37Å
167Q88.6Confident88.6Confident91 Ų9154.4 Ų54.443%0.42530%0.304SS..Hα-helixtrans-68.5-40.5174.6-71.8174.81.400112.1G118 S163 L164 I165 S170 G171G118-Q167 VanDerWaalsContact CA-OE1 3.28Å; S163-Q167 WeakPolarHBondContact O-CG 3.24Å; S163-Q167 PolarHBondContact O-N 3.35Å; S163-Q167 VanDerWaalsContact O-N 3.12Å; L164-Q167 PolarHBondContact O-N 3.21Å; I165-Q167 VanDerWaalsContact C-N 3.26Å; I165-Q167 PolarHBondContact O-N 2.87Å; Q167-S170 PolarHBondContact O-OG 3.02Å; Q167-S170 VanDerWaalsContact O-OG 3.1Å; Q167-G171 WeakPolarHBondContact O-CA 3.42Å; Q167-G171 PolarHBondContact O-N 2.95Å
168L91.2Very high88.3Confident0 Ų060.6 Ų60.60%034%0.342CS..Hα-helixtrans-68.9-45.6176.5-74.5170.2000111.9L121 V125 L164 I165 S170 G171 L172 L183 V185L121-L168 HydrophobicContact CB-CD2 4.13Å; V125-L168 HydrophobicContact CG2-CD2 4.41Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 WeakPolarHBondContact O-CG 3.34Å; L164-L168 PolarHBondContact O-N 2.78Å; I165-L168 PolarHBondContact O-N 2.96Å; L168-S170 PolarHBondContact O-N 2.98Å; L168-G171 PolarHBondContact O-N 3.12Å; L168-L172 HydrophobicContact CB-CD1 4.43Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.25Å; L168-L183 HydrophobicContact CD1-CD2 4.4Å; L168-V185 HydrophobicContact CD1-CG2 3.91Å
169E90.6Very high88.1Confident32 Ų3259.8 Ų59.815%0.1534%0.336CS..Hα-helixtrans-58.6-47.7176.7-71.6176.6136.200111.3I165 H166 K173 S216 V223I165-E169 HydrophobicContact CG2-CG 4.03Å; I165-E169 WeakPolarHBondContact O-CB 3.32Å; I165-E169 WeakPolarHBondContact O-CG 3.37Å; I165-E169 PolarHBondContact O-N 3.38Å; H166-E169 IonicContact ND1-OE2 3.27Å; H166-E169 PolarHBondContact ND1-OE2 3.25Å; E169-K173 PolarHBondContact O-N 2.79Å; E169-S216 PolarHBondContact OE1-OG 3.07Å; E169-V223 HydrophobicContact CG-CG2 4.06Å
170S87.6Confident88.3Confident81 Ų8157.1 Ų57.157%0.56632%0.323SS*.Hα-helixtrans-69-40.3178.259.20000112.3H166 Q167 L168 K173H166-S170 VanDerWaalsContact O-CB 3.3Å; H166-S170 WeakPolarHBondContact O-CB 3.32Å; H166-S170 PolarHBondContact O-N 3.24Å; H166-S170 VanDerWaalsContact O-N 3.08Å; H166-S170 PolarHBondContact O-OG 3.37Å; Q167-S170 PolarHBondContact O-OG 3.02Å; Q167-S170 VanDerWaalsContact O-OG 3.1Å; L168-S170 PolarHBondContact O-N 2.98Å; S170-K173 WeakPolarHBondContact O-CB 3.37Å
171G87.3Confident88.3Confident9 Ų957.6 Ų57.69%0.09332%0.316CS..Hα-helixtrans-70.4-35.718000000113.7R122 Q167 L168 K173R122-G171 WeakPolarHBondContact CD-O 3.36Å; R122-G171 PolarHBondContact NE-O 3.02Å; R122-G171 PolarHBondContact NH1-O 3.33Å; R122-G171 VanDerWaalsContact NH1-O 3.12Å; R122-G171 PolarHBondContact NH2-O 3.42Å; Q167-G171 WeakPolarHBondContact O-CA 3.42Å; Q167-G171 PolarHBondContact O-N 2.95Å; L168-G171 PolarHBondContact O-N 3.12Å; G171-K173 VanDerWaalsContact C-N 3.32Å
172L90.6Very high88.4Confident1 Ų161.4 Ų61.41%0.00533%0.33CS..Hα-helixtrans-86.8-4-179-63.3172.2000112.8R122 V125 L126 L168 G174 A175 L177 L183 L219R122-L172 HydrophobicContact CG-CD2 4.06Å; V125-L172 HydrophobicContact CB-CD2 4.35Å; V125-L172 HydrophobicContact CG1-CD1 4.19Å; V125-L172 HydrophobicContact CG1-CD2 4.02Å; L126-L172 HydrophobicContact CD2-CD2 3.81Å; L126-L172 HydrophobicContact CG-CD2 4.03Å; L168-L172 HydrophobicContact CB-CD1 4.43Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.31Å; L168-L172 PolarHBondContact O-N 3.25Å; L172-G174 PolarHBondContact O-N 3.3Å; L172-A175 WeakPolarHBondContact O-CB 3.41Å; L172-A175 PolarHBondContact O-N 2.87Å; L172-L177 HydrophobicContact CB-CD1 4.25Å; L172-L177 HydrophobicContact CD2-CD2 4.35Å; L172-L183 HydrophobicContact CD1-CD2 3.73Å; L172-L219 HydrophobicContact CB-CD2 4.03Å
173K88.1Confident88.7Confident135 Ų13552.5 Ų52.559%0.58730%0.297SS*.THydrogen-bonded Turntrans-58.3120.6176.7-165175.4-174.4173.60110.8E169 S170 G171 A175E169-K173 PolarHBondContact O-N 2.79Å; S170-K173 WeakPolarHBondContact O-CB 3.37Å; G171-K173 VanDerWaalsContact C-N 3.32Å; K173-A175 VanDerWaalsContact C-N 3.34Å
174G83.8Confident89.1Confident86 Ų8650.5 Ų50.589%0.88728%0.281SS*.THydrogen-bonded Turntrans82.44.6-179.400000115.2L172L172-G174 PolarHBondContact O-N 3.3Å
175A88.3Confident89.5Confident32 Ų3250.2 Ų50.226%0.26428%0.28SS..SBendtrans-79.2156.1171.100000112.2L126 L172 K173 L177L126-A175 HydrophobicContact CD2-CB 3.56Å; L172-A175 WeakPolarHBondContact O-CB 3.41Å; L172-A175 PolarHBondContact O-N 2.87Å; K173-A175 VanDerWaalsContact C-N 3.34Å; A175-L177 HydrophobicContact CB-CD2 4.14Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.85Å; A175-L177 VanDerWaalsContact O-N 3.1Å
176D86.9Confident89.8Confident94 Ų9449.4 Ų49.450%0.50328%0.276SS..  trans-81.287.8174.7176.59.2000111.2K133 V178K133-D176 PolarHBondContact NZ-O 3.12Å; K133-D176 VanDerWaalsContact NZ-O 3.08Å; K133-D176 IonicContact NZ-OD1 2.78Å; K133-D176 PolarHBondContact NZ-OD1 3.46Å; K133-D176 IonicContact NZ-OD2 2.9Å; K133-D176 PolarHBondContact NZ-OD2 2.84Å; D176-V178 WeakPolarHBondContact OD1-CB 3.37Å; D176-V178 WeakPolarHBondContact OD1-CG2 3.44Å; D176-V178 PolarHBondContact OD1-N 3.1Å
177L89.8Confident90.1Very high22 Ų2245 Ų4512%0.11526%0.255CS..  trans-92.613.3179.9-55-179.7000113.7L126 L129 L172 A175 P179 L180 L219L126-L177 HydrophobicContact CD2-CD2 4.47Å; L129-L177 HydrophobicContact CD1-CD2 3.66Å; L172-L177 HydrophobicContact CB-CD1 4.25Å; L172-L177 HydrophobicContact CD2-CD2 4.35Å; A175-L177 HydrophobicContact CB-CD2 4.14Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.85Å; A175-L177 VanDerWaalsContact O-N 3.1Å; L177-P179 VanDerWaalsContact C-N 3.32Å; L177-P179 VanDerWaalsContact O-N 3.12Å; L177-L180 HydrophobicContact CB-CB 4.27Å; L177-L180 HydrophobicContact CB-CD2 4.42Å; L177-L180 HydrophobicContact CD1-CD2 4.41Å; L177-L180 HydrophobicContact CD2-CD2 4.11Å; L177-L180 VanDerWaalsContact O-CB 3.29Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 PolarHBondContact O-N 3.08Å; L177-L219 HydrophobicContact CD1-CD2 3.44Å; L177-L219 VanDerWaalsContact CD1-CD2 3.44Å; L177-L219 HydrophobicContact CD1-CG 4.07Å
178V86.8Confident90.4Very high131 Ų13141 Ų4179%0.79424%0.236SC*.THydrogen-bonded Turntrans-48.1-41.7-176.9172.20000114.8D176 L180D176-V178 WeakPolarHBondContact OD1-CB 3.37Å; D176-V178 WeakPolarHBondContact OD1-CG2 3.44Å; D176-V178 PolarHBondContact OD1-N 3.1Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 2.73Å
179P87.6Confident90.3Very high13 Ų1341.5 Ų41.58%0.08424%0.24CC..THydrogen-bonded Turntrans-80.2-9.4178.731.4-34.8000114.2L129 F132 K133 S150 V151 L177 R181L129-P179 HydrophobicContact CB-CG 4.41Å; L129-P179 HydrophobicContact CD2-CG 4.23Å; F132-P179 HydrophobicContact CD1-CB 4Å; F132-P179 HydrophobicContact CE1-CB 4.18Å; K133-P179 HydrophobicContact CG-CG 4.4Å; S150-P179 CarbonylContact C-O 3.53Å; S150-P179 WeakPolarHBondContact CA-O 3.35Å; V151-P179 PolarHBondContact N-O 3.21Å; L177-P179 VanDerWaalsContact C-N 3.32Å; L177-P179 VanDerWaalsContact O-N 3.12Å; P179-R181 PolarHBondContact O-N 3.07Å
180L90.6Very high89.9Confident10 Ų1041.6 Ų41.65%0.05225%0.25CC..EExtended strand (participates in β ladder)trans-82.7108-175.4-177.564.9000110.2L129 V153 L177 V178 R182 L183 T221L129-L180 HydrophobicContact CD1-CB 4.17Å; L129-L180 HydrophobicContact CD1-CD2 4.46Å; L129-L180 HydrophobicContact CD2-CB 4.08Å; L129-L180 HydrophobicContact CD2-CD1 4.2Å; V153-L180 HydrophobicContact CB-CD1 4.02Å; V153-L180 HydrophobicContact CG2-CD1 3.48Å; V153-L180 VanDerWaalsContact CG2-CD1 3.48Å; L177-L180 HydrophobicContact CB-CB 4.27Å; L177-L180 HydrophobicContact CB-CD2 4.42Å; L177-L180 HydrophobicContact CD1-CD2 4.41Å; L177-L180 HydrophobicContact CD2-CD2 4.11Å; L177-L180 VanDerWaalsContact O-CB 3.29Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 PolarHBondContact O-N 3.08Å; V178-L180 VanDerWaalsContact C-N 3.32Å; V178-L180 PolarHBondContact O-N 2.73Å; L180-R182 VanDerWaalsContact CD1-O 3.25Å; L180-R182 WeakPolarHBondContact CD1-O 3.42Å; L180-L183 HydrophobicContact CD2-CB 4.31Å; L180-T221 HydrophobicContact CD2-CG2 3.85Å; L180-T221 HydrophobicContact CG-CG2 3.86Å
181R86.8Confident88.7Confident85 Ų8540.4 Ų40.432%0.32124%0.241SC..EExtended strand (participates in β ladder)trans-79.2-38.1174.8176.9176.3176.7150.82.6111.8V151 E152 P179 D249V151-R181 PolarHBondContact O-N 2.81Å; E152-R181 HydrophobicContact CG-CB 4.1Å; E152-R181 HydrophobicContact CG-CG 4.35Å; E152-R181 IonicContact OE1-NE 3.56Å; P179-R181 PolarHBondContact O-N 3.07Å; R181-D249 IonicContact NH1-OD2 3.96Å; R181-D249 PolarHBondContact NH1-OD2 2.84Å
182R89.1Confident87.2Confident80 Ų8047.9 Ų47.930%0.30227%0.274SS..EExtended strand (participates in β ladder)trans-154.9141.2-175.3-169.9176.5-179.1169.1-0.1111.6E152 V153 L180 D224E152-R182 WeakPolarHBondContact CA-O 3.36Å; E152-R182 HydrophobicContact CB-CB 4.34Å; E152-R182 HydrophobicContact CG-CB 3.86Å; V153-R182 PolarHBondContact N-O 2.94Å; L180-R182 VanDerWaalsContact CD1-O 3.25Å; L180-R182 WeakPolarHBondContact CD1-O 3.42Å; R182-D224 IonicContact CZ-OD2 3.52Å; R182-D224 IonicContact NE-OD2 3.35Å; R182-D224 PolarHBondContact NE-OD2 2.92Å; R182-D224 IonicContact NH2-OD2 2.74Å; R182-D224 PolarHBondContact NH2-OD2 3.38Å
183L94.2Very high85.6Confident1 Ų151.6 Ų51.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-120.8115.3168.6-176.761.2000109.2V125 V153 V155 L168 L172 L180 V223 D224V125-L183 HydrophobicContact CG2-CD1 4.29Å; V153-L183 HydrophobicContact CB-CD1 3.59Å; V153-L183 HydrophobicContact CG1-CD1 3.51Å; V153-L183 WeakPolarHBondContact O-CA 3.48Å; V155-L183 HydrophobicContact CG2-CD1 4.06Å; L168-L183 HydrophobicContact CD1-CD2 4.4Å; L172-L183 HydrophobicContact CD1-CD2 3.73Å; L180-L183 HydrophobicContact CD2-CB 4.31Å; L183-V223 HydrophobicContact CB-CG1 4.46Å; L183-V223 HydrophobicContact CB-CG2 4.48Å; L183-V223 HydrophobicContact CD2-CG1 4Å; L183-V223 HydrophobicContact CD2-CG2 3.93Å; L183-V223 HydrophobicContact CG-CG1 4.03Å; L183-V223 WeakPolarHBondContact O-CA 3.49Å; L183-D224 PolarHBondContact O-N 2.78Å
184L95.3Very high83.9Confident16 Ų1647.9 Ų47.98%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-111.3127.7179.5175.164.6000109.8V153 T154 V155 V186 D224 Q226 V238V153-L184 PolarHBondContact O-N 3.06Å; T154-L184 CarbonylContact C-O 3.59Å; T154-L184 VanDerWaalsContact CA-O 3.31Å; T154-L184 WeakPolarHBondContact CA-O 3.41Å; T154-L184 HydrophobicContact CG2-CD2 4.27Å; T154-L184 HydrophobicContact CG2-CG 4.49Å; V155-L184 PolarHBondContact N-O 2.85Å; L184-V186 HydrophobicContact CD2-CG2 3.93Å; L184-V186 HydrophobicContact CG-CG2 3.94Å; L184-D224 HydrophobicContact CD1-CB 3.63Å; L184-Q226 HydrophobicContact CD1-CB 3.95Å; L184-V238 HydrophobicContact CD2-CG1 4.49Å
185V96.6Very high82.1Confident0 Ų049.6 Ų49.60%027%0.27CS..EExtended strand (participates in β ladder)trans-100.1120.2169.2179.50000108.8V155 T157 L164 I165 L168 V223 D224 L225 Q226V155-V185 HydrophobicContact CB-CG2 4.37Å; V155-V185 CarbonylContact O-C 3.6Å; V155-V185 WeakPolarHBondContact O-CA 3.28Å; T157-V185 HydrophobicContact CG2-CG1 3.85Å; L164-V185 HydrophobicContact CD2-CG1 3.96Å; I165-V185 HydrophobicContact CD1-CB 4.44Å; I165-V185 HydrophobicContact CG1-CB 4.24Å; I165-V185 HydrophobicContact CG1-CG2 3.89Å; L168-V185 HydrophobicContact CD1-CG2 3.91Å; V185-V223 HydrophobicContact CG2-CG1 3.92Å; V185-D224 PolarHBondContact N-O 3.33Å; V185-L225 HydrophobicContact CB-CD1 4.19Å; V185-L225 HydrophobicContact CG1-CD1 3.97Å; V185-Q226 PolarHBondContact O-N 3.11Å
186V97Very high79.9Confident0 Ų055 Ų550%029%0.294CS..EExtended strand (participates in β ladder)trans-105.8108.1177.2-177.40000108.1T154 V155 V156 T157 L184 Q226 V228 M235 V238T154-V186 HydrophobicContact CG2-CG2 3.61Å; V155-V186 PolarHBondContact O-N 3.24Å; V156-V186 WeakPolarHBondContact CA-O 3.47Å; V156-V186 HydrophobicContact CG2-CB 4.25Å; T157-V186 PolarHBondContact N-O 2.97Å; L184-V186 HydrophobicContact CD2-CG2 3.93Å; L184-V186 HydrophobicContact CG-CG2 3.94Å; V186-Q226 CarbonylContact C-O 3.55Å; V186-Q226 VanDerWaalsContact CA-O 3.29Å; V186-Q226 WeakPolarHBondContact CA-O 3.32Å; V186-V228 HydrophobicContact CG1-CG1 4.46Å; V186-V228 HydrophobicContact CG1-CG2 3.74Å; V186-M235 HydrophobicContact CG1-SD 4.17Å; V186-V238 HydrophobicContact CG1-CG1 4.41Å; V186-V238 HydrophobicContact CG1-CG2 4.33Å; V186-V238 HydrophobicContact CG2-CG1 3.72Å
187Q95.3Very high77.8Confident25 Ų2556.6 Ų56.612%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-92.4117.7174.7179-176.3-2.500109.4T157 Q159 V189 L225 Q226 Q227 V228T157-Q187 HydrophobicContact CG2-CB 4.43Å; T157-Q187 CarbonylContact O-C 3.59Å; T157-Q187 WeakPolarHBondContact O-CA 3.45Å; Q159-Q187 WeakPolarHBondContact O-CG 3.14Å; Q187-V189 HydrophobicContact CG-CG2 3.9Å; Q187-L225 HydrophobicContact CB-CD1 4.26Å; Q187-Q226 PolarHBondContact N-O 3.27Å; Q187-Q227 HydrophobicContact CB-CG 4.18Å; Q187-Q227 WeakPolarHBondContact O-CA 3.3Å; Q187-V228 PolarHBondContact O-N 2.89Å
188I94.4Very high75Confident7 Ų759.9 Ų59.94%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-83.9121.4171.6-57.6175.6000108.4T43 V156 T157 V228 N230 M235T43-I188 HydrophobicContact CG2-CB 3.97Å; T43-I188 HydrophobicContact CG2-CD1 4.29Å; T43-I188 HydrophobicContact CG2-CG2 3.59Å; V156-I188 HydrophobicContact CG1-CD1 3.58Å; V156-I188 HydrophobicContact CG1-CG1 4.06Å; T157-I188 PolarHBondContact O-N 2.69Å; I188-V228 HydrophobicContact CG1-CG2 4.07Å; I188-N230 HydrophobicContact CG2-CB 3.65Å; I188-N230 WeakPolarHBondContact CG2-OD1 3.47Å; I188-M235 HydrophobicContact CD1-SD 4.31Å
189V90.5Very high72.9Confident11 Ų1158.7 Ų58.77%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-112.8128-174.7-174.50000109.4Q187 V193 Q227 V228 N230Q187-V189 HydrophobicContact CG-CG2 3.9Å; V189-V193 HydrophobicContact CG1-CB 3.63Å; V189-V193 HydrophobicContact CG1-CG1 3.77Å; V189-V193 HydrophobicContact CG1-CG2 4.45Å; V189-Q227 HydrophobicContact CG2-CB 4.28Å; V189-Q227 HydrophobicContact CG2-CG 4.41Å; V189-V228 PolarHBondContact N-O 2.93Å; V189-N230 PolarHBondContact O-N 2.92Å
190G81.1Confident70Confident35 Ų3565.9 Ų65.936%0.36135%0.352SS..  trans-65.9144.6174.800000112.4Q192 V193G190-Q192 PolarHBondContact O-N 3.14Å; G190-V193 PolarHBondContact O-N 3.15Å
191S62.8Low67.2Low55 Ų5574.7 Ų74.739%0.38539%0.392SS..Hα-helixtrans-56.3-27.3-171.7-52.80000114.7V193 L194 I195 E229S191-V193 VanDerWaalsContact C-N 3.32Å; S191-V193 PolarHBondContact O-N 2.52Å; S191-L194 PolarHBondContact O-N 3.18Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.99Å; S191-E229 PolarHBondContact OG-OE1 3.32Å
192Q56Low64.3Low167 Ų16774.3 Ų74.378%0.7840%0.403SS*.Hα-helixtrans-70-25.5178-72.8141.45.100113.7G190G190-Q192 PolarHBondContact O-N 3.14Å
193V56.1Low61.8Low78 Ų7877.6 Ų77.647%0.47343%0.431SS..Hα-helixtrans-80.1-31.2176.9-179.80000110.8V189 G190 S191V189-V193 HydrophobicContact CG1-CB 3.63Å; V189-V193 HydrophobicContact CG1-CG1 3.77Å; V189-V193 HydrophobicContact CG1-CG2 4.45Å; G190-V193 PolarHBondContact O-N 3.15Å; S191-V193 VanDerWaalsContact C-N 3.32Å; S191-V193 PolarHBondContact O-N 2.52Å
194L53.4Low58.5Low58 Ų5887.2 Ų87.230%0.30447%0.467SS..Hα-helixtrans-73.7-31.3179.8-14389.7000112.9S191 N196 Q197 T198S191-L194 PolarHBondContact O-N 3.18Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-Q197 CarbonylContact O-C 3.34Å; L194-Q197 VanDerWaalsContact O-CA 3.29Å; L194-Q197 WeakPolarHBondContact O-CA 3.46Å; L194-Q197 PolarHBondContact O-N 3.2Å; L194-T198 PolarHBondContact O-N 3.13Å; L194-T198 PolarHBondContact O-OG1 2.78Å
195I45.6Very low55.5Low121 Ų12193.8 Ų93.862%0.62150%0.503SS*.Hα-helixtrans-72.2-30.7178.2-63.9165.9000111.3S191 Q197S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.99Å; I195-Q197 PolarHBondContact O-N 3.07Å
196N41.8Very low52.1Low146 Ų14697.9 Ų97.978%0.78153%0.532SS*.THydrogen-bonded Turntrans-72.90.1167.6-72.2-11.7000112.6L194L194-N196 VanDerWaalsContact C-N 3.34Å
197Q43.3Very low49Very low127 Ų127103.3 Ų103.359%0.59357%0.567SS**THydrogen-bonded Turntrans-136.745.7-178.7-63.3-172.3-9.400112.8L194 I195L194-Q197 CarbonylContact O-C 3.34Å; L194-Q197 VanDerWaalsContact O-CA 3.29Å; L194-Q197 WeakPolarHBondContact O-CA 3.46Å; L194-Q197 PolarHBondContact O-N 3.2Å; I195-Q197 PolarHBondContact O-N 3.07Å
198T31.6Very low45.7Very low91 Ų91107.1 Ų107.156%0.55860%0.596SS**  trans-148.4152.5169.237.20000113L194L194-T198 PolarHBondContact O-N 3.13Å; L194-T198 PolarHBondContact O-OG1 2.78Å
199P43Very low42.6Very low107 Ų107112 Ų11270%0.69563%0.631SS**  cis-127.7134.3-3834.9-18.7000111.4
200L26.1Very low39.8Very low164 Ų164119.2 Ų119.286%0.85966%0.663SS**  trans-114.8113.9153.3-120.989.7000108.3S202L200-S202 PolarHBondContact O-N 2.71Å
201H32.6Very low37.3Very low194 Ų194126.2 Ų126.290%0.89869%0.687SS**  trans-57.292.7158.5-79.9-76.3000109.2
202S25.8Very low35.7Very low77 Ų77130.3 Ų130.354%0.53871%0.705SS.*  trans-163.7106144.158.30000106.9L200 R204L200-S202 PolarHBondContact O-N 2.71Å; S202-R204 PolarHBondContact O-N 2.99Å
203V34.7Very low34.7Very low149 Ų149130.7 Ų130.790%0.90371%0.706SS**  trans-59.891.1153176.30000105.3
204R25.8Very low33.5Very low203 Ų203136 Ų13677%0.76672%0.723SS**  trans-124.893.1168.6-160.1175.6-159.1-165.24106.5S202 S206S202-R204 PolarHBondContact O-N 2.99Å; R204-S206 PolarHBondContact O-N 2.78Å; R204-S206 PolarHBondContact O-OG 3.21Å; R204-S206 VanDerWaalsContact O-OG 3.07Å
205N33.1Very low32.7Very low154 Ų154142.2 Ų142.282%0.82474%0.744SS**  trans-42.5108.3157.2-69.6-8000107.2
206S24.7Very low32.4Very low87 Ų87139.5 Ų139.561%0.60874%0.735SS**  trans-121.8126.2172.8-50.40000105.9R204 S208R204-S206 PolarHBondContact O-N 2.78Å; R204-S206 PolarHBondContact O-OG 3.21Å; R204-S206 VanDerWaalsContact O-OG 3.07Å; S206-S208 PolarHBondContact O-N 2.9Å
207P32.5Very low32.1Very low114 Ų114140 Ų14074%0.7474%0.737SS**  trans-82.4117-161.132.4-31.3000109.3
208S25.7Very low32Very low104 Ų104140.7 Ų140.773%0.72774%0.742SS**  trans-123.5112.7166.660.50000109.4S206S206-S208 PolarHBondContact O-N 2.9Å
209S27.8Very low32.7Very low109 Ų109137.9 Ų137.976%0.76272%0.724SS**  trans74.165.1162.9-38.20000115.9E211S209-E211 PolarHBondContact O-N 3.33Å
210H32.3Very low33.2Very low163 Ų163137.4 Ų137.476%0.75574%0.738SS**THydrogen-bonded Turntrans-60.475.7160.3-79.8-77.7000111.8
211E28.8Very low34.9Very low182 Ų182130.5 Ų130.585%0.8570%0.703SS**THydrogen-bonded Turntrans-144.1-7.3156.8-74.8-154159.600115.4S209S209-E211 PolarHBondContact O-N 3.33Å
212N28.4Very low36.8Very low142 Ų142128.3 Ų128.376%0.75969%0.693SS**SBendtrans-129.11.1-176.2-111.90.2000118.1K214N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 2.9Å
213E36.4Very low39.7Very low174 Ų174125.2 Ų125.281%0.81367%0.671SS**G310 helixtrans-82.8-0.1179-76.7179.5162.900114.4Y215E213-Y215 PolarHBondContact O-N 2.84Å
214K31.2Very low42.4Very low190 Ų190120.1 Ų120.183%0.82664%0.638SS**G310 helixtrans-85.33.9-173.1-102.9178.6178.3176.60116N212N212-K214 VanDerWaalsContact C-N 3.3Å; N212-K214 PolarHBondContact O-N 2.9Å
215Y35.4Very low45.6Very low189 Ų189113.2 Ų113.274%0.74162%0.616SS**G310 helixtrans-120.33.5-173.6-66.6-71000116.6E213E213-Y215 PolarHBondContact O-N 2.84Å
216S39.4Very low48.5Very low63 Ų63109.5 Ų109.544%0.44159%0.594SS.*SBendtrans-83.8-12.9-177.6165.10000114.4E169 M218E169-S216 PolarHBondContact OE1-OG 3.07Å; S216-M218 VanDerWaalsContact C-N 3.29Å; S216-M218 PolarHBondContact O-N 3.19Å
217L36.5Very low51.9Low158 Ų158110 Ų11083%0.82759%0.587SS**THydrogen-bonded Turntrans-81.920.3-173.3-64.9167.5000116.2
218M39.9Very low54.9Low140 Ų140105.1 Ų105.169%0.6956%0.555SS**THydrogen-bonded Turntrans-95.3-2.4-173.2-72.8-150.977.600115.9S216S216-M218 VanDerWaalsContact C-N 3.29Å; S216-M218 PolarHBondContact O-N 3.19Å
219L46Very low58.1Low33 Ų33104.2 Ų104.217%0.17354%0.539CS..SBendtrans-100.9127.7164.1-93.471.4000107.7L172 L177 T221L172-L219 HydrophobicContact CB-CD2 4.03Å; L177-L219 HydrophobicContact CD1-CD2 3.44Å; L177-L219 VanDerWaalsContact CD1-CD2 3.44Å; L177-L219 HydrophobicContact CD1-CG 4.07Å; L219-T221 WeakPolarHBondContact CB-O 3.12Å; L219-T221 PolarHBondContact O-N 2.9Å
220G53.3Low61.3Low97 Ų97100.9 Ų100.9100%151%0.513SS*.SBendtrans-62.54.6167.300000114.1
221T63.2Low64.3Low18 Ų1894.6 Ų94.611%0.1149%0.487CS..SBendtrans-121.8106.8173-48.70000107.8L180 L219L180-T221 HydrophobicContact CD2-CG2 3.85Å; L180-T221 HydrophobicContact CG-CG2 3.86Å; L219-T221 WeakPolarHBondContact CB-O 3.12Å; L219-T221 PolarHBondContact O-N 2.9Å
222E71.8Confident67.6Low148 Ų14887.9 Ų87.969%0.69246%0.459SS*.  trans-68138.9173.6-168.3171.3-177.100110.1
223V86.9Confident70.8Confident12 Ų1288 Ų887%0.07345%0.452CS..EExtended strand (participates in β ladder)trans-99.4107.8176.4-171.20000108.5I165 E169 L183 V185I165-V223 HydrophobicContact CB-CG1 4.5Å; I165-V223 HydrophobicContact CG1-CG1 3.87Å; I165-V223 HydrophobicContact CG2-CB 4.15Å; I165-V223 HydrophobicContact CG2-CG1 4.24Å; E169-V223 HydrophobicContact CG-CG2 4.06Å; L183-V223 HydrophobicContact CB-CG1 4.46Å; L183-V223 HydrophobicContact CB-CG2 4.48Å; L183-V223 HydrophobicContact CD2-CG1 4Å; L183-V223 HydrophobicContact CD2-CG2 3.93Å; L183-V223 HydrophobicContact CG-CG1 4.03Å; L183-V223 WeakPolarHBondContact O-CA 3.49Å; V185-V223 HydrophobicContact CG2-CG1 3.92Å
224D91.1Very high73.6Confident42 Ų4280.6 Ų80.623%0.22542%0.421CS..EExtended strand (participates in β ladder)trans-83.3145.5-176.5-65.5-40.6000111.8R182 L183 L184 V185R182-D224 IonicContact CZ-OD2 3.52Å; R182-D224 IonicContact NE-OD2 3.35Å; R182-D224 PolarHBondContact NE-OD2 2.92Å; R182-D224 IonicContact NH2-OD2 2.74Å; R182-D224 PolarHBondContact NH2-OD2 3.38Å; L183-D224 PolarHBondContact O-N 2.78Å; L184-D224 HydrophobicContact CD1-CB 3.63Å; V185-D224 PolarHBondContact N-O 3.33Å
225L93.3Very high76.7Confident59 Ų5971.6 Ų71.631%0.30938%0.382SS..EExtended strand (participates in β ladder)trans-106.7127.4167-170.553.3000110.9R162 I165 V185 Q187 Q227R162-L225 HydrophobicContact CG-CD2 3.76Å; I165-L225 HydrophobicContact CD1-CB 3.46Å; I165-L225 VanDerWaalsContact CD1-CB 3.46Å; I165-L225 HydrophobicContact CD1-CD1 3.99Å; I165-L225 HydrophobicContact CD1-CD2 4.24Å; I165-L225 HydrophobicContact CD1-CG 4.07Å; V185-L225 HydrophobicContact CB-CD1 4.19Å; V185-L225 HydrophobicContact CG1-CD1 3.97Å; Q187-L225 HydrophobicContact CB-CD1 4.26Å; L225-Q227 HydrophobicContact CG-CG 4.44Å
226Q94.8Very high79.6Confident76 Ų7663.7 Ų63.736%0.35535%0.352SS..EExtended strand (participates in β ladder)trans-122.1122.3166.2-173.7173.47.100109.9L184 V185 V186 Q187 V228L184-Q226 HydrophobicContact CD1-CB 3.95Å; V185-Q226 PolarHBondContact O-N 3.11Å; V186-Q226 CarbonylContact C-O 3.55Å; V186-Q226 VanDerWaalsContact CA-O 3.29Å; V186-Q226 WeakPolarHBondContact CA-O 3.32Å; Q187-Q226 PolarHBondContact N-O 3.27Å; Q226-V228 HydrophobicContact CG-CG1 4.11Å
227Q94.8Very high82.2Confident97 Ų9764.6 Ų64.645%0.45335%0.35SS..EExtended strand (participates in β ladder)trans-95.9133.6172.3-69.5-178-27.700109.4Q187 V189 L225Q187-Q227 HydrophobicContact CB-CG 4.18Å; Q187-Q227 WeakPolarHBondContact O-CA 3.3Å; V189-Q227 HydrophobicContact CG2-CB 4.28Å; V189-Q227 HydrophobicContact CG2-CG 4.41Å; L225-Q227 HydrophobicContact CG-CG 4.44Å
228V95.1Very high85Confident12 Ų1257.2 Ų57.27%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-132.4149.3178.5-640000110.9V186 Q187 I188 V189 Q226 A234 V238V186-V228 HydrophobicContact CG1-CG1 4.46Å; V186-V228 HydrophobicContact CG1-CG2 3.74Å; Q187-V228 PolarHBondContact O-N 2.89Å; I188-V228 HydrophobicContact CG1-CG2 4.07Å; V189-V228 PolarHBondContact N-O 2.93Å; Q226-V228 HydrophobicContact CG-CG1 4.11Å; V228-A234 HydrophobicContact CB-CB 4.17Å; V228-V238 HydrophobicContact CG1-CG2 3.55Å
229E94.2Very high87.6Confident84 Ų8450.5 Ų50.539%0.39328%0.279SS..EExtended strand (participates in β ladder)trans-62.5147.3171.1-174.8176.6-162.900110.3S191 S231 A234S191-E229 PolarHBondContact OG-OE1 3.32Å; E229-S231 PolarHBondContact O-N 3.41Å; E229-A234 HydrophobicContact CB-CB 4.24Å
230N94.7Very high89.9Confident40 Ų4052 Ų5221%0.21428%0.283CS..SBendtrans-69.365.3169-165.820.9000111.7D42 V46 I188 V189D42-N230 PolarHBondContact O-ND2 2.85Å; V46-N230 WeakPolarHBondContact CB-OD1 3.25Å; V46-N230 VanDerWaalsContact CG2-OD1 3.3Å; V46-N230 WeakPolarHBondContact CG2-OD1 3.49Å; I188-N230 HydrophobicContact CG2-CB 3.65Å; I188-N230 WeakPolarHBondContact CG2-OD1 3.47Å; V189-N230 PolarHBondContact O-N 2.92Å
231S95.9Very high91.6Very high30 Ų3049 Ų4921%0.2125%0.249CC..SBendtrans-137.1144.1176.573.40000110.4V46 E229 F233 A234 M235V46-S231 VanDerWaalsContact CG1-C 3.46Å; E229-S231 PolarHBondContact O-N 3.41Å; S231-F233 PolarHBondContact O-N 2.82Å; S231-A234 PolarHBondContact O-N 3.02Å; S231-A234 VanDerWaalsContact OG-CB 3.3Å; S231-A234 WeakPolarHBondContact OG-CB 3.46Å; S231-A234 PolarHBondContact OG-N 2.61Å; S231-M235 PolarHBondContact O-N 3.38Å; S231-M235 VanDerWaalsContact O-N 3.13Å
232V96.9Very high92.9Very high42 Ų4248.4 Ų48.426%0.25525%0.245SC..Hα-helixtrans-55.7-42.9179.6176.10000110.2V46 D49 A50 A234 M235 E236V46-V232 HydrophobicContact CG2-CG2 4.49Å; D49-V232 HydrophobicContact CB-CG1 4.34Å; D49-V232 HydrophobicContact CB-CG2 4.05Å; A50-V232 HydrophobicContact CB-CG1 4.16Å; V232-A234 PolarHBondContact O-N 2.9Å; V232-M235 PolarHBondContact O-N 3.4Å; V232-E236 HydrophobicContact CG1-CG 4.3Å; V232-E236 WeakPolarHBondContact O-CB 3.34Å; V232-E236 WeakPolarHBondContact O-CG 3.36Å; V232-E236 PolarHBondContact O-N 3.36Å
233F95.9Very high93.7Very high144 Ų14441.5 Ų41.563%0.63221%0.213SC*.Hα-helixtrans-60.8-47.2179178.4-101.1000112.8S231 M235 E236 M237S231-F233 PolarHBondContact O-N 2.82Å; F233-M235 VanDerWaalsContact C-N 3.35Å; F233-M235 PolarHBondContact O-N 2.97Å; F233-E236 PolarHBondContact O-N 3.23Å; F233-M237 HydrophobicContact CD1-CG 4.45Å; F233-M237 HydrophobicContact CE1-CG 4.04Å; F233-M237 HydrophobicContact CE2-CG 4.23Å; F233-M237 HydrophobicContact CE2-SD 4.22Å; F233-M237 HydrophobicContact CZ-CG 3.92Å; F233-M237 HydrophobicContact CZ-SD 4.13Å; F233-M237 WeakPolarHBondContact O-CG 3.43Å; F233-M237 PolarHBondContact O-N 3.41Å
234A95.8Very high93.4Very high19 Ų1945.1 Ų45.116%0.15723%0.229CC..Hα-helixtrans-63.7-42.4-179.400000111.4V228 E229 S231 V232 M237 V238V228-A234 HydrophobicContact CB-CB 4.17Å; E229-A234 HydrophobicContact CB-CB 4.24Å; S231-A234 PolarHBondContact O-N 3.02Å; S231-A234 VanDerWaalsContact OG-CB 3.3Å; S231-A234 WeakPolarHBondContact OG-CB 3.46Å; S231-A234 PolarHBondContact OG-N 2.61Å; V232-A234 PolarHBondContact O-N 2.9Å; A234-M237 PolarHBondContact O-N 3.28Å; A234-V238 PolarHBondContact O-N 3.05Å
235M96.8Very high92.3Very high1 Ų144.2 Ų44.21%0.00522%0.223CC..Hα-helixtrans-67.3-40.1177-169.562.6-146.200112.2V46 L47 A50 V156 V186 I188 S231 V232 F233 M237 V238 L239V46-M235 HydrophobicContact CG1-CB 4.41Å; L47-M235 HydrophobicContact CD1-CE 3.68Å; L47-M235 HydrophobicContact CD1-CG 3.89Å; L47-M235 HydrophobicContact CD1-SD 4.11Å; A50-M235 HydrophobicContact CB-CB 3.81Å; A50-M235 HydrophobicContact CB-CG 3.85Å; V156-M235 HydrophobicContact CG2-CE 3.73Å; V186-M235 HydrophobicContact CG1-SD 4.17Å; I188-M235 HydrophobicContact CD1-SD 4.31Å; S231-M235 PolarHBondContact O-N 3.38Å; S231-M235 VanDerWaalsContact O-N 3.13Å; V232-M235 PolarHBondContact O-N 3.4Å; F233-M235 VanDerWaalsContact C-N 3.35Å; F233-M235 PolarHBondContact O-N 2.97Å; M235-M237 VanDerWaalsContact C-N 3.27Å; M235-M237 PolarHBondContact O-N 3.22Å; M235-V238 HydrophobicContact CE-CB 4.42Å; M235-V238 HydrophobicContact CE-CG1 4.39Å; M235-V238 WeakPolarHBondContact O-CB 3.29Å; M235-V238 PolarHBondContact O-N 2.71Å; M235-L239 HydrophobicContact CE-CD2 4.04Å; M235-L239 HydrophobicContact CE-CG 4.07Å; M235-L239 PolarHBondContact O-N 3.15Å; M235-L239 VanDerWaalsContact O-N 3.12Å
236E95.6Very high90.7Very high22 Ų2245 Ų4510%0.10323%0.225CC..Hα-helixtrans-58.1-39.4172.9-83.7-174-155.900112.4A50 N53 V232 F233 V238 L239 K240A50-E236 HydrophobicContact CB-CG 3.86Å; N53-E236 HydrophobicContact CB-CG 4.38Å; N53-E236 VanDerWaalsContact CB-OE1 3.24Å; N53-E236 WeakPolarHBondContact CB-OE1 3.49Å; N53-E236 PolarHBondContact ND2-OE1 3.28Å; V232-E236 HydrophobicContact CG1-CG 4.3Å; V232-E236 WeakPolarHBondContact O-CB 3.34Å; V232-E236 WeakPolarHBondContact O-CG 3.36Å; V232-E236 PolarHBondContact O-N 3.36Å; F233-E236 PolarHBondContact O-N 3.23Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 PolarHBondContact O-N 2.77Å; E236-L239 PolarHBondContact O-N 3.09Å; E236-K240 VanDerWaalsContact O-CB 3.3Å; E236-K240 WeakPolarHBondContact O-CB 3.44Å; E236-K240 VanDerWaalsContact O-CG 3.28Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.36Å; E236-K240 IonicContact OE2-NZ 3.76Å; E236-K240 PolarHBondContact OE2-NZ 2.93Å
237M93.8Very high88.8Confident83 Ų8342.2 Ų42.241%0.40922%0.218SC..Hα-helixtrans-65-34179.3-71.7-55-57.800112.1F233 A234 M235 K240 A241F233-M237 HydrophobicContact CD1-CG 4.45Å; F233-M237 HydrophobicContact CE1-CG 4.04Å; F233-M237 HydrophobicContact CE2-CG 4.23Å; F233-M237 HydrophobicContact CE2-SD 4.22Å; F233-M237 HydrophobicContact CZ-CG 3.92Å; F233-M237 HydrophobicContact CZ-SD 4.13Å; F233-M237 WeakPolarHBondContact O-CG 3.43Å; F233-M237 PolarHBondContact O-N 3.41Å; A234-M237 PolarHBondContact O-N 3.28Å; M235-M237 VanDerWaalsContact C-N 3.27Å; M235-M237 PolarHBondContact O-N 3.22Å; M237-K240 HydrophobicContact SD-CD 4.28Å; M237-A241 PolarHBondContact O-N 3.02Å
238V94.8Very high87.1Confident2 Ų238.1 Ų38.11%0.01220%0.202CC..Hα-helixtrans-64-49.6171.5178.60000110.7L184 V186 V228 A234 M235 E236 K240 A241L184-V238 HydrophobicContact CD2-CG1 4.49Å; V186-V238 HydrophobicContact CG1-CG1 4.41Å; V186-V238 HydrophobicContact CG1-CG2 4.33Å; V186-V238 HydrophobicContact CG2-CG1 3.72Å; V228-V238 HydrophobicContact CG1-CG2 3.55Å; A234-V238 PolarHBondContact O-N 3.05Å; M235-V238 HydrophobicContact CE-CB 4.42Å; M235-V238 HydrophobicContact CE-CG1 4.39Å; M235-V238 WeakPolarHBondContact O-CB 3.29Å; M235-V238 PolarHBondContact O-N 2.71Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 PolarHBondContact O-N 2.77Å; V238-K240 PolarHBondContact O-N 2.98Å; V238-A241 VanDerWaalsContact O-CB 3.24Å; V238-A241 WeakPolarHBondContact O-CB 3.49Å; V238-A241 PolarHBondContact O-N 2.8Å
239L95.7Very high85.8Confident0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-64.1-41.1-179.7-63171.9000111.6A50 L51 F54 M235 E236 A241 W242A50-L239 HydrophobicContact CB-CD1 4.24Å; L51-L239 HydrophobicContact CD2-CD1 3.82Å; L51-L239 HydrophobicContact CD2-CD2 4.11Å; L51-L239 HydrophobicContact CG-CD1 4.19Å; F54-L239 HydrophobicContact CB-CB 4.1Å; F54-L239 HydrophobicContact CB-CD1 3.91Å; F54-L239 HydrophobicContact CD1-CB 3.94Å; F54-L239 HydrophobicContact CD1-CD1 4.24Å; F54-L239 HydrophobicContact CD2-CB 3.69Å; F54-L239 HydrophobicContact CE1-CB 4.21Å; F54-L239 HydrophobicContact CE2-CB 3.97Å; F54-L239 WeakPolarHBondContact CE2-O 3.42Å; F54-L239 HydrophobicContact CG-CB 3.63Å; F54-L239 HydrophobicContact CG-CD1 4.15Å; F54-L239 HydrophobicContact CG-CG 4.47Å; F54-L239 HydrophobicContact CZ-CB 4.18Å; F54-L239 WeakPolarHBondContact CZ-O 3.41Å; M235-L239 HydrophobicContact CE-CD2 4.04Å; M235-L239 HydrophobicContact CE-CG 4.07Å; M235-L239 PolarHBondContact O-N 3.15Å; M235-L239 VanDerWaalsContact O-N 3.12Å; E236-L239 PolarHBondContact O-N 3.09Å; L239-A241 PolarHBondContact O-N 3.49Å; L239-W242 HydrophobicContact CD2-CE3 4.36Å; L239-W242 HydrophobicContact CD2-CH2 3.46Å; L239-W242 VanDerWaalsContact CD2-CH2 3.46Å; L239-W242 HydrophobicContact CD2-CZ2 3.69Å; L239-W242 HydrophobicContact CD2-CZ3 3.83Å; L239-W242 WeakPolarHBondContact O-CB 3.27Å; L239-W242 VanDerWaalsContact O-CG 3.29Å; L239-W242 PolarHBondContact O-N 3.21Å
240K92.9Very high84.8Confident63 Ų6343.2 Ų43.227%0.27422%0.221SC..Hα-helixtrans-62-24177.2-78.5167.5175.3158.20112.9F54 E236 M237 V238 W242 L243F54-K240 HydrophobicContact CD2-CG 4.26Å; E236-K240 VanDerWaalsContact O-CB 3.3Å; E236-K240 WeakPolarHBondContact O-CB 3.44Å; E236-K240 VanDerWaalsContact O-CG 3.28Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.36Å; E236-K240 IonicContact OE2-NZ 3.76Å; E236-K240 PolarHBondContact OE2-NZ 2.93Å; M237-K240 HydrophobicContact SD-CD 4.28Å; V238-K240 PolarHBondContact O-N 2.98Å; K240-W242 PolarHBondContact O-N 3.46Å; K240-L243 WeakPolarHBondContact O-CB 3.39Å; K240-L243 PolarHBondContact O-N 3.34Å
241A89.9Confident84.2Confident34 Ų3442.8 Ų42.828%0.28122%0.218SC..G310 helixtrans-60.9-23.7171.700000112.4M237 V238 L239 L243 Q244M237-A241 PolarHBondContact O-N 3.02Å; V238-A241 VanDerWaalsContact O-CB 3.24Å; V238-A241 WeakPolarHBondContact O-CB 3.49Å; V238-A241 PolarHBondContact O-N 2.8Å; L239-A241 PolarHBondContact O-N 3.49Å; A241-L243 PolarHBondContact O-N 3.22Å; A241-Q244 PolarHBondContact O-N 2.66Å
242W90.8Very high83.6Confident7 Ų742.6 Ų42.63%0.02721%0.214CC..G310 helixtrans-69.6-19.8174.7-57.1-8000113.4R29 L31 F54 I67 L70 T154 L239 K240 Q244R29-W242 HydrophobicContact CB-CE3 4.29Å; R29-W242 HydrophobicContact CB-CZ3 4.45Å; R29-W242 HydrophobicContact CG-CD2 4.24Å; R29-W242 HydrophobicContact CG-CE3 4.14Å; R29-W242 HydrophobicContact CG-CG 4.43Å; L31-W242 HydrophobicContact CB-CH2 4.12Å; L31-W242 HydrophobicContact CD1-CH2 4.13Å; L31-W242 HydrophobicContact CD1-CZ2 4.36Å; L31-W242 HydrophobicContact CD2-CH2 4.45Å; L31-W242 HydrophobicContact CG-CH2 4.47Å; F54-W242 AromaticContact CE1-CE3 3.69Å; F54-W242 HydrophobicContact CE1-CE3 3.69Å; F54-W242 AromaticContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CE1-CZ3 3.95Å; F54-W242 HydrophobicContact CZ-CB 4.26Å; F54-W242 HydrophobicContact CZ-CD2 4.35Å; F54-W242 AromaticContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CE3 3.68Å; F54-W242 HydrophobicContact CZ-CZ3 4.41Å; I67-W242 HydrophobicContact CD1-CB 3.9Å; I67-W242 HydrophobicContact CD1-CE3 4.32Å; I67-W242 HydrophobicContact CG1-CB 4.38Å; L70-W242 HydrophobicContact CD1-CZ3 4.02Å; T154-W242 HydrophobicContact CG2-CZ2 4.17Å; L239-W242 HydrophobicContact CD2-CE3 4.36Å; L239-W242 HydrophobicContact CD2-CH2 3.46Å; L239-W242 VanDerWaalsContact CD2-CH2 3.46Å; L239-W242 HydrophobicContact CD2-CZ2 3.69Å; L239-W242 HydrophobicContact CD2-CZ3 3.83Å; L239-W242 WeakPolarHBondContact O-CB 3.27Å; L239-W242 VanDerWaalsContact O-CG 3.29Å; L239-W242 PolarHBondContact O-N 3.21Å; K240-W242 PolarHBondContact O-N 3.46Å; W242-Q244 VanDerWaalsContact C-N 3.35Å
243L88.1Confident83.2Confident3 Ų340.6 Ų40.62%0.01620%0.202CC..G310 helixtrans-85.8-9.5178.4-61.3171.5000112.8F54 L57 A58 L61 R66 I67 K240 A241 I278F54-L243 HydrophobicContact CD2-CD1 4.33Å; F54-L243 HydrophobicContact CE2-CD1 3.8Å; F54-L243 HydrophobicContact CE2-CD2 4.35Å; F54-L243 HydrophobicContact CE2-CG 3.82Å; F54-L243 HydrophobicContact CZ-CG 4.44Å; L57-L243 HydrophobicContact CD2-CD1 4.18Å; A58-L243 HydrophobicContact CB-CD2 4.03Å; L61-L243 HydrophobicContact CD1-CD1 4.44Å; L61-L243 HydrophobicContact CD1-CD2 4.32Å; R66-L243 HydrophobicContact CB-CD2 3.85Å; R66-L243 WeakPolarHBondContact CD-O 3.46Å; R66-L243 PolarHBondContact NH1-O 3.12Å; I67-L243 HydrophobicContact CD1-CD2 3.66Å; I67-L243 HydrophobicContact CD1-CG 4.36Å; I67-L243 HydrophobicContact CG1-CD2 3.96Å; K240-L243 WeakPolarHBondContact O-CB 3.39Å; K240-L243 PolarHBondContact O-N 3.34Å; A241-L243 PolarHBondContact O-N 3.22Å; L243-I278 HydrophobicContact CB-CD1 4.41Å; L243-I278 HydrophobicContact CD1-CD1 3.61Å
244Q80.4Confident83Confident88 Ų8835.1 Ų35.141%0.41118%0.178SC..SBendtrans-80138.7176.6-65.7-176.6-3300110A241 W242 Q246A241-Q244 PolarHBondContact O-N 2.66Å; W242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-Q246 PolarHBondContact O-N 3.33Å
245E67.3Low82.9Confident22 Ų2234.3 Ų34.310%0.10317%0.171CC..PPolyproline II helixtrans-69.1117.4167.2-69.2-172.2169.300108.3G247 R297E245-G247 PolarHBondContact O-N 3.4Å; E245-R297 IonicContact OE1-CZ 3.21Å; E245-R297 IonicContact OE1-NE 2.71Å; E245-R297 PolarHBondContact OE1-NE 2.74Å; E245-R297 IonicContact OE1-NH2 2.78Å; E245-R297 PolarHBondContact OE1-NH2 2.75Å
246Q60.9Low82.8Confident75 Ų7534.4 Ų34.435%0.3517%0.171SC..PPolyproline II helixtrans-75.4123176.7-65.1-91.3-15.300108.3Q244Q244-Q246 PolarHBondContact O-N 3.33Å
247G55.2Low82.5Confident19 Ų1935 Ų3520%0.19618%0.175CC..  trans-73-169.3172.200000112.9E245E245-G247 PolarHBondContact O-N 3.4Å
248G59.5Low82.1Confident11 Ų1135.3 Ų35.311%0.11318%0.183CC..SBendtrans97.6-18.3169.700000116.4C344 W345G248-C344 WeakPolarHBondContact O-CA 3.06Å; G248-W345 PolarHBondContact O-N 3.11Å
249D66.2Low81.1Confident74 Ų7437.1 Ų37.140%0.39620%0.196SC..SBendtrans-76.5-31171.8-74.2-35.4000111.9R181R181-D249 IonicContact NH1-OD2 3.96Å; R181-D249 PolarHBondContact NH1-OD2 2.84Å
250R73.6Confident79.6Confident128 Ų12841.3 Ų41.348%0.48322%0.224SC..SBendtrans-155.4154.4-174-56.5-175.6-178.1174.4-1.1110.6
251E83.3Confident78.1Confident32 Ų3244 Ų4415%0.1525%0.251CS..  trans-70.9135.3169.9-54.7163.7167.400109.9H254 K270 P313 T342 C344 L347E251-H254 IonicContact OE2-CD2 3.17Å; E251-H254 IonicContact OE2-CE1 3.02Å; E251-H254 PolarHBondContact OE2-CE1 3.27Å; E251-H254 IonicContact OE2-NE2 3.41Å; E251-H254 PolarHBondContact OE2-NE2 3.3Å; E251-K270 VanDerWaalsContact OE1-CD 3.23Å; E251-K270 WeakPolarHBondContact OE1-CD 3.46Å; E251-K270 VanDerWaalsContact OE1-CE 3.3Å; E251-K270 WeakPolarHBondContact OE1-CE 3.41Å; E251-K270 IonicContact OE1-NZ 3.1Å; E251-K270 PolarHBondContact OE1-NZ 3.02Å; E251-P313 HydrophobicContact CB-CB 4.47Å; E251-P313 HydrophobicContact CB-CG 4.08Å; E251-T342 HydrophobicContact CG-CG2 4.25Å; E251-C344 HydrophobicContact CG-CB 3.86Å; E251-L347 VanDerWaalsContact OE1-CD2 3.27Å; E251-L347 WeakPolarHBondContact OE1-CD2 3.38Å
252H82.4Confident76.5Confident26 Ų2649.9 Ų49.912%0.1228%0.277CS..  trans-89.8-37.8177.4-65.1165.1000112.3C271 M273 Q314H252-C271 PolarHBondContact N-O 2.78Å; H252-C271 VanDerWaalsContact N-O 3.1Å; H252-M273 HydrophobicContact CB-CB 4.05Å; H252-M273 HydrophobicContact CB-CG 3.77Å; H252-M273 HydrophobicContact CB-SD 4.28Å; H252-M273 PolarHBondContact ND1-N 3.07Å; H252-M273 VanDerWaalsContact ND1-N 3.13Å; H252-M273 PolarHBondContact ND1-O 2.69Å; H252-M273 VanDerWaalsContact ND1-O 3.15Å; H252-Q314 PolarHBondContact O-N 3.02Å
253L88.2Confident75.1Confident0 Ų052 Ų520%029%0.293CS..EExtended strand (participates in β ladder)trans-144.9139.2-166.5173.468.1000111.8L255 C271 M273 Q314 L316 I339L253-L255 HydrophobicContact CD2-CD2 3.83Å; L253-L255 HydrophobicContact CD2-CG 4.15Å; L253-L255 HydrophobicContact CG-CD2 4.29Å; L253-L255 HydrophobicContact CG-CG 4.41Å; L253-C271 HydrophobicContact CB-CB 4.27Å; L253-C271 HydrophobicContact CD2-CB 4.46Å; L253-C271 PolarHBondContact N-O 3.3Å; L253-C271 PolarHBondContact O-N 3.04Å; L253-M273 HydrophobicContact CB-CG 4Å; L253-M273 HydrophobicContact CB-SD 4.01Å; L253-M273 HydrophobicContact CD2-CG 4.44Å; L253-M273 HydrophobicContact CD2-SD 4.47Å; L253-Q314 CarbonylContact C-O 3.54Å; L253-Q314 WeakPolarHBondContact CA-O 3.47Å; L253-Q314 HydrophobicContact CD1-CB 4.47Å; L253-Q314 WeakPolarHBondContact CD1-O 3.49Å; L253-L316 HydrophobicContact CD1-CB 3.97Å; L253-L316 HydrophobicContact CD1-CD1 3.4Å; L253-L316 HydrophobicContact CD1-CG 3.41Å; L253-L316 VanDerWaalsContact CD1-CG 3.41Å; L253-L316 HydrophobicContact CD2-CD1 4.03Å; L253-L316 HydrophobicContact CG-CD1 4.35Å; L253-I339 HydrophobicContact CD2-CD1 3.87Å; L253-I339 HydrophobicContact CD2-CG1 4.45Å; L253-I339 HydrophobicContact CD2-CG2 4.23Å
254H92.1Very high73.9Confident29 Ų2957.9 Ų57.913%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-111.8117.9167.5-66174.9000110E251 Q314 R315 L316E251-H254 IonicContact OE2-CD2 3.17Å; E251-H254 IonicContact OE2-CE1 3.02Å; E251-H254 PolarHBondContact OE2-CE1 3.27Å; E251-H254 IonicContact OE2-NE2 3.41Å; E251-H254 PolarHBondContact OE2-NE2 3.3Å; H254-Q314 PolarHBondContact N-O 2.85Å; H254-R315 HydrophobicContact CB-CG 4.18Å; H254-R315 WeakPolarHBondContact O-CA 3.23Å; H254-L316 PolarHBondContact O-N 3.1Å
255L93.6Very high73.6Confident1 Ų160 Ų601%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-90.1117.3171.9-64.6175.3000109.4L253 C268 V269 L316 L375 L395 L403L253-L255 HydrophobicContact CD2-CD2 3.83Å; L253-L255 HydrophobicContact CD2-CG 4.15Å; L253-L255 HydrophobicContact CG-CD2 4.29Å; L253-L255 HydrophobicContact CG-CG 4.41Å; L255-C268 CarbonylContact O-C 3.59Å; L255-C268 WeakPolarHBondContact O-CA 3.42Å; L255-V269 HydrophobicContact CB-CB 4.22Å; L255-V269 PolarHBondContact N-O 3.34Å; L255-V269 PolarHBondContact O-N 2.85Å; L255-L316 WeakPolarHBondContact CA-O 3.25Å; L255-L316 HydrophobicContact CD2-CB 4.13Å; L255-L316 HydrophobicContact CD2-CD1 4.43Å; L255-L375 HydrophobicContact CD2-CD1 3.94Å; L255-L375 HydrophobicContact CD2-CD2 4.34Å; L255-L395 HydrophobicContact CD1-CD2 3.84Å; L255-L395 HydrophobicContact CD2-CD2 4.23Å; L255-L403 HydrophobicContact CD1-CD1 4.29Å
256L93.6Very high74.1Confident3 Ų361.4 Ų61.42%0.01636%0.356CS..EExtended strand (participates in β ladder)trans-99.6107.9179.6-52.1175.3000109.6P266 C268 R315 L316 R317 V318 E378L256-P266 HydrophobicContact CB-CB 4.36Å; L256-P266 HydrophobicContact CD2-CG 4.42Å; L256-C268 HydrophobicContact CD2-CB 4.07Å; L256-R315 HydrophobicContact CD1-CB 4.22Å; L256-L316 PolarHBondContact N-O 3.29Å; L256-R317 HydrophobicContact CB-CB 4.41Å; L256-R317 HydrophobicContact CB-CG 4.43Å; L256-V318 PolarHBondContact O-N 3.22Å; L256-E378 HydrophobicContact CD1-CG 4.16Å; L256-E378 WeakPolarHBondContact CD1-OE1 3.23Å; L256-E378 WeakPolarHBondContact CD1-OE2 3.37Å
257L91.2Very high75.5Confident34 Ų3460.3 Ų60.318%0.17835%0.354CS..EExtended strand (participates in β ladder)trans-83.3147.1173.9-52.2179.7000109.7S259 P266 V267 V269 V318 L362 L373L257-S259 PolarHBondContact O-N 2.81Å; L257-P266 WeakPolarHBondContact O-CB 3.4Å; L257-V267 HydrophobicContact CB-CB 4.2Å; L257-V267 HydrophobicContact CD1-CG1 4.23Å; L257-V267 PolarHBondContact N-O 3.45Å; L257-V267 PolarHBondContact O-N 3.21Å; L257-V269 HydrophobicContact CD1-CG2 4.04Å; L257-V269 HydrophobicContact CG-CG2 4.42Å; L257-V318 HydrophobicContact CD2-CG2 3.7Å; L257-L362 HydrophobicContact CD1-CD1 4.47Å; L257-L362 HydrophobicContact CD2-CD1 4.28Å; L257-L362 HydrophobicContact CD2-CD2 4.3Å; L257-L373 HydrophobicContact CD2-CD1 4.44Å
258P84.4Confident77.2Confident90 Ų9061.5 Ų61.558%0.58436%0.359SS*.PPolyproline II helixtrans-61.2134.417525.6-33.4000110.6
259S74.7Confident78.9Confident41 Ų4161 Ų6129%0.28735%0.353SS..PPolyproline II helixtrans-67.5143175.7-52.40000111L257 S263 L265 P266L257-S259 PolarHBondContact O-N 2.81Å; S259-S263 VanDerWaalsContact CB-O 3.23Å; S259-S263 WeakPolarHBondContact CB-O 3.18Å; S259-S263 PolarHBondContact OG-O 3.03Å; S259-L265 PolarHBondContact OG-O 3.44Å; S259-P266 WeakPolarHBondContact OG-CA 3.2Å
260P64.5Low80.2Confident88 Ų8859.2 Ų59.257%0.57134%0.342SS*.PPolyproline II helixtrans-60.3147158.627.5-30.7000108.7D262 S263P260-D262 PolarHBondContact O-N 3.04Å; P260-S263 PolarHBondContact O-N 3.07Å
261S59.7Low81Confident120 Ų12053.1 Ų53.184%0.83932%0.319SS*.THydrogen-bonded Turntrans-52.1-7.4-165.542.40000118
262D57.9Low81.2Confident156 Ų15651.9 Ų51.983%0.83431%0.314SS*.THydrogen-bonded Turntrans-110.7-5-174-64.4-31.3000114.8P260P260-D262 PolarHBondContact O-N 3.04Å
263S59.6Low81.4Confident51 Ų5150.8 Ų50.836%0.35731%0.309SS..  trans-118.1130.9175730000112.4S259 P260 L265S259-S263 VanDerWaalsContact CB-O 3.23Å; S259-S263 WeakPolarHBondContact CB-O 3.18Å; S259-S263 PolarHBondContact OG-O 3.03Å; P260-S263 PolarHBondContact O-N 3.07Å; S263-L265 PolarHBondContact O-N 2.96Å
264P64.1Low81.2Confident127 Ų12752.5 Ų52.583%0.82532%0.318SS*.SBendtrans-76.4-7.8-178.629.5-34000113.5
265L73.1Confident80.9Confident133 Ų13351.9 Ų51.970%0.69632%0.315SS*.SBendtrans-104.4126.8-176.2-67.2171.8000110.7S259 S263S259-L265 PolarHBondContact OG-O 3.44Å; S263-L265 PolarHBondContact O-N 2.96Å
266P79.4Confident80.3Confident52 Ų5259.5 Ų59.534%0.33834%0.344SS..PPolyproline II helixtrans-63141.5174.427-33.2000110.5L256 L257 S259 C268L256-P266 HydrophobicContact CB-CB 4.36Å; L256-P266 HydrophobicContact CD2-CG 4.42Å; L257-P266 WeakPolarHBondContact O-CB 3.4Å; S259-P266 WeakPolarHBondContact OG-CA 3.2Å; P266-C268 PolarHBondContact O-N 3.14Å
267V88.9Confident79.8Confident51 Ų5162.8 Ų62.831%0.30936%0.361SS..EExtended strand (participates in β ladder)trans-68.6118.3170.8177.60000107.3L257 L358L257-V267 HydrophobicContact CB-CB 4.2Å; L257-V267 HydrophobicContact CD1-CG1 4.23Å; L257-V267 PolarHBondContact N-O 3.45Å; L257-V267 PolarHBondContact O-N 3.21Å; V267-L358 HydrophobicContact CG1-CD1 4.25Å; V267-L358 HydrophobicContact CG1-CD2 4.43Å
268C92Very high79.4Confident44 Ų4463.4 Ų63.430%0.29736%0.364SS..EExtended strand (participates in β ladder)trans-102.6126.5-177.6-172.90000109.8L255 L256 P266L255-C268 CarbonylContact O-C 3.59Å; L255-C268 WeakPolarHBondContact O-CA 3.42Å; L256-C268 HydrophobicContact CD2-CB 4.07Å; P266-C268 PolarHBondContact O-N 3.14Å
269V94Very high79.3Confident0 Ų059.3 Ų59.30%034%0.337CS..EExtended strand (participates in β ladder)trans-108.9119.1170.3-171.20000108.1L255 L257 L358 F359L255-V269 HydrophobicContact CB-CB 4.22Å; L255-V269 PolarHBondContact N-O 3.34Å; L255-V269 PolarHBondContact O-N 2.85Å; L257-V269 HydrophobicContact CD1-CG2 4.04Å; L257-V269 HydrophobicContact CG-CG2 4.42Å; V269-L358 HydrophobicContact CG2-CB 4.38Å; V269-F359 HydrophobicContact CG1-CB 3.84Å; V269-F359 HydrophobicContact CG1-CD2 3.71Å; V269-F359 HydrophobicContact CG1-CG 4.28Å
270K93.4Very high79.5Confident37 Ų3760.4 Ų60.416%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-89.8129.5-177.7-62.7169.8158.5-157.10109.8E251 T342 L347 E351 N355E251-K270 VanDerWaalsContact OE1-CD 3.23Å; E251-K270 WeakPolarHBondContact OE1-CD 3.46Å; E251-K270 VanDerWaalsContact OE1-CE 3.3Å; E251-K270 WeakPolarHBondContact OE1-CE 3.41Å; E251-K270 IonicContact OE1-NZ 3.1Å; E251-K270 PolarHBondContact OE1-NZ 3.02Å; K270-T342 HydrophobicContact CB-CG2 3.63Å; K270-T342 PolarHBondContact O-N 2.57Å; K270-T342 VanDerWaalsContact O-N 3.11Å; K270-L347 HydrophobicContact CD-CD1 4.22Å; K270-L347 HydrophobicContact CD-CD2 4.06Å; K270-E351 VanDerWaalsContact CE-OE1 3.24Å; K270-E351 WeakPolarHBondContact CE-OE1 3.43Å; K270-E351 IonicContact NZ-OE1 2.89Å; K270-E351 PolarHBondContact NZ-OE1 3.3Å; K270-E351 IonicContact NZ-OE2 2.61Å; K270-N355 PolarHBondContact N-OD1 3.44Å; K270-N355 PolarHBondContact O-ND2 2.92Å
271C91.4Very high80.2Confident0 Ų057.8 Ų57.80%033%0.329CS..EExtended strand (participates in β ladder)trans-137.5151.3-167.5-57.80000113.1H252 L253 I339 R340H252-C271 PolarHBondContact N-O 2.78Å; H252-C271 VanDerWaalsContact N-O 3.1Å; L253-C271 HydrophobicContact CB-CB 4.27Å; L253-C271 HydrophobicContact CD2-CB 4.46Å; L253-C271 PolarHBondContact N-O 3.3Å; L253-C271 PolarHBondContact O-N 3.04Å; C271-I339 HydrophobicContact CB-CG2 3.45Å; C271-I339 VanDerWaalsContact CB-CG2 3.45Å; C271-R340 CarbonylContact C-O 3.59Å; C271-R340 WeakPolarHBondContact CA-O 3.38Å; C271-R340 VanDerWaalsContact CB-O 3.28Å; C271-R340 WeakPolarHBondContact CB-O 3.5Å
272D87.9Confident81.1Confident7 Ų753.8 Ų53.84%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-103.1141.9166.3-65.9-15.2000109.7I339 R340 T342 T343D272-I339 WeakPolarHBondContact O-CA 3.4Å; D272-R340 PolarHBondContact N-O 3.23Å; D272-R340 PolarHBondContact O-N 2.64Å; D272-T342 VanDerWaalsContact OD1-CB 3.31Å; D272-T342 WeakPolarHBondContact OD1-CB 3.46Å; D272-T342 PolarHBondContact OD1-OG1 3.38Å; D272-T342 WeakPolarHBondContact OD2-CA 3.43Å; D272-T342 PolarHBondContact OD2-OG1 3.04Å; D272-T343 PolarHBondContact OD2-N 2.97Å
273M85.7Confident82.2Confident3 Ų349 Ų492%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-101.9136.4176.6-57.9-179.570.200110.5H252 L253 V296 F299 L337 V338 I339 L405H252-M273 HydrophobicContact CB-CB 4.05Å; H252-M273 HydrophobicContact CB-CG 3.77Å; H252-M273 HydrophobicContact CB-SD 4.28Å; H252-M273 PolarHBondContact ND1-N 3.07Å; H252-M273 VanDerWaalsContact ND1-N 3.13Å; H252-M273 PolarHBondContact ND1-O 2.69Å; H252-M273 VanDerWaalsContact ND1-O 3.15Å; L253-M273 HydrophobicContact CB-CG 4Å; L253-M273 HydrophobicContact CB-SD 4.01Å; L253-M273 HydrophobicContact CD2-CG 4.44Å; L253-M273 HydrophobicContact CD2-SD 4.47Å; M273-V296 HydrophobicContact CB-CG1 4.05Å; M273-V296 HydrophobicContact CB-CG2 4.04Å; M273-F299 HydrophobicContact CE-CB 4.08Å; M273-F299 HydrophobicContact CE-CD1 3.94Å; M273-F299 HydrophobicContact CE-CE1 4.48Å; M273-F299 HydrophobicContact CE-CG 3.95Å; M273-F299 HydrophobicContact SD-CB 4.49Å; M273-L337 HydrophobicContact CE-CB 4.28Å; M273-L337 HydrophobicContact CE-CD1 3.4Å; M273-L337 HydrophobicContact CE-CG 4.48Å; M273-V338 CarbonylContact C-O 3.56Å; M273-I339 HydrophobicContact CB-CD1 4.29Å; M273-I339 HydrophobicContact CE-CD1 4.14Å; M273-I339 HydrophobicContact CG-CD1 3.66Å; M273-L405 HydrophobicContact CE-CD2 3.71Å
274L84.6Confident82.6Confident36 Ų3649.2 Ų49.219%0.18828%0.275CS..EExtended strand (participates in β ladder)trans-132.4135-179.2-63.8173.5000111.2V338 R340L274-V338 HydrophobicContact CB-CB 4.3Å; L274-V338 PolarHBondContact N-O 3.13Å; L274-V338 PolarHBondContact O-N 2.84Å; L274-R340 HydrophobicContact CD1-CG 4.36Å; L274-R340 VanDerWaalsContact CD1-NH1 3.25Å
275E84.5Confident82.6Confident16 Ų1649.3 Ų49.38%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-75.2128.5170.5-60.9-177.9171.600109.9R66 S295 V296 L337R66-E275 IonicContact CZ-OE2 3.45Å; R66-E275 IonicContact NH1-OE2 2.64Å; R66-E275 PolarHBondContact NH1-OE2 2.84Å; R66-E275 IonicContact NH2-OE1 2.71Å; R66-E275 IonicContact NH2-OE2 3.8Å; R66-E275 PolarHBondContact NH2-OE2 3.34Å; E275-S295 VanDerWaalsContact OE1-CA 3.24Å; E275-S295 WeakPolarHBondContact OE1-CA 3.33Å; E275-S295 VanDerWaalsContact OE1-CB 3.3Å; E275-S295 WeakPolarHBondContact OE1-CB 3.33Å; E275-S295 PolarHBondContact OE1-OG 3.08Å; E275-V296 HydrophobicContact CG-CG2 3.73Å; E275-V296 PolarHBondContact OE1-N 3.37Å; E275-L337 HydrophobicContact CG-CD2 4.11Å
276R82.1Confident81.8Confident161 Ų16145.6 Ų45.661%0.60826%0.261SS*.SBendtrans-86.1-24.6175.7-176.657.2-175.690.7-4.1113V338R276-V338 HydrophobicContact CB-CG2 4.04Å
277L83.3Confident80.5Confident72 Ų7248.4 Ų48.438%0.37728%0.28SS..SBendtrans-147.6146.8-1715493000108.7L335 P336L277-L335 HydrophobicContact CD1-CB 4.03Å; L277-L335 HydrophobicContact CD1-CD1 3.53Å; L277-L335 HydrophobicContact CD1-CD2 3.43Å; L277-L335 VanDerWaalsContact CD1-CD2 3.43Å; L277-L335 HydrophobicContact CD1-CG 3.81Å; L277-P336 HydrophobicContact CD2-CG 4.42Å
278I82.9Confident78.7Confident46 Ų4651.2 Ų51.224%0.23630%0.302CS..  trans-76.7133.2175.2-60.1169.4000107.4L57 L61 L243 P280 L282L57-I278 HydrophobicContact CD2-CD1 3.96Å; L61-I278 HydrophobicContact CD1-CD1 4.28Å; L61-I278 HydrophobicContact CD1-CG2 4.17Å; L61-I278 HydrophobicContact CD2-CG2 3.69Å; L243-I278 HydrophobicContact CB-CD1 4.41Å; L243-I278 HydrophobicContact CD1-CD1 3.61Å; I278-P280 WeakPolarHBondContact O-CD 3.39Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å
279S81.1Confident76.7Confident4 Ų454.6 Ų54.63%0.02832%0.316CS..  trans-54.5123.1176.8155.60000111.6A281 L282 E294 L335S279-A281 PolarHBondContact O-N 3.21Å; S279-A281 WeakPolarHBondContact OG-CB 3.14Å; S279-A281 PolarHBondContact OG-N 3.2Å; S279-L282 WeakPolarHBondContact O-CB 3.46Å; S279-L282 PolarHBondContact O-N 3.43Å; S279-E294 WeakPolarHBondContact CB-OE2 3.33Å; S279-E294 PolarHBondContact OG-OE2 3Å; S279-L335 VanDerWaalsContact CA-CD1 3.43Å
280P80.6Confident74.7Confident65 Ų6557.2 Ų57.242%0.42234%0.343SS..G310 helixtrans-60.7-25.5173.3-24.635.5000113I278 L282 V283 T286I278-P280 WeakPolarHBondContact O-CD 3.39Å; P280-L282 PolarHBondContact O-N 2.94Å; P280-V283 WeakPolarHBondContact O-CB 3.3Å; P280-V283 PolarHBondContact O-N 3.11Å; P280-T286 VanDerWaalsContact O-CG2 3.26Å; P280-T286 WeakPolarHBondContact O-CG2 3.39Å; P280-T286 PolarHBondContact O-OG1 2.88Å
281A78.1Confident72.8Confident33 Ų3361.1 Ų61.127%0.27337%0.369SS..G310 helixtrans-66.9-15.5174.600000113.2S279 V283 E294S279-A281 PolarHBondContact O-N 3.21Å; S279-A281 WeakPolarHBondContact OG-CB 3.14Å; S279-A281 PolarHBondContact OG-N 3.2Å; A281-V283 VanDerWaalsContact C-N 3.32Å; A281-E294 WeakPolarHBondContact CB-OE2 3.13Å
282L79.4Confident71.4Confident35 Ų3569.2 Ų69.218%0.18341%0.405CS..G310 helixtrans-83.8-6.8172.6-56.4177000113L61 D62 I278 S279 P280 P284L61-L282 WeakPolarHBondContact CA-O 3.24Å; L61-L282 HydrophobicContact CD2-CB 4.09Å; D62-L282 PolarHBondContact N-O 3.34Å; I278-L282 HydrophobicContact CG2-CD1 4.24Å; S279-L282 WeakPolarHBondContact O-CB 3.46Å; S279-L282 PolarHBondContact O-N 3.43Å; P280-L282 PolarHBondContact O-N 2.94Å; L282-P284 WeakPolarHBondContact O-CD 3.44Å
283V80.5Confident69.9Low55 Ų5569.8 Ų69.833%0.33341%0.408SS..SBendtrans-89.7117.3179.5-177.70000108.8L61 P280 A281 S285 T286L61-V283 HydrophobicContact CD2-CG2 4.43Å; P280-V283 WeakPolarHBondContact O-CB 3.3Å; P280-V283 PolarHBondContact O-N 3.11Å; A281-V283 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 2.91Å; V283-T286 HydrophobicContact CB-CG2 4.34Å; V283-T286 PolarHBondContact O-N 2.99Å; V283-T286 PolarHBondContact O-OG1 2.85Å; V283-T286 VanDerWaalsContact O-OG1 3.08Å
284P67.8Low68.9Low57 Ų5770.4 Ų70.437%0.3741%0.412SS..THydrogen-bonded Turntrans-59.3129.6178.819.5-29.3000109.4S60 L282S60-P284 WeakPolarHBondContact O-CD 3.42Å; S60-P284 VanDerWaalsContact O-CG 3.26Å; S60-P284 WeakPolarHBondContact O-CG 3.24Å; L282-P284 WeakPolarHBondContact O-CD 3.44Å
285S63.4Low68Low128 Ų12869.4 Ų69.490%0.89541%0.408SS*.THydrogen-bonded Turntrans99.1-1.5-174.4-38.70000116.7V283V283-S285 PolarHBondContact O-N 2.91Å
286T56.7Low66.9Low55 Ų5568.8 Ų68.834%0.33741%0.405SS..SBendtrans-77.3130.4165.454.80000109.8P280 V283 S288P280-T286 VanDerWaalsContact O-CG2 3.26Å; P280-T286 WeakPolarHBondContact O-CG2 3.39Å; P280-T286 PolarHBondContact O-OG1 2.88Å; V283-T286 HydrophobicContact CB-CG2 4.34Å; V283-T286 PolarHBondContact O-N 2.99Å; V283-T286 PolarHBondContact O-OG1 2.85Å; V283-T286 VanDerWaalsContact O-OG1 3.08Å; T286-S288 PolarHBondContact O-N 3.15Å
287P52.8Low66.1Low112 Ų11264.1 Ų64.173%0.72739%0.387SS*.  trans-58.4125.5170.423.8-30.2000107.1L289P287-L289 PolarHBondContact O-N 3.5Å
288S50.6Low65.2Low110 Ų11063.9 Ų63.977%0.76939%0.386SS*.  trans-47.493.7-169.457.20000112.3T286T286-S288 PolarHBondContact O-N 3.15Å
289L51Low64.2Low114 Ų11461.9 Ų61.960%0.59738%0.376SS*.  trans-72.5137165.8-123.470.5000106.4P287P287-L289 PolarHBondContact O-N 3.5Å
290G52Low63.2Low55 Ų5564.5 Ų64.557%0.56739%0.389SS*.  trans-50.3145.1-163.100000116.1K292G290-K292 PolarHBondContact O-N 3.32Å
291V53.6Low62Low119 Ų11963.9 Ų63.972%0.72139%0.385SS*.THydrogen-bonded Turntrans-84.27.1-155.1-178.40000115.8
292K61.6Low60.8Low170 Ų17066.3 Ų66.374%0.73941%0.405SS*.THydrogen-bonded Turntrans-133.717.1-160.4-69.5-168.5172.5-178.40118.9G290 D298G290-K292 PolarHBondContact O-N 3.32Å; K292-D298 WeakPolarHBondContact O-CB 3.24Å
293T56.5Low59.4Low19 Ų1968.7 Ų68.712%0.11742%0.421CS..SBendtrans-14731.3176.251.50000112.7D298 Y333 L335 P407T293-D298 PolarHBondContact N-OD2 2.82Å; T293-Y333 HydrophobicContact CG2-CD2 4.33Å; T293-Y333 HydrophobicContact CG2-CE2 3.45Å; T293-Y333 VanDerWaalsContact CG2-CE2 3.45Å; T293-L335 PolarHBondContact O-N 3.08Å; T293-P407 HydrophobicContact CG2-CB 4.25Å; T293-P407 HydrophobicContact CG2-CG 3.96Å
294E65Low57.7Low17 Ų1775.6 Ų75.68%0.07945%0.446CS..SBendtrans-122-7.3-166.9-59.4-157.5175.400113.5S279 A281 D298 L335S279-E294 WeakPolarHBondContact CB-OE2 3.33Å; S279-E294 PolarHBondContact OG-OE2 3Å; A281-E294 WeakPolarHBondContact CB-OE2 3.13Å; E294-D298 PolarHBondContact N-OD2 2.77Å; E294-L335 HydrophobicContact CB-CD1 3.64Å; E294-L335 HydrophobicContact CB-CG 4.15Å; E294-L335 HydrophobicContact CG-CD1 4.03Å; E294-L335 HydrophobicContact CG-CG 4.12Å; E294-L335 WeakPolarHBondContact O-CD1 3.3Å
295S65.1Low56.5Low15 Ų1575 Ų7511%0.10545%0.45CS..SBendtrans-135.7154.9172.9-179.80000111.3E275 R297 D298 F299E275-S295 VanDerWaalsContact OE1-CA 3.24Å; E275-S295 WeakPolarHBondContact OE1-CA 3.33Å; E275-S295 VanDerWaalsContact OE1-CB 3.3Å; E275-S295 WeakPolarHBondContact OE1-CB 3.33Å; E275-S295 PolarHBondContact OE1-OG 3.08Å; S295-R297 PolarHBondContact O-N 3.37Å; S295-R297 PolarHBondContact OG-N 2.67Å; S295-D298 PolarHBondContact N-OD2 3.49Å; S295-D298 WeakPolarHBondContact O-CB 3.49Å; S295-D298 PolarHBondContact O-N 2.8Å; S295-F299 VanDerWaalsContact O-CD2 3.24Å; S295-F299 WeakPolarHBondContact O-CD2 3.38Å
296V60.3Low55.1Low2 Ų276.1 Ų76.11%0.01246%0.455CS..G310 helixtrans-50.5-30.9169.5172.60000111.3M273 E275 D298 F299 L300 L337M273-V296 HydrophobicContact CB-CG1 4.05Å; M273-V296 HydrophobicContact CB-CG2 4.04Å; E275-V296 HydrophobicContact CG-CG2 3.73Å; E275-V296 PolarHBondContact OE1-N 3.37Å; V296-D298 VanDerWaalsContact C-N 3.29Å; V296-D298 PolarHBondContact O-N 3.36Å; V296-F299 WeakPolarHBondContact O-CB 3.3Å; V296-F299 PolarHBondContact O-N 2.85Å; V296-F299 VanDerWaalsContact O-N 3.09Å; V296-L300 PolarHBondContact O-N 2.64Å; V296-L337 HydrophobicContact CG2-CD1 4.19Å; V296-L337 HydrophobicContact CG2-CD2 4.06Å
297R65.2Low54.4Low64 Ų6475.5 Ų75.524%0.24246%0.46CS..G310 helixtrans-65.8-28179.4-59.4-176.2-169.1158.29.5114.3L23 P64 E245 S295 F299 L300L23-R297 VanDerWaalsContact CD2-CZ 3.46Å; P64-R297 VanDerWaalsContact CB-NH1 3.3Å; P64-R297 VanDerWaalsContact CD-NH1 3.26Å; E245-R297 IonicContact OE1-CZ 3.21Å; E245-R297 IonicContact OE1-NE 2.71Å; E245-R297 PolarHBondContact OE1-NE 2.74Å; E245-R297 IonicContact OE1-NH2 2.78Å; E245-R297 PolarHBondContact OE1-NH2 2.75Å; S295-R297 PolarHBondContact O-N 3.37Å; S295-R297 PolarHBondContact OG-N 2.67Å; R297-F299 PolarHBondContact O-N 2.88Å; R297-L300 PolarHBondContact O-N 2.82Å
298D64.2Low53.9Low67 Ų6778.9 Ų78.936%0.35847%0.472SS..G310 helixtrans-68.8-17.4177.1-59.8-32.2000111.6K292 T293 E294 S295 V296K292-D298 WeakPolarHBondContact O-CB 3.24Å; T293-D298 PolarHBondContact N-OD2 2.82Å; E294-D298 PolarHBondContact N-OD2 2.77Å; S295-D298 PolarHBondContact N-OD2 3.49Å; S295-D298 WeakPolarHBondContact O-CB 3.49Å; S295-D298 PolarHBondContact O-N 2.8Å; V296-D298 VanDerWaalsContact C-N 3.29Å; V296-D298 PolarHBondContact O-N 3.36Å
299F62.2Low53.7Low4 Ų481.9 Ų81.92%0.01847%0.473CS..THydrogen-bonded Turntrans-96.2-27.1-179.2-64.9-108000112.1M273 S295 V296 R297 Q314 L337 Y393 L405 P407M273-F299 HydrophobicContact CE-CB 4.08Å; M273-F299 HydrophobicContact CE-CD1 3.94Å; M273-F299 HydrophobicContact CE-CE1 4.48Å; M273-F299 HydrophobicContact CE-CG 3.95Å; M273-F299 HydrophobicContact SD-CB 4.49Å; S295-F299 VanDerWaalsContact O-CD2 3.24Å; S295-F299 WeakPolarHBondContact O-CD2 3.38Å; V296-F299 WeakPolarHBondContact O-CB 3.3Å; V296-F299 PolarHBondContact O-N 2.85Å; V296-F299 VanDerWaalsContact O-N 3.09Å; R297-F299 PolarHBondContact O-N 2.88Å; F299-Q314 PolarHBondContact O-NE2 3.48Å; F299-Q314 PolarHBondContact O-OE1 3.21Å; F299-L337 HydrophobicContact CD1-CD1 4.36Å; F299-L337 HydrophobicContact CD2-CD1 3.53Å; F299-L337 HydrophobicContact CE1-CD1 4.11Å; F299-L337 HydrophobicContact CE2-CD1 3.3Å; F299-L337 HydrophobicContact CE2-CG 4.3Å; F299-L337 HydrophobicContact CG-CD1 4.09Å; F299-L337 HydrophobicContact CZ-CD1 3.62Å; F299-L337 HydrophobicContact CZ-CG 4.4Å; F299-Y393 AromaticContact CD1-CE1 3.93Å; F299-Y393 HydrophobicContact CD1-CE1 3.93Å; F299-Y393 AromaticContact CD1-CZ 3.86Å; F299-Y393 AromaticContact CE1-CD1 3.87Å; F299-Y393 HydrophobicContact CE1-CD1 3.87Å; F299-Y393 AromaticContact CE1-CE1 3.18Å; F299-Y393 HydrophobicContact CE1-CE1 3.18Å; F299-Y393 AromaticContact CE1-CZ 3.6Å; F299-Y393 AromaticContact CZ-CE1 3.95Å; F299-Y393 HydrophobicContact CZ-CE1 3.95Å; F299-L405 HydrophobicContact CD1-CD2 4.21Å; F299-L405 HydrophobicContact CE1-CD2 3.94Å; F299-P407 HydrophobicContact CZ-CG 4.37Å
300L60.5Low53.8Low59 Ų5980 Ų8031%0.30947%0.469SS..SBendtrans-70.4138.6178.2-63.7175.8000110.8V296 R297 A302V296-L300 PolarHBondContact O-N 2.64Å; R297-L300 PolarHBondContact O-N 2.82Å; L300-A302 PolarHBondContact O-N 3.08Å
301P56.3Low54.2Low52 Ų5280 Ų8034%0.33846%0.46SS..PPolyproline II helixtrans-59.1133.4177.621.7-29.8000110.5V303 T312P301-V303 PolarHBondContact O-N 3.47Å; P301-V303 VanDerWaalsContact O-N 3.11Å; P301-T312 WeakPolarHBondContact CG-O 3.45Å
302A52.4Low54.9Low84 Ų8479.4 Ų79.469%0.69446%0.457SS*.PPolyproline II helixtrans-59.1118.9176.700000109.2L300 K304L300-A302 PolarHBondContact O-N 3.08Å; A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.27Å
303V50.8Low55.8Low84 Ų8473 Ų7351%0.50943%0.433SS..  trans-62.993.4177.5-177.30000108.6P301 P311P301-V303 PolarHBondContact O-N 3.47Å; P301-V303 VanDerWaalsContact O-N 3.11Å; V303-P311 HydrophobicContact CG2-CB 4.25Å; V303-P311 HydrophobicContact CG2-CG 4.32Å
304K43.6Very low57Low200 Ų20073.3 Ų73.387%0.8743%0.432SS*.  trans-107.382171.4-74.9-173.3177.6-1800108.4A302A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.27Å
305G42.1Very low58.1Low44 Ų4477.6 Ų77.645%0.45445%0.448SS..  trans-168139.3171.600000111.8G307G305-G307 PolarHBondContact O-N 2.8Å
306P34.8Very low59.3Low153 Ų15376.9 Ų76.999%0.99444%0.443SS*.SBendtrans-8016.4177.333.8-34.1000113.2
307G41.9Very low60.8Low42 Ų4283.4 Ų83.443%0.43347%0.467SS..SBendtrans-120.1145.2-176.800000111.9G305 Q309G305-G307 PolarHBondContact O-N 2.8Å; G307-Q309 PolarHBondContact O-N 2.86Å
308N41.8Very low62.2Low183 Ų18381 Ų8198%0.97946%0.46SS*.  trans-60.932.5173.3-86.8-16.9000114.5
309Q47.1Very low63.5Low172 Ų17281.4 Ų81.480%0.80446%0.461SS*.PPolyproline II helixtrans-80.7126.9174.5-62.5-17324.400108.7G307G307-Q309 PolarHBondContact O-N 2.86Å
310S53Low65Low74 Ų7487.3 Ų87.352%0.51749%0.487SS..PPolyproline II helixtrans-58.7133.4172.748.10000109.8T312S310-T312 PolarHBondContact O-N 3.31Å
311P60.9Low66.7Low56 Ų5688.3 Ų88.336%0.36450%0.495SS..PPolyproline II helixtrans-57137.7174.721.7-30.9000110.1V303V303-P311 HydrophobicContact CG2-CB 4.25Å; V303-P311 HydrophobicContact CG2-CG 4.32Å
312T67.8Low68.6Low107 Ų10787.6 Ų87.666%0.65649%0.488SS*.PPolyproline II helixtrans-69.3143.7176.343.90000110.3P301 S310P301-T312 WeakPolarHBondContact CG-O 3.45Å; S310-T312 PolarHBondContact O-N 3.31Å
313P79.6Confident70.6Confident36 Ų3688 Ų8823%0.23448%0.476CS..PPolyproline II helixtrans-57.1142.5174-24.234.3000111.2E251E251-P313 HydrophobicContact CB-CB 4.47Å; E251-P313 HydrophobicContact CB-CG 4.08Å
314Q82.4Confident72.5Confident24 Ų2485.3 Ų85.311%0.11246%0.462CS..EExtended strand (participates in β ladder)trans-68.6138.6176.4-170.1178.631.500109.5H252 L253 H254 F299 V377H252-Q314 PolarHBondContact O-N 3.02Å; L253-Q314 CarbonylContact C-O 3.54Å; L253-Q314 WeakPolarHBondContact CA-O 3.47Å; L253-Q314 HydrophobicContact CD1-CB 4.47Å; L253-Q314 WeakPolarHBondContact CD1-O 3.49Å; H254-Q314 PolarHBondContact N-O 2.85Å; F299-Q314 PolarHBondContact O-NE2 3.48Å; F299-Q314 PolarHBondContact O-OE1 3.21Å; Q314-V377 HydrophobicContact CG-CG1 4.32Å
315R87.7Confident74.8Confident107 Ų10782.1 Ų82.140%0.40445%0.454SS..EExtended strand (participates in β ladder)trans-107.9120178.8-57.6-179.575.3-163.4-0.4110.1H254 L256 E378H254-R315 HydrophobicContact CB-CG 4.18Å; H254-R315 WeakPolarHBondContact O-CA 3.23Å; L256-R315 HydrophobicContact CD1-CB 4.22Å; R315-E378 HydrophobicContact CB-CB 4.18Å; R315-E378 HydrophobicContact CB-CG 4.16Å; R315-E378 IonicContact CZ-OE2 3.21Å; R315-E378 IonicContact NE-OE2 3.35Å; R315-E378 PolarHBondContact NE-OE2 2.82Å; R315-E378 IonicContact NH1-OE2 3.18Å; R315-E378 PolarHBondContact NH1-OE2 2.79Å; R315-E378 IonicContact NH2-OE2 3.86Å; R315-E378 PolarHBondContact O-N 3.42Å
316L90.7Very high77Confident0 Ų083.1 Ų83.10%046%0.464CS..EExtended strand (participates in β ladder)trans-111.6118.4176.2-68.9-178.9000109.3L253 H254 L255 L256 L375 R376 V377 Y393 L405L253-L316 HydrophobicContact CD1-CB 3.97Å; L253-L316 HydrophobicContact CD1-CD1 3.4Å; L253-L316 HydrophobicContact CD1-CG 3.41Å; L253-L316 VanDerWaalsContact CD1-CG 3.41Å; L253-L316 HydrophobicContact CD2-CD1 4.03Å; L253-L316 HydrophobicContact CG-CD1 4.35Å; H254-L316 PolarHBondContact O-N 3.1Å; L255-L316 WeakPolarHBondContact CA-O 3.25Å; L255-L316 HydrophobicContact CD2-CB 4.13Å; L255-L316 HydrophobicContact CD2-CD1 4.43Å; L256-L316 PolarHBondContact N-O 3.29Å; L316-L375 HydrophobicContact CB-CB 4.35Å; L316-L375 HydrophobicContact CB-CD1 4.29Å; L316-L375 HydrophobicContact CD1-CD1 3.88Å; L316-R376 WeakPolarHBondContact CA-O 3.42Å; L316-V377 HydrophobicContact CD2-CB 4.2Å; L316-V377 HydrophobicContact CD2-CG2 3.61Å; L316-Y393 HydrophobicContact CD1-CD2 4.34Å; L316-Y393 HydrophobicContact CD2-CD2 3.81Å; L316-Y393 HydrophobicContact CD2-CE2 4.01Å; L316-L405 HydrophobicContact CD1-CD1 3.98Å; L316-L405 HydrophobicContact CD1-CD2 4.09Å
317R92.2Very high79.7Confident140 Ų14077.1 Ų77.153%0.52843%0.425SS..EExtended strand (participates in β ladder)trans-94.6131.4178.2-173.2174.5-176.7-178.43.1110.9L256 I319 L375 R376 E378L256-R317 HydrophobicContact CB-CB 4.41Å; L256-R317 HydrophobicContact CB-CG 4.43Å; R317-I319 PolarHBondContact O-N 3.18Å; R317-L375 CarbonylContact O-C 3.6Å; R317-L375 WeakPolarHBondContact O-CA 3.16Å; R317-R376 PolarHBondContact N-O 2.89Å; R317-R376 PolarHBondContact O-N 2.88Å; R317-E378 HydrophobicContact CB-CG 4.2Å
318V94.1Very high81.9Confident13 Ų1378.6 Ų78.68%0.07943%0.428CS..EExtended strand (participates in β ladder)trans-69.1123.1169.3179.30000109.1L256 L257 L373 L375L256-V318 PolarHBondContact O-N 3.22Å; L257-V318 HydrophobicContact CD2-CG2 3.7Å; V318-L373 HydrophobicContact CG1-CB 4.38Å; V318-L373 HydrophobicContact CG1-CD2 4.08Å; V318-L373 HydrophobicContact CG2-CB 4.48Å; V318-L373 HydrophobicContact CG2-CD1 3.91Å; V318-L375 HydrophobicContact CB-CD2 4.25Å; V318-L375 HydrophobicContact CG2-CD2 3.49Å; V318-L375 VanDerWaalsContact CG2-CD2 3.49Å
319I92.8Very high84.1Confident75 Ų7575.1 Ų75.139%0.38541%0.406SS..EExtended strand (participates in β ladder)trans-109.4-24.517859.5165.1000112.7R317 L374 R376R317-I319 PolarHBondContact O-N 3.18Å; I319-L374 HydrophobicContact CD1-CD2 3.72Å; I319-L374 HydrophobicContact CD1-CG 3.89Å; I319-L374 HydrophobicContact CG1-CB 4.16Å; I319-L374 HydrophobicContact CG1-CD2 4.01Å; I319-L374 HydrophobicContact CG1-CG 3.85Å; I319-L374 VanDerWaalsContact CG1-O 3.29Å; I319-L374 WeakPolarHBondContact CG1-O 3.44Å; I319-L374 PolarHBondContact N-O 2.83Å; I319-R376 HydrophobicContact CD1-CB 4.3Å; I319-R376 HydrophobicContact CG2-CB 3.88Å
320K93.4Very high86Confident129 Ų12971.7 Ų71.756%0.56140%0.401SS*.EExtended strand (participates in β ladder)trans-158.3150.6-179.4-164.2169.9177.9-179.40111.9L322 L374K320-L322 HydrophobicContact CD-CD2 4.08Å; K320-L322 HydrophobicContact CG-CD2 4.18Å; K320-L374 HydrophobicContact CB-CB 4.08Å; K320-L374 HydrophobicContact CB-CD2 4.31Å; K320-L374 PolarHBondContact N-O 3.47Å; K320-L374 PolarHBondContact O-N 3.19Å
321V95.4Very high87.7Confident79 Ų7970.2 Ų70.248%0.47939%0.388SS..EExtended strand (participates in β ladder)trans-96.3134.2167-177.90000108.5L371 L373V321-L371 HydrophobicContact CG1-CB 4.04Å; V321-L371 HydrophobicContact CG1-CD1 3.74Å; V321-L371 HydrophobicContact CG1-CD2 3.94Å; V321-L371 HydrophobicContact CG1-CG 4.1Å; V321-L373 HydrophobicContact CB-CD2 4.44Å; V321-L373 HydrophobicContact CG2-CD2 3.84Å
322L95.3Very high89.1Confident37 Ų3768.4 Ų68.419%0.19438%0.376CS..EExtended strand (participates in β ladder)trans-119.8147.3-179.2-54.8177.3000109.1K320 V327 L371 F372 L374 V394K320-L322 HydrophobicContact CD-CD2 4.08Å; K320-L322 HydrophobicContact CG-CD2 4.18Å; L322-V327 HydrophobicContact CB-CG2 4.14Å; L322-V327 HydrophobicContact CD1-CG2 3.78Å; L322-L371 CarbonylContact O-C 3.5Å; L322-L371 VanDerWaalsContact O-CA 3.3Å; L322-L371 WeakPolarHBondContact O-CA 3.29Å; L322-F372 HydrophobicContact CB-CB 4.32Å; L322-F372 PolarHBondContact N-O 2.95Å; L322-F372 PolarHBondContact O-N 3.39Å; L322-L374 HydrophobicContact CD1-CB 3.98Å; L322-L374 HydrophobicContact CG-CB 4.22Å; L322-V394 HydrophobicContact CD1-CG2 4.19Å
323H95.5Very high89.9Confident94 Ų9467.7 Ų67.744%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-80.2143.9168.1-155.9-104000109.4D325 G326H323-D325 VanDerWaalsContact C-N 3.32Å; H323-D325 IonicContact CE1-OD1 3.44Å; H323-D325 IonicContact CE1-OD2 3.73Å; H323-D325 IonicContact CG-OD1 3.47Å; H323-D325 IonicContact ND1-OD1 2.66Å; H323-D325 PolarHBondContact ND1-OD1 3.37Å; H323-D325 IonicContact ND1-OD2 2.65Å; H323-D325 PolarHBondContact ND1-OD2 3.48Å; H323-D325 PolarHBondContact O-N 3.03Å; H323-G326 PolarHBondContact O-N 2.89Å; H323-G326 VanDerWaalsContact O-N 3.08Å
324A90.5Very high90.1Very high27 Ų2767.8 Ų67.822%0.22337%0.369CS..G310 helixtrans-62.6-37.1-171.800000112.9G326 D370 F372A324-G326 PolarHBondContact O-N 3.02Å; A324-D370 HydrophobicContact CB-CB 4.25Å; A324-D370 VanDerWaalsContact CB-O 3.23Å; A324-D370 WeakPolarHBondContact CB-O 3.33Å; A324-D370 PolarHBondContact N-O 2.88Å; A324-F372 HydrophobicContact CB-CD1 4.24Å; A324-F372 HydrophobicContact CB-CD2 4.41Å; A324-F372 HydrophobicContact CB-CE1 3.69Å; A324-F372 HydrophobicContact CB-CE2 3.9Å; A324-F372 HydrophobicContact CB-CZ 3.5Å
325D92.1Very high90.1Very high133 Ų13367.9 Ų67.971%0.71137%0.37SS*.G310 helixtrans-71.1-16.3176.865.4-1.2000113.9H323H323-D325 VanDerWaalsContact C-N 3.32Å; H323-D325 IonicContact CE1-OD1 3.44Å; H323-D325 IonicContact CE1-OD2 3.73Å; H323-D325 IonicContact CG-OD1 3.47Å; H323-D325 IonicContact ND1-OD1 2.66Å; H323-D325 PolarHBondContact ND1-OD1 3.37Å; H323-D325 IonicContact ND1-OD2 2.65Å; H323-D325 PolarHBondContact ND1-OD2 3.48Å; H323-D325 PolarHBondContact O-N 3.03Å
326G88.6Confident90.1Very high64 Ų6464.2 Ų64.266%0.6636%0.36SS*.G310 helixtrans-86-5.4-17700000114H323 A324H323-G326 PolarHBondContact O-N 2.89Å; H323-G326 VanDerWaalsContact O-N 3.08Å; A324-G326 PolarHBondContact O-N 3.02Å
327V90.4Very high90Very high27 Ų2764.3 Ų64.316%0.16436%0.361CS..  trans-106.3111.3-177.3-176.40000110.4L322 L332 F372L322-V327 HydrophobicContact CB-CG2 4.14Å; L322-V327 HydrophobicContact CD1-CG2 3.78Å; V327-L332 HydrophobicContact CG1-CD1 4.18Å; V327-L332 HydrophobicContact CG1-CD2 4.34Å; V327-L332 HydrophobicContact CG1-CG 4.44Å; V327-F372 HydrophobicContact CB-CD2 4.18Å; V327-F372 HydrophobicContact CB-CE2 4.34Å; V327-F372 HydrophobicContact CG2-CD2 3.89Å
328C88.5Confident90Very high74 Ų7458.6 Ų58.650%0.534%0.341SS..  trans-76.7132.3174.6-1710000111S330 V331C328-S330 PolarHBondContact O-N 3.06Å; C328-S330 VanDerWaalsContact O-N 3.13Å; C328-S330 PolarHBondContact SG-OG 3.4Å; C328-V331 WeakPolarHBondContact O-CG2 3.28Å; C328-V331 PolarHBondContact O-N 3.02Å
329E89Confident89.9Confident110 Ų11058 Ų5851%0.51434%0.338SS..G310 helixtrans-61.6-20.9175.2-73.9-72.4159.400112.7V331 L332 K406E329-V331 PolarHBondContact O-N 3.41Å; E329-L332 PolarHBondContact O-N 3.18Å; E329-K406 VanDerWaalsContact CD-NZ 3.26Å; E329-K406 IonicContact OE1-NZ 3.88Å; E329-K406 PolarHBondContact OE1-NZ 2.85Å; E329-K406 IonicContact OE2-NZ 3.88Å; E329-K406 PolarHBondContact OE2-NZ 2.66Å
330S86.9Confident89.8Confident99 Ų9960.3 Ų60.369%0.69234%0.342SS*.G310 helixtrans-66.2-17178.2750000114.3C328C328-S330 PolarHBondContact O-N 3.06Å; C328-S330 VanDerWaalsContact O-N 3.13Å; C328-S330 PolarHBondContact SG-OG 3.4Å
331V88Confident89.7Confident43 Ų4355.3 Ų55.326%0.26132%0.322SS..G310 helixtrans-96.8-0.3174.4-58.40000112.2C328 E329 V408 A409 L414C328-V331 WeakPolarHBondContact O-CG2 3.28Å; C328-V331 PolarHBondContact O-N 3.02Å; E329-V331 PolarHBondContact O-N 3.41Å; V331-V408 CarbonylContact O-C 3.58Å; V331-V408 WeakPolarHBondContact O-CA 3.06Å; V331-A409 WeakPolarHBondContact O-CB 3.21Å; V331-A409 PolarHBondContact O-N 2.89Å; V331-L414 HydrophobicContact CG1-CD2 4.45Å
332L90.3Very high89.5Confident19 Ų1951.8 Ų51.810%0.09930%0.301CS..BIsolated β-bridgetrans-101.8144.7175.8-52.8-178.2000108.9V327 E329 V394 K406 P407 V408V327-L332 HydrophobicContact CG1-CD1 4.18Å; V327-L332 HydrophobicContact CG1-CD2 4.34Å; V327-L332 HydrophobicContact CG1-CG 4.44Å; E329-L332 PolarHBondContact O-N 3.18Å; L332-V394 HydrophobicContact CD2-CB 4.29Å; L332-V394 HydrophobicContact CD2-CG2 4.23Å; L332-K406 HydrophobicContact CB-CD 4.46Å; L332-K406 HydrophobicContact CD1-CB 4.44Å; L332-K406 HydrophobicContact CD1-CD 3.63Å; L332-P407 WeakPolarHBondContact CA-O 3.3Å; L332-V408 HydrophobicContact CD2-CG2 3.85Å
333Y85.4Confident88.9Confident92 Ų9254.3 Ų54.336%0.36132%0.318SS..  trans-149.8170.1-178.672.1-84.2000111.5T293 P407 A409 L413T293-Y333 HydrophobicContact CG2-CD2 4.33Å; T293-Y333 HydrophobicContact CG2-CE2 3.45Å; T293-Y333 VanDerWaalsContact CG2-CE2 3.45Å; Y333-P407 HydrophobicContact CD1-CB 3.96Å; Y333-P407 HydrophobicContact CD2-CB 4.31Å; Y333-P407 HydrophobicContact CE1-CB 3.61Å; Y333-P407 HydrophobicContact CE2-CB 4Å; Y333-P407 HydrophobicContact CG-CB 4.29Å; Y333-P407 PolarHBondContact N-O 3.47Å; Y333-P407 WeakPolarHBondContact O-CB 3.24Å; Y333-P407 WeakPolarHBondContact O-CD 3.27Å; Y333-P407 WeakPolarHBondContact O-CG 3.23Å; Y333-A409 HydrophobicContact CD1-CB 4.26Å; Y333-A409 HydrophobicContact CE1-CB 4.47Å; Y333-L413 HydrophobicContact CE1-CD1 4.06Å
334G82.8Confident88.3Confident37 Ų3749.9 Ų49.938%0.38130%0.297SS..SBendtrans73.2-168.7179.900000113.2
335L83.6Confident87.6Confident26 Ų2656.9 Ų56.914%0.13632%0.318CS..  trans-95133.4-175.1-60.3177000110.5L277 S279 T293 E294L277-L335 HydrophobicContact CD1-CB 4.03Å; L277-L335 HydrophobicContact CD1-CD1 3.53Å; L277-L335 HydrophobicContact CD1-CD2 3.43Å; L277-L335 VanDerWaalsContact CD1-CD2 3.43Å; L277-L335 HydrophobicContact CD1-CG 3.81Å; S279-L335 VanDerWaalsContact CA-CD1 3.43Å; T293-L335 PolarHBondContact O-N 3.08Å; E294-L335 HydrophobicContact CB-CD1 3.64Å; E294-L335 HydrophobicContact CB-CG 4.15Å; E294-L335 HydrophobicContact CG-CD1 4.03Å; E294-L335 HydrophobicContact CG-CG 4.12Å; E294-L335 WeakPolarHBondContact O-CD1 3.3Å
336P87.5Confident87.2Confident31 Ų3156.3 Ų56.320%0.20131%0.311CS..  trans-71.6138179.430.7-35.6000110.8L277 L404 K406L277-P336 HydrophobicContact CD2-CG 4.42Å; P336-L404 HydrophobicContact CB-CD1 3.73Å; P336-L404 HydrophobicContact CB-CD2 3.97Å; P336-L404 HydrophobicContact CB-CG 3.81Å; P336-K406 HydrophobicContact CB-CG 4.06Å
337L88.3Confident86.9Confident2 Ų254.1 Ų54.11%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-107.8137.9176.5-62.7-178.6000110.6M273 E275 V296 F299 L404 L405M273-L337 HydrophobicContact CE-CB 4.28Å; M273-L337 HydrophobicContact CE-CD1 3.4Å; M273-L337 HydrophobicContact CE-CG 4.48Å; E275-L337 HydrophobicContact CG-CD2 4.11Å; V296-L337 HydrophobicContact CG2-CD1 4.19Å; V296-L337 HydrophobicContact CG2-CD2 4.06Å; F299-L337 HydrophobicContact CD1-CD1 4.36Å; F299-L337 HydrophobicContact CD2-CD1 3.53Å; F299-L337 HydrophobicContact CE1-CD1 4.11Å; F299-L337 HydrophobicContact CE2-CD1 3.3Å; F299-L337 HydrophobicContact CE2-CG 4.3Å; F299-L337 HydrophobicContact CG-CD1 4.09Å; F299-L337 HydrophobicContact CZ-CD1 3.62Å; F299-L337 HydrophobicContact CZ-CG 4.4Å; L337-L404 WeakPolarHBondContact O-CA 3.45Å; L337-L405 HydrophobicContact CB-CB 4.46Å; L337-L405 PolarHBondContact N-O 2.95Å; L337-L405 PolarHBondContact O-N 2.85Å
338V91Very high86.8Confident20 Ų2057.3 Ų57.312%0.12130%0.3CS..EExtended strand (participates in β ladder)trans-88.7126.7177.8179.10000108.4M273 L274 R276 R340 L404M273-V338 CarbonylContact C-O 3.56Å; L274-V338 HydrophobicContact CB-CB 4.3Å; L274-V338 PolarHBondContact N-O 3.13Å; L274-V338 PolarHBondContact O-N 2.84Å; R276-V338 HydrophobicContact CB-CG2 4.04Å; V338-R340 HydrophobicContact CG1-CG 4.25Å; V338-L404 HydrophobicContact CG2-CD1 4.17Å
339I92.2Very high86.8Confident0 Ų064 Ų640%032%0.315CS..EExtended strand (participates in β ladder)trans-104.9132.7177.1-48.6-58.3000108.4L253 C271 D272 M273 F359 L395 S402 L403 L405L253-I339 HydrophobicContact CD2-CD1 3.87Å; L253-I339 HydrophobicContact CD2-CG1 4.45Å; L253-I339 HydrophobicContact CD2-CG2 4.23Å; C271-I339 HydrophobicContact CB-CG2 3.45Å; C271-I339 VanDerWaalsContact CB-CG2 3.45Å; D272-I339 WeakPolarHBondContact O-CA 3.4Å; M273-I339 HydrophobicContact CB-CD1 4.29Å; M273-I339 HydrophobicContact CE-CD1 4.14Å; M273-I339 HydrophobicContact CG-CD1 3.66Å; I339-F359 HydrophobicContact CG2-CE2 4.05Å; I339-F359 WeakPolarHBondContact O-CZ 3.32Å; I339-L395 HydrophobicContact CG1-CD1 4.05Å; I339-S402 WeakPolarHBondContact O-CB 3.42Å; I339-L403 HydrophobicContact CB-CB 4.13Å; I339-L403 PolarHBondContact N-O 3.38Å; I339-L403 PolarHBondContact O-N 3.43Å; I339-L405 HydrophobicContact CD1-CB 3.9Å; I339-L405 HydrophobicContact CD1-CD2 4.15Å; I339-L405 HydrophobicContact CG1-CB 3.8Å
340R91.9Very high86.9Confident124 Ų12465 Ų6547%0.46832%0.324SS..EExtended strand (participates in β ladder)trans-130.9159177.7-71.7-170.7177.2157.4-4.7110C271 D272 L274 V338 T342C271-R340 CarbonylContact C-O 3.59Å; C271-R340 WeakPolarHBondContact CA-O 3.38Å; C271-R340 VanDerWaalsContact CB-O 3.28Å; C271-R340 WeakPolarHBondContact CB-O 3.5Å; D272-R340 PolarHBondContact N-O 3.23Å; D272-R340 PolarHBondContact O-N 2.64Å; L274-R340 HydrophobicContact CD1-CG 4.36Å; L274-R340 VanDerWaalsContact CD1-NH1 3.25Å; V338-R340 HydrophobicContact CG1-CG 4.25Å; R340-T342 PolarHBondContact O-N 3.34Å
341P91.6Very high87.2Confident24 Ų2463.7 Ų63.716%0.15631%0.307CS..EExtended strand (participates in β ladder)trans-57.5140.8168.327.7-33.3000108.6N356 F359P341-N356 WeakPolarHBondContact CG-OD1 3.43Å; P341-F359 HydrophobicContact CB-CB 4.08Å; P341-F359 HydrophobicContact CB-CD1 4.3Å; P341-F359 HydrophobicContact CB-CD2 4.45Å; P341-F359 HydrophobicContact CB-CG 4.02Å; P341-F359 HydrophobicContact CG-CD1 4.15Å; P341-F359 HydrophobicContact CG-CG 4.38Å
342T89.3Confident87.2Confident4 Ų463.7 Ų63.73%0.02531%0.305CS..  trans-66.3143.9-177.9-172.30000111.3E251 K270 D272 R340 C344 L347E251-T342 HydrophobicContact CG-CG2 4.25Å; K270-T342 HydrophobicContact CB-CG2 3.63Å; K270-T342 PolarHBondContact O-N 2.57Å; K270-T342 VanDerWaalsContact O-N 3.11Å; D272-T342 VanDerWaalsContact OD1-CB 3.31Å; D272-T342 WeakPolarHBondContact OD1-CB 3.46Å; D272-T342 PolarHBondContact OD1-OG1 3.38Å; D272-T342 WeakPolarHBondContact OD2-CA 3.43Å; D272-T342 PolarHBondContact OD2-OG1 3.04Å; R340-T342 PolarHBondContact O-N 3.34Å; T342-C344 HydrophobicContact CG2-CB 4.42Å; T342-C344 WeakPolarHBondContact OG1-CB 3.41Å; T342-C344 PolarHBondContact OG1-N 3.26Å; T342-L347 HydrophobicContact CG2-CD1 3.46Å; T342-L347 VanDerWaalsContact CG2-CD1 3.46Å
343T83.6Confident87.3Confident91 Ų9168.4 Ų68.456%0.55833%0.326SS*.  trans-107.326.2169.965.60000111.3D272 W345D272-T343 PolarHBondContact OD2-N 2.97Å; T343-W345 PolarHBondContact O-N 3.39Å
344C82.9Confident87.7Confident0 Ų068 Ų680%033%0.334CS..  trans-60119.3-179.4-175.20000110.8G248 E251 T342 Q346 L347 M352G248-C344 WeakPolarHBondContact O-CA 3.06Å; E251-C344 HydrophobicContact CG-CB 3.86Å; T342-C344 HydrophobicContact CG2-CB 4.42Å; T342-C344 WeakPolarHBondContact OG1-CB 3.41Å; T342-C344 PolarHBondContact OG1-N 3.26Å; C344-Q346 PolarHBondContact O-N 2.73Å; C344-Q346 VanDerWaalsContact O-N 3.14Å; C344-L347 HydrophobicContact CB-CD1 4.29Å; C344-L347 HydrophobicContact CB-CG 4.37Å; C344-L347 PolarHBondContact O-N 2.62Å; C344-M352 VanDerWaalsContact O-CE 3.23Å; C344-M352 WeakPolarHBondContact O-CE 3.24Å
345W76.7Confident88.2Confident175 Ų17566.7 Ų66.766%0.66332%0.318SS*.THydrogen-bonded Turntrans-66.2-14.7-179.365-98.4000113.9G248 T343 L347G248-W345 PolarHBondContact O-N 3.11Å; T343-W345 PolarHBondContact O-N 3.39Å; W345-L347 PolarHBondContact O-N 2.95Å
346Q82.1Confident88.7Confident121 Ų12167.7 Ų67.757%0.56532%0.323SS*.THydrogen-bonded Turntrans-74.7-13.5-179.4-60.3179.9-0.100112.8C344C344-Q346 PolarHBondContact O-N 2.73Å; C344-Q346 VanDerWaalsContact O-N 3.14Å
347L83.6Confident89Confident17 Ų1769.2 Ų69.29%0.08934%0.335CS..SBendtrans-80.4142.5174.8-59.3172.9000110.1E251 K270 T342 C344 W345 E351 M352E251-L347 VanDerWaalsContact OE1-CD2 3.27Å; E251-L347 WeakPolarHBondContact OE1-CD2 3.38Å; K270-L347 HydrophobicContact CD-CD1 4.22Å; K270-L347 HydrophobicContact CD-CD2 4.06Å; T342-L347 HydrophobicContact CG2-CD1 3.46Å; T342-L347 VanDerWaalsContact CG2-CD1 3.46Å; C344-L347 HydrophobicContact CB-CD1 4.29Å; C344-L347 HydrophobicContact CB-CG 4.37Å; C344-L347 PolarHBondContact O-N 2.62Å; W345-L347 PolarHBondContact O-N 2.95Å; L347-E351 VanDerWaalsContact CD2-CD 3.4Å; L347-E351 HydrophobicContact CD2-CG 4.18Å; L347-E351 WeakPolarHBondContact CD2-OE2 3.15Å; L347-M352 HydrophobicContact CB-CE 4.3Å
348D88.6Confident89.3Confident94 Ų9472.5 Ų72.550%0.50335%0.352SS..  trans-69.8161.4167.267.849.3000110.8D350 E351 M352D348-D350 VanDerWaalsContact C-N 3.3Å; D348-D350 PolarHBondContact O-N 2.99Å; D348-D350 PolarHBondContact OD1-N 3.09Å; D348-E351 PolarHBondContact O-N 3.35Å; D348-E351 WeakPolarHBondContact OD1-CB 3.38Å; D348-E351 PolarHBondContact OD1-N 3.22Å; D348-M352 WeakPolarHBondContact O-CB 3.3Å; D348-M352 PolarHBondContact O-N 2.78Å
349W88Confident89.5Confident214 Ų21471.5 Ų71.581%0.81135%0.346SS*.Hα-helixtrans-62-36.8-175.1-72.6110.5000112.9M352 E353W349-M352 HydrophobicContact CZ3-SD 4.37Å; W349-M352 PolarHBondContact O-N 3.13Å; W349-E353 WeakPolarHBondContact O-CB 3.28Å; W349-E353 PolarHBondContact O-N 2.82Å
350D91.8Very high89.7Confident131 Ų13175 Ų7570%0.70136%0.362SS*.Hα-helixtrans-71-41-178.2-68.1-27.2000111D348 T354D348-D350 VanDerWaalsContact C-N 3.3Å; D348-D350 PolarHBondContact O-N 2.99Å; D348-D350 PolarHBondContact OD1-N 3.09Å; D350-T354 VanDerWaalsContact O-CB 3.29Å; D350-T354 WeakPolarHBondContact O-CB 3.31Å; D350-T354 PolarHBondContact O-N 2.82Å; D350-T354 PolarHBondContact O-OG1 2.85Å
351E91.3Very high89.8Confident73 Ų7371.5 Ų71.534%0.34136%0.36SS..Hα-helixtrans-64-43.3173.6-173.8176.7-173.100110.8K270 L347 D348 T354 N355K270-E351 VanDerWaalsContact CE-OE1 3.24Å; K270-E351 WeakPolarHBondContact CE-OE1 3.43Å; K270-E351 IonicContact NZ-OE1 2.89Å; K270-E351 PolarHBondContact NZ-OE1 3.3Å; K270-E351 IonicContact NZ-OE2 2.61Å; L347-E351 VanDerWaalsContact CD2-CD 3.4Å; L347-E351 HydrophobicContact CD2-CG 4.18Å; L347-E351 WeakPolarHBondContact CD2-OE2 3.15Å; D348-E351 PolarHBondContact O-N 3.35Å; D348-E351 WeakPolarHBondContact OD1-CB 3.38Å; D348-E351 PolarHBondContact OD1-N 3.22Å; E351-T354 PolarHBondContact O-N 3.05Å; E351-N355 WeakPolarHBondContact O-CB 3.36Å; E351-N355 PolarHBondContact O-N 2.7Å
352M89.2Confident90Very high43 Ų4371.3 Ų71.321%0.21236%0.357CS..Hα-helixtrans-62.2-46177.6-171.6174.3-65.200111.8C344 L347 D348 W349 N355 N356C344-M352 VanDerWaalsContact O-CE 3.23Å; C344-M352 WeakPolarHBondContact O-CE 3.24Å; L347-M352 HydrophobicContact CB-CE 4.3Å; D348-M352 WeakPolarHBondContact O-CB 3.3Å; D348-M352 PolarHBondContact O-N 2.78Å; W349-M352 HydrophobicContact CZ3-SD 4.37Å; W349-M352 PolarHBondContact O-N 3.13Å; M352-N355 PolarHBondContact O-N 3Å; M352-N356 VanDerWaalsContact O-CB 3.3Å; M352-N356 WeakPolarHBondContact O-CB 3.36Å; M352-N356 PolarHBondContact O-N 3.46Å
353E92.1Very high90.2Very high117 Ų11771.3 Ų71.355%0.54736%0.358SS..Hα-helixtrans-66.2-42.3178.9-173.958.7-149.200111.8W349 N356 S357W349-E353 WeakPolarHBondContact O-CB 3.28Å; W349-E353 PolarHBondContact O-N 2.82Å; E353-N356 PolarHBondContact O-N 3.11Å; E353-S357 WeakPolarHBondContact O-CB 3.17Å; E353-S357 PolarHBondContact O-N 2.73Å; E353-S357 PolarHBondContact O-OG 3.31Å; E353-S357 VanDerWaalsContact O-OG 3.08Å
354T93.5Very high90.8Very high85 Ų8570.7 Ų70.752%0.52135%0.349SS..Hα-helixtrans-62.8-46.7176-59.10000110.8D350 E351 N356 S357 L358D350-T354 VanDerWaalsContact O-CB 3.29Å; D350-T354 WeakPolarHBondContact O-CB 3.31Å; D350-T354 PolarHBondContact O-N 2.82Å; D350-T354 PolarHBondContact O-OG1 2.85Å; E351-T354 PolarHBondContact O-N 3.05Å; T354-N356 VanDerWaalsContact C-N 3.35Å; T354-N356 PolarHBondContact O-N 2.78Å; T354-S357 PolarHBondContact O-N 3.03Å; T354-L358 HydrophobicContact CG2-CD1 4.14Å; T354-L358 WeakPolarHBondContact O-CB 3.33Å; T354-L358 VanDerWaalsContact O-CG 3.29Å; T354-L358 WeakPolarHBondContact O-CG 3.4Å; T354-L358 PolarHBondContact O-N 2.91Å
355N94.3Very high91.3Very high8 Ų874 Ų744%0.04337%0.369CS..Hα-helixtrans-61.9-42.4177.7-178.566.8000111.9K270 E351 M352 L358 F359K270-N355 PolarHBondContact N-OD1 3.44Å; K270-N355 PolarHBondContact O-ND2 2.92Å; E351-N355 WeakPolarHBondContact O-CB 3.36Å; E351-N355 PolarHBondContact O-N 2.7Å; M352-N355 PolarHBondContact O-N 3Å; N355-L358 PolarHBondContact O-N 3.32Å; N355-F359 WeakPolarHBondContact O-CB 3.3Å; N355-F359 PolarHBondContact O-N 3.45Å
356N93.1Very high92.2Very high48 Ų4866 Ų6626%0.25734%0.339SS..Hα-helixtrans-61.4-49.8176-170.952.6000110.8P341 M352 E353 T354 L358 F359 H360P341-N356 WeakPolarHBondContact CG-OD1 3.43Å; M352-N356 VanDerWaalsContact O-CB 3.3Å; M352-N356 WeakPolarHBondContact O-CB 3.36Å; M352-N356 PolarHBondContact O-N 3.46Å; E353-N356 PolarHBondContact O-N 3.11Å; T354-N356 VanDerWaalsContact C-N 3.35Å; T354-N356 PolarHBondContact O-N 2.78Å; N356-L358 VanDerWaalsContact C-N 3.33Å; N356-L358 PolarHBondContact O-N 3.22Å; N356-F359 PolarHBondContact O-N 3.01Å; N356-H360 WeakPolarHBondContact O-CB 3.31Å; N356-H360 PolarHBondContact O-CD2 3.42Å; N356-H360 PolarHBondContact O-N 3.02Å; N356-H360 PolarHBondContact OD1-CD2 3.28Å; N356-H360 VanDerWaalsContact OD1-CD2 3.31Å; N356-H360 PolarHBondContact OD1-NE2 3.02Å
357S94.2Very high92.8Very high63 Ų6365.8 Ų65.844%0.44133%0.333SS..Hα-helixtrans-56.6-44.1176.4-69.60000112.5E353 T354 H360 A361E353-S357 WeakPolarHBondContact O-CB 3.17Å; E353-S357 PolarHBondContact O-N 2.73Å; E353-S357 PolarHBondContact O-OG 3.31Å; E353-S357 VanDerWaalsContact O-OG 3.08Å; T354-S357 PolarHBondContact O-N 3.03Å; S357-H360 PolarHBondContact O-N 3.26Å; S357-A361 WeakPolarHBondContact O-CB 3.47Å; S357-A361 PolarHBondContact O-N 2.98Å
358L94.4Very high93.3Very high70 Ų7070.7 Ų70.737%0.36636%0.359SS..Hα-helixtrans-63-45.3175.8-73.8171.7000112.2V267 V269 T354 N355 N356 H360 A361 L362V267-L358 HydrophobicContact CG1-CD1 4.25Å; V267-L358 HydrophobicContact CG1-CD2 4.43Å; V269-L358 HydrophobicContact CG2-CB 4.38Å; T354-L358 HydrophobicContact CG2-CD1 4.14Å; T354-L358 WeakPolarHBondContact O-CB 3.33Å; T354-L358 VanDerWaalsContact O-CG 3.29Å; T354-L358 WeakPolarHBondContact O-CG 3.4Å; T354-L358 PolarHBondContact O-N 2.91Å; N355-L358 PolarHBondContact O-N 3.32Å; N356-L358 VanDerWaalsContact C-N 3.33Å; N356-L358 PolarHBondContact O-N 3.22Å; L358-H360 PolarHBondContact O-N 3.31Å; L358-A361 PolarHBondContact O-N 3.41Å; L358-L362 WeakPolarHBondContact O-CB 3.39Å; L358-L362 PolarHBondContact O-N 3.36Å
359F95.6Very high93.6Very high0 Ų071.7 Ų71.70%036%0.361CS..Hα-helixtrans-62.2-43.7178-173.6-83.7000111.7V269 I339 P341 N355 N356 L362 C363 L403V269-F359 HydrophobicContact CG1-CB 3.84Å; V269-F359 HydrophobicContact CG1-CD2 3.71Å; V269-F359 HydrophobicContact CG1-CG 4.28Å; I339-F359 HydrophobicContact CG2-CE2 4.05Å; I339-F359 WeakPolarHBondContact O-CZ 3.32Å; P341-F359 HydrophobicContact CB-CB 4.08Å; P341-F359 HydrophobicContact CB-CD1 4.3Å; P341-F359 HydrophobicContact CB-CD2 4.45Å; P341-F359 HydrophobicContact CB-CG 4.02Å; P341-F359 HydrophobicContact CG-CD1 4.15Å; P341-F359 HydrophobicContact CG-CG 4.38Å; N355-F359 WeakPolarHBondContact O-CB 3.3Å; N355-F359 PolarHBondContact O-N 3.45Å; N356-F359 PolarHBondContact O-N 3.01Å; F359-L362 WeakPolarHBondContact O-CB 3.35Å; F359-L362 PolarHBondContact O-N 2.92Å; F359-C363 WeakPolarHBondContact CE1-SG 3.49Å; F359-C363 PolarHBondContact O-N 3.5Å; F359-C363 PolarHBondContact O-SG 3.36Å; F359-L403 HydrophobicContact CE1-CG 4.5Å; F359-L403 HydrophobicContact CE2-CD1 3.76Å; F359-L403 HydrophobicContact CE2-CG 4.2Å; F359-L403 HydrophobicContact CZ-CB 4.43Å; F359-L403 HydrophobicContact CZ-CD1 3.87Å; F359-L403 HydrophobicContact CZ-CG 3.78Å
360H95.1Very high93.9Very high72 Ų7266.3 Ų66.333%0.33335%0.348SS..Hα-helixtrans-60.9-47.3175.7-86.9-82.7000111.5N356 S357 L358 L362 C363 Q364 V401N356-H360 WeakPolarHBondContact O-CB 3.31Å; N356-H360 PolarHBondContact O-CD2 3.42Å; N356-H360 PolarHBondContact O-N 3.02Å; N356-H360 PolarHBondContact OD1-CD2 3.28Å; N356-H360 VanDerWaalsContact OD1-CD2 3.31Å; N356-H360 PolarHBondContact OD1-NE2 3.02Å; S357-H360 PolarHBondContact O-N 3.26Å; L358-H360 PolarHBondContact O-N 3.31Å; H360-L362 VanDerWaalsContact C-N 3.33Å; H360-L362 PolarHBondContact O-N 2.89Å; H360-C363 PolarHBondContact O-N 3.18Å; H360-Q364 WeakPolarHBondContact O-CG 3.41Å; H360-Q364 PolarHBondContact O-N 3.17Å; H360-V401 WeakPolarHBondContact CE1-CG1 3.37Å; H360-V401 WeakPolarHBondContact ND1-CG1 3.4Å
361A94.8Very high94.2Very high52 Ų5261.5 Ų61.543%0.4332%0.322SS..Hα-helixtrans-60.9-41.5177.400000111.9S357 L358 Q364 T365S357-A361 WeakPolarHBondContact O-CB 3.47Å; S357-A361 PolarHBondContact O-N 2.98Å; L358-A361 PolarHBondContact O-N 3.41Å; A361-Q364 PolarHBondContact O-N 3.45Å; A361-T365 WeakPolarHBondContact O-CB 2.9Å; A361-T365 PolarHBondContact O-N 3.31Å; A361-T365 PolarHBondContact O-OG1 3.48Å
362L95.1Very high94.4Very high19 Ų1959.4 Ų59.410%0.09931%0.312CS..Hα-helixtrans-59.7-50.5175178.962.4000111.6L257 L358 F359 H360 Q364 T365 L366 L373 L403L257-L362 HydrophobicContact CD1-CD1 4.47Å; L257-L362 HydrophobicContact CD2-CD1 4.28Å; L257-L362 HydrophobicContact CD2-CD2 4.3Å; L358-L362 WeakPolarHBondContact O-CB 3.39Å; L358-L362 PolarHBondContact O-N 3.36Å; F359-L362 WeakPolarHBondContact O-CB 3.35Å; F359-L362 PolarHBondContact O-N 2.92Å; H360-L362 VanDerWaalsContact C-N 3.33Å; H360-L362 PolarHBondContact O-N 2.89Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-Q364 PolarHBondContact O-N 3.45Å; L362-T365 PolarHBondContact O-N 2.95Å; L362-L366 HydrophobicContact CD1-CD1 4.04Å; L362-L366 HydrophobicContact CD1-CG 4.2Å; L362-L366 HydrophobicContact CG-CD1 4.17Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.3Å; L362-L373 HydrophobicContact CD1-CD1 4.02Å; L362-L403 HydrophobicContact CD2-CD1 3.96Å; L362-L403 HydrophobicContact CG-CD1 4.46Å
363C95.3Very high94.8Very high5 Ų557.8 Ų57.83%0.03430%0.304CS..Hα-helixtrans-57.5-46.6178.7-69.20000112.1F359 H360 R367 V401 L403F359-C363 WeakPolarHBondContact CE1-SG 3.49Å; F359-C363 PolarHBondContact O-N 3.5Å; F359-C363 PolarHBondContact O-SG 3.36Å; H360-C363 PolarHBondContact O-N 3.18Å; C363-R367 VanDerWaalsContact O-CB 3.28Å; C363-R367 WeakPolarHBondContact O-CB 3.29Å; C363-R367 PolarHBondContact O-N 2.86Å; C363-V401 HydrophobicContact CB-CG1 4.19Å; C363-L403 HydrophobicContact CB-CD2 4.37Å; C363-L403 VanDerWaalsContact SG-CD2 3.5Å
364Q94.7Very high94.9Very high78 Ų7853.8 Ų53.836%0.36429%0.286SS..Hα-helixtrans-66.1-42.1-179.6-69.6-65.7-15.700111.7H360 A361 L362 R367 N368H360-Q364 WeakPolarHBondContact O-CG 3.41Å; H360-Q364 PolarHBondContact O-N 3.17Å; A361-Q364 PolarHBondContact O-N 3.45Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-Q364 PolarHBondContact O-N 3.45Å; Q364-R367 PolarHBondContact O-N 3.45Å; Q364-N368 VanDerWaalsContact O-CB 3.3Å; Q364-N368 WeakPolarHBondContact O-CB 3.5Å; Q364-N368 PolarHBondContact O-N 3.34Å; Q364-N368 PolarHBondContact O-ND2 3.39Å
365T94.4Very high94.9Very high69 Ų6949.7 Ų49.742%0.42326%0.261SS..Hα-helixtrans-61.8-48.4179.2-58.10000111.2A361 L362 R367 Q369A361-T365 WeakPolarHBondContact O-CB 2.9Å; A361-T365 PolarHBondContact O-N 3.31Å; A361-T365 PolarHBondContact O-OG1 3.48Å; L362-T365 PolarHBondContact O-N 2.95Å; T365-R367 VanDerWaalsContact C-N 3.35Å; T365-R367 PolarHBondContact O-N 3.36Å; T365-Q369 PolarHBondContact O-N 3.11Å
366L95.6Very high94.7Very high6 Ų654.5 Ų54.53%0.03128%0.279CS..Hα-helixtrans-62.5-42.9178.3-68.9177.2000111.8L362 D370 L371 L373 P397 L403L362-L366 HydrophobicContact CD1-CD1 4.04Å; L362-L366 HydrophobicContact CD1-CG 4.2Å; L362-L366 HydrophobicContact CG-CD1 4.17Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.3Å; L366-D370 PolarHBondContact O-N 2.72Å; L366-L371 WeakPolarHBondContact CB-O 3.49Å; L366-L371 HydrophobicContact CD2-CB 3.89Å; L366-L371 PolarHBondContact O-N 3.13Å; L366-L373 HydrophobicContact CD1-CD1 3.94Å; L366-L373 HydrophobicContact CD1-CG 3.98Å; L366-L373 HydrophobicContact CD2-CD1 4.19Å; L366-L373 HydrophobicContact CD2-CD2 3.75Å; L366-L373 HydrophobicContact CD2-CG 3.69Å; L366-L373 HydrophobicContact CG-CG 4.48Å; L366-P397 HydrophobicContact CB-CB 3.97Å; L366-P397 HydrophobicContact CB-CG 3.77Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å
367R94.2Very high94.4Very high117 Ų11753.9 Ų53.944%0.44228%0.277SS..Hα-helixtrans-67.7-45.9-179.2-176.7179.8173.8-175.7-2.6112.6C363 Q364 T365 Q369 D370 P397 P399C363-R367 VanDerWaalsContact O-CB 3.28Å; C363-R367 WeakPolarHBondContact O-CB 3.29Å; C363-R367 PolarHBondContact O-N 2.86Å; Q364-R367 PolarHBondContact O-N 3.45Å; T365-R367 VanDerWaalsContact C-N 3.35Å; T365-R367 PolarHBondContact O-N 3.36Å; R367-Q369 PolarHBondContact O-N 3.21Å; R367-D370 PolarHBondContact O-N 3.12Å; R367-P397 HydrophobicContact CB-CB 4.15Å; R367-P397 HydrophobicContact CB-CG 4.27Å; R367-P399 PolarHBondContact NH1-O 3.37Å
368N94.6Very high93.7Very high120 Ų12053.7 Ų53.764%0.64227%0.269SS*.Hα-helixtrans-68.5-18.9-175.1-70-15.3000113Q364Q364-N368 VanDerWaalsContact O-CB 3.3Å; Q364-N368 WeakPolarHBondContact O-CB 3.5Å; Q364-N368 PolarHBondContact O-N 3.34Å; Q364-N368 PolarHBondContact O-ND2 3.39Å
369Q94.9Very high92.5Very high115 Ų11555.3 Ų55.354%0.53728%0.283SS..THydrogen-bonded Turntrans-111.56.4-178.6-61.2-17713.600112.5T365 R367 L371T365-Q369 PolarHBondContact O-N 3.11Å; R367-Q369 PolarHBondContact O-N 3.21Å; Q369-L371 VanDerWaalsContact C-N 3.27Å; Q369-L371 HydrophobicContact CB-CD1 3.57Å; Q369-L371 HydrophobicContact CB-CG 3.62Å; Q369-L371 HydrophobicContact CG-CD1 4.44Å; Q369-L371 WeakPolarHBondContact O-CG 3.47Å; Q369-L371 PolarHBondContact O-N 3.35Å
370D94.7Very high91.1Very high102 Ų10259 Ų5955%0.54530%0.303SS..THydrogen-bonded Turntrans48.548.7-174.4-68-44.8000112.6A324 L366 R367A324-D370 HydrophobicContact CB-CB 4.25Å; A324-D370 VanDerWaalsContact CB-O 3.23Å; A324-D370 WeakPolarHBondContact CB-O 3.33Å; A324-D370 PolarHBondContact N-O 2.88Å; L366-D370 PolarHBondContact O-N 2.72Å; R367-D370 PolarHBondContact O-N 3.12Å
371L96.2Very high89.4Confident29 Ų2961.7 Ų61.715%0.15233%0.327CS..EExtended strand (participates in β ladder)trans-110.4145.1-177.2-59.9175.9000112.2V321 L322 L366 Q369 P397V321-L371 HydrophobicContact CG1-CB 4.04Å; V321-L371 HydrophobicContact CG1-CD1 3.74Å; V321-L371 HydrophobicContact CG1-CD2 3.94Å; V321-L371 HydrophobicContact CG1-CG 4.1Å; L322-L371 CarbonylContact O-C 3.5Å; L322-L371 VanDerWaalsContact O-CA 3.3Å; L322-L371 WeakPolarHBondContact O-CA 3.29Å; L366-L371 WeakPolarHBondContact CB-O 3.49Å; L366-L371 HydrophobicContact CD2-CB 3.89Å; L366-L371 PolarHBondContact O-N 3.13Å; Q369-L371 VanDerWaalsContact C-N 3.27Å; Q369-L371 HydrophobicContact CB-CD1 3.57Å; Q369-L371 HydrophobicContact CB-CG 3.62Å; Q369-L371 HydrophobicContact CG-CD1 4.44Å; Q369-L371 WeakPolarHBondContact O-CG 3.47Å; Q369-L371 PolarHBondContact O-N 3.35Å; L371-P397 WeakPolarHBondContact O-CD 3.44Å
372F96.6Very high87.6Confident29 Ų2966.6 Ų66.613%0.12735%0.346CS..EExtended strand (participates in β ladder)trans-113.4160.6166.4-59.8-20.5000110.6L322 A324 V327 V394 L395 Q396L322-F372 HydrophobicContact CB-CB 4.32Å; L322-F372 PolarHBondContact N-O 2.95Å; L322-F372 PolarHBondContact O-N 3.39Å; A324-F372 HydrophobicContact CB-CD1 4.24Å; A324-F372 HydrophobicContact CB-CD2 4.41Å; A324-F372 HydrophobicContact CB-CE1 3.69Å; A324-F372 HydrophobicContact CB-CE2 3.9Å; A324-F372 HydrophobicContact CB-CZ 3.5Å; V327-F372 HydrophobicContact CB-CD2 4.18Å; V327-F372 HydrophobicContact CB-CE2 4.34Å; V327-F372 HydrophobicContact CG2-CD2 3.89Å; F372-V394 HydrophobicContact CB-CG1 4Å; F372-V394 HydrophobicContact CD2-CG1 4Å; F372-V394 HydrophobicContact CG-CG1 4.21Å; F372-L395 WeakPolarHBondContact CA-O 3.49Å; F372-Q396 HydrophobicContact CD1-CB 3.9Å; F372-Q396 HydrophobicContact CD1-CG 3.87Å; F372-Q396 HydrophobicContact CD2-CG 4.02Å; F372-Q396 HydrophobicContact CE1-CB 3.78Å; F372-Q396 HydrophobicContact CE1-CG 3.86Å; F372-Q396 HydrophobicContact CE2-CG 4Å; F372-Q396 VanDerWaalsContact CE2-NE2 3.34Å; F372-Q396 HydrophobicContact CG-CB 4.48Å; F372-Q396 HydrophobicContact CG-CG 3.97Å; F372-Q396 HydrophobicContact CZ-CB 4.24Å; F372-Q396 HydrophobicContact CZ-CG 3.92Å
373L96.6Very high85.7Confident9 Ų969.5 Ų69.55%0.04736%0.364CS..EExtended strand (participates in β ladder)trans-110.9131.9172.8-57.9178.6000110.9L257 V318 V321 L362 L366 L375 V394 L395L257-L373 HydrophobicContact CD2-CD1 4.44Å; V318-L373 HydrophobicContact CG1-CB 4.38Å; V318-L373 HydrophobicContact CG1-CD2 4.08Å; V318-L373 HydrophobicContact CG2-CB 4.48Å; V318-L373 HydrophobicContact CG2-CD1 3.91Å; V321-L373 HydrophobicContact CB-CD2 4.44Å; V321-L373 HydrophobicContact CG2-CD2 3.84Å; L362-L373 HydrophobicContact CD1-CD1 4.02Å; L366-L373 HydrophobicContact CD1-CD1 3.94Å; L366-L373 HydrophobicContact CD1-CG 3.98Å; L366-L373 HydrophobicContact CD2-CD1 4.19Å; L366-L373 HydrophobicContact CD2-CD2 3.75Å; L366-L373 HydrophobicContact CD2-CG 3.69Å; L366-L373 HydrophobicContact CG-CG 4.48Å; L373-L375 HydrophobicContact CB-CD2 4.47Å; L373-V394 CarbonylContact O-C 3.56Å; L373-V394 WeakPolarHBondContact O-CA 3.29Å; L373-L395 HydrophobicContact CB-CB 4.18Å; L373-L395 HydrophobicContact CD1-CD2 4.37Å; L373-L395 PolarHBondContact N-O 2.84Å; L373-L395 PolarHBondContact O-N 3.43Å
374L95.1Very high83.6Confident33 Ų3374.1 Ų74.117%0.17339%0.391CS..EExtended strand (participates in β ladder)trans-88.3122.4166.9-172.564.1000109I319 K320 L322 H392 V394 V408I319-L374 HydrophobicContact CD1-CD2 3.72Å; I319-L374 HydrophobicContact CD1-CG 3.89Å; I319-L374 HydrophobicContact CG1-CB 4.16Å; I319-L374 HydrophobicContact CG1-CD2 4.01Å; I319-L374 HydrophobicContact CG1-CG 3.85Å; I319-L374 VanDerWaalsContact CG1-O 3.29Å; I319-L374 WeakPolarHBondContact CG1-O 3.44Å; I319-L374 PolarHBondContact N-O 2.83Å; K320-L374 HydrophobicContact CB-CB 4.08Å; K320-L374 HydrophobicContact CB-CD2 4.31Å; K320-L374 PolarHBondContact N-O 3.47Å; K320-L374 PolarHBondContact O-N 3.19Å; L322-L374 HydrophobicContact CD1-CB 3.98Å; L322-L374 HydrophobicContact CG-CB 4.22Å; L374-H392 HydrophobicContact CD1-CB 4.38Å; L374-V394 HydrophobicContact CD1-CG2 4.18Å; L374-V408 HydrophobicContact CD1-CG2 4.31Å
375L93.6Very high81.5Confident0 Ų076.2 Ų76.20%041%0.412CS..EExtended strand (participates in β ladder)trans-111150.2-177.1-57.2173.5000110.5L255 L316 R317 V318 L373 H392 Y393 L395 L405L255-L375 HydrophobicContact CD2-CD1 3.94Å; L255-L375 HydrophobicContact CD2-CD2 4.34Å; L316-L375 HydrophobicContact CB-CB 4.35Å; L316-L375 HydrophobicContact CB-CD1 4.29Å; L316-L375 HydrophobicContact CD1-CD1 3.88Å; R317-L375 CarbonylContact O-C 3.6Å; R317-L375 WeakPolarHBondContact O-CA 3.16Å; V318-L375 HydrophobicContact CB-CD2 4.25Å; V318-L375 HydrophobicContact CG2-CD2 3.49Å; V318-L375 VanDerWaalsContact CG2-CD2 3.49Å; L373-L375 HydrophobicContact CB-CD2 4.47Å; L375-H392 VanDerWaalsContact O-CA 3.29Å; L375-H392 WeakPolarHBondContact O-CA 3.47Å; L375-Y393 PolarHBondContact N-O 2.88Å; L375-Y393 PolarHBondContact O-N 3.48Å; L375-L395 HydrophobicContact CD1-CB 3.83Å; L375-L395 HydrophobicContact CD1-CD1 4.37Å; L375-L395 HydrophobicContact CD1-CD2 4.22Å; L375-L395 HydrophobicContact CD1-CG 4.38Å; L375-L395 HydrophobicContact CG-CB 4.31Å; L375-L405 HydrophobicContact CD1-CD1 3.54Å
376R89.8Confident79.4Confident108 Ų10877 Ų7741%0.40843%0.433SS..EExtended strand (participates in β ladder)trans-128.4139.3169.8176.9-179.7-73.3-179.4-2.9109.5L316 R317 I319 E378 H392L316-R376 WeakPolarHBondContact CA-O 3.42Å; R317-R376 PolarHBondContact N-O 2.89Å; R317-R376 PolarHBondContact O-N 2.88Å; I319-R376 HydrophobicContact CD1-CB 4.3Å; I319-R376 HydrophobicContact CG2-CB 3.88Å; R376-E378 PolarHBondContact O-N 2.81Å; R376-H392 PolarHBondContact NE-NE2 2.91Å; R376-H392 VanDerWaalsContact NE-NE2 3.13Å; R376-H392 PolarHBondContact NH2-NE2 3.34Å; R376-H392 VanDerWaalsContact NH2-NE2 3.12Å
377V86.3Confident77.1Confident36 Ų3681.9 Ų81.922%0.21846%0.464CS..EExtended strand (participates in β ladder)trans-65.7128.6171.1-171.80000109.9Q314 L316 S391 Y393Q314-V377 HydrophobicContact CG-CG1 4.32Å; L316-V377 HydrophobicContact CD2-CB 4.2Å; L316-V377 HydrophobicContact CD2-CG2 3.61Å; V377-S391 PolarHBondContact N-O 3.39Å; V377-Y393 HydrophobicContact CG2-CD2 4.29Å; V377-Y393 HydrophobicContact CG2-CE2 3.55Å
378E80.9Confident75.3Confident58 Ų5879.2 Ų79.227%0.27147%0.472SS..PPolyproline II helixtrans-66.5130.1169.5-68.6-160145.200109.6L256 R315 R317 R376 D380L256-E378 HydrophobicContact CD1-CG 4.16Å; L256-E378 WeakPolarHBondContact CD1-OE1 3.23Å; L256-E378 WeakPolarHBondContact CD1-OE2 3.37Å; R315-E378 HydrophobicContact CB-CB 4.18Å; R315-E378 HydrophobicContact CB-CG 4.16Å; R315-E378 IonicContact CZ-OE2 3.21Å; R315-E378 IonicContact NE-OE2 3.35Å; R315-E378 PolarHBondContact NE-OE2 2.82Å; R315-E378 IonicContact NH1-OE2 3.18Å; R315-E378 PolarHBondContact NH1-OE2 2.79Å; R315-E378 IonicContact NH2-OE2 3.86Å; R315-E378 PolarHBondContact O-N 3.42Å; R317-E378 HydrophobicContact CB-CG 4.2Å; R376-E378 PolarHBondContact O-N 2.81Å; E378-D380 PolarHBondContact O-N 3.32Å
379P69Low73.6Confident104 Ų10478 Ų7868%0.67547%0.47SS*.PPolyproline II helixtrans-62.913717726.5-32.5000109.5
380D65.2Low72Confident77 Ų7775.4 Ų75.441%0.41246%0.463SS..PPolyproline II helixtrans-59.4126.2169.7-176.9-18.2000108.1E378 L382 V383E378-D380 PolarHBondContact O-N 3.32Å; D380-L382 PolarHBondContact O-N 2.95Å; D380-L382 WeakPolarHBondContact OD1-CB 3.43Å; D380-L382 PolarHBondContact OD1-N 3.1Å; D380-V383 HydrophobicContact CB-CB 4.44Å; D380-V383 HydrophobicContact CB-CG2 3.91Å; D380-V383 PolarHBondContact O-N 2.77Å
381P59.5Low71.3Confident130 Ų13072.9 Ų72.984%0.84445%0.454SS*.THydrogen-bonded Turntrans-58.1-17.9179.223.5-34.8000113.5V383P381-V383 VanDerWaalsContact C-N 3.34Å
382L57.6Low71Confident155 Ų15573.1 Ų73.181%0.81245%0.454SS*.THydrogen-bonded Turntrans-81.3-11.4175.2-61.2171.7000113.5D380D380-L382 PolarHBondContact O-N 2.95Å; D380-L382 WeakPolarHBondContact OD1-CB 3.43Å; D380-L382 PolarHBondContact OD1-N 3.1Å
383V55.3Low70.8Confident80 Ų8072.5 Ų72.549%0.48545%0.451SS..SBendtrans-98129.4179.6178.50000109.6D380 P381D380-V383 HydrophobicContact CB-CB 4.44Å; D380-V383 HydrophobicContact CB-CG2 3.91Å; D380-V383 PolarHBondContact O-N 2.77Å; P381-V383 VanDerWaalsContact C-N 3.34Å
384V50.9Low70.7Confident101 Ų10172.2 Ų72.261%0.61245%0.449SS*.PPolyproline II helixtrans-56.2123.6-178.7-177.40000110.3G386 T387V384-G386 PolarHBondContact O-N 2.88Å; V384-T387 PolarHBondContact O-OG1 3.28Å
385P50.1Low70.7Confident123 Ų12370.7 Ų70.780%0.79944%0.441SS*.THydrogen-bonded Turntrans-54.7125.1178.1-22.830.9000111.1
386G52.1Low70.8Confident84 Ų8471.6 Ų71.687%0.86645%0.446SS*.THydrogen-bonded Turntrans998.2170.900000117.2V384V384-G386 PolarHBondContact O-N 2.88Å
387T46.3Very low71Confident109 Ų10967.8 Ų67.867%0.66944%0.435SS*.SBendtrans-106.65-178.350.90000115.4V384V384-T387 PolarHBondContact O-OG1 3.28Å
388G55.7Low71.2Confident61 Ų6167.7 Ų67.763%0.62944%0.436SS*.SBendtrans-129.8146.7-177.500000113.9C390G388-C390 PolarHBondContact O-N 3.14Å
389V58.8Low71.3Confident96 Ų9669.8 Ų69.858%0.58245%0.454SS*.  trans-58122.1164.2156.80000108.8S391 E412V389-S391 PolarHBondContact O-N 2.91Å; V389-E412 HydrophobicContact CG1-CG 4.1Å; V389-E412 WeakPolarHBondContact CG1-OE1 3.4Å; V389-E412 HydrophobicContact CG2-CG 3.8Å
390C61.7Low71.8Confident60 Ų6068.7 Ų68.741%0.40545%0.449SS..  trans-74.3113.3175.6-71.40000109.9G388 H392G388-C390 PolarHBondContact O-N 3.14Å; C390-H392 PolarHBondContact O-CE1 3.35Å; C390-H392 PolarHBondContact O-N 3.21Å; C390-H392 PolarHBondContact O-ND1 3.33Å
391S80.8Confident72.8Confident49 Ų4967.3 Ų67.334%0.34344%0.444SS..  trans-71.6126.4171.3-54.30000110.5V377 V389V377-S391 PolarHBondContact N-O 3.39Å; V389-S391 PolarHBondContact O-N 2.91Å
392H89Confident74.3Confident34 Ų3461.4 Ų61.416%0.15741%0.405CS..EExtended strand (participates in β ladder)trans-113.7148.9176-63.783.1000109.7L374 L375 R376 C390 V408L374-H392 HydrophobicContact CD1-CB 4.38Å; L375-H392 VanDerWaalsContact O-CA 3.29Å; L375-H392 WeakPolarHBondContact O-CA 3.47Å; R376-H392 PolarHBondContact NE-NE2 2.91Å; R376-H392 VanDerWaalsContact NE-NE2 3.13Å; R376-H392 PolarHBondContact NH2-NE2 3.34Å; R376-H392 VanDerWaalsContact NH2-NE2 3.12Å; C390-H392 PolarHBondContact O-CE1 3.35Å; C390-H392 PolarHBondContact O-N 3.21Å; C390-H392 PolarHBondContact O-ND1 3.33Å; H392-V408 HydrophobicContact CB-CB 4.18Å; H392-V408 PolarHBondContact O-N 3.44Å
393Y92.3Very high76.1Confident15 Ų1554 Ų546%0.05937%0.367CS..EExtended strand (participates in β ladder)trans-134.8149.9178.5-57.9-83.7000110.7F299 L316 L375 V377 L405 K406 P407F299-Y393 AromaticContact CD1-CE1 3.93Å; F299-Y393 HydrophobicContact CD1-CE1 3.93Å; F299-Y393 AromaticContact CD1-CZ 3.86Å; F299-Y393 AromaticContact CE1-CD1 3.87Å; F299-Y393 HydrophobicContact CE1-CD1 3.87Å; F299-Y393 AromaticContact CE1-CE1 3.18Å; F299-Y393 HydrophobicContact CE1-CE1 3.18Å; F299-Y393 AromaticContact CE1-CZ 3.6Å; F299-Y393 AromaticContact CZ-CE1 3.95Å; F299-Y393 HydrophobicContact CZ-CE1 3.95Å; L316-Y393 HydrophobicContact CD1-CD2 4.34Å; L316-Y393 HydrophobicContact CD2-CD2 3.81Å; L316-Y393 HydrophobicContact CD2-CE2 4.01Å; L375-Y393 PolarHBondContact N-O 2.88Å; L375-Y393 PolarHBondContact O-N 3.48Å; V377-Y393 HydrophobicContact CG2-CD2 4.29Å; V377-Y393 HydrophobicContact CG2-CE2 3.55Å; Y393-L405 HydrophobicContact CD1-CD1 4.48Å; Y393-L405 HydrophobicContact CD1-CD2 4.48Å; Y393-L405 HydrophobicContact CD1-CG 4.25Å; Y393-L405 HydrophobicContact CG-CD1 4.09Å; Y393-L405 HydrophobicContact CG-CG 4.34Å; Y393-K406 CarbonylContact C-O 3.54Å; Y393-K406 VanDerWaalsContact CA-O 3.24Å; Y393-K406 WeakPolarHBondContact CA-O 3.42Å; Y393-P407 HydrophobicContact CD1-CB 4.29Å; Y393-P407 HydrophobicContact CD1-CG 4.44Å; Y393-P407 HydrophobicContact CE1-CB 4.13Å; Y393-P407 HydrophobicContact CE1-CG 4.21Å
394V95.1Very high77.9Confident3 Ų352.4 Ų52.42%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-103.9133.6167.5166.30000108.3L322 L332 F372 L373 L374 Q396 K406 V408L322-V394 HydrophobicContact CD1-CG2 4.19Å; L332-V394 HydrophobicContact CD2-CB 4.29Å; L332-V394 HydrophobicContact CD2-CG2 4.23Å; F372-V394 HydrophobicContact CB-CG1 4Å; F372-V394 HydrophobicContact CD2-CG1 4Å; F372-V394 HydrophobicContact CG-CG1 4.21Å; L373-V394 CarbonylContact O-C 3.56Å; L373-V394 WeakPolarHBondContact O-CA 3.29Å; L374-V394 HydrophobicContact CD1-CG2 4.18Å; V394-Q396 HydrophobicContact CG1-CG 3.69Å; V394-K406 PolarHBondContact N-O 2.82Å; V394-K406 PolarHBondContact O-N 3.38Å; V394-V408 HydrophobicContact CB-CG2 4.06Å; V394-V408 HydrophobicContact CG2-CG2 3.46Å; V394-V408 VanDerWaalsContact CG2-CG2 3.46Å
395L95.9Very high79.9Confident1 Ų147.6 Ų47.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-109.2117.2175.4-164.968.5000109L255 I339 F372 L373 L375 L403 L404 L405L255-L395 HydrophobicContact CD1-CD2 3.84Å; L255-L395 HydrophobicContact CD2-CD2 4.23Å; I339-L395 HydrophobicContact CG1-CD1 4.05Å; F372-L395 WeakPolarHBondContact CA-O 3.49Å; L373-L395 HydrophobicContact CB-CB 4.18Å; L373-L395 HydrophobicContact CD1-CD2 4.37Å; L373-L395 PolarHBondContact N-O 2.84Å; L373-L395 PolarHBondContact O-N 3.43Å; L375-L395 HydrophobicContact CD1-CB 3.83Å; L375-L395 HydrophobicContact CD1-CD1 4.37Å; L375-L395 HydrophobicContact CD1-CD2 4.22Å; L375-L395 HydrophobicContact CD1-CG 4.38Å; L375-L395 HydrophobicContact CG-CB 4.31Å; L395-L403 HydrophobicContact CD1-CB 3.6Å; L395-L403 HydrophobicContact CD1-CD1 4.32Å; L395-L403 HydrophobicContact CD2-CB 4.34Å; L395-L403 HydrophobicContact CD2-CD1 3.55Å; L395-L403 HydrophobicContact CD2-CG 4.43Å; L395-L403 HydrophobicContact CG-CB 3.83Å; L395-L403 HydrophobicContact CG-CD1 4Å; L395-L403 HydrophobicContact CG-CG 4.36Å; L395-L404 WeakPolarHBondContact CA-O 3.48Å; L395-L405 HydrophobicContact CD1-CB 4.24Å; L395-L405 HydrophobicContact CD1-CD1 3.95Å
396Q94.8Very high81.9Confident20 Ų2043.2 Ų43.29%0.09329%0.294CS..EExtended strand (participates in β ladder)trans-112.4134.9-176.1-51.7-179.9-37.100109.9F372 V394 L403 L404F372-Q396 HydrophobicContact CD1-CB 3.9Å; F372-Q396 HydrophobicContact CD1-CG 3.87Å; F372-Q396 HydrophobicContact CD2-CG 4.02Å; F372-Q396 HydrophobicContact CE1-CB 3.78Å; F372-Q396 HydrophobicContact CE1-CG 3.86Å; F372-Q396 HydrophobicContact CE2-CG 4Å; F372-Q396 VanDerWaalsContact CE2-NE2 3.34Å; F372-Q396 HydrophobicContact CG-CB 4.48Å; F372-Q396 HydrophobicContact CG-CG 3.97Å; F372-Q396 HydrophobicContact CZ-CB 4.24Å; F372-Q396 HydrophobicContact CZ-CG 3.92Å; V394-Q396 HydrophobicContact CG1-CG 3.69Å; Q396-L403 CarbonylContact O-C 3.55Å; Q396-L403 VanDerWaalsContact O-CA 3.3Å; Q396-L403 WeakPolarHBondContact O-CA 3.3Å; Q396-L404 HydrophobicContact CB-CB 4.28Å; Q396-L404 PolarHBondContact N-O 3.08Å; Q396-L404 PolarHBondContact O-N 2.84Å
397P94.3Very high83.7Confident28 Ų2839.2 Ų39.218%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-72141.8173.831.9-35.2000111.7L366 R367 L371 L403L366-P397 HydrophobicContact CB-CB 3.97Å; L366-P397 HydrophobicContact CB-CG 3.77Å; R367-P397 HydrophobicContact CB-CB 4.15Å; R367-P397 HydrophobicContact CB-CG 4.27Å; L371-P397 WeakPolarHBondContact O-CD 3.44Å; P397-L403 HydrophobicContact CB-CD2 4.13Å
398S89Confident85.8Confident33 Ų3335 Ų3523%0.23123%0.227CC..EExtended strand (participates in β ladder)trans-102.7152.4172.8170.60000111.1S400 S402S398-S400 PolarHBondContact O-N 2.79Å; S398-S400 VanDerWaalsContact O-N 3.15Å; S398-S400 PolarHBondContact OG-N 2.89Å; S398-S400 PolarHBondContact OG-OG 2.96Å; S398-S402 VanDerWaalsContact CB-O 3.27Å; S398-S402 WeakPolarHBondContact CB-O 3.16Å; S398-S402 WeakPolarHBondContact CB-OG 3.42Å; S398-S402 PolarHBondContact N-O 3.46Å
399P83.3Confident87.2Confident102 Ų10233 Ų3366%0.66221%0.205SC*.THydrogen-bonded Turntrans-56.1-26.3169.8-25.234.7000114.2R367 V401R367-P399 PolarHBondContact NH1-O 3.37Å; P399-V401 VanDerWaalsContact C-N 3.35Å; P399-V401 PolarHBondContact O-N 3.2Å
400S79.8Confident88.4Confident82 Ų8229.1 Ų29.157%0.57318%0.181SC*.THydrogen-bonded Turntrans-94.236.7-173.965.60000114.1S398 S402S398-S400 PolarHBondContact O-N 2.79Å; S398-S400 VanDerWaalsContact O-N 3.15Å; S398-S400 PolarHBondContact OG-N 2.89Å; S398-S400 PolarHBondContact OG-OG 2.96Å; S400-S402 VanDerWaalsContact C-N 3.29Å; S400-S402 PolarHBondContact O-N 3.44Å; S400-S402 PolarHBondContact O-OG 2.95Å; S400-S402 PolarHBondContact OG-OG 2.74Å; S400-S402 VanDerWaalsContact OG-OG 3.05Å
401V85.7Confident89.5Confident48 Ų4837 Ų3729%0.29120%0.203SC..THydrogen-bonded Turntrans42.354.2-177.4-162.30000113.2H360 C363 P399H360-V401 WeakPolarHBondContact CE1-CG1 3.37Å; H360-V401 WeakPolarHBondContact ND1-CG1 3.4Å; C363-V401 HydrophobicContact CB-CG1 4.19Å; P399-V401 VanDerWaalsContact C-N 3.35Å; P399-V401 PolarHBondContact O-N 3.2Å
402S92.6Very high89.5Confident5 Ų539.5 Ų39.54%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-143.4166.517646.60000107.8I339 S398 S400I339-S402 WeakPolarHBondContact O-CB 3.42Å; S398-S402 VanDerWaalsContact CB-O 3.27Å; S398-S402 WeakPolarHBondContact CB-O 3.16Å; S398-S402 WeakPolarHBondContact CB-OG 3.42Å; S398-S402 PolarHBondContact N-O 3.46Å; S400-S402 VanDerWaalsContact C-N 3.29Å; S400-S402 PolarHBondContact O-N 3.44Å; S400-S402 PolarHBondContact O-OG 2.95Å; S400-S402 PolarHBondContact OG-OG 2.74Å; S400-S402 VanDerWaalsContact OG-OG 3.05Å
403L94.9Very high89.2Confident1 Ų142.3 Ų42.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-116.3148176-54.1169.4000109.2L255 I339 F359 L362 C363 L366 L395 Q396 P397L255-L403 HydrophobicContact CD1-CD1 4.29Å; I339-L403 HydrophobicContact CB-CB 4.13Å; I339-L403 PolarHBondContact N-O 3.38Å; I339-L403 PolarHBondContact O-N 3.43Å; F359-L403 HydrophobicContact CE1-CG 4.5Å; F359-L403 HydrophobicContact CE2-CD1 3.76Å; F359-L403 HydrophobicContact CE2-CG 4.2Å; F359-L403 HydrophobicContact CZ-CB 4.43Å; F359-L403 HydrophobicContact CZ-CD1 3.87Å; F359-L403 HydrophobicContact CZ-CG 3.78Å; L362-L403 HydrophobicContact CD2-CD1 3.96Å; L362-L403 HydrophobicContact CG-CD1 4.46Å; C363-L403 HydrophobicContact CB-CD2 4.37Å; C363-L403 VanDerWaalsContact SG-CD2 3.5Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å; L395-L403 HydrophobicContact CD1-CB 3.6Å; L395-L403 HydrophobicContact CD1-CD1 4.32Å; L395-L403 HydrophobicContact CD2-CB 4.34Å; L395-L403 HydrophobicContact CD2-CD1 3.55Å; L395-L403 HydrophobicContact CD2-CG 4.43Å; L395-L403 HydrophobicContact CG-CB 3.83Å; L395-L403 HydrophobicContact CG-CD1 4Å; L395-L403 HydrophobicContact CG-CG 4.36Å; Q396-L403 CarbonylContact O-C 3.55Å; Q396-L403 VanDerWaalsContact O-CA 3.3Å; Q396-L403 WeakPolarHBondContact O-CA 3.3Å; P397-L403 HydrophobicContact CB-CD2 4.13Å
404L93.8Very high88.8Confident45 Ų4545.9 Ų45.924%0.23624%0.244CC..EExtended strand (participates in β ladder)trans-107.2118.3176.9-161.768.9000108.5P336 L337 V338 L395 Q396P336-L404 HydrophobicContact CB-CD1 3.73Å; P336-L404 HydrophobicContact CB-CD2 3.97Å; P336-L404 HydrophobicContact CB-CG 3.81Å; L337-L404 WeakPolarHBondContact O-CA 3.45Å; V338-L404 HydrophobicContact CG2-CD1 4.17Å; L395-L404 WeakPolarHBondContact CA-O 3.48Å; Q396-L404 HydrophobicContact CB-CB 4.28Å; Q396-L404 PolarHBondContact N-O 3.08Å; Q396-L404 PolarHBondContact O-N 2.84Å
405L92.7Very high88.2Confident0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-95.7122.4177-172.274.9000109.3M273 F299 L316 L337 I339 L375 Y393 L395M273-L405 HydrophobicContact CE-CD2 3.71Å; F299-L405 HydrophobicContact CD1-CD2 4.21Å; F299-L405 HydrophobicContact CE1-CD2 3.94Å; L316-L405 HydrophobicContact CD1-CD1 3.98Å; L316-L405 HydrophobicContact CD1-CD2 4.09Å; L337-L405 HydrophobicContact CB-CB 4.46Å; L337-L405 PolarHBondContact N-O 2.95Å; L337-L405 PolarHBondContact O-N 2.85Å; I339-L405 HydrophobicContact CD1-CB 3.9Å; I339-L405 HydrophobicContact CD1-CD2 4.15Å; I339-L405 HydrophobicContact CG1-CB 3.8Å; L375-L405 HydrophobicContact CD1-CD1 3.54Å; Y393-L405 HydrophobicContact CD1-CD1 4.48Å; Y393-L405 HydrophobicContact CD1-CD2 4.48Å; Y393-L405 HydrophobicContact CD1-CG 4.25Å; Y393-L405 HydrophobicContact CG-CD1 4.09Å; Y393-L405 HydrophobicContact CG-CG 4.34Å; L395-L405 HydrophobicContact CD1-CB 4.24Å; L395-L405 HydrophobicContact CD1-CD1 3.95Å
406K91.8Very high87.5Confident31 Ų3159.5 Ų59.514%0.13532%0.323CS..EExtended strand (participates in β ladder)trans-124.2132.5177.8-70.7-176.9174.6-173.70111.1E329 L332 P336 Y393 V394E329-K406 VanDerWaalsContact CD-NZ 3.26Å; E329-K406 IonicContact OE1-NZ 3.88Å; E329-K406 PolarHBondContact OE1-NZ 2.85Å; E329-K406 IonicContact OE2-NZ 3.88Å; E329-K406 PolarHBondContact OE2-NZ 2.66Å; L332-K406 HydrophobicContact CB-CD 4.46Å; L332-K406 HydrophobicContact CD1-CB 4.44Å; L332-K406 HydrophobicContact CD1-CD 3.63Å; P336-K406 HydrophobicContact CB-CG 4.06Å; Y393-K406 CarbonylContact C-O 3.54Å; Y393-K406 VanDerWaalsContact CA-O 3.24Å; Y393-K406 WeakPolarHBondContact CA-O 3.42Å; V394-K406 PolarHBondContact N-O 2.82Å; V394-K406 PolarHBondContact O-N 3.38Å
407P89.2Confident86.4Confident0 Ų063.3 Ų63.30%035%0.351CS..EExtended strand (participates in β ladder)trans-57.8143.3168.5-17.325.6000112.2T293 F299 L332 Y333 Y393T293-P407 HydrophobicContact CG2-CB 4.25Å; T293-P407 HydrophobicContact CG2-CG 3.96Å; F299-P407 HydrophobicContact CZ-CG 4.37Å; L332-P407 WeakPolarHBondContact CA-O 3.3Å; Y333-P407 HydrophobicContact CD1-CB 3.96Å; Y333-P407 HydrophobicContact CD2-CB 4.31Å; Y333-P407 HydrophobicContact CE1-CB 3.61Å; Y333-P407 HydrophobicContact CE2-CB 4Å; Y333-P407 HydrophobicContact CG-CB 4.29Å; Y333-P407 PolarHBondContact N-O 3.47Å; Y333-P407 WeakPolarHBondContact O-CB 3.24Å; Y333-P407 WeakPolarHBondContact O-CD 3.27Å; Y333-P407 WeakPolarHBondContact O-CG 3.23Å; Y393-P407 HydrophobicContact CD1-CB 4.29Å; Y393-P407 HydrophobicContact CD1-CG 4.44Å; Y393-P407 HydrophobicContact CE1-CB 4.13Å; Y393-P407 HydrophobicContact CE1-CG 4.21Å
408V89.8Confident85.2Confident22 Ų2267.8 Ų67.813%0.13338%0.383CS..EExtended strand (participates in β ladder)trans-114.3130.7175.3-176.10000109.6V331 L332 L374 H392 V394 S410V331-V408 CarbonylContact O-C 3.58Å; V331-V408 WeakPolarHBondContact O-CA 3.06Å; L332-V408 HydrophobicContact CD2-CG2 3.85Å; L374-V408 HydrophobicContact CD1-CG2 4.31Å; H392-V408 HydrophobicContact CB-CB 4.18Å; H392-V408 PolarHBondContact O-N 3.44Å; V394-V408 HydrophobicContact CB-CG2 4.06Å; V394-V408 HydrophobicContact CG2-CG2 3.46Å; V394-V408 VanDerWaalsContact CG2-CG2 3.46Å; V408-S410 PolarHBondContact O-N 3.43Å; V408-S410 VanDerWaalsContact O-N 3.13Å
409A86.9Confident84.3Confident18 Ų1872.9 Ų72.915%0.14941%0.407CS..  trans-63.2112.8172.700000109.5V331 Y333 L413 L414V331-A409 WeakPolarHBondContact O-CB 3.21Å; V331-A409 PolarHBondContact O-N 2.89Å; Y333-A409 HydrophobicContact CD1-CB 4.26Å; Y333-A409 HydrophobicContact CE1-CB 4.47Å; A409-L413 HydrophobicContact CB-CB 4.31Å; A409-L414 HydrophobicContact CB-CD2 3.8Å; A409-L414 HydrophobicContact CB-CG 4.3Å
410S83.7Confident83.7Confident14 Ų1473.6 Ų73.610%0.09841%0.412CS..  trans-76167.7170.850.80000110.8V408 E412 L413 L414V408-S410 PolarHBondContact O-N 3.43Å; V408-S410 VanDerWaalsContact O-N 3.13Å; S410-E412 WeakPolarHBondContact CB-OE1 3.19Å; S410-E412 WeakPolarHBondContact CB-OE2 3.37Å; S410-E412 PolarHBondContact O-N 3.22Å; S410-E412 VanDerWaalsContact O-N 3.08Å; S410-E412 WeakPolarHBondContact OG-CG 3.29Å; S410-E412 PolarHBondContact OG-OE1 2.85Å; S410-L413 PolarHBondContact O-N 2.65Å; S410-L414 PolarHBondContact O-N 3.4Å
411R83.5Confident83.1Confident227 Ų22775.5 Ų75.586%0.85742%0.42SS*.G310 helixtrans-50.5-39.1-174.6176-179.5169.3-178.6-2.7113L413 L414R411-L413 VanDerWaalsContact C-N 3.26Å; R411-L413 PolarHBondContact O-N 2.89Å; R411-L414 PolarHBondContact O-N 3.46Å
412E81.9Confident82Confident100 Ų10077.7 Ų77.747%0.46744%0.437SS..G310 helixtrans-68.8-18.9-179.855.4-87.7-162.700114.4V389 S410V389-E412 HydrophobicContact CG1-CG 4.1Å; V389-E412 WeakPolarHBondContact CG1-OE1 3.4Å; V389-E412 HydrophobicContact CG2-CG 3.8Å; S410-E412 WeakPolarHBondContact CB-OE1 3.19Å; S410-E412 WeakPolarHBondContact CB-OE2 3.37Å; S410-E412 PolarHBondContact O-N 3.22Å; S410-E412 VanDerWaalsContact O-N 3.08Å; S410-E412 WeakPolarHBondContact OG-CG 3.29Å; S410-E412 PolarHBondContact OG-OE1 2.85Å
413L82.7Confident80.7Confident94 Ų9484.5 Ų84.549%0.49247%0.473SS..G310 helixtrans-96.4-13.8175.5-61.6178.1000112.4Y333 A409 S410 R411Y333-L413 HydrophobicContact CE1-CD1 4.06Å; A409-L413 HydrophobicContact CB-CB 4.31Å; S410-L413 PolarHBondContact O-N 2.65Å; R411-L413 VanDerWaalsContact C-N 3.26Å; R411-L413 PolarHBondContact O-N 2.89Å
414L83.3Confident79.4Confident89 Ų8992.3 Ų92.347%0.46651%0.51SS..PPolyproline II helixtrans-84.5125.8-178.9-66.1175000110.8V331 A409 S410 R411V331-L414 HydrophobicContact CG1-CD2 4.45Å; A409-L414 HydrophobicContact CB-CD2 3.8Å; A409-L414 HydrophobicContact CB-CG 4.3Å; S410-L414 PolarHBondContact O-N 3.4Å; R411-L414 PolarHBondContact O-N 3.46Å
415L82.7Confident78.3Confident156 Ų15697.5 Ų97.582%0.81754%0.537SS*.PPolyproline II helixtrans-86.9148.5170.6-64.8175.5000110.4C417L415-C417 PolarHBondContact O-N 2.95Å
416P81Confident77.4Confident134 Ų134101.1 Ų101.187%0.8756%0.561SS**PPolyproline II helixtrans-58.2126172.5-20.932.1000110.7
417C71.7Confident76.8Confident100 Ų100102.9 Ų102.968%0.67658%0.577SS**  trans-131.7112.4177.2-170.20000109L415 L419L415-C417 PolarHBondContact O-N 2.95Å; C417-L419 VanDerWaalsContact SG-CD1 3.59Å; C417-L419 VanDerWaalsContact SG-CG 3.58Å
418S68.9Low76.2Confident122 Ų122107.3 Ų107.385%0.85361%0.606SS**  trans-107.371.5175.751.70000109.4
419L70.4Confident75.7Confident141 Ų141112.1 Ų112.174%0.73863%0.631SS**  trans-83.1123.8169.2-70.9166.8000108.5C417 V421C417-L419 VanDerWaalsContact SG-CD1 3.59Å; C417-L419 VanDerWaalsContact SG-CG 3.58Å; L419-V421 PolarHBondContact O-N 2.75Å
420P70.9Confident75.3Confident117 Ų117113.1 Ų113.176%0.7664%0.64SS**  trans-63.9131.1173.626.4-31.4000109S422P420-S422 PolarHBondContact O-N 3.44Å
421V67.4Low74.9Confident122 Ų122117 Ų11774%0.73966%0.657SS**  trans-65.1109.6168.7-178.20000106.7L419 N423L419-V421 PolarHBondContact O-N 2.75Å; V421-N423 PolarHBondContact O-N 3.41Å; V421-N423 VanDerWaalsContact O-N 3.09Å
422S61.7Low74.6Confident94 Ų94111.4 Ų111.466%0.65764%0.644SS**  trans-71.3104.6175.6-177.70000108.6P420 Q424P420-S422 PolarHBondContact O-N 3.44Å; S422-Q424 PolarHBondContact O-N 3.23Å
423N64.9Low74.3Confident147 Ų147111.4 Ų111.479%0.78666%0.656SS**  trans-859.3170.7-64.3-28.8000112.2V421V421-N423 PolarHBondContact O-N 3.41Å; V421-N423 VanDerWaalsContact O-N 3.09Å
424Q69.1Low73.9Confident166 Ų166113.8 Ų113.878%0.77667%0.667SS**PPolyproline II helixtrans-87.1118.2176-69.8-173.6300109.3S422S422-Q424 PolarHBondContact O-N 3.23Å
425D69.6Low72.7Confident153 Ų153119.5 Ų119.582%0.81869%0.691SS**PPolyproline II helixtrans-58.8135.8166.9-73.9-41.4000109.3S427D425-S427 PolarHBondContact O-N 3.37Å
426P73.9Confident72.2Confident77 Ų77117.7 Ų117.750%0.569%0.685SS.*PPolyproline II helixtrans-58.8140.4176.325.2-33000109.4M431P426-M431 HydrophobicContact CB-CG 4.09Å; P426-M431 HydrophobicContact CB-SD 4.03Å; P426-M431 HydrophobicContact CG-CE 4.34Å; P426-M431 HydrophobicContact CG-CG 3.84Å; P426-M431 HydrophobicContact CG-SD 3.51Å; P426-M431 VanDerWaalsContact CG-SD 3.51Å
427S80.3Confident71.7Confident67 Ų67116.8 Ų116.847%0.46968%0.675SS.*PPolyproline II helixtrans-55.8137.3-177.976.90000110.4D425 N429 A430 M431D425-S427 PolarHBondContact O-N 3.37Å; S427-N429 PolarHBondContact O-N 3.02Å; S427-N429 VanDerWaalsContact O-N 3.13Å; S427-A430 WeakPolarHBondContact O-CA 3.44Å; S427-A430 WeakPolarHBondContact O-CB 3.18Å; S427-A430 PolarHBondContact O-N 2.88Å; S427-A430 VanDerWaalsContact OG-CB 3.25Å; S427-A430 WeakPolarHBondContact OG-CB 3.47Å; S427-A430 PolarHBondContact OG-N 2.76Å; S427-M431 PolarHBondContact O-N 2.96Å
428P76.3Confident71.7Confident93 Ų93117.7 Ų117.760%0.60468%0.675SS**Hα-helixtrans-59.7-29.8-177.120.2-31.1000112.3M431 N432P428-M431 PolarHBondContact O-N 3.03Å; P428-N432 WeakPolarHBondContact O-CB 3.17Å; P428-N432 VanDerWaalsContact O-CG 3.25Å; P428-N432 PolarHBondContact O-N 2.95Å; P428-N432 PolarHBondContact O-ND2 3.23Å
429N78.2Confident71.9Confident123 Ų123117.5 Ų117.566%0.65867%0.665SS**Hα-helixtrans-67.1-37.7174.2-67.2-15.9000112.6S427 S433S427-N429 PolarHBondContact O-N 3.02Å; S427-N429 VanDerWaalsContact O-N 3.13Å; N429-S433 PolarHBondContact O-N 3.35Å; N429-S433 PolarHBondContact O-OG 3.31Å
430A78.8Confident71.9Confident40 Ų40116 Ų11633%0.33166%0.66SS.*Hα-helixtrans-69.6-39.4174.800000111.2S427 S433 I434S427-A430 WeakPolarHBondContact O-CA 3.44Å; S427-A430 WeakPolarHBondContact O-CB 3.18Å; S427-A430 PolarHBondContact O-N 2.88Å; S427-A430 VanDerWaalsContact OG-CB 3.25Å; S427-A430 WeakPolarHBondContact OG-CB 3.47Å; S427-A430 PolarHBondContact OG-N 2.76Å; A430-S433 PolarHBondContact O-N 3.46Å; A430-S433 VanDerWaalsContact O-N 3.16Å; A430-I434 WeakPolarHBondContact O-CG1 3.23Å; A430-I434 PolarHBondContact O-N 3.19Å
431M75.1Confident72Confident95 Ų95115.9 Ų115.947%0.46865%0.654SS.*Hα-helixtrans-60.8-45.2175.1-68.9-69-82.700111.6P426 S427 P428 S433 I434 Q435P426-M431 HydrophobicContact CB-CG 4.09Å; P426-M431 HydrophobicContact CB-SD 4.03Å; P426-M431 HydrophobicContact CG-CE 4.34Å; P426-M431 HydrophobicContact CG-CG 3.84Å; P426-M431 HydrophobicContact CG-SD 3.51Å; P426-M431 VanDerWaalsContact CG-SD 3.51Å; S427-M431 PolarHBondContact O-N 2.96Å; P428-M431 PolarHBondContact O-N 3.03Å; M431-S433 PolarHBondContact O-N 2.72Å; M431-I434 PolarHBondContact O-N 2.75Å; M431-Q435 PolarHBondContact O-N 3.18Å
432N76.8Confident72.3Confident109 Ų109115.5 Ų115.558%0.58365%0.648SS**Hα-helixtrans-69.1-16.5177.1-69.1-12.4000114P428P428-N432 WeakPolarHBondContact O-CB 3.17Å; P428-N432 VanDerWaalsContact O-CG 3.25Å; P428-N432 PolarHBondContact O-N 2.95Å; P428-N432 PolarHBondContact O-ND2 3.23Å
433S76Confident73.2Confident101 Ų101117.2 Ų117.271%0.70665%0.647SS**Hα-helixtrans-89-13.9177-56.50000112.8N429 A430 M431N429-S433 PolarHBondContact O-N 3.35Å; N429-S433 PolarHBondContact O-OG 3.31Å; A430-S433 PolarHBondContact O-N 3.46Å; A430-S433 VanDerWaalsContact O-N 3.16Å; M431-S433 PolarHBondContact O-N 2.72Å
434I75.7Confident73.8Confident144 Ų144114.7 Ų114.774%0.73864%0.635SS**Hα-helixtrans-100.8-24.7-178.3-65.5169.4000111.3A430 M431A430-I434 WeakPolarHBondContact O-CG1 3.23Å; A430-I434 PolarHBondContact O-N 3.19Å; M431-I434 PolarHBondContact O-N 2.75Å
435Q56.5Low74.3Confident208 Ų208110 Ų11097%0.97262%0.622SS**  trans-790169.3-69.8-175.7-31.400111.3M431M431-Q435 PolarHBondContact O-N 3.18Å

Retrieved 435 of 435 residues in 79.2 ms (Link to these results)