X6R507_HUMAN Loading...

Cilia and flagella associated protein 70

AlphaFold DB , UniProt , Accession X6R507, Species HUMAN (Homo sapiens, Human), Gene CFAP70, Length 361 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
1M37.6Very low62.1Low242 Ų242103.3 Ų103.3100%1.19257%0.567SS**  0112.60-77.4173.7-177.800105.6Q3M1-Q3 PolarHBondContact O-N 2.8Å
2E33Very low65.1Low191 Ų191100.3 Ų100.389%0.89355%0.546SS*.  trans-58.1121.2173.9-75.2170.414100108.1V4E2-V4 PolarHBondContact O-N 3.11Å; E2-V4 VanDerWaalsContact O-N 3.1Å
3Q38Very low67.7Low183 Ų18392.6 Ų92.686%0.85550%0.504SS*.  trans-65.6107.2167.8-86.3173.3-24.500106.7M1M1-Q3 PolarHBondContact O-N 2.8Å
4V40.2Very low69.9Low126 Ų12687.9 Ų87.976%0.76448%0.48SS*.  trans-62.2125.6166.1-178.30000106.1E2 S6E2-V4 PolarHBondContact O-N 3.11Å; E2-V4 VanDerWaalsContact O-N 3.1Å; V4-S6 PolarHBondContact O-N 3.47Å
5P46.7Very low71.8Confident99 Ų9982.1 Ų82.164%0.64345%0.448SS*.  trans-55.7128.1175.8-18.429000108.3A7P5-A7 PolarHBondContact O-N 2.92Å
6S56.4Low73.4Confident43 Ų4378.6 Ų78.630%0.30143%0.43SS..  trans-54110.9172.6160.90000108.4V4 G8V4-S6 PolarHBondContact O-N 3.47Å; S6-G8 PolarHBondContact O-N 3.12Å
7A67.9Low74.8Confident85 Ų8576.8 Ų76.870%0.70242%0.418SS*.PPolyproline II helixtrans-53.5132.3170.400000108.6P5P5-A7 PolarHBondContact O-N 2.92Å
8G80.3Confident76Confident20 Ų2072.5 Ų72.521%0.20639%0.394CS..PPolyproline II helixtrans-64148.6-178.300000111S6 E65 F66S6-G8 PolarHBondContact O-N 3.12Å; G8-E65 WeakPolarHBondContact CA-OE1 3.4Å; G8-E65 PolarHBondContact N-OE1 2.94Å; G8-F66 CarbonylContact C-O 3.28Å; G8-F66 VanDerWaalsContact CA-O 3.24Å; G8-F66 WeakPolarHBondContact CA-O 3.29Å
9R90.8Very high76.9Confident63 Ų6372.2 Ų72.224%0.23839%0.388CS..EExtended strand (participates in β ladder)trans-99.1126.2-177.1-74.1176-75.6-175.7-2.7109.3V11 F66 P156 L157R9-V11 PolarHBondContact O-N 3.46Å; R9-F66 PolarHBondContact N-O 3.32Å; R9-F66 VanDerWaalsContact NH2-CE1 3.27Å; R9-F66 WeakPolarHBondContact O-CB 3.42Å; R9-F66 PolarHBondContact O-N 3.46Å; R9-P156 PolarHBondContact NH1-O 3.21Å; R9-L157 HydrophobicContact CB-CD2 4.11Å; R9-L157 PolarHBondContact NH1-O 2.95Å; R9-L157 PolarHBondContact NH2-O 3.08Å
10L95.2Very high77.6Confident84 Ų8470.8 Ų70.844%0.4438%0.38SS..EExtended strand (participates in β ladder)trans-76.1119.2-178.1-165.771.8000110.6Q12L10-Q12 HydrophobicContact CD2-CG 3.93Å; L10-Q12 HydrophobicContact CG-CG 4.14Å
11V97.1Very high78.1Confident0 Ų067.5 Ų67.50%036%0.362CS..EExtended strand (participates in β ladder)trans-93.1118.1169.1-175.60000107.9R9 S63 F64 F66 L114 V151 V153 L157R9-V11 PolarHBondContact O-N 3.46Å; V11-S63 WeakPolarHBondContact O-CA 3.49Å; V11-S63 WeakPolarHBondContact O-CB 3.47Å; V11-F64 HydrophobicContact CB-CD2 4.16Å; V11-F64 HydrophobicContact CB-CE1 4.21Å; V11-F64 HydrophobicContact CB-CE2 3.72Å; V11-F64 HydrophobicContact CB-CZ 3.75Å; V11-F64 HydrophobicContact CG1-CE1 4.16Å; V11-F64 HydrophobicContact CG1-CE2 4.29Å; V11-F64 HydrophobicContact CG1-CZ 3.81Å; V11-F64 HydrophobicContact CG2-CD2 4.24Å; V11-F64 HydrophobicContact CG2-CE2 3.59Å; V11-F64 HydrophobicContact CG2-CZ 3.96Å; V11-F64 PolarHBondContact N-O 3.45Å; V11-F64 PolarHBondContact O-N 3.42Å; V11-F64 VanDerWaalsContact O-N 3.11Å; V11-F66 HydrophobicContact CG2-CB 3.98Å; V11-L114 HydrophobicContact CG1-CD1 3.84Å; V11-L114 HydrophobicContact CG2-CD1 4.46Å; V11-V151 HydrophobicContact CG1-CG1 4.1Å; V11-V153 HydrophobicContact CB-CG1 4.01Å; V11-V153 HydrophobicContact CG1-CG1 4.18Å; V11-V153 HydrophobicContact CG2-CG1 3.61Å; V11-L157 HydrophobicContact CG2-CD1 4.43Å
12Q98.1Very high80.3Confident68 Ų6861.2 Ų61.232%0.31833%0.328SS..EExtended strand (participates in β ladder)trans-104.7127.3179.6-61.8-174.7-5100110.2L10 T61 V151 L152L10-Q12 HydrophobicContact CD2-CG 3.93Å; L10-Q12 HydrophobicContact CG-CG 4.14Å; Q12-T61 HydrophobicContact CB-CG2 4.26Å; Q12-V151 CarbonylContact O-C 3.53Å; Q12-V151 VanDerWaalsContact O-CA 3.29Å; Q12-V151 WeakPolarHBondContact O-CA 3.48Å; Q12-L152 HydrophobicContact CB-CB 4.45Å; Q12-L152 PolarHBondContact N-O 2.8Å; Q12-L152 PolarHBondContact O-N 3.41Å
13I98.3Very high82.3Confident0 Ų052.9 Ų52.90%029%0.294CS..EExtended strand (participates in β ladder)trans-114.3116.8174.6-59.1120.5000107.9L42 T61 S62 F64 V82 V149 V151I13-L42 HydrophobicContact CD1-CD1 4.2Å; I13-T61 CarbonylContact O-C 3.46Å; I13-T61 WeakPolarHBondContact O-CA 3.3Å; I13-S62 PolarHBondContact N-O 3.06Å; I13-S62 PolarHBondContact O-N 3.48Å; I13-F64 HydrophobicContact CD1-CD1 3.97Å; I13-F64 HydrophobicContact CD1-CE1 3.68Å; I13-V82 HydrophobicContact CD1-CG1 4.28Å; I13-V82 HydrophobicContact CD1-CG2 3.9Å; I13-V82 HydrophobicContact CG1-CG2 4.41Å; I13-V149 HydrophobicContact CG2-CG1 3.73Å; I13-V151 HydrophobicContact CG1-CG2 4.27Å
14T98.6Very high84Confident27 Ų2749.8 Ų49.817%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-115.4118.7-179.2-56.50000110.2T16 F60 T61 V149 K150T14-T16 HydrophobicContact CG2-CG2 4.19Å; T14-F60 CarbonylContact C-O 3.33Å; T14-F60 VanDerWaalsContact CA-O 3.26Å; T14-F60 WeakPolarHBondContact CA-O 3.3Å; T14-T61 WeakPolarHBondContact CG2-OG1 3.48Å; T14-T61 WeakPolarHBondContact OG1-CG2 3.36Å; T14-T61 PolarHBondContact OG1-OG1 3.17Å; T14-V149 CarbonylContact O-C 3.56Å; T14-V149 WeakPolarHBondContact O-CA 3.45Å; T14-K150 PolarHBondContact N-O 2.95Å; T14-K150 PolarHBondContact O-N 3.5Å
15V98.3Very high85.1Confident1 Ų151 Ų511%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-88.5111.8167.7-169.20000108.2I33 Y58 N59 F60 L84 L147 E148 V149V15-I33 HydrophobicContact CB-CD1 4.06Å; V15-I33 HydrophobicContact CG1-CD1 3.54Å; V15-I33 HydrophobicContact CG2-CD1 4.3Å; V15-I33 HydrophobicContact CG2-CG2 4.42Å; V15-Y58 HydrophobicContact CG1-CD2 4.42Å; V15-N59 CarbonylContact O-C 3.53Å; V15-N59 WeakPolarHBondContact O-CA 3.47Å; V15-N59 PolarHBondContact O-N 3.25Å; V15-F60 PolarHBondContact N-O 3.05Å; V15-F60 PolarHBondContact O-N 2.92Å; V15-L84 HydrophobicContact CG2-CD1 3.64Å; V15-L84 HydrophobicContact CG2-CD2 3.95Å; V15-L84 HydrophobicContact CG2-CG 4.42Å; V15-L147 HydrophobicContact CG1-CB 4.19Å; V15-L147 HydrophobicContact CG1-CD1 4.46Å; V15-L147 HydrophobicContact CG1-CD2 4.4Å; V15-E148 WeakPolarHBondContact CA-O 3.39Å; V15-V149 HydrophobicContact CG2-CG2 4.35Å
16T97.6Very high86Confident25 Ų2548.3 Ų48.315%0.15326%0.263CS..EExtended strand (participates in β ladder)trans-83.5-60-177.347.20000110T14 Y58 N59 E148T14-T16 HydrophobicContact CG2-CG2 4.19Å; T16-Y58 PolarHBondContact O-N 3.49Å; T16-N59 PolarHBondContact O-N 3.49Å; T16-E148 PolarHBondContact N-O 2.95Å; T16-E148 WeakPolarHBondContact OG1-CB 3.38Å; T16-E148 VanDerWaalsContact OG1-CG 3.3Å; T16-E148 WeakPolarHBondContact OG1-CG 3.4Å; T16-E148 PolarHBondContact OG1-O 3.33Å; T16-E148 PolarHBondContact OG1-OE2 3.02Å
17E97.5Very high86.7Confident48 Ų4852.9 Ų52.922%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-133.2156.3-173.3-57.9-162.3162.500112.1Y19 A56 K57 L147 E148E17-Y19 HydrophobicContact CB-CE1 4.06Å; E17-Y19 HydrophobicContact CB-CE2 4.31Å; E17-Y19 VanDerWaalsContact OE2-CE1 3.26Å; E17-Y19 WeakPolarHBondContact OE2-CE1 3.3Å; E17-Y19 VanDerWaalsContact OE2-CZ 3.3Å; E17-Y19 PolarHBondContact OE2-OH 3.23Å; E17-A56 CarbonylContact C-O 3.58Å; E17-A56 VanDerWaalsContact CA-O 3.25Å; E17-A56 WeakPolarHBondContact CA-O 3.37Å; E17-K57 HydrophobicContact CG-CG 4.27Å; E17-K57 WeakPolarHBondContact OE1-CE 3.3Å; E17-K57 IonicContact OE1-NZ 2.6Å; E17-L147 WeakPolarHBondContact O-CA 3.48Å; E17-E148 HydrophobicContact CB-CB 4.34Å; E17-E148 PolarHBondContact O-N 3.34Å
18G96.1Very high87.7Confident0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-123.4143.3166.800000110.2S55 A56 S146G18-S55 CarbonylContact O-C 3.5Å; G18-S55 WeakPolarHBondContact O-CA 3.48Å; G18-A56 PolarHBondContact N-O 2.96Å; G18-A56 PolarHBondContact O-N 3.33Å; G18-S146 WeakPolarHBondContact CA-O 3.41Å
19Y94.2Very high88.2Confident67 Ų6751.6 Ų51.626%0.26326%0.263SS..EExtended strand (participates in β ladder)trans-124.6147-174.1-56.2-64.3000112.2E17 L21 G54 C145 S146 E148E17-Y19 HydrophobicContact CB-CE1 4.06Å; E17-Y19 HydrophobicContact CB-CE2 4.31Å; E17-Y19 VanDerWaalsContact OE2-CE1 3.26Å; E17-Y19 WeakPolarHBondContact OE2-CE1 3.3Å; E17-Y19 VanDerWaalsContact OE2-CZ 3.3Å; E17-Y19 PolarHBondContact OE2-OH 3.23Å; Y19-L21 PolarHBondContact O-N 2.81Å; Y19-L21 VanDerWaalsContact O-N 3.08Å; Y19-G54 CarbonylContact C-O 3.45Å; Y19-C145 WeakPolarHBondContact O-CA 3.32Å; Y19-S146 PolarHBondContact N-O 2.84Å; Y19-S146 PolarHBondContact O-N 3.41Å; Y19-E148 HydrophobicContact CE2-CB 3.99Å
20D90.6Very high88.3Confident43 Ų4350.9 Ų50.923%0.2327%0.266CS..SBendtrans53.625.3178.5-65.3-69.9000113.8K22 G54 K143 C145D20-K22 PolarHBondContact O-N 3.21Å; D20-G54 PolarHBondContact N-O 2.89Å; D20-K143 HydrophobicContact CB-CB 4.23Å; D20-K143 WeakPolarHBondContact OD1-CD 3.21Å; D20-C145 PolarHBondContact O-SG 3.2Å
21L88.4Confident88.4Confident2 Ų246.9 Ų46.91%0.0125%0.245CC..  trans-67.2129.9-179.4-66.2176.1000110.7Y19 V50 G54 A56 Y58 V86 L127 C145Y19-L21 PolarHBondContact O-N 2.81Å; Y19-L21 VanDerWaalsContact O-N 3.08Å; L21-V50 HydrophobicContact CB-CG1 3.92Å; L21-V50 HydrophobicContact CB-CG2 4.1Å; L21-V50 HydrophobicContact CD1-CG2 4.09Å; L21-G54 PolarHBondContact N-O 3.31Å; L21-G54 WeakPolarHBondContact O-CA 3.5Å; L21-A56 HydrophobicContact CD1-CB 4.02Å; L21-Y58 HydrophobicContact CD1-CE2 4.06Å; L21-Y58 WeakPolarHBondContact CD1-OH 3.49Å; L21-V86 HydrophobicContact CD2-CG1 4.39Å; L21-L127 HydrophobicContact CD2-CD2 3.83Å; L21-C145 HydrophobicContact CD2-CB 4.47Å
22K83.1Confident88.4Confident110 Ų11048 Ų4848%0.47825%0.25SS..  trans-130.5135.5179.7-65.1-176.5-174.7-179.60111D20D20-K22 PolarHBondContact O-N 3.21Å
23G75.4Confident88.4Confident17 Ų1744.8 Ų44.818%0.17524%0.235CC..  trans-86.4167.9179.300000112.6E88G23-E88 WeakPolarHBondContact CA-OE2 3.15Å
24F73.4Confident88.4Confident117 Ų11748.9 Ų48.951%0.51325%0.251SS..SBendtrans-70.4-37.7173.1-176.7-117.6000112.5E88 L102 P134F24-E88 WeakPolarHBondContact CB-OE2 3.21Å; F24-E88 PolarHBondContact N-OE1 2.96Å; F24-E88 PolarHBondContact N-OE2 2.94Å; F24-L102 HydrophobicContact CB-CD2 3.56Å; F24-L102 HydrophobicContact CD1-CD2 4.27Å; F24-L102 HydrophobicContact CD2-CD2 4.19Å; F24-L102 HydrophobicContact CG-CD2 3.77Å; F24-P134 HydrophobicContact CB-CB 4.46Å; F24-P134 HydrophobicContact CB-CG 3.75Å; F24-P134 HydrophobicContact CD2-CB 3.91Å; F24-P134 HydrophobicContact CD2-CG 3.55Å; F24-P134 HydrophobicContact CG-CG 4.04Å
25K63.6Low88.3Confident152 Ų15247.6 Ų47.666%0.66124%0.243SC*.SBendtrans-13265.5-177.2-77.1-176.1178-178.30111.7
26G65.5Low88Confident42 Ų4250.1 Ų50.143%0.43325%0.254SS..  trans139.2169.3166.100000114.3T28G26-T28 VanDerWaalsContact C-N 3.31Å
27D70.4Confident87.7Confident139 Ų13949 Ų4974%0.74325%0.248SC*.SBendtrans-82.9-7.4-176.2-57.7-40.7000113.1
28T88.2Confident87Confident72 Ų7249.4 Ų49.444%0.44225%0.251SS..SBendtrans-136.263-177.150.10000112G26 V50 P52G26-T28 VanDerWaalsContact C-N 3.31Å; T28-V50 WeakPolarHBondContact CA-O 3.45Å; T28-V50 WeakPolarHBondContact CB-O 3.44Å; T28-V50 WeakPolarHBondContact CG2-O 3.46Å; T28-P52 HydrophobicContact CG2-CB 4.41Å; T28-P52 HydrophobicContact CG2-CG 3.91Å
29P90.8Very high86.3Confident6 Ų658.6 Ų58.64%0.03929%0.294CS..  trans-61.6151.1178.728.5-38000112.1T31 V50 E88P29-T31 HydrophobicContact CB-CG2 4.07Å; P29-T31 HydrophobicContact CG-CG2 4.19Å; P29-V50 HydrophobicContact CG-CB 3.88Å; P29-V50 HydrophobicContact CG-CG1 4.47Å; P29-V50 HydrophobicContact CG-CG2 3.8Å; P29-V50 WeakPolarHBondContact O-CB 3.48Å; P29-V50 WeakPolarHBondContact O-CG2 3.35Å; P29-V50 PolarHBondContact O-N 2.86Å; P29-E88 HydrophobicContact CB-CG 3.94Å
30V94.6Very high85.9Confident49 Ų4959.6 Ų59.630%0.29731%0.307SS..EExtended strand (participates in β ladder)trans-91.8123.8166.4179.10000107.6K47 I48 E88 V89V30-K47 HydrophobicContact CG1-CB 3.84Å; V30-I48 WeakPolarHBondContact CA-O 3.41Å; V30-E88 CarbonylContact O-C 3.54Å; V30-E88 WeakPolarHBondContact O-CA 3.3Å; V30-V89 HydrophobicContact CB-CB 4.32Å; V30-V89 HydrophobicContact CG1-CB 4.27Å; V30-V89 HydrophobicContact CG1-CG2 4.47Å; V30-V89 PolarHBondContact O-N 3.47Å
31T95.6Very high86Confident0 Ų061.1 Ų61.10%032%0.318CS..EExtended strand (participates in β ladder)trans-131.4151-170.753.50000111.7P29 K47 I48 V50 Y58 V86 T87 L104P29-T31 HydrophobicContact CB-CG2 4.07Å; P29-T31 HydrophobicContact CG-CG2 4.19Å; T31-K47 CarbonylContact O-C 3.6Å; T31-K47 WeakPolarHBondContact O-CA 3.31Å; T31-I48 PolarHBondContact N-O 3.39Å; T31-I48 PolarHBondContact O-N 3.05Å; T31-I48 PolarHBondContact OG1-O 3.48Å; T31-V50 HydrophobicContact CG2-CG2 3.88Å; T31-V50 WeakPolarHBondContact OG1-CG2 3.29Å; T31-Y58 WeakPolarHBondContact CB-OH 3.43Å; T31-Y58 PolarHBondContact OG1-OH 3.05Å; T31-V86 HydrophobicContact CG2-CG1 4.45Å; T31-T87 CarbonylContact C-O 3.58Å; T31-T87 WeakPolarHBondContact CA-O 3.37Å; T31-L104 HydrophobicContact CG2-CD1 3.83Å
32F97.7Very high86.4Confident23 Ų2363 Ų6310%0.10133%0.327CS..EExtended strand (participates in β ladder)trans-137.8160.1168.171.3-83.9000109.9D44 S45 K47 T87 V89 T101F32-D44 HydrophobicContact CD2-CB 4.33Å; F32-S45 WeakPolarHBondContact CA-OG 3.45Å; F32-K47 HydrophobicContact CB-CG 4.24Å; F32-K47 HydrophobicContact CD1-CG 4.41Å; F32-T87 HydrophobicContact CD1-CG2 4.43Å; F32-T87 HydrophobicContact CE1-CG2 3.55Å; F32-T87 HydrophobicContact CZ-CG2 3.72Å; F32-T87 PolarHBondContact N-O 3.29Å; F32-T87 PolarHBondContact O-N 3.04Å; F32-V89 HydrophobicContact CD1-CG2 3.7Å; F32-V89 HydrophobicContact CE1-CG2 3.91Å; F32-T101 HydrophobicContact CE1-CG2 4.25Å
33I98.1Very high87Confident0 Ų058.8 Ų58.80%032%0.315CS..EExtended strand (participates in β ladder)trans-112.1130.2-178.7-60.9-178.7000108.9V15 D44 S45 Y58 F60 L84 T85 V86 L147V15-I33 HydrophobicContact CB-CD1 4.06Å; V15-I33 HydrophobicContact CG1-CD1 3.54Å; V15-I33 HydrophobicContact CG2-CD1 4.3Å; V15-I33 HydrophobicContact CG2-CG2 4.42Å; I33-D44 CarbonylContact O-C 3.54Å; I33-D44 WeakPolarHBondContact O-CA 3.3Å; I33-S45 PolarHBondContact N-OG 3.44Å; I33-S45 PolarHBondContact O-N 2.96Å; I33-Y58 HydrophobicContact CD1-CD1 3.82Å; I33-Y58 HydrophobicContact CD1-CD2 3.55Å; I33-Y58 HydrophobicContact CD1-CE1 3.87Å; I33-Y58 HydrophobicContact CD1-CE2 3.6Å; I33-Y58 HydrophobicContact CD1-CG 3.63Å; I33-Y58 HydrophobicContact CG1-CD1 3.9Å; I33-Y58 HydrophobicContact CG1-CD2 4.42Å; I33-Y58 HydrophobicContact CG1-CE1 3.67Å; I33-Y58 HydrophobicContact CG1-CE2 4.21Å; I33-Y58 HydrophobicContact CG1-CG 4.25Å; I33-F60 HydrophobicContact CB-CD1 4.41Å; I33-F60 HydrophobicContact CG2-CD1 4.38Å; I33-L84 HydrophobicContact CG2-CB 4.19Å; I33-L84 HydrophobicContact CG2-CD2 4.17Å; I33-T85 WeakPolarHBondContact CA-O 3.5Å; I33-V86 HydrophobicContact CG1-CG2 4.23Å; I33-L147 HydrophobicContact CD1-CD1 4.12Å; I33-L147 HydrophobicContact CD1-CD2 4.01Å
34R97.7Very high88.1Confident87 Ų8761.5 Ų61.533%0.32833%0.326SS..EExtended strand (participates in β ladder)trans-101.5126.1166.1177.9165.3-68.3175-0.6109.5E36 V41 D44 L84 T85R34-E36 WeakPolarHBondContact CD-OE1 3.29Å; R34-E36 HydrophobicContact CG-CG 3.9Å; R34-V41 HydrophobicContact CG-CG1 4.04Å; R34-D44 VanDerWaalsContact CB-OD1 3.26Å; R34-D44 WeakPolarHBondContact CB-OD1 3.38Å; R34-D44 VanDerWaalsContact CG-OD1 3.28Å; R34-D44 WeakPolarHBondContact CG-OD1 3.47Å; R34-D44 IonicContact CZ-OD1 2.67Å; R34-D44 IonicContact CZ-OD2 3.78Å; R34-D44 IonicContact NE-OD1 2.58Å; R34-D44 PolarHBondContact NE-OD1 2.72Å; R34-D44 IonicContact NE-OD2 2.73Å; R34-D44 IonicContact NH2-OD1 2.63Å; R34-D44 PolarHBondContact NH2-OD1 3.49Å; R34-D44 IonicContact NH2-OD2 2.82Å; R34-D44 PolarHBondContact NH2-OD2 2.99Å; R34-L84 WeakPolarHBondContact O-CA 3.46Å; R34-T85 PolarHBondContact N-O 3.44Å; R34-T85 PolarHBondContact O-N 3.39Å
35A97.6Very high89.3Confident0 Ų056.4 Ų56.40%031%0.305CS..EExtended strand (participates in β ladder)trans-97.8131.6172.400000110.3L42 G43 F60 S62 F83 L84A35-L42 HydrophobicContact CB-CB 4.19Å; A35-L42 HydrophobicContact CB-CD1 4.47Å; A35-L42 PolarHBondContact O-N 3.05Å; A35-G43 PolarHBondContact N-O 2.65Å; A35-G43 PolarHBondContact O-N 3.41Å; A35-F60 HydrophobicContact CB-CE1 3.86Å; A35-F60 HydrophobicContact CB-CZ 4.34Å; A35-S62 WeakPolarHBondContact CB-OG 3.49Å; A35-F83 WeakPolarHBondContact CA-O 3.46Å; A35-L84 HydrophobicContact CB-CD2 3.82Å
36E92.8Very high90.9Very high53 Ų5352.4 Ų52.425%0.24830%0.3CS..EExtended strand (participates in β ladder)trans-134.2139.9178.2-54.2-175.8-177.700110.3R34 V40 V41 F83R34-E36 WeakPolarHBondContact CD-OE1 3.29Å; R34-E36 HydrophobicContact CG-CG 3.9Å; E36-V40 VanDerWaalsContact CA-O 3.31Å; E36-V40 WeakPolarHBondContact CA-O 3.32Å; E36-V41 HydrophobicContact CG-CG2 4.14Å; E36-F83 HydrophobicContact CB-CB 4.4Å; E36-F83 PolarHBondContact N-O 3.04Å; E36-F83 PolarHBondContact O-N 2.78Å
37F90.6Very high92.4Very high3 Ų355.3 Ų55.31%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-142.3135.7173.1178.2-100.9000108.9Q39 V40 L42 F64 I72 D76 L77 K80 V82 L111F37-Q39 VanDerWaalsContact C-N 3.26Å; F37-Q39 PolarHBondContact O-N 2.91Å; F37-V40 PolarHBondContact N-O 3.4Å; F37-V40 PolarHBondContact O-N 3.2Å; F37-L42 HydrophobicContact CB-CD1 3.84Å; F37-L42 HydrophobicContact CB-CD2 4.29Å; F37-L42 HydrophobicContact CB-CG 4.22Å; F37-F64 HydrophobicContact CB-CD1 4.27Å; F37-F64 HydrophobicContact CB-CE1 4.35Å; F37-F64 AromaticContact CD1-CD1 3.96Å; F37-F64 HydrophobicContact CD1-CD1 3.96Å; F37-F64 AromaticContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE2 4.49Å; F37-F64 HydrophobicContact CD1-CG 4.26Å; F37-F64 HydrophobicContact CD1-CZ 4.19Å; F37-F64 HydrophobicContact CD2-CE1 4.2Å; F37-F64 HydrophobicContact CE1-CE1 4.26Å; F37-F64 HydrophobicContact CE1-CE2 4.22Å; F37-F64 HydrophobicContact CE1-CZ 4.08Å; F37-F64 HydrophobicContact CE2-CE1 4.5Å; F37-F64 HydrophobicContact CE2-CZ 4.44Å; F37-F64 HydrophobicContact CG-CD1 4.12Å; F37-F64 AromaticContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CZ 4.45Å; F37-F64 HydrophobicContact CZ-CZ 4.2Å; F37-I72 HydrophobicContact CD1-CD1 3.89Å; F37-I72 HydrophobicContact CE1-CB 4.45Å; F37-I72 HydrophobicContact CE1-CD1 3.8Å; F37-I72 HydrophobicContact CE1-CG1 4.04Å; F37-I72 HydrophobicContact CE1-CG2 3.57Å; F37-I72 HydrophobicContact CZ-CG2 4.09Å; F37-D76 HydrophobicContact CZ-CB 4.2Å; F37-L77 HydrophobicContact CZ-CD2 4.06Å; F37-K80 HydrophobicContact CE2-CB 4.06Å; F37-K80 WeakPolarHBondContact CE2-O 3.4Å; F37-K80 HydrophobicContact CZ-CB 4.36Å; F37-V82 HydrophobicContact CB-CG2 4.33Å; F37-V82 HydrophobicContact CD2-CG2 3.64Å; F37-V82 HydrophobicContact CE2-CG2 4.38Å; F37-V82 HydrophobicContact CG-CG2 4.31Å; F37-L111 HydrophobicContact CD2-CD1 4.43Å; F37-L111 HydrophobicContact CE2-CD1 4Å
38N83.4Confident93.6Very high56 Ų5650.6 Ų50.630%0.29928%0.275SS..THydrogen-bonded Turntrans52.542.6179.6-164.321.1000113.4V40 K80N38-V40 PolarHBondContact O-N 3.09Å; N38-V40 VanDerWaalsContact O-N 3.11Å; N38-K80 HydrophobicContact CB-CD 4.14Å; N38-K80 VanDerWaalsContact OD1-CD 3.29Å; N38-K80 WeakPolarHBondContact OD1-CD 3.48Å; N38-K80 WeakPolarHBondContact OD1-CE 3.28Å; N38-K80 PolarHBondContact OD1-NZ 3.09Å
39Q81.6Confident93.9Very high192 Ų19251.4 Ų51.490%0.89728%0.28SS*.THydrogen-bonded Turntrans638.6-176.7-51.4177.16.500115.2F37F37-Q39 VanDerWaalsContact C-N 3.26Å; F37-Q39 PolarHBondContact O-N 2.91Å
40V85.1Confident94.1Very high89 Ų8951.2 Ų51.254%0.53928%0.279SS..EExtended strand (participates in β ladder)trans-104130.3175.6-179.10000109.2E36 F37 N38 L42E36-V40 VanDerWaalsContact CA-O 3.31Å; E36-V40 WeakPolarHBondContact CA-O 3.32Å; F37-V40 PolarHBondContact N-O 3.4Å; F37-V40 PolarHBondContact O-N 3.2Å; N38-V40 PolarHBondContact O-N 3.09Å; N38-V40 VanDerWaalsContact O-N 3.11Å; V40-L42 PolarHBondContact O-N 3.01Å
41V93.1Very high94.1Very high75 Ų7550.1 Ų50.146%0.45527%0.273SS..EExtended strand (participates in β ladder)trans-72.2118.3172.1-179.60000108.8R34 E36R34-V41 HydrophobicContact CG-CG1 4.04Å; E36-V41 HydrophobicContact CG-CG2 4.14Å
42L96Very high93.7Very high41 Ų4154.5 Ų54.522%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-82.6-29.2177.7-55.3-178.1000111.7I13 A35 F37 V40 F64I13-L42 HydrophobicContact CD1-CD1 4.2Å; A35-L42 HydrophobicContact CB-CB 4.19Å; A35-L42 HydrophobicContact CB-CD1 4.47Å; A35-L42 PolarHBondContact O-N 3.05Å; F37-L42 HydrophobicContact CB-CD1 3.84Å; F37-L42 HydrophobicContact CB-CD2 4.29Å; F37-L42 HydrophobicContact CB-CG 4.22Å; V40-L42 PolarHBondContact O-N 3.01Å; L42-F64 HydrophobicContact CD1-CD1 3.98Å; L42-F64 HydrophobicContact CD2-CB 4.05Å; L42-F64 HydrophobicContact CD2-CD1 4.48Å
43G96.5Very high93.3Very high22 Ų2260.2 Ų60.223%0.22733%0.329CS..EExtended strand (participates in β ladder)trans157.4174.2174.400000113.9A35 F60A35-G43 PolarHBondContact N-O 2.65Å; A35-G43 PolarHBondContact O-N 3.41Å; G43-F60 WeakPolarHBondContact O-CZ 3.18Å
44D97.9Very high92.8Very high73 Ų7360.5 Ų60.539%0.3933%0.332SS..EExtended strand (participates in β ladder)trans-115.1140176.1-68.8-22.2000110.4F32 I33 R34 F60F32-D44 HydrophobicContact CD2-CB 4.33Å; I33-D44 CarbonylContact O-C 3.54Å; I33-D44 WeakPolarHBondContact O-CA 3.3Å; R34-D44 VanDerWaalsContact CB-OD1 3.26Å; R34-D44 WeakPolarHBondContact CB-OD1 3.38Å; R34-D44 VanDerWaalsContact CG-OD1 3.28Å; R34-D44 WeakPolarHBondContact CG-OD1 3.47Å; R34-D44 IonicContact CZ-OD1 2.67Å; R34-D44 IonicContact CZ-OD2 3.78Å; R34-D44 IonicContact NE-OD1 2.58Å; R34-D44 PolarHBondContact NE-OD1 2.72Å; R34-D44 IonicContact NE-OD2 2.73Å; R34-D44 IonicContact NH2-OD1 2.63Å; R34-D44 PolarHBondContact NH2-OD1 3.49Å; R34-D44 IonicContact NH2-OD2 2.82Å; R34-D44 PolarHBondContact NH2-OD2 2.99Å; D44-F60 WeakPolarHBondContact O-CE2 3.02Å
45S98.2Very high92.6Very high10 Ų1058.7 Ų58.77%0.0733%0.333CS..PPolyproline II helixtrans-70.2164.4170.780.60000111.5F32 I33 F60F32-S45 WeakPolarHBondContact CA-OG 3.45Å; I33-S45 PolarHBondContact N-OG 3.44Å; I33-S45 PolarHBondContact O-N 2.96Å; S45-F60 VanDerWaalsContact CB-CG 3.44Å
46A97.3Very high92.6Very high69 Ų6959 Ų5957%0.5734%0.335SS*.PPolyproline II helixtrans-58.3153.3160.400000110.5I48A46-I48 HydrophobicContact CB-CD1 4.25Å; A46-I48 PolarHBondContact O-N 2.8Å
47K96.4Very high92.8Very high102 Ų10262.9 Ų62.944%0.44335%0.351SS..PPolyproline II helixtrans-74.2122.7171.1-67.1174.9179.5176.40109.3V30 T31 F32 V89 E99V30-K47 HydrophobicContact CG1-CB 3.84Å; T31-K47 CarbonylContact O-C 3.6Å; T31-K47 WeakPolarHBondContact O-CA 3.31Å; F32-K47 HydrophobicContact CB-CG 4.24Å; F32-K47 HydrophobicContact CD1-CG 4.41Å; K47-V89 HydrophobicContact CD-CG2 4.01Å; K47-V89 HydrophobicContact CG-CG2 4.22Å; K47-E99 IonicContact NZ-OE1 3.52Å; K47-E99 PolarHBondContact NZ-OE1 3.41Å; K47-E99 IonicContact NZ-OE2 2.89Å; K47-E99 PolarHBondContact NZ-OE2 3.25Å
48I96.8Very high93.1Very high40 Ų4063.4 Ų63.421%0.20535%0.353CS..EExtended strand (participates in β ladder)trans-117.7131.5-177.6-54-58.1000109.5V30 T31 A46 V50 A56 Y58V30-I48 WeakPolarHBondContact CA-O 3.41Å; T31-I48 PolarHBondContact N-O 3.39Å; T31-I48 PolarHBondContact O-N 3.05Å; T31-I48 PolarHBondContact OG1-O 3.48Å; A46-I48 HydrophobicContact CB-CD1 4.25Å; A46-I48 PolarHBondContact O-N 2.8Å; I48-V50 PolarHBondContact O-N 3.31Å; I48-A56 HydrophobicContact CG2-CB 4.09Å; I48-Y58 HydrophobicContact CB-CD1 4.27Å; I48-Y58 HydrophobicContact CB-CE1 4.15Å; I48-Y58 HydrophobicContact CG1-CD1 3.72Å; I48-Y58 HydrophobicContact CG1-CE1 4.08Å; I48-Y58 HydrophobicContact CG1-CG 4.47Å
49T95.3Very high93.8Very high90 Ų9066.2 Ų66.255%0.55237%0.368SS*.EExtended strand (participates in β ladder)trans-75.6122.6169.3-53.10000109.1
50V94.1Very high94.6Very high1 Ų158.2 Ų58.21%0.00633%0.33CS..PPolyproline II helixtrans-71.2138.1175-179.80000109.4L21 T28 P29 T31 I48 A56L21-V50 HydrophobicContact CB-CG1 3.92Å; L21-V50 HydrophobicContact CB-CG2 4.1Å; L21-V50 HydrophobicContact CD1-CG2 4.09Å; T28-V50 WeakPolarHBondContact CA-O 3.45Å; T28-V50 WeakPolarHBondContact CB-O 3.44Å; T28-V50 WeakPolarHBondContact CG2-O 3.46Å; P29-V50 HydrophobicContact CG-CB 3.88Å; P29-V50 HydrophobicContact CG-CG1 4.47Å; P29-V50 HydrophobicContact CG-CG2 3.8Å; P29-V50 WeakPolarHBondContact O-CB 3.48Å; P29-V50 WeakPolarHBondContact O-CG2 3.35Å; P29-V50 PolarHBondContact O-N 2.86Å; T31-V50 HydrophobicContact CG2-CG2 3.88Å; T31-V50 WeakPolarHBondContact OG1-CG2 3.29Å; I48-V50 PolarHBondContact O-N 3.31Å; V50-A56 HydrophobicContact CG2-CB 4.13Å
51S93.6Very high95.2Very high26 Ų2657.3 Ų57.318%0.18233%0.325CS..PPolyproline II helixtrans-67.4159.2177.188.60000111.4E53 G54 S55S51-E53 VanDerWaalsContact CB-OE2 3.23Å; S51-E53 WeakPolarHBondContact CB-OE2 3.34Å; S51-E53 PolarHBondContact O-N 3Å; S51-E53 VanDerWaalsContact O-N 3.08Å; S51-E53 PolarHBondContact OG-N 3.21Å; S51-E53 PolarHBondContact OG-OE2 3.36Å; S51-G54 PolarHBondContact O-N 3.37Å; S51-S55 WeakPolarHBondContact CB-O 3.42Å; S51-S55 WeakPolarHBondContact CB-OG 3.27Å; S51-S55 PolarHBondContact N-O 2.89Å; S51-S55 PolarHBondContact OG-N 3Å; S51-S55 PolarHBondContact OG-O 3.45Å; S51-S55 PolarHBondContact OG-OG 3.06Å
52P88.4Confident95.4Very high93 Ų9354 Ų5460%0.60431%0.305SS*.THydrogen-bonded Turntrans-56.7-25175.7-25.135.1000114.1T28 G54T28-P52 HydrophobicContact CG2-CB 4.41Å; T28-P52 HydrophobicContact CG2-CG 3.91Å; P52-G54 VanDerWaalsContact C-N 3.27Å
53E88.1Confident95.5Very high143 Ų14354.5 Ų54.567%0.66831%0.312SS*.THydrogen-bonded Turntrans-82.7-0.4176.3-51.973.2-156.300113S51S51-E53 VanDerWaalsContact CB-OE2 3.23Å; S51-E53 WeakPolarHBondContact CB-OE2 3.34Å; S51-E53 PolarHBondContact O-N 3Å; S51-E53 VanDerWaalsContact O-N 3.08Å; S51-E53 PolarHBondContact OG-N 3.21Å; S51-E53 PolarHBondContact OG-OE2 3.36Å
54G89.4Confident95.4Very high5 Ų554 Ų545%0.05230%0.304CS..SBendtrans84.114.9-179.400000114.6Y19 D20 L21 S51 P52Y19-G54 CarbonylContact C-O 3.45Å; D20-G54 PolarHBondContact N-O 2.89Å; L21-G54 PolarHBondContact N-O 3.31Å; L21-G54 WeakPolarHBondContact O-CA 3.5Å; S51-G54 PolarHBondContact O-N 3.37Å; P52-G54 VanDerWaalsContact C-N 3.27Å
55S93.5Very high95.3Very high50 Ų5056.1 Ų56.135%0.3531%0.311SS..  trans-97.5142.6-179.273.10000112.5G18 S51G18-S55 CarbonylContact O-C 3.5Å; G18-S55 WeakPolarHBondContact O-CA 3.48Å; S51-S55 WeakPolarHBondContact CB-O 3.42Å; S51-S55 WeakPolarHBondContact CB-OG 3.27Å; S51-S55 PolarHBondContact N-O 2.89Å; S51-S55 PolarHBondContact OG-N 3Å; S51-S55 PolarHBondContact OG-O 3.45Å; S51-S55 PolarHBondContact OG-OG 3.06Å
56A96.2Very high95.1Very high5 Ų555.7 Ų55.74%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-141.7136.7174.800000110.9E17 G18 L21 I48 V50 Y58E17-A56 CarbonylContact C-O 3.58Å; E17-A56 VanDerWaalsContact CA-O 3.25Å; E17-A56 WeakPolarHBondContact CA-O 3.37Å; G18-A56 PolarHBondContact N-O 2.96Å; G18-A56 PolarHBondContact O-N 3.33Å; L21-A56 HydrophobicContact CD1-CB 4.02Å; I48-A56 HydrophobicContact CG2-CB 4.09Å; V50-A56 HydrophobicContact CG2-CB 4.13Å; A56-Y58 HydrophobicContact CB-CD2 4.29Å; A56-Y58 HydrophobicContact CB-CE2 3.69Å
57K97.4Very high94.7Very high136 Ų13654.3 Ų54.359%0.59129%0.291SS*.EExtended strand (participates in β ladder)trans-103.6106.3175.6-64-169.5177.9-1610109.3E17E17-K57 HydrophobicContact CG-CG 4.27Å; E17-K57 WeakPolarHBondContact OE1-CE 3.3Å; E17-K57 IonicContact OE1-NZ 2.6Å
58Y97.8Very high94Very high13 Ų1352.5 Ų52.55%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-88.1-43.3-177.6-68.8-82.2000111.9V15 T16 L21 T31 I33 I48 A56 F60 L147V15-Y58 HydrophobicContact CG1-CD2 4.42Å; T16-Y58 PolarHBondContact O-N 3.49Å; L21-Y58 HydrophobicContact CD1-CE2 4.06Å; L21-Y58 WeakPolarHBondContact CD1-OH 3.49Å; T31-Y58 WeakPolarHBondContact CB-OH 3.43Å; T31-Y58 PolarHBondContact OG1-OH 3.05Å; I33-Y58 HydrophobicContact CD1-CD1 3.82Å; I33-Y58 HydrophobicContact CD1-CD2 3.55Å; I33-Y58 HydrophobicContact CD1-CE1 3.87Å; I33-Y58 HydrophobicContact CD1-CE2 3.6Å; I33-Y58 HydrophobicContact CD1-CG 3.63Å; I33-Y58 HydrophobicContact CG1-CD1 3.9Å; I33-Y58 HydrophobicContact CG1-CD2 4.42Å; I33-Y58 HydrophobicContact CG1-CE1 3.67Å; I33-Y58 HydrophobicContact CG1-CE2 4.21Å; I33-Y58 HydrophobicContact CG1-CG 4.25Å; I48-Y58 HydrophobicContact CB-CD1 4.27Å; I48-Y58 HydrophobicContact CB-CE1 4.15Å; I48-Y58 HydrophobicContact CG1-CD1 3.72Å; I48-Y58 HydrophobicContact CG1-CE1 4.08Å; I48-Y58 HydrophobicContact CG1-CG 4.47Å; A56-Y58 HydrophobicContact CB-CD2 4.29Å; A56-Y58 HydrophobicContact CB-CE2 3.69Å; Y58-F60 PolarHBondContact O-N 3.31Å; Y58-F60 VanDerWaalsContact O-N 3.09Å; Y58-L147 HydrophobicContact CE2-CD2 4.43Å
59N97.1Very high93.2Very high116 Ų11656.9 Ų56.962%0.6231%0.309SS*.EExtended strand (participates in β ladder)trans43.640.6-171.8-62.8-46.7000112.4V15 T16V15-N59 CarbonylContact O-C 3.53Å; V15-N59 WeakPolarHBondContact O-CA 3.47Å; V15-N59 PolarHBondContact O-N 3.25Å; T16-N59 PolarHBondContact O-N 3.49Å
60F98.2Very high92.5Very high24 Ų2454.1 Ų54.111%0.10530%0.299CS..EExtended strand (participates in β ladder)trans-96.3117.6-174167.2-122.6000109.4T14 V15 I33 A35 G43 D44 S45 Y58T14-F60 CarbonylContact C-O 3.33Å; T14-F60 VanDerWaalsContact CA-O 3.26Å; T14-F60 WeakPolarHBondContact CA-O 3.3Å; V15-F60 PolarHBondContact N-O 3.05Å; V15-F60 PolarHBondContact O-N 2.92Å; I33-F60 HydrophobicContact CB-CD1 4.41Å; I33-F60 HydrophobicContact CG2-CD1 4.38Å; A35-F60 HydrophobicContact CB-CE1 3.86Å; A35-F60 HydrophobicContact CB-CZ 4.34Å; G43-F60 WeakPolarHBondContact O-CZ 3.18Å; D44-F60 WeakPolarHBondContact O-CE2 3.02Å; S45-F60 VanDerWaalsContact CB-CG 3.44Å; Y58-F60 PolarHBondContact O-N 3.31Å; Y58-F60 VanDerWaalsContact O-N 3.09Å
61T98.3Very high92.1Very high70 Ų7057.5 Ų57.543%0.42933%0.333SS..EExtended strand (participates in β ladder)trans-106.2128.6175.4-56.90000110.2Q12 I13 T14Q12-T61 HydrophobicContact CB-CG2 4.26Å; I13-T61 CarbonylContact O-C 3.46Å; I13-T61 WeakPolarHBondContact O-CA 3.3Å; T14-T61 WeakPolarHBondContact CG2-OG1 3.48Å; T14-T61 WeakPolarHBondContact OG1-CG2 3.36Å; T14-T61 PolarHBondContact OG1-OG1 3.17Å
62S97.6Very high91.9Very high6 Ų657.6 Ų57.64%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-120.6162.416864.30000109.1I13 A35I13-S62 PolarHBondContact N-O 3.06Å; I13-S62 PolarHBondContact O-N 3.48Å; A35-S62 WeakPolarHBondContact CB-OG 3.49Å
63S97.1Very high91.9Very high50 Ų5054.8 Ų54.835%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-154.5156.1-178.857.20000112.8V11V11-S63 WeakPolarHBondContact O-CA 3.49Å; V11-S63 WeakPolarHBondContact O-CB 3.47Å
64F95.6Very high91.9Very high12 Ų1250 Ų505%0.05330%0.295CS..EExtended strand (participates in β ladder)trans-137.6163.7167.363.2-101.8000110.2V11 I13 F37 L42 I72 L77 V82 L111V11-F64 HydrophobicContact CB-CD2 4.16Å; V11-F64 HydrophobicContact CB-CE1 4.21Å; V11-F64 HydrophobicContact CB-CE2 3.72Å; V11-F64 HydrophobicContact CB-CZ 3.75Å; V11-F64 HydrophobicContact CG1-CE1 4.16Å; V11-F64 HydrophobicContact CG1-CE2 4.29Å; V11-F64 HydrophobicContact CG1-CZ 3.81Å; V11-F64 HydrophobicContact CG2-CD2 4.24Å; V11-F64 HydrophobicContact CG2-CE2 3.59Å; V11-F64 HydrophobicContact CG2-CZ 3.96Å; V11-F64 PolarHBondContact N-O 3.45Å; V11-F64 PolarHBondContact O-N 3.42Å; V11-F64 VanDerWaalsContact O-N 3.11Å; I13-F64 HydrophobicContact CD1-CD1 3.97Å; I13-F64 HydrophobicContact CD1-CE1 3.68Å; F37-F64 HydrophobicContact CB-CD1 4.27Å; F37-F64 HydrophobicContact CB-CE1 4.35Å; F37-F64 AromaticContact CD1-CD1 3.96Å; F37-F64 HydrophobicContact CD1-CD1 3.96Å; F37-F64 AromaticContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE2 4.49Å; F37-F64 HydrophobicContact CD1-CG 4.26Å; F37-F64 HydrophobicContact CD1-CZ 4.19Å; F37-F64 HydrophobicContact CD2-CE1 4.2Å; F37-F64 HydrophobicContact CE1-CE1 4.26Å; F37-F64 HydrophobicContact CE1-CE2 4.22Å; F37-F64 HydrophobicContact CE1-CZ 4.08Å; F37-F64 HydrophobicContact CE2-CE1 4.5Å; F37-F64 HydrophobicContact CE2-CZ 4.44Å; F37-F64 HydrophobicContact CG-CD1 4.12Å; F37-F64 AromaticContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CZ 4.45Å; F37-F64 HydrophobicContact CZ-CZ 4.2Å; L42-F64 HydrophobicContact CD1-CD1 3.98Å; L42-F64 HydrophobicContact CD2-CB 4.05Å; L42-F64 HydrophobicContact CD2-CD1 4.48Å; F64-I72 HydrophobicContact CB-CD1 3.75Å; F64-I72 HydrophobicContact CD2-CB 4.43Å; F64-I72 HydrophobicContact CD2-CD1 3.42Å; F64-I72 VanDerWaalsContact CD2-CD1 3.42Å; F64-I72 HydrophobicContact CD2-CG1 4.5Å; F64-I72 HydrophobicContact CD2-CG2 4.04Å; F64-I72 HydrophobicContact CE2-CD1 4.2Å; F64-I72 HydrophobicContact CE2-CG2 3.78Å; F64-I72 HydrophobicContact CG-CD1 3.74Å; F64-L77 HydrophobicContact CE2-CD2 3.82Å; F64-L77 HydrophobicContact CZ-CD2 3.61Å; F64-V82 HydrophobicContact CE1-CG2 4.35Å; F64-L111 HydrophobicContact CE1-CD1 3.97Å; F64-L111 HydrophobicContact CZ-CD1 3.61Å
65E95.1Very high91.6Very high117 Ų11755 Ų5555%0.54732%0.321SS..EExtended strand (participates in β ladder)trans-97.8118.3-178.5-169.9173.3-178.700110.4G8G8-E65 WeakPolarHBondContact CA-OE1 3.4Å; G8-E65 PolarHBondContact N-OE1 2.94Å
66F93.4Very high91.2Very high1 Ų153.6 Ų53.60%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-83.5129.3171171.9-92000109.8G8 R9 V11 P68 I72 T73 L77 L157G8-F66 CarbonylContact C-O 3.28Å; G8-F66 VanDerWaalsContact CA-O 3.24Å; G8-F66 WeakPolarHBondContact CA-O 3.29Å; R9-F66 PolarHBondContact N-O 3.32Å; R9-F66 VanDerWaalsContact NH2-CE1 3.27Å; R9-F66 WeakPolarHBondContact O-CB 3.42Å; R9-F66 PolarHBondContact O-N 3.46Å; V11-F66 HydrophobicContact CG2-CB 3.98Å; F66-P68 HydrophobicContact CE1-CB 4.25Å; F66-P68 HydrophobicContact CE1-CG 4.31Å; F66-P68 HydrophobicContact CZ-CB 4.35Å; F66-I72 WeakPolarHBondContact CD2-O 3.48Å; F66-T73 VanDerWaalsContact CE2-C 3.44Å; F66-L77 HydrophobicContact CD2-CD1 3.42Å; F66-L77 VanDerWaalsContact CD2-CD1 3.42Å; F66-L77 HydrophobicContact CD2-CG 4.08Å; F66-L77 HydrophobicContact CE2-CD1 3.58Å; F66-L77 HydrophobicContact CE2-CG 4.29Å; F66-L77 HydrophobicContact CG-CD1 4.39Å; F66-L157 HydrophobicContact CB-CD2 4.33Å; F66-L157 HydrophobicContact CD1-CD2 3.82Å; F66-L157 HydrophobicContact CD2-CD1 4.21Å; F66-L157 HydrophobicContact CE1-CB 4.49Å; F66-L157 HydrophobicContact CE1-CD2 4.38Å; F66-L157 HydrophobicContact CE2-CD1 4.46Å; F66-L157 HydrophobicContact CG-CD1 4.22Å; F66-L157 HydrophobicContact CG-CD2 4.07Å
67N90.1Very high90.8Very high41 Ų4153.5 Ų53.522%0.21931%0.308CS..  trans-142.2118.6174.2175.8-2.3000110.3E69 G70 I72N67-E69 PolarHBondContact O-N 2.98Å; N67-E69 PolarHBondContact OD1-N 3.1Å; N67-G70 WeakPolarHBondContact CB-O 3.46Å; N67-G70 PolarHBondContact O-N 3.25Å; N67-G70 VanDerWaalsContact O-O 3.12Å; N67-I72 PolarHBondContact N-O 3.03Å
68P80.7Confident90.1Very high63 Ų6348.6 Ų48.641%0.40929%0.293SS..THydrogen-bonded Turntrans-68.6-19.1-177.228.2-33.2000113.5F66F66-P68 HydrophobicContact CE1-CB 4.25Å; F66-P68 HydrophobicContact CE1-CG 4.31Å; F66-P68 HydrophobicContact CZ-CB 4.35Å
69E81.3Confident89Confident133 Ų13352.4 Ų52.462%0.62131%0.311SS*.THydrogen-bonded Turntrans-95.5-5-177.6-63.2178.7-17800113N67N67-E69 PolarHBondContact O-N 2.98Å; N67-E69 PolarHBondContact OD1-N 3.1Å
70G78.8Confident88.3Confident32 Ų3250.5 Ų50.533%0.3330%0.297SS..SBendtrans162.1160.5175.800000113.4N67N67-G70 WeakPolarHBondContact CB-O 3.46Å; N67-G70 PolarHBondContact O-N 3.25Å; N67-G70 VanDerWaalsContact O-O 3.12Å
71G86.7Confident87.6Confident71 Ų7151.2 Ų51.273%0.73230%0.304SS*.SBendtrans88.3-123.1-17300000111
72I89Confident87.2Confident28 Ų2847.9 Ų47.914%0.14428%0.284CS..BIsolated β-bridgetrans-90.2111.2176.3-64.1167.7000108.7F37 F64 F66 N67 D76 L77F37-I72 HydrophobicContact CD1-CD1 3.89Å; F37-I72 HydrophobicContact CE1-CB 4.45Å; F37-I72 HydrophobicContact CE1-CD1 3.8Å; F37-I72 HydrophobicContact CE1-CG1 4.04Å; F37-I72 HydrophobicContact CE1-CG2 3.57Å; F37-I72 HydrophobicContact CZ-CG2 4.09Å; F64-I72 HydrophobicContact CB-CD1 3.75Å; F64-I72 HydrophobicContact CD2-CB 4.43Å; F64-I72 HydrophobicContact CD2-CD1 3.42Å; F64-I72 VanDerWaalsContact CD2-CD1 3.42Å; F64-I72 HydrophobicContact CD2-CG1 4.5Å; F64-I72 HydrophobicContact CD2-CG2 4.04Å; F64-I72 HydrophobicContact CE2-CD1 4.2Å; F64-I72 HydrophobicContact CE2-CG2 3.78Å; F64-I72 HydrophobicContact CG-CD1 3.74Å; F66-I72 WeakPolarHBondContact CD2-O 3.48Å; N67-I72 PolarHBondContact N-O 3.03Å; I72-D76 WeakPolarHBondContact CA-OD2 3.45Å; I72-D76 HydrophobicContact CG2-CB 4.01Å; I72-L77 HydrophobicContact CG2-CD2 4.33Å
73T89.3Confident87Confident34 Ų3451 Ų5121%0.20930%0.297CS..  trans-101.3-178.5-175.172.70000112.3F66 D75 D76 L77F66-T73 VanDerWaalsContact CE2-C 3.44Å; T73-D75 PolarHBondContact O-N 3.32Å; T73-D75 PolarHBondContact OG1-N 3.1Å; T73-D76 PolarHBondContact N-OD2 3.33Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 PolarHBondContact OG1-OD2 3.12Å; T73-L77 PolarHBondContact O-N 3.15Å
74S86.9Confident87Confident43 Ų4348.6 Ų48.630%0.30128%0.28SS..Hα-helixtrans-60.2-32174.347.60000112.5L77 A78S74-L77 PolarHBondContact O-N 3.08Å; S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.36Å
75D82.8Confident86.9Confident109 Ų10948.8 Ų48.858%0.58328%0.282SS*.Hα-helixtrans-71.6-37.2-177.8-62.3-6.1000110.8T73 L77 A78 H79T73-D75 PolarHBondContact O-N 3.32Å; T73-D75 PolarHBondContact OG1-N 3.1Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-A78 PolarHBondContact O-N 3.13Å; D75-H79 PolarHBondContact O-N 3.25Å; D75-H79 VanDerWaalsContact O-N 3.14Å
76D85.2Confident86.9Confident22 Ų2243.2 Ų43.212%0.11826%0.256CS..Hα-helixtrans-62-43.8172.8-66.4-61.5000111F37 I72 T73 A78 H79 K80F37-D76 HydrophobicContact CZ-CB 4.2Å; I72-D76 WeakPolarHBondContact CA-OD2 3.45Å; I72-D76 HydrophobicContact CG2-CB 4.01Å; T73-D76 PolarHBondContact N-OD2 3.33Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 PolarHBondContact OG1-OD2 3.12Å; D76-A78 VanDerWaalsContact C-N 3.33Å; D76-A78 PolarHBondContact O-N 2.96Å; D76-H79 PolarHBondContact O-N 3.22Å; D76-K80 HydrophobicContact CB-CD 4.37Å; D76-K80 WeakPolarHBondContact O-CA 3.46Å; D76-K80 VanDerWaalsContact O-CB 3.23Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 PolarHBondContact O-N 3.05Å; D76-K80 WeakPolarHBondContact OD1-CE 3.48Å; D76-K80 IonicContact OD1-NZ 2.77Å; D76-K80 PolarHBondContact OD1-NZ 2.72Å
77L88.3Confident86.9Confident2 Ų243.7 Ų43.71%0.0126%0.259CS..Hα-helixtrans-66.2-33.7177.1-64-175.8000113F37 F64 F66 I72 T73 S74 D75 L111 L115 L157F37-L77 HydrophobicContact CZ-CD2 4.06Å; F64-L77 HydrophobicContact CE2-CD2 3.82Å; F64-L77 HydrophobicContact CZ-CD2 3.61Å; F66-L77 HydrophobicContact CD2-CD1 3.42Å; F66-L77 VanDerWaalsContact CD2-CD1 3.42Å; F66-L77 HydrophobicContact CD2-CG 4.08Å; F66-L77 HydrophobicContact CE2-CD1 3.58Å; F66-L77 HydrophobicContact CE2-CG 4.29Å; F66-L77 HydrophobicContact CG-CD1 4.39Å; I72-L77 HydrophobicContact CG2-CD2 4.33Å; T73-L77 PolarHBondContact O-N 3.15Å; S74-L77 PolarHBondContact O-N 3.08Å; D75-L77 VanDerWaalsContact C-N 3.34Å; L77-L111 HydrophobicContact CD2-CB 4.3Å; L77-L111 HydrophobicContact CD2-CD1 3.47Å; L77-L111 VanDerWaalsContact CD2-CD1 3.47Å; L77-L115 HydrophobicContact CB-CD1 4.06Å; L77-L115 HydrophobicContact CB-CD2 4.22Å; L77-L115 HydrophobicContact CB-CG 4.28Å; L77-L115 HydrophobicContact CD1-CD2 4.04Å; L77-L157 HydrophobicContact CD1-CD1 3.29Å
78A83.6Confident87Confident33 Ų3341.9 Ų41.927%0.27325%0.25SC..Hα-helixtrans-75.1-26.3-178.300000113.2S74 D75 D76 L115S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.36Å; D75-A78 PolarHBondContact O-N 3.13Å; D76-A78 VanDerWaalsContact C-N 3.33Å; D76-A78 PolarHBondContact O-N 2.96Å; A78-L115 HydrophobicContact CB-CD1 3.7Å
79H74.8Confident87.6Confident94 Ų9439.5 Ų39.544%0.43523%0.234SC..Hα-helixtrans-124.4-13.3-169.6-62.7-27000114.8D75 D76D75-H79 PolarHBondContact O-N 3.25Å; D75-H79 VanDerWaalsContact O-N 3.14Å; D76-H79 PolarHBondContact O-N 3.22Å
80K80.9Confident87.9Confident75 Ų7534.9 Ų34.933%0.32621%0.213SC..  trans-114.1121.5-179.3-58.4176.5-178.6166.70110.2F37 N38 D76F37-K80 HydrophobicContact CE2-CB 4.06Å; F37-K80 WeakPolarHBondContact CE2-O 3.4Å; F37-K80 HydrophobicContact CZ-CB 4.36Å; N38-K80 HydrophobicContact CB-CD 4.14Å; N38-K80 VanDerWaalsContact OD1-CD 3.29Å; N38-K80 WeakPolarHBondContact OD1-CD 3.48Å; N38-K80 WeakPolarHBondContact OD1-CE 3.28Å; N38-K80 PolarHBondContact OD1-NZ 3.09Å; D76-K80 HydrophobicContact CB-CD 4.37Å; D76-K80 WeakPolarHBondContact O-CA 3.46Å; D76-K80 VanDerWaalsContact O-CB 3.23Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 PolarHBondContact O-N 3.05Å; D76-K80 WeakPolarHBondContact OD1-CE 3.48Å; D76-K80 IonicContact OD1-NZ 2.77Å; D76-K80 PolarHBondContact OD1-NZ 2.72Å
81P83.8Confident88.1Confident40 Ų4038.2 Ų38.226%0.2623%0.229SC..PPolyproline II helixtrans-74.6159.1172.727.7-31.1000112F83 V108P81-F83 HydrophobicContact CG-CD2 4.47Å; P81-F83 HydrophobicContact CG-CE1 4.19Å; P81-F83 HydrophobicContact CG-CE2 3.76Å; P81-F83 HydrophobicContact CG-CZ 3.61Å; P81-V108 HydrophobicContact CB-CB 4.43Å; P81-V108 HydrophobicContact CB-CG1 3.35Å; P81-V108 HydrophobicContact CB-CG2 4.47Å; P81-V108 HydrophobicContact CG-CG1 4.18Å
82V91.3Very high87.6Confident0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-83.4129.4159.9177.80000108.2I13 F37 F64 L84 V108 V109 L111I13-V82 HydrophobicContact CD1-CG1 4.28Å; I13-V82 HydrophobicContact CD1-CG2 3.9Å; I13-V82 HydrophobicContact CG1-CG2 4.41Å; F37-V82 HydrophobicContact CB-CG2 4.33Å; F37-V82 HydrophobicContact CD2-CG2 3.64Å; F37-V82 HydrophobicContact CE2-CG2 4.38Å; F37-V82 HydrophobicContact CG-CG2 4.31Å; F64-V82 HydrophobicContact CE1-CG2 4.35Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; V82-V108 WeakPolarHBondContact O-CA 3.5Å; V82-V109 HydrophobicContact CB-CB 4.16Å; V82-V109 PolarHBondContact N-O 3.05Å; V82-V109 VanDerWaalsContact N-O 3.1Å; V82-V109 PolarHBondContact O-N 2.95Å; V82-L111 HydrophobicContact CG2-CD1 3.68Å; V82-L111 HydrophobicContact CG2-CD2 4.12Å; V82-L111 HydrophobicContact CG2-CG 4Å
83F92.8Very high87Confident70 Ų7045.6 Ų45.631%0.30724%0.242SC..EExtended strand (participates in β ladder)trans-98.2132.9175.7-70-76.4000110.7A35 E36 P81 Q106 V108A35-F83 WeakPolarHBondContact CA-O 3.46Å; E36-F83 HydrophobicContact CB-CB 4.4Å; E36-F83 PolarHBondContact N-O 3.04Å; E36-F83 PolarHBondContact O-N 2.78Å; P81-F83 HydrophobicContact CG-CD2 4.47Å; P81-F83 HydrophobicContact CG-CE1 4.19Å; P81-F83 HydrophobicContact CG-CE2 3.76Å; P81-F83 HydrophobicContact CG-CZ 3.61Å; F83-Q106 HydrophobicContact CB-CG 4.43Å; F83-Q106 VanDerWaalsContact CD1-CD 3.45Å; F83-Q106 HydrophobicContact CD1-CG 3.97Å; F83-V108 HydrophobicContact CD1-CG2 3.74Å; F83-V108 HydrophobicContact CE1-CG2 3.65Å
84L95.8Very high85.9Confident0 Ų054.7 Ų54.70%028%0.279CS..EExtended strand (participates in β ladder)trans-118.5107.1173.8-60.7176.7000108.7V15 I33 R34 A35 V82 Q106 A107 V109 L147 V149V15-L84 HydrophobicContact CG2-CD1 3.64Å; V15-L84 HydrophobicContact CG2-CD2 3.95Å; V15-L84 HydrophobicContact CG2-CG 4.42Å; I33-L84 HydrophobicContact CG2-CB 4.19Å; I33-L84 HydrophobicContact CG2-CD2 4.17Å; R34-L84 WeakPolarHBondContact O-CA 3.46Å; A35-L84 HydrophobicContact CB-CD2 3.82Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; L84-Q106 CarbonylContact O-C 3.43Å; L84-Q106 WeakPolarHBondContact O-CA 3.39Å; L84-A107 HydrophobicContact CB-CB 4.35Å; L84-A107 PolarHBondContact N-O 3.42Å; L84-A107 PolarHBondContact O-N 3.16Å; L84-V109 HydrophobicContact CD1-CG2 3.6Å; L84-V109 HydrophobicContact CG-CG2 4.13Å; L84-L147 HydrophobicContact CB-CD1 3.95Å; L84-L147 HydrophobicContact CD1-CD1 4.04Å; L84-V149 HydrophobicContact CD1-CG2 3.58Å
85T93.9Very high84.9Confident16 Ų1662.6 Ų62.610%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-98.2116.9-178.5-57.30000109.7I33 R34 I103 Q106I33-T85 WeakPolarHBondContact CA-O 3.5Å; R34-T85 PolarHBondContact N-O 3.44Å; R34-T85 PolarHBondContact O-N 3.39Å; T85-I103 HydrophobicContact CG2-CD1 4.38Å; T85-I103 HydrophobicContact CG2-CG1 4.36Å; T85-I103 HydrophobicContact CG2-CG2 3.67Å; T85-Q106 PolarHBondContact OG1-NE2 3.28Å
86V95.1Very high84.3Confident0 Ų059.8 Ų59.80%029%0.291CS..EExtended strand (participates in β ladder)trans-90.9122.5176.7-176.20000109L21 T31 I33 L104 G105 L127 L147L21-V86 HydrophobicContact CD2-CG1 4.39Å; T31-V86 HydrophobicContact CG2-CG1 4.45Å; I33-V86 HydrophobicContact CG1-CG2 4.23Å; V86-L104 HydrophobicContact CG1-CB 4.43Å; V86-L104 HydrophobicContact CG1-CD1 4.19Å; V86-L104 PolarHBondContact O-N 2.94Å; V86-G105 PolarHBondContact N-O 3.21Å; V86-G105 PolarHBondContact O-N 3.28Å; V86-L127 HydrophobicContact CB-CD1 4.08Å; V86-L127 HydrophobicContact CB-CD2 4.11Å; V86-L127 HydrophobicContact CG2-CD1 3.47Å; V86-L127 VanDerWaalsContact CG2-CD1 3.47Å; V86-L127 HydrophobicContact CG2-CD2 3.98Å; V86-L127 HydrophobicContact CG2-CG 4.4Å; V86-L147 HydrophobicContact CG2-CD1 3.9Å; V86-L147 HydrophobicContact CG2-CD2 4.1Å; V86-L147 HydrophobicContact CG2-CG 4.41Å
87T93.6Very high83.4Confident11 Ų1168.7 Ų68.77%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-121.7126-176.1-57.50000110.6T31 F32 T101 L102T31-T87 CarbonylContact C-O 3.58Å; T31-T87 WeakPolarHBondContact CA-O 3.37Å; F32-T87 HydrophobicContact CD1-CG2 4.43Å; F32-T87 HydrophobicContact CE1-CG2 3.55Å; F32-T87 HydrophobicContact CZ-CG2 3.72Å; F32-T87 PolarHBondContact N-O 3.29Å; F32-T87 PolarHBondContact O-N 3.04Å; T87-T101 HydrophobicContact CG2-CG2 4.15Å; T87-L102 CarbonylContact C-O 3.53Å; T87-L102 WeakPolarHBondContact CA-O 3.37Å
88E93.2Very high82.8Confident4 Ų476.3 Ų76.32%0.01936%0.364CS..EExtended strand (participates in β ladder)trans-79.9138169.2-178.2179.7-17600110.5G23 F24 P29 V30 L90 T101 L102 L104G23-E88 WeakPolarHBondContact CA-OE2 3.15Å; F24-E88 WeakPolarHBondContact CB-OE2 3.21Å; F24-E88 PolarHBondContact N-OE1 2.96Å; F24-E88 PolarHBondContact N-OE2 2.94Å; P29-E88 HydrophobicContact CB-CG 3.94Å; V30-E88 CarbonylContact O-C 3.54Å; V30-E88 WeakPolarHBondContact O-CA 3.3Å; E88-L90 HydrophobicContact CG-CD2 4.19Å; E88-T101 CarbonylContact O-C 3.54Å; E88-T101 WeakPolarHBondContact O-CA 3.45Å; E88-L102 PolarHBondContact N-O 3.39Å; E88-L102 PolarHBondContact O-N 2.89Å; E88-L104 HydrophobicContact CB-CD1 4.09Å; E88-L104 HydrophobicContact CB-CD2 3.95Å; E88-L104 HydrophobicContact CB-CG 3.92Å
89V92.5Very high82.6Confident12 Ų1278.3 Ų78.37%0.07337%0.368CS..EExtended strand (participates in β ladder)trans-98.5114.4173.4-178.70000108.1V30 F32 K47 E99V30-V89 HydrophobicContact CB-CB 4.32Å; V30-V89 HydrophobicContact CG1-CB 4.27Å; V30-V89 HydrophobicContact CG1-CG2 4.47Å; V30-V89 PolarHBondContact O-N 3.47Å; F32-V89 HydrophobicContact CD1-CG2 3.7Å; F32-V89 HydrophobicContact CE1-CG2 3.91Å; K47-V89 HydrophobicContact CD-CG2 4.01Å; K47-V89 HydrophobicContact CG-CG2 4.22Å; V89-E99 HydrophobicContact CG1-CG 3.58Å; V89-E99 WeakPolarHBondContact CG1-OE1 3.32Å
90L88.6Confident83.2Confident36 Ų3679.3 Ų79.319%0.18837%0.371CS..PPolyproline II helixtrans-79.6144.1-177.9-59.8178.8000110.8E88 K92 K100 L102E88-L90 HydrophobicContact CG-CD2 4.19Å; L90-K92 PolarHBondContact O-N 2.77Å; L90-K100 HydrophobicContact CB-CB 4.22Å; L90-K100 WeakPolarHBondContact CB-O 3.46Å; L90-K100 HydrophobicContact CD1-CB 4.08Å; L90-K100 PolarHBondContact N-O 2.95Å; L90-L102 HydrophobicContact CD1-CB 4.49Å
91P81.6Confident83.7Confident103 Ų10379.6 Ų79.667%0.66938%0.379SS*.PPolyproline II helixtrans-55.9132.6176.6-24.532.9000112.1E93P91-E93 PolarHBondContact O-N 3Å
92K76.9Confident84Confident133 Ų13379.8 Ų79.858%0.57838%0.378SS*.PPolyproline II helixtrans-65.7122.4177.2-72.2-173.1178.1-176.90110.9L90 E99L90-K92 PolarHBondContact O-N 2.77Å; K92-E99 HydrophobicContact CG-CG 4.38Å
93E75.6Confident83.8Confident121 Ų12183.4 Ų83.457%0.56540%0.396SS*.PPolyproline II helixtrans-78.4146.7169.1-68.2177.6170.400110.6P91 K95 Q96P91-E93 PolarHBondContact O-N 3Å; E93-K95 PolarHBondContact O-N 3.37Å; E93-Q96 PolarHBondContact O-N 3.14Å; E93-Q96 PolarHBondContact OE2-NE2 2.99Å
94K66.3Low83.6Confident225 Ų22580.1 Ų80.198%0.97838%0.382SS*.THydrogen-bonded Turntrans-53.6-6.7-173.6-70.5-176.5176.8179.60116.5
95K67.4Low83.1Confident209 Ų20980.1 Ų80.191%0.90938%0.382SS*.THydrogen-bonded Turntrans-118.8-2.9-179.1-72-173.2176.6-178.60115.1E93E93-K95 PolarHBondContact O-N 3.37Å
96Q69.6Low82.9Confident50 Ų5082 Ų8223%0.23439%0.39CS..  trans-95.5131.6-176.2-73.3174.32500111.8E93 K100E93-Q96 PolarHBondContact O-N 3.14Å; E93-Q96 PolarHBondContact OE2-NE2 2.99Å; Q96-K100 VanDerWaalsContact CD-CE 3.49Å; Q96-K100 VanDerWaalsContact OE1-CD 3.22Å; Q96-K100 VanDerWaalsContact OE1-CE 3.25Å
97K66.5Low82.6Confident208 Ų20882 Ų8290%0.90439%0.39SS*.SBendtrans-77.7-33.4174.2-81.4-175.5173.7-178.50112.4
98E74.3Confident82.5Confident162 Ų16284.7 Ų84.776%0.75741%0.405SS*.SBendtrans-108.2150.1-177.3-70.7177.6-17900111.5
99E80.1Confident82.4Confident76 Ų7684.5 Ų84.536%0.35540%0.404SS..  trans-81122.5177.1-164.1173.5-147.900108.9K47 V89 K92K47-E99 IonicContact NZ-OE1 3.52Å; K47-E99 PolarHBondContact NZ-OE1 3.41Å; K47-E99 IonicContact NZ-OE2 2.89Å; K47-E99 PolarHBondContact NZ-OE2 3.25Å; V89-E99 HydrophobicContact CG1-CG 3.58Å; V89-E99 WeakPolarHBondContact CG1-OE1 3.32Å; K92-E99 HydrophobicContact CG-CG 4.38Å
100K88.3Confident82.3Confident115 Ų11587.4 Ų87.450%0.542%0.42SS..  trans-79.3137.6176.6-75-179.3175173.90109.8L90 Q96L90-K100 HydrophobicContact CB-CB 4.22Å; L90-K100 WeakPolarHBondContact CB-O 3.46Å; L90-K100 HydrophobicContact CD1-CB 4.08Å; L90-K100 PolarHBondContact N-O 2.95Å; Q96-K100 VanDerWaalsContact CD-CE 3.49Å; Q96-K100 VanDerWaalsContact OE1-CD 3.22Å; Q96-K100 VanDerWaalsContact OE1-CE 3.25Å
101T90.5Very high82.5Confident80 Ų8085.8 Ų85.849%0.49141%0.411SS..EExtended strand (participates in β ladder)trans-122.2153.9176.555.90000110.6F32 T87 E88F32-T101 HydrophobicContact CE1-CG2 4.25Å; T87-T101 HydrophobicContact CG2-CG2 4.15Å; E88-T101 CarbonylContact O-C 3.54Å; E88-T101 WeakPolarHBondContact O-CA 3.45Å
102L89.6Confident82.8Confident45 Ų4581.5 Ų81.524%0.23638%0.383CS..EExtended strand (participates in β ladder)trans-135.1129.2177.3-17470.5000109.7F24 T87 E88 L90 L104 P134F24-L102 HydrophobicContact CB-CD2 3.56Å; F24-L102 HydrophobicContact CD1-CD2 4.27Å; F24-L102 HydrophobicContact CD2-CD2 4.19Å; F24-L102 HydrophobicContact CG-CD2 3.77Å; T87-L102 CarbonylContact C-O 3.53Å; T87-L102 WeakPolarHBondContact CA-O 3.37Å; E88-L102 PolarHBondContact N-O 3.39Å; E88-L102 PolarHBondContact O-N 2.89Å; L90-L102 HydrophobicContact CD1-CB 4.49Å; L102-L104 PolarHBondContact O-N 2.96Å; L102-P134 HydrophobicContact CD2-CG 3.46Å; L102-P134 VanDerWaalsContact CD2-CG 3.46Å; L102-P134 HydrophobicContact CG-CG 4.44Å
103I88.3Confident83.5Confident76 Ų7676.4 Ų76.439%0.3936%0.363SS..EExtended strand (participates in β ladder)trans-76.8122.1177.8-58174.1000108.5T85 V130T85-I103 HydrophobicContact CG2-CD1 4.38Å; T85-I103 HydrophobicContact CG2-CG1 4.36Å; T85-I103 HydrophobicContact CG2-CG2 3.67Å; I103-V130 HydrophobicContact CB-CG2 3.95Å; I103-V130 HydrophobicContact CG2-CG2 3.48Å; I103-V130 VanDerWaalsContact CG2-CG2 3.48Å
104L87.3Confident84.4Confident1 Ų170.6 Ų70.61%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-82.3-41176.1-64-176.4000110.6T31 V86 E88 L102 S133 P134 L135T31-L104 HydrophobicContact CG2-CD1 3.83Å; V86-L104 HydrophobicContact CG1-CB 4.43Å; V86-L104 HydrophobicContact CG1-CD1 4.19Å; V86-L104 PolarHBondContact O-N 2.94Å; E88-L104 HydrophobicContact CB-CD1 4.09Å; E88-L104 HydrophobicContact CB-CD2 3.95Å; E88-L104 HydrophobicContact CB-CG 3.92Å; L102-L104 PolarHBondContact O-N 2.96Å; L104-S133 WeakPolarHBondContact O-CB 3.37Å; L104-S133 PolarHBondContact O-OG 2.67Å; L104-P134 HydrophobicContact CD2-CG 4.26Å; L104-L135 HydrophobicContact CB-CD1 4.38Å; L104-L135 VanDerWaalsContact O-CD1 3.3Å; L104-L135 WeakPolarHBondContact O-CD1 3.47Å
105G86.6Confident85.5Confident0 Ų060.5 Ų60.50%029%0.293CS..EExtended strand (participates in β ladder)trans175.7-178.9178.200000112.4V86 L127 H128V86-G105 PolarHBondContact N-O 3.21Å; V86-G105 PolarHBondContact O-N 3.28Å; G105-L127 VanDerWaalsContact C-CD1 3.47Å; G105-H128 CarbonylContact C-O 3.5Å; G105-H128 WeakPolarHBondContact CA-O 3.27Å
106Q89.6Confident86.5Confident56 Ų5655.2 Ų55.226%0.26227%0.271SS..EExtended strand (participates in β ladder)trans-131.4135.1-178.8-163.2173.631.500110F83 L84 T85 H128 V130F83-Q106 HydrophobicContact CB-CG 4.43Å; F83-Q106 VanDerWaalsContact CD1-CD 3.45Å; F83-Q106 HydrophobicContact CD1-CG 3.97Å; L84-Q106 CarbonylContact O-C 3.43Å; L84-Q106 WeakPolarHBondContact O-CA 3.39Å; T85-Q106 PolarHBondContact OG1-NE2 3.28Å; Q106-H128 PolarHBondContact N-O 3.25Å; Q106-H128 PolarHBondContact O-N 3.4Å; Q106-V130 HydrophobicContact CB-CG1 3.97Å
107A89.3Confident87.3Confident0 Ų054 Ų540%027%0.272CS..EExtended strand (participates in β ladder)trans-112.1153.8171.800000109.6L84 V125 P126 L127 L147L84-A107 HydrophobicContact CB-CB 4.35Å; L84-A107 PolarHBondContact N-O 3.42Å; L84-A107 PolarHBondContact O-N 3.16Å; A107-V125 HydrophobicContact CB-CB 4.27Å; A107-V125 HydrophobicContact CB-CG2 3.66Å; A107-P126 WeakPolarHBondContact CB-O 3.41Å; A107-L127 HydrophobicContact CB-CD1 4.15Å; A107-L147 HydrophobicContact CB-CD1 4.02Å
108V90Very high88.6Confident66 Ų6648 Ų4840%0.425%0.247SC..EExtended strand (participates in β ladder)trans-120129.7-178.3162.90000108.9P81 V82 F83 V125P81-V108 HydrophobicContact CB-CB 4.43Å; P81-V108 HydrophobicContact CB-CG1 3.35Å; P81-V108 HydrophobicContact CB-CG2 4.47Å; P81-V108 HydrophobicContact CG-CG1 4.18Å; V82-V108 WeakPolarHBondContact O-CA 3.5Å; F83-V108 HydrophobicContact CD1-CG2 3.74Å; F83-V108 HydrophobicContact CE1-CG2 3.65Å; V108-V125 VanDerWaalsContact O-CG1 3.25Å; V108-V125 WeakPolarHBondContact O-CG1 3.49Å
109V92.6Very high89.6Confident0 Ų042.1 Ų42.10%022%0.224CC..EExtended strand (participates in β ladder)trans-109.9121.5174.7-171.10000108.8V82 L84 F121 V125 V149 V151V82-V109 HydrophobicContact CB-CB 4.16Å; V82-V109 PolarHBondContact N-O 3.05Å; V82-V109 VanDerWaalsContact N-O 3.1Å; V82-V109 PolarHBondContact O-N 2.95Å; L84-V109 HydrophobicContact CD1-CG2 3.6Å; L84-V109 HydrophobicContact CG-CG2 4.13Å; V109-F121 HydrophobicContact CG1-CE2 4.43Å; V109-V125 HydrophobicContact CG2-CG1 4.35Å; V109-V125 HydrophobicContact CG2-CG2 4.4Å; V109-V149 HydrophobicContact CG1-CG1 4.2Å; V109-V149 HydrophobicContact CG2-CB 4.32Å; V109-V149 HydrophobicContact CG2-CG1 3.98Å; V109-V149 HydrophobicContact CG2-CG2 4.06Å; V109-V151 HydrophobicContact CG1-CG2 3.96Å
110D89.1Confident90.4Very high74 Ų7441.3 Ų41.340%0.39623%0.226SC..  trans-83.1126.7176.3-172.8-1.3000110L112 F121 K170D110-L112 WeakPolarHBondContact OD1-CB 3.36Å; D110-L112 PolarHBondContact OD1-N 3.22Å; D110-F121 WeakPolarHBondContact O-CZ 3.35Å; D110-K170 IonicContact OD2-NZ 3.6Å
111L92.6Very high90.8Very high1 Ų137 Ų371%0.00521%0.208CC..  trans-96.40.7-179.8-60.3-174.9000113.1F37 F64 L77 V82 P113 L114 F121 V151F37-L111 HydrophobicContact CD2-CD1 4.43Å; F37-L111 HydrophobicContact CE2-CD1 4Å; F64-L111 HydrophobicContact CE1-CD1 3.97Å; F64-L111 HydrophobicContact CZ-CD1 3.61Å; L77-L111 HydrophobicContact CD2-CB 4.3Å; L77-L111 HydrophobicContact CD2-CD1 3.47Å; L77-L111 VanDerWaalsContact CD2-CD1 3.47Å; V82-L111 HydrophobicContact CG2-CD1 3.68Å; V82-L111 HydrophobicContact CG2-CD2 4.12Å; V82-L111 HydrophobicContact CG2-CG 4Å; L111-P113 VanDerWaalsContact C-N 3.29Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.04Å; L111-F121 HydrophobicContact CD2-CZ 4.35Å; L111-V151 HydrophobicContact CD2-CG1 4.04Å; L111-V151 HydrophobicContact CD2-CG2 4.2Å
112L88.8Confident91.1Very high14 Ų1438.8 Ų38.87%0.07321%0.21CC..Hα-helixtrans-50-38.6177.7-162.767.3000114.5D110 L114 L115 E116 L168 K170D110-L112 WeakPolarHBondContact OD1-CB 3.36Å; D110-L112 PolarHBondContact OD1-N 3.22Å; L112-L114 PolarHBondContact O-N 2.94Å; L112-L115 HydrophobicContact CD1-CD1 4.35Å; L112-L115 WeakPolarHBondContact O-CA 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.23Å; L112-E116 PolarHBondContact O-N 3.24Å; L112-L168 HydrophobicContact CD1-CD1 3.86Å; L112-L168 HydrophobicContact CD1-CD2 3.67Å; L112-L168 HydrophobicContact CD1-CG 4.16Å; L112-L168 HydrophobicContact CD2-CD2 4.3Å; L112-L168 HydrophobicContact CG-CD2 3.94Å; L112-K170 HydrophobicContact CD2-CD 3.85Å; L112-K170 HydrophobicContact CD2-CG 4.27Å
113P91.8Very high91.4Very high25 Ų2539.2 Ų39.216%0.16222%0.215CC..Hα-helixtrans-55.6-28177.2-27.936.8000114L111 L115 E116 G117 Q118 F121L111-P113 VanDerWaalsContact C-N 3.29Å; P113-L115 VanDerWaalsContact C-N 3.34Å; P113-E116 PolarHBondContact O-N 3.12Å; P113-G117 PolarHBondContact O-N 3.44Å; P113-Q118 HydrophobicContact CB-CB 4.46Å; P113-Q118 HydrophobicContact CB-CG 4.39Å; P113-Q118 VanDerWaalsContact O-CB 3.22Å; P113-Q118 WeakPolarHBondContact O-CB 3.27Å; P113-Q118 WeakPolarHBondContact O-CG 3.4Å; P113-Q118 PolarHBondContact O-N 3.26Å; P113-F121 HydrophobicContact CB-CD1 3.66Å; P113-F121 HydrophobicContact CB-CE1 3.86Å; P113-F121 HydrophobicContact CB-CG 4.09Å; P113-F121 HydrophobicContact CB-CZ 4.46Å; P113-F121 HydrophobicContact CG-CD1 4.16Å; P113-F121 HydrophobicContact CG-CD2 4.41Å; P113-F121 HydrophobicContact CG-CE1 4.1Å; P113-F121 HydrophobicContact CG-CE2 4.36Å; P113-F121 HydrophobicContact CG-CG 4.31Å; P113-F121 HydrophobicContact CG-CZ 4.19Å
114L93.2Very high91.7Very high0 Ų039.3 Ų39.30%022%0.219CC..Hα-helixtrans-69.5-33.2175.5-56-175.2000112.5V11 L111 L112 E116 G117 Q118 F121 V151 V153 L157V11-L114 HydrophobicContact CG1-CD1 3.84Å; V11-L114 HydrophobicContact CG2-CD1 4.46Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.04Å; L112-L114 PolarHBondContact O-N 2.94Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-G117 PolarHBondContact O-N 2.89Å; L114-Q118 WeakPolarHBondContact CA-O 3.44Å; L114-Q118 VanDerWaalsContact CD2-O 3.32Å; L114-Q118 WeakPolarHBondContact CD2-O 3.39Å; L114-F121 HydrophobicContact CD2-CD1 4.03Å; L114-F121 HydrophobicContact CD2-CE1 3.79Å; L114-F121 HydrophobicContact CG-CE1 3.95Å; L114-V151 HydrophobicContact CD1-CG1 3.97Å; L114-V151 HydrophobicContact CD2-CG1 4.25Å; L114-V151 HydrophobicContact CG-CG1 4.42Å; L114-V153 HydrophobicContact CD1-CG1 4.2Å; L114-V153 HydrophobicContact CD2-CG2 3.96Å; L114-L157 HydrophobicContact CB-CD1 3.77Å; L114-L157 HydrophobicContact CB-CG 4.29Å; L114-L157 HydrophobicContact CD1-CD1 3.93Å; L114-L157 HydrophobicContact CG-CD1 4.49Å
115L90.1Very high91.9Very high13 Ų1339.7 Ų39.77%0.06822%0.221CC..Hα-helixtrans-79-21.8175.6-57.7-176.9000112L77 A78 L112 P113 G117 L158L77-L115 HydrophobicContact CB-CD1 4.06Å; L77-L115 HydrophobicContact CB-CD2 4.22Å; L77-L115 HydrophobicContact CB-CG 4.28Å; L77-L115 HydrophobicContact CD1-CD2 4.04Å; A78-L115 HydrophobicContact CB-CD1 3.7Å; L112-L115 HydrophobicContact CD1-CD1 4.35Å; L112-L115 WeakPolarHBondContact O-CA 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.23Å; P113-L115 VanDerWaalsContact C-N 3.34Å; L115-G117 PolarHBondContact O-N 3.36Å; L115-L158 HydrophobicContact CB-CD1 4.39Å; L115-L158 HydrophobicContact CD2-CD1 4.31Å; L115-L158 WeakPolarHBondContact O-CD1 3.48Å
116E88.3Confident92.1Very high98 Ų9841.9 Ų41.946%0.45824%0.236SC..THydrogen-bonded Turntrans-78.30.2169.9-64.2174.9169.400112.7L112 P113 L114 L168L112-E116 PolarHBondContact O-N 3.24Å; P113-E116 PolarHBondContact O-N 3.12Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-L168 HydrophobicContact CG-CD2 3.77Å
117G87.8Confident92Very high24 Ų2439.5 Ų39.525%0.24723%0.225CC..THydrogen-bonded Turntrans98.24.5175.200000115.2P113 L114 L115P113-G117 PolarHBondContact O-N 3.44Å; L114-G117 PolarHBondContact O-N 2.89Å; L115-G117 PolarHBondContact O-N 3.36Å
118Q92.8Very high91.7Very high83 Ų8343.9 Ų43.939%0.38825%0.245SC..  trans-74.9138.7174.9-53.9-175.232.700110.6P113 L114P113-Q118 HydrophobicContact CB-CB 4.46Å; P113-Q118 HydrophobicContact CB-CG 4.39Å; P113-Q118 VanDerWaalsContact O-CB 3.22Å; P113-Q118 WeakPolarHBondContact O-CB 3.27Å; P113-Q118 WeakPolarHBondContact O-CG 3.4Å; P113-Q118 PolarHBondContact O-N 3.26Å; L114-Q118 WeakPolarHBondContact CA-O 3.44Å; L114-Q118 VanDerWaalsContact CD2-O 3.32Å; L114-Q118 WeakPolarHBondContact CD2-O 3.39Å
119S94.8Very high91.2Very high37 Ų3743.8 Ų43.826%0.25925%0.246SC..SBendtrans-92.7-14.6172.2-48.30000113V153 P156S119-V153 VanDerWaalsContact O-CG2 3.24Å; S119-V153 WeakPolarHBondContact O-CG2 3.46Å; S119-V153 PolarHBondContact O-N 3.33Å; S119-V153 VanDerWaalsContact O-O 3.12Å; S119-P156 VanDerWaalsContact OG-CD 3.28Å; S119-P156 WeakPolarHBondContact OG-CD 3.24Å; S119-P156 WeakPolarHBondContact OG-CG 3.11Å
120S96.9Very high90.1Very high59 Ų5945.7 Ų45.741%0.41326%0.257SS..EExtended strand (participates in β ladder)trans-158.3146.5175.268.50000111.5V151S120-V151 CarbonylContact C-O 3.55Å; S120-V151 WeakPolarHBondContact CA-O 3.48Å; S120-V151 WeakPolarHBondContact CB-O 3.45Å
121F96.8Very high88.9Confident26 Ų2648.7 Ų48.711%0.11427%0.269CS..EExtended strand (participates in β ladder)trans-148.6162170.663.3-87.2000110.9V109 D110 L111 P113 L114 T123 K150 V151V109-F121 HydrophobicContact CG1-CE2 4.43Å; D110-F121 WeakPolarHBondContact O-CZ 3.35Å; L111-F121 HydrophobicContact CD2-CZ 4.35Å; P113-F121 HydrophobicContact CB-CD1 3.66Å; P113-F121 HydrophobicContact CB-CE1 3.86Å; P113-F121 HydrophobicContact CB-CG 4.09Å; P113-F121 HydrophobicContact CB-CZ 4.46Å; P113-F121 HydrophobicContact CG-CD1 4.16Å; P113-F121 HydrophobicContact CG-CD2 4.41Å; P113-F121 HydrophobicContact CG-CE1 4.1Å; P113-F121 HydrophobicContact CG-CE2 4.36Å; P113-F121 HydrophobicContact CG-CG 4.31Å; P113-F121 HydrophobicContact CG-CZ 4.19Å; L114-F121 HydrophobicContact CD2-CD1 4.03Å; L114-F121 HydrophobicContact CD2-CE1 3.79Å; L114-F121 HydrophobicContact CG-CE1 3.95Å; F121-T123 HydrophobicContact CD2-CG2 4.31Å; F121-T123 HydrophobicContact CE2-CG2 4.14Å; F121-K150 WeakPolarHBondContact O-CA 3.17Å; F121-V151 HydrophobicContact CD1-CB 4Å; F121-V151 HydrophobicContact CD1-CG1 4.46Å; F121-V151 HydrophobicContact CD2-CB 4.47Å; F121-V151 HydrophobicContact CE1-CB 3.49Å; F121-V151 VanDerWaalsContact CE1-CB 3.49Å; F121-V151 HydrophobicContact CE1-CG1 3.7Å; F121-V151 HydrophobicContact CE1-CG2 4.01Å; F121-V151 HydrophobicContact CE2-CB 4.02Å; F121-V151 HydrophobicContact CE2-CG2 3.77Å; F121-V151 HydrophobicContact CG-CB 4.47Å; F121-V151 HydrophobicContact CZ-CB 3.51Å; F121-V151 HydrophobicContact CZ-CG1 3.97Å; F121-V151 HydrophobicContact CZ-CG2 3.46Å; F121-V151 VanDerWaalsContact CZ-CG2 3.46Å; F121-V151 PolarHBondContact N-O 2.95Å; F121-V151 PolarHBondContact O-N 2.6Å
122Q97.6Very high87.6Confident116 Ų11651.5 Ų51.554%0.54230%0.298SS..EExtended strand (participates in β ladder)trans-130.2136.3176.8-178.4170.4-700108.6E148 V149Q122-E148 HydrophobicContact CG-CG 4.41Å; Q122-E148 PolarHBondContact NE2-OE1 3.47Å; Q122-V149 CarbonylContact C-O 3.6Å; Q122-V149 WeakPolarHBondContact CA-O 3.3Å
123T94.8Very high86.7Confident54 Ų5451.2 Ų51.233%0.33130%0.298SS..EExtended strand (participates in β ladder)trans-148.9151-175.7-173.60000111.1F121 V125 V149F121-T123 HydrophobicContact CD2-CG2 4.31Å; F121-T123 HydrophobicContact CE2-CG2 4.14Å; T123-V125 HydrophobicContact CG2-CG1 3.93Å; T123-V149 PolarHBondContact N-O 3.38Å; T123-V149 PolarHBondContact O-N 3.43Å
124T95.9Very high85.4Confident78 Ų7851.8 Ų51.848%0.47930%0.301SS..EExtended strand (participates in β ladder)trans-102.5113.2171.7-58.30000108.1L147T124-L147 CarbonylContact C-O 3.59Å; T124-L147 WeakPolarHBondContact CA-O 3.5Å
125V91.3Very high84.1Confident9 Ų953.8 Ų53.86%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-100.6131-177.4-66.40000110.5A107 V108 V109 T123 S146 L147 V149A107-V125 HydrophobicContact CB-CB 4.27Å; A107-V125 HydrophobicContact CB-CG2 3.66Å; V108-V125 VanDerWaalsContact O-CG1 3.25Å; V108-V125 WeakPolarHBondContact O-CG1 3.49Å; V109-V125 HydrophobicContact CG2-CG1 4.35Å; V109-V125 HydrophobicContact CG2-CG2 4.4Å; T123-V125 HydrophobicContact CG2-CG1 3.93Å; V125-S146 CarbonylContact O-C 3.56Å; V125-S146 WeakPolarHBondContact O-CA 3.26Å; V125-S146 VanDerWaalsContact O-CB 3.28Å; V125-S146 WeakPolarHBondContact O-CB 3.26Å; V125-L147 HydrophobicContact CG2-CB 3.95Å; V125-L147 WeakPolarHBondContact CG2-O 3.25Å; V125-L147 PolarHBondContact N-O 3.03Å; V125-L147 PolarHBondContact O-N 3.31Å; V125-V149 HydrophobicContact CG2-CG2 3.78Å
126P90Very high82.7Confident47 Ų4758.2 Ų58.231%0.30533%0.332SS..EExtended strand (participates in β ladder)trans-64.9140.4175.225.7-32.9000111A107 H128 Q144A107-P126 WeakPolarHBondContact CB-O 3.41Å; P126-H128 WeakPolarHBondContact CG-NE2 3.39Å; P126-Q144 HydrophobicContact CB-CG 4.28Å
127L88Confident81.2Confident5 Ų558.7 Ų58.73%0.02634%0.342CS..  trans-90.4113.3171.2-171.873.1000108.4L21 V86 G105 A107 L135 C145L21-L127 HydrophobicContact CD2-CD2 3.83Å; V86-L127 HydrophobicContact CB-CD1 4.08Å; V86-L127 HydrophobicContact CB-CD2 4.11Å; V86-L127 HydrophobicContact CG2-CD1 3.47Å; V86-L127 VanDerWaalsContact CG2-CD1 3.47Å; V86-L127 HydrophobicContact CG2-CD2 3.98Å; V86-L127 HydrophobicContact CG2-CG 4.4Å; G105-L127 VanDerWaalsContact C-CD1 3.47Å; A107-L127 HydrophobicContact CB-CD1 4.15Å; L127-L135 HydrophobicContact CD2-CD1 4.25Å; L127-C145 HydrophobicContact CB-CB 3.81Å; L127-C145 WeakPolarHBondContact CB-O 3.36Å; L127-C145 HydrophobicContact CD2-CB 3.97Å; L127-C145 HydrophobicContact CG-CB 4.46Å; L127-C145 PolarHBondContact N-O 3.19Å
128H82.9Confident79.6Confident93 Ų9363.4 Ų63.443%0.43137%0.368SS..BIsolated β-bridgetrans-92136.5-179.3-64.6-78.6000110.9G105 Q106 P126 V130G105-H128 CarbonylContact C-O 3.5Å; G105-H128 WeakPolarHBondContact CA-O 3.27Å; Q106-H128 PolarHBondContact N-O 3.25Å; Q106-H128 PolarHBondContact O-N 3.4Å; P126-H128 WeakPolarHBondContact CG-NE2 3.39Å; H128-V130 PolarHBondContact O-N 3.02Å
129P78.8Confident77.8Confident64 Ų6469 Ų6942%0.41639%0.386SS..PPolyproline II helixtrans-62138173.625.6-32.5000110.4L135 E136P129-L135 HydrophobicContact CB-CB 3.8Å; P129-E136 HydrophobicContact CB-CB 4.43Å
130V69.8Low75.5Confident39 Ų3973.9 Ų73.924%0.23642%0.419CS..PPolyproline II helixtrans-95.6160167.6-62.80000109.8I103 Q106 H128 G132 S133I103-V130 HydrophobicContact CB-CG2 3.95Å; I103-V130 HydrophobicContact CG2-CG2 3.48Å; I103-V130 VanDerWaalsContact CG2-CG2 3.48Å; Q106-V130 HydrophobicContact CB-CG1 3.97Å; H128-V130 PolarHBondContact O-N 3.02Å; V130-G132 PolarHBondContact O-N 2.98Å; V130-S133 WeakPolarHBondContact O-CA 3.47Å; V130-S133 WeakPolarHBondContact O-CB 3.43Å; V130-S133 PolarHBondContact O-N 3.27Å
131Q64.4Low73.5Confident138 Ų13876.5 Ų76.565%0.64544%0.438SS*.THydrogen-bonded Turntrans-55.6127.8179.6-170.4179.26.500111.5S133Q131-S133 VanDerWaalsContact C-N 3.3Å
132G64.6Low72Confident60 Ų6077.9 Ų77.962%0.61945%0.454SS*.THydrogen-bonded Turntrans82.34.3-175.500000114.4V130 E136V130-G132 PolarHBondContact O-N 2.98Å; G132-E136 PolarHBondContact N-OE2 3.01Å
133S70.4Confident70.7Confident8 Ų879.8 Ų79.86%0.05646%0.461CS..  trans-72.6145171.7170.20000111.6L104 V130 Q131 L135 E136L104-S133 WeakPolarHBondContact O-CB 3.37Å; L104-S133 PolarHBondContact O-OG 2.67Å; V130-S133 WeakPolarHBondContact O-CA 3.47Å; V130-S133 WeakPolarHBondContact O-CB 3.43Å; V130-S133 PolarHBondContact O-N 3.27Å; Q131-S133 VanDerWaalsContact C-N 3.3Å; S133-L135 PolarHBondContact O-N 3Å; S133-L135 VanDerWaalsContact O-N 3.07Å; S133-L135 WeakPolarHBondContact OG-CB 3.49Å; S133-L135 PolarHBondContact OG-N 2.82Å; S133-E136 WeakPolarHBondContact O-CB 3.18Å; S133-E136 PolarHBondContact O-N 2.64Å; S133-E136 VanDerWaalsContact O-N 3.13Å
134P65Low70.1Confident37 Ų3783 Ų8324%0.2447%0.472CS..THydrogen-bonded Turntrans-56.9-19.5167.9-21.232.5000114.5F24 L102 L104F24-P134 HydrophobicContact CB-CB 4.46Å; F24-P134 HydrophobicContact CB-CG 3.75Å; F24-P134 HydrophobicContact CD2-CB 3.91Å; F24-P134 HydrophobicContact CD2-CG 3.55Å; F24-P134 HydrophobicContact CG-CG 4.04Å; L102-P134 HydrophobicContact CD2-CG 3.46Å; L102-P134 VanDerWaalsContact CD2-CG 3.46Å; L102-P134 HydrophobicContact CG-CG 4.44Å; L104-P134 HydrophobicContact CD2-CG 4.26Å
135L65.3Low69.8Low41 Ų4179.9 Ų79.922%0.21545%0.453CS..THydrogen-bonded Turntrans-86.1-5.6-178.4-59-175.3000113.1L104 L127 P129 S133 T137L104-L135 HydrophobicContact CB-CD1 4.38Å; L104-L135 VanDerWaalsContact O-CD1 3.3Å; L104-L135 WeakPolarHBondContact O-CD1 3.47Å; L127-L135 HydrophobicContact CD2-CD1 4.25Å; P129-L135 HydrophobicContact CB-CB 3.8Å; S133-L135 PolarHBondContact O-N 3Å; S133-L135 VanDerWaalsContact O-N 3.07Å; S133-L135 WeakPolarHBondContact OG-CB 3.49Å; S133-L135 PolarHBondContact OG-N 2.82Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.4Å
136E60.7Low69.9Low107 Ų10780.3 Ų80.350%0.546%0.456SS..SBendtrans-68-27.3-176.8-169.2172.9-178.500113.3P129 G132 S133 P138P129-E136 HydrophobicContact CB-CB 4.43Å; G132-E136 PolarHBondContact N-OE2 3.01Å; S133-E136 WeakPolarHBondContact O-CB 3.18Å; S133-E136 PolarHBondContact O-N 2.64Å; S133-E136 VanDerWaalsContact O-N 3.13Å; E136-P138 WeakPolarHBondContact O-CD 3.34Å
137T57.6Low70.3Confident108 Ų10878 Ų7866%0.66344%0.442SS*.SBendtrans-92.2104.9173.251.90000110.7L135 R139L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.4Å; T137-R139 PolarHBondContact O-N 3.31Å
138P52.5Low70.8Confident123 Ų12379.6 Ų79.680%0.79945%0.449SS*.  trans-66.4118.3178.126.3-33.7000109.8E136E136-P138 WeakPolarHBondContact O-CD 3.34Å
139R55.6Low71.5Confident200 Ų20075.2 Ų75.276%0.75543%0.429SS*.  trans-76.8131.5165.8-62.9-176.1-174.8178.94107.3T137 S141 A142T137-R139 PolarHBondContact O-N 3.31Å; R139-S141 PolarHBondContact O-N 3.15Å; R139-A142 HydrophobicContact CB-CB 4.34Å; R139-A142 PolarHBondContact O-N 2.63Å; R139-A142 VanDerWaalsContact O-N 3.09Å
140S47.7Very low72.4Confident139 Ų13976.4 Ų76.497%0.97243%0.427SS*.THydrogen-bonded Turntrans-59.67.9-170.547.20000117
141S54.9Low73.8Confident114 Ų11474.6 Ų74.680%0.79742%0.416SS*.THydrogen-bonded Turntrans-146.810.4179.461.40000114.8R139R139-S141 PolarHBondContact O-N 3.15Å
142A63.6Low75.4Confident56 Ų5671.1 Ų71.146%0.46340%0.402SS..PPolyproline II helixtrans-81.1129.5-17700000111.9R139R139-A142 HydrophobicContact CB-CB 4.34Å; R139-A142 PolarHBondContact O-N 2.63Å; R139-A142 VanDerWaalsContact O-N 3.09Å
143K71.8Confident76.9Confident155 Ų15568.4 Ų68.467%0.67437%0.373SS*.PPolyproline II helixtrans-61.5143.5166.1-69.9-179.8177.7-179.80109.8D20 C145D20-K143 HydrophobicContact CB-CB 4.23Å; D20-K143 WeakPolarHBondContact OD1-CD 3.21Å; K143-C145 PolarHBondContact O-N 2.79Å
144Q82.2Confident78Confident123 Ų12372.9 Ų72.958%0.57541%0.411SS*.PPolyproline II helixtrans-71123.6179.3-175.2168.818.900110.2P126P126-Q144 HydrophobicContact CB-CG 4.28Å
145C89.1Confident79.2Confident12 Ų1277.5 Ų77.58%0.08143%0.429CS..PPolyproline II helixtrans-58.3141.9172.5-58.80000110Y19 D20 L21 L127 K143Y19-C145 WeakPolarHBondContact O-CA 3.32Å; D20-C145 PolarHBondContact O-SG 3.2Å; L21-C145 HydrophobicContact CD2-CB 4.47Å; L127-C145 HydrophobicContact CB-CB 3.81Å; L127-C145 WeakPolarHBondContact CB-O 3.36Å; L127-C145 HydrophobicContact CD2-CB 3.97Å; L127-C145 HydrophobicContact CG-CB 4.46Å; L127-C145 PolarHBondContact N-O 3.19Å; K143-C145 PolarHBondContact O-N 2.79Å
146S94Very high80.4Confident17 Ų1778.2 Ų78.212%0.11944%0.436CS..EExtended strand (participates in β ladder)trans-151.4163.1-179.656.70000112.3G18 Y19 V125G18-S146 WeakPolarHBondContact CA-O 3.41Å; Y19-S146 PolarHBondContact N-O 2.84Å; Y19-S146 PolarHBondContact O-N 3.41Å; V125-S146 CarbonylContact O-C 3.56Å; V125-S146 WeakPolarHBondContact O-CA 3.26Å; V125-S146 VanDerWaalsContact O-CB 3.28Å; V125-S146 WeakPolarHBondContact O-CB 3.26Å
147L97.4Very high81.9Confident0 Ų073.1 Ų73.10%041%0.413CS..EExtended strand (participates in β ladder)trans-121.1137.8174.2-58.8177000109.5V15 E17 I33 Y58 L84 V86 A107 T124 V125 V149V15-L147 HydrophobicContact CG1-CB 4.19Å; V15-L147 HydrophobicContact CG1-CD1 4.46Å; V15-L147 HydrophobicContact CG1-CD2 4.4Å; E17-L147 WeakPolarHBondContact O-CA 3.48Å; I33-L147 HydrophobicContact CD1-CD1 4.12Å; I33-L147 HydrophobicContact CD1-CD2 4.01Å; Y58-L147 HydrophobicContact CE2-CD2 4.43Å; L84-L147 HydrophobicContact CB-CD1 3.95Å; L84-L147 HydrophobicContact CD1-CD1 4.04Å; V86-L147 HydrophobicContact CG2-CD1 3.9Å; V86-L147 HydrophobicContact CG2-CD2 4.1Å; V86-L147 HydrophobicContact CG2-CG 4.41Å; A107-L147 HydrophobicContact CB-CD1 4.02Å; T124-L147 CarbonylContact C-O 3.59Å; T124-L147 WeakPolarHBondContact CA-O 3.5Å; V125-L147 HydrophobicContact CG2-CB 3.95Å; V125-L147 WeakPolarHBondContact CG2-O 3.25Å; V125-L147 PolarHBondContact N-O 3.03Å; V125-L147 PolarHBondContact O-N 3.31Å; L147-V149 HydrophobicContact CB-CG2 4.23Å
148E98.2Very high83.4Confident38 Ų3869.8 Ų69.818%0.17839%0.39CS..EExtended strand (participates in β ladder)trans-89.2124167.9-170.1-178.4-137.700109.5V15 T16 E17 Y19 Q122V15-E148 WeakPolarHBondContact CA-O 3.39Å; T16-E148 PolarHBondContact N-O 2.95Å; T16-E148 WeakPolarHBondContact OG1-CB 3.38Å; T16-E148 VanDerWaalsContact OG1-CG 3.3Å; T16-E148 WeakPolarHBondContact OG1-CG 3.4Å; T16-E148 PolarHBondContact OG1-O 3.33Å; T16-E148 PolarHBondContact OG1-OE2 3.02Å; E17-E148 HydrophobicContact CB-CB 4.34Å; E17-E148 PolarHBondContact O-N 3.34Å; Y19-E148 HydrophobicContact CE2-CB 3.99Å; Q122-E148 HydrophobicContact CG-CG 4.41Å; Q122-E148 PolarHBondContact NE2-OE1 3.47Å
149V98.3Very high85Confident0 Ų067.6 Ų67.60%038%0.375CS..EExtended strand (participates in β ladder)trans-128.9132.9-173.8-172.80000110I13 T14 V15 L84 V109 Q122 T123 V125 L147 V151I13-V149 HydrophobicContact CG2-CG1 3.73Å; T14-V149 CarbonylContact O-C 3.56Å; T14-V149 WeakPolarHBondContact O-CA 3.45Å; V15-V149 HydrophobicContact CG2-CG2 4.35Å; L84-V149 HydrophobicContact CD1-CG2 3.58Å; V109-V149 HydrophobicContact CG1-CG1 4.2Å; V109-V149 HydrophobicContact CG2-CB 4.32Å; V109-V149 HydrophobicContact CG2-CG1 3.98Å; V109-V149 HydrophobicContact CG2-CG2 4.06Å; Q122-V149 CarbonylContact C-O 3.6Å; Q122-V149 WeakPolarHBondContact CA-O 3.3Å; T123-V149 PolarHBondContact N-O 3.38Å; T123-V149 PolarHBondContact O-N 3.43Å; V125-V149 HydrophobicContact CG2-CG2 3.78Å; L147-V149 HydrophobicContact CB-CG2 4.23Å; V149-V151 HydrophobicContact CG1-CG2 4.36Å
150K98.3Very high86.5Confident90 Ų9064 Ų6439%0.39138%0.375SS..EExtended strand (participates in β ladder)trans-112.8129.5170.9-176.6177.1180177.50109.7T14 F121T14-K150 PolarHBondContact N-O 2.95Å; T14-K150 PolarHBondContact O-N 3.5Å; F121-K150 WeakPolarHBondContact O-CA 3.17Å
151V97.9Very high88.3Confident0 Ų060.7 Ų60.70%036%0.357CS..EExtended strand (participates in β ladder)trans-111.7137.5173.6-178.30000109V11 Q12 I13 V109 L111 L114 S120 F121 V149V11-V151 HydrophobicContact CG1-CG1 4.1Å; Q12-V151 CarbonylContact O-C 3.53Å; Q12-V151 VanDerWaalsContact O-CA 3.29Å; Q12-V151 WeakPolarHBondContact O-CA 3.48Å; I13-V151 HydrophobicContact CG1-CG2 4.27Å; V109-V151 HydrophobicContact CG1-CG2 3.96Å; L111-V151 HydrophobicContact CD2-CG1 4.04Å; L111-V151 HydrophobicContact CD2-CG2 4.2Å; L114-V151 HydrophobicContact CD1-CG1 3.97Å; L114-V151 HydrophobicContact CD2-CG1 4.25Å; L114-V151 HydrophobicContact CG-CG1 4.42Å; S120-V151 CarbonylContact C-O 3.55Å; S120-V151 WeakPolarHBondContact CA-O 3.48Å; S120-V151 WeakPolarHBondContact CB-O 3.45Å; F121-V151 HydrophobicContact CD1-CB 4Å; F121-V151 HydrophobicContact CD1-CG1 4.46Å; F121-V151 HydrophobicContact CD2-CB 4.47Å; F121-V151 HydrophobicContact CE1-CB 3.49Å; F121-V151 VanDerWaalsContact CE1-CB 3.49Å; F121-V151 HydrophobicContact CE1-CG1 3.7Å; F121-V151 HydrophobicContact CE1-CG2 4.01Å; F121-V151 HydrophobicContact CE2-CB 4.02Å; F121-V151 HydrophobicContact CE2-CG2 3.77Å; F121-V151 HydrophobicContact CG-CB 4.47Å; F121-V151 HydrophobicContact CZ-CB 3.51Å; F121-V151 HydrophobicContact CZ-CG1 3.97Å; F121-V151 HydrophobicContact CZ-CG2 3.46Å; F121-V151 VanDerWaalsContact CZ-CG2 3.46Å; F121-V151 PolarHBondContact N-O 2.95Å; F121-V151 PolarHBondContact O-N 2.6Å; V149-V151 HydrophobicContact CG1-CG2 4.36Å
152L97.9Very high89.7Confident65 Ų6560.3 Ų60.334%0.3434%0.342SS..EExtended strand (participates in β ladder)trans-142137.4-176.817969000111Q12Q12-L152 HydrophobicContact CB-CB 4.45Å; Q12-L152 PolarHBondContact N-O 2.8Å; Q12-L152 PolarHBondContact O-N 3.41Å
153V96.5Very high90.7Very high3 Ų360.8 Ų60.82%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-128.7145.8163.9-76.70000108.2V11 L114 S119 E155 L157V11-V153 HydrophobicContact CB-CG1 4.01Å; V11-V153 HydrophobicContact CG1-CG1 4.18Å; V11-V153 HydrophobicContact CG2-CG1 3.61Å; L114-V153 HydrophobicContact CD1-CG1 4.2Å; L114-V153 HydrophobicContact CD2-CG2 3.96Å; S119-V153 VanDerWaalsContact O-CG2 3.24Å; S119-V153 WeakPolarHBondContact O-CG2 3.46Å; S119-V153 PolarHBondContact O-N 3.33Å; S119-V153 VanDerWaalsContact O-O 3.12Å; V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 WeakPolarHBondContact CG2-O 3.45Å; V153-E155 PolarHBondContact O-N 2.92Å; V153-L157 HydrophobicContact CB-CD2 4.33Å; V153-L157 HydrophobicContact CG1-CD2 3.9Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 HydrophobicContact CG2-CD2 4.48Å; V153-L157 HydrophobicContact CG2-CG 4.4Å
154A93.1Very high91.1Very high102 Ų10258.1 Ų58.184%0.84334%0.337SS*.SBendtrans-63.2-35.8-176.500000112.7
155E90.7Very high91.1Very high134 Ų13455.5 Ų55.563%0.62634%0.343SS*.SBendtrans-139154.1179.4-65-176.2175.100109.7V153 L157V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 WeakPolarHBondContact CG2-O 3.45Å; V153-E155 PolarHBondContact O-N 2.92Å; E155-L157 PolarHBondContact O-N 3.22Å
156P91.3Very high90.2Very high57 Ų5756.9 Ų56.937%0.3736%0.359SS..  trans-51.3136176.4-24.131.6000112.2R9 S119 L158R9-P156 PolarHBondContact NH1-O 3.21Å; S119-P156 VanDerWaalsContact OG-CD 3.28Å; S119-P156 WeakPolarHBondContact OG-CD 3.24Å; S119-P156 WeakPolarHBondContact OG-CG 3.11Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 PolarHBondContact O-N 3.39Å
157L91.2Very high89.1Confident0 Ų063.6 Ų63.60%039%0.394CS..SBendtrans-69-29.4-178.5-65.8-171.5000112.7R9 V11 F66 L77 L114 V153 E155R9-L157 HydrophobicContact CB-CD2 4.11Å; R9-L157 PolarHBondContact NH1-O 2.95Å; R9-L157 PolarHBondContact NH2-O 3.08Å; V11-L157 HydrophobicContact CG2-CD1 4.43Å; F66-L157 HydrophobicContact CB-CD2 4.33Å; F66-L157 HydrophobicContact CD1-CD2 3.82Å; F66-L157 HydrophobicContact CD2-CD1 4.21Å; F66-L157 HydrophobicContact CE1-CB 4.49Å; F66-L157 HydrophobicContact CE1-CD2 4.38Å; F66-L157 HydrophobicContact CE2-CD1 4.46Å; F66-L157 HydrophobicContact CG-CD1 4.22Å; F66-L157 HydrophobicContact CG-CD2 4.07Å; L77-L157 HydrophobicContact CD1-CD1 3.29Å; L114-L157 HydrophobicContact CB-CD1 3.77Å; L114-L157 HydrophobicContact CB-CG 4.29Å; L114-L157 HydrophobicContact CD1-CD1 3.93Å; L114-L157 HydrophobicContact CG-CD1 4.49Å; V153-L157 HydrophobicContact CB-CD2 4.33Å; V153-L157 HydrophobicContact CG1-CD2 3.9Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 HydrophobicContact CG2-CD2 4.48Å; V153-L157 HydrophobicContact CG2-CG 4.4Å; E155-L157 PolarHBondContact O-N 3.22Å
158L88.7Confident87.7Confident37 Ų3767.9 Ų67.919%0.19442%0.416CS..SBendtrans-117.8144.9177.1-57.6-178.3000110.3L115 P156 Q162 I163L115-L158 HydrophobicContact CB-CD1 4.39Å; L115-L158 HydrophobicContact CD2-CD1 4.31Å; L115-L158 WeakPolarHBondContact O-CD1 3.48Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 PolarHBondContact O-N 3.39Å; L158-Q162 HydrophobicContact CB-CB 4.33Å; L158-I163 HydrophobicContact CB-CD1 4.19Å; L158-I163 HydrophobicContact CB-CG1 3.8Å; L158-I163 HydrophobicContact CD1-CG1 4.42Å
159T87.7Confident86.3Confident78 Ų7870.4 Ų70.448%0.47943%0.431SS..  trans-71.8156.4172.662.70000110.9A161 Q162 I163T159-A161 PolarHBondContact O-N 3.29Å; T159-Q162 PolarHBondContact O-N 3.49Å; T159-Q162 VanDerWaalsContact OG1-CG 3.27Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.28Å; T159-Q162 PolarHBondContact OG1-N 2.99Å; T159-Q162 PolarHBondContact OG1-OE1 3.19Å; T159-I163 WeakPolarHBondContact O-CG1 3.42Å; T159-I163 PolarHBondContact O-N 3.04Å
160T86.1Confident84.8Confident124 Ų12476.5 Ų76.576%0.76146%0.457SS*.Hα-helixtrans-54.1-37.6175.1-41.70000112.2I163 S164T160-I163 PolarHBondContact O-N 3.44Å; T160-S164 WeakPolarHBondContact O-CB 3.33Å; T160-S164 PolarHBondContact O-N 3.39Å; T160-S164 PolarHBondContact O-OG 2.85Å; T160-S164 VanDerWaalsContact O-OG 3.09Å
161A85.3Confident83.2Confident70 Ų7075 Ų7558%0.57946%0.456SS*.Hα-helixtrans-65.4-43.1177.600000112.3T159 S164 G165T159-A161 PolarHBondContact O-N 3.29Å; A161-S164 WeakPolarHBondContact CA-OG 3.46Å; A161-S164 PolarHBondContact O-N 2.88Å; A161-S164 PolarHBondContact O-OG 3.21Å; A161-G165 PolarHBondContact O-N 3.47Å
162Q84.9Confident81.3Confident106 Ų10679.3 Ų79.350%0.49548%0.482SS..Hα-helixtrans-65.1-38.5175.9-74.7167.4-53.500112L158 T159 G166L158-Q162 HydrophobicContact CB-CB 4.33Å; T159-Q162 PolarHBondContact O-N 3.49Å; T159-Q162 VanDerWaalsContact OG1-CG 3.27Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.28Å; T159-Q162 PolarHBondContact OG1-N 2.99Å; T159-Q162 PolarHBondContact OG1-OE1 3.19Å; Q162-G166 WeakPolarHBondContact O-CA 3.42Å; Q162-G166 PolarHBondContact O-N 2.94Å
163I83.6Confident79.3Confident65 Ų6582.4 Ų82.433%0.33350%0.498SS..Hα-helixtrans-68-46.5176.4-63.4166.3000110.2L158 T159 T160 G165 G166L158-I163 HydrophobicContact CB-CD1 4.19Å; L158-I163 HydrophobicContact CB-CG1 3.8Å; L158-I163 HydrophobicContact CD1-CG1 4.42Å; T159-I163 WeakPolarHBondContact O-CG1 3.42Å; T159-I163 PolarHBondContact O-N 3.04Å; T160-I163 PolarHBondContact O-N 3.44Å; I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.01Å; I163-G166 PolarHBondContact O-N 3.44Å
164S81.5Confident76.8Confident99 Ų9991.1 Ų91.169%0.69254%0.538SS*.Hα-helixtrans-68.9-28.5-179.663.60000114T160 A161T160-S164 WeakPolarHBondContact O-CB 3.33Å; T160-S164 PolarHBondContact O-N 3.39Å; T160-S164 PolarHBondContact O-OG 2.85Å; T160-S164 VanDerWaalsContact O-OG 3.09Å; A161-S164 WeakPolarHBondContact CA-OG 3.46Å; A161-S164 PolarHBondContact O-N 2.88Å; A161-S164 PolarHBondContact O-OG 3.21Å
165G80.4Confident74.3Confident68 Ų6890.4 Ų90.470%0.70153%0.532SS*.Hα-helixtrans-94.5-8.4178.500000113.8A161 I163A161-G165 PolarHBondContact O-N 3.47Å; I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.01Å
166G72.1Confident72.3Confident41 Ų4187 Ų8742%0.42353%0.527SS..  trans-95.6151.8-179.200000112.1Q162 I163Q162-G166 WeakPolarHBondContact O-CA 3.42Å; Q162-G166 PolarHBondContact O-N 2.94Å; I163-G166 PolarHBondContact O-N 3.44Å
167N69.2Low69.8Low159 Ų15994.8 Ų94.885%0.8555%0.551SS**  trans-112.5121.2168.7-66.7-52.8000108.3
168L69.4Low67.3Low90 Ų9099.1 Ų99.147%0.47158%0.581SS.*  trans-102.9115.3173.5-172.567.3000108.9L112 E116L112-L168 HydrophobicContact CD1-CD1 3.86Å; L112-L168 HydrophobicContact CD1-CD2 3.67Å; L112-L168 HydrophobicContact CD1-CG 4.16Å; L112-L168 HydrophobicContact CD2-CD2 4.3Å; L112-L168 HydrophobicContact CG-CD2 3.94Å; E116-L168 HydrophobicContact CG-CD2 3.77Å
169L68.9Low65.4Low91 Ų91100.6 Ų100.648%0.47659%0.592SS.*  trans-101.2116.2174.7-179.869.4000109.8V171 L196 V198 I208L169-V171 HydrophobicContact CD2-CG2 4.16Å; L169-V171 HydrophobicContact CG-CG2 4.08Å; L169-L196 HydrophobicContact CD2-CD2 4.26Å; L169-V198 HydrophobicContact CD2-CB 4.3Å; L169-V198 HydrophobicContact CD2-CG1 4.01Å; L169-V198 HydrophobicContact CD2-CG2 3.27Å; L169-I208 HydrophobicContact CD2-CD1 4.12Å
170K66.9Low63.4Low127 Ų127100.4 Ų100.455%0.55259%0.592SS**  trans-95.7125.9171.8-172.2174.3-174.4163.80110.2D110 L112 T172D110-K170 IonicContact OD2-NZ 3.6Å; L112-K170 HydrophobicContact CD2-CD 3.85Å; L112-K170 HydrophobicContact CD2-CG 4.27Å; K170-T172 WeakPolarHBondContact CE-OG1 3.39Å
171V64.3Low61.5Low60 Ų60102.5 Ų102.536%0.36459%0.593SS.*  trans-118.9117.5172.9-174.40000107.8L169 L196 F210L169-V171 HydrophobicContact CD2-CG2 4.16Å; L169-V171 HydrophobicContact CG-CG2 4.08Å; V171-L196 HydrophobicContact CG1-CD2 4.37Å; V171-L196 HydrophobicContact CG2-CD2 3.56Å; V171-F210 HydrophobicContact CB-CE2 4.17Å; V171-F210 HydrophobicContact CB-CZ 4.11Å; V171-F210 HydrophobicContact CG1-CE2 4.25Å; V171-F210 HydrophobicContact CG2-CE2 3.87Å; V171-F210 HydrophobicContact CG2-CZ 3.8Å
172T58.1Low59.4Low90 Ų90102.3 Ų102.355%0.55259%0.587SS**  trans-120.7127.1179.5-54.20000109K170 E174K170-T172 WeakPolarHBondContact CE-OG1 3.39Å; T172-E174 HydrophobicContact CG2-CG 4.09Å
173L56.2Low57.4Low130 Ų130102.5 Ų102.568%0.68159%0.587SS**  trans-99.499.5173.2-177.668.8000108.7
174E42.8Very low55.9Low185 Ų185103.6 Ų103.686%0.86459%0.592SS**  trans-80.4-31.8-173.8-63.6-172.1158.300113.8T172T172-E174 HydrophobicContact CG2-CG 4.09Å
175A41.8Very low54.2Low87 Ų87104.1 Ų104.172%0.71959%0.593SS**  trans-152.6149.6177.500000110.5
176A47.6Very low52.7Low62 Ų62106.1 Ų106.151%0.51259%0.592SS.*  trans-131.1128.3171.900000109V179A176-V179 HydrophobicContact CB-CG2 3.48Å; A176-V179 VanDerWaalsContact CB-CG2 3.48Å
177Y38.1Very low51.3Low221 Ų221106.3 Ų106.387%0.86759%0.594SS**SBendtrans-102.5140.4-179.1-175.8-99.4000110.2V179Y177-V179 VanDerWaalsContact C-N 3.26Å; Y177-V179 PolarHBondContact O-N 2.91Å
178S38.8Very low49.8Very low92 Ų92104 Ų10464%0.64359%0.587SS**SBendtrans53.642.4-178-58.10000113.2P180S178-P180 WeakPolarHBondContact O-CD 3.43Å
179V49.2Very low48.6Very low68 Ų68103.7 Ų103.741%0.41261%0.606SS.*  trans-60.3123.2173.8-160.40000107.6A176 Y177 F183A176-V179 HydrophobicContact CB-CG2 3.48Å; A176-V179 VanDerWaalsContact CB-CG2 3.48Å; Y177-V179 VanDerWaalsContact C-N 3.26Å; Y177-V179 PolarHBondContact O-N 2.91Å; V179-F183 HydrophobicContact CG1-CB 3.37Å; V179-F183 HydrophobicContact CG1-CD1 3.6Å; V179-F183 HydrophobicContact CG1-CG 3.66Å
180P45.6Very low47.6Very low74 Ų74105.5 Ų105.548%0.48161%0.612SS.*  trans-54.7146.6-179.3-26.935000111.2S178 S182 F183S178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-S182 WeakPolarHBondContact CB-OG 3.35Å; P180-S182 PolarHBondContact O-N 3.41Å; P180-F183 PolarHBondContact O-N 2.68Å
181E46.6Very low46.7Very low168 Ų168104.4 Ų104.479%0.78561%0.612SS**G310 helixtrans-53.8-23.1176.7-74.1-176.1157.500112.7F183 I184E181-F183 PolarHBondContact O-N 3.45Å; E181-I184 HydrophobicContact CB-CD1 4.05Å; E181-I184 HydrophobicContact CG-CD1 3.97Å; E181-I184 WeakPolarHBondContact O-CB 3.38Å; E181-I184 WeakPolarHBondContact O-CG1 3.46Å; E181-I184 PolarHBondContact O-N 3.01Å
182S41.2Very low46Very low65 Ų65106.7 Ų106.746%0.45562%0.615SS.*G310 helixtrans-67.9-9.8174.559.30000115.5P180P180-S182 WeakPolarHBondContact CB-OG 3.35Å; P180-S182 PolarHBondContact O-N 3.41Å
183F42.7Very low45.7Very low111 Ų111105.6 Ų105.649%0.48761%0.605SS.*G310 helixtrans-97.6-1.9171.2-82.2-135.5000111.6V179 P180 E181 Y192V179-F183 HydrophobicContact CG1-CB 3.37Å; V179-F183 HydrophobicContact CG1-CD1 3.6Å; V179-F183 HydrophobicContact CG1-CG 3.66Å; P180-F183 PolarHBondContact O-N 2.68Å; E181-F183 PolarHBondContact O-N 3.45Å; F183-Y192 VanDerWaalsContact CE1-CB 3.41Å
184I52.8Low45.8Very low88 Ų88102.1 Ų102.145%0.45159%0.589SS.*SBendtrans-75.5135173.7-57.5174.9000107.8E181 T186E181-I184 HydrophobicContact CB-CD1 4.05Å; E181-I184 HydrophobicContact CG-CD1 3.97Å; E181-I184 WeakPolarHBondContact O-CB 3.38Å; E181-I184 WeakPolarHBondContact O-CG1 3.46Å; E181-I184 PolarHBondContact O-N 3.01Å; I184-T186 PolarHBondContact O-N 3.07Å
185P46.3Very low46.4Very low110 Ų11095.5 Ų95.571%0.71457%0.57SS**THydrogen-bonded Turntrans-66.95.5-165.7-19.331.8000116.6G187P185-G187 VanDerWaalsContact C-N 3.31Å; P185-G187 PolarHBondContact O-N 2.66Å
186T48.1Very low47.2Very low109 Ų10994.5 Ų94.567%0.66955%0.552SS**THydrogen-bonded Turntrans-841.3-172.144.30000114.4I184I184-T186 PolarHBondContact O-N 3.07Å
187G42Very low47.5Very low45 Ų4593.6 Ų93.646%0.46454%0.537SS..SBendtrans-115.8169.217700000113.9P185 G189P185-G187 VanDerWaalsContact C-N 3.31Å; P185-G187 PolarHBondContact O-N 2.66Å; G187-G189 PolarHBondContact O-N 3.28Å
188P37.9Very low48.2Very low110 Ų11084.6 Ų84.671%0.71451%0.506SS*.SBendtrans-55.6134.8174.524-31.8000109.7Q190P188-Q190 WeakPolarHBondContact O-CG 3.3Å; P188-Q190 PolarHBondContact O-N 3.38Å
189G45.5Very low48.8Very low84 Ų8485.1 Ų85.187%0.86651%0.507SS*.  trans-44.9111.9-169.800000112.6G187G187-G189 PolarHBondContact O-N 3.28Å
190Q47.4Very low48.7Very low130 Ų13084 Ų8461%0.60750%0.502SS*.  trans-103.3151.7-175-68.4-134.73.200112.5P188 Y192P188-Q190 WeakPolarHBondContact O-CG 3.3Å; P188-Q190 PolarHBondContact O-N 3.38Å; Q190-Y192 PolarHBondContact O-N 2.91Å
191N48.2Very low48.6Very low103 Ų10389 Ų8955%0.55152%0.524SS*.  trans-83110.3-169.2-61.9-39.9000111.2N212N191-N212 VanDerWaalsContact C-OD1 3.3Å; N191-N212 WeakPolarHBondContact CA-OD1 3.25Å; N191-N212 PolarHBondContact OD1-ND2 3.09Å
192Y49.1Very low48.8Very low108 Ų10885 Ų8542%0.42453%0.527SS..  trans-92.3149.6172.161.6-90.4000110.9F183 Q190 K211 N212 G213F183-Y192 VanDerWaalsContact CE1-CB 3.41Å; Q190-Y192 PolarHBondContact O-N 2.91Å; Y192-K211 CarbonylContact O-C 3.58Å; Y192-K211 VanDerWaalsContact O-CA 3.31Å; Y192-K211 WeakPolarHBondContact O-CA 3.44Å; Y192-N212 HydrophobicContact CE1-CB 4.44Å; Y192-N212 PolarHBondContact N-OD1 3.23Å; Y192-N212 PolarHBondContact O-N 3.25Å; Y192-N212 PolarHBondContact O-OD1 3.05Å; Y192-G213 PolarHBondContact OH-N 3.44Å
193M52.6Low49.3Very low68 Ų6889.5 Ų89.534%0.33554%0.541SS..EExtended strand (participates in β ladder)trans-138.4129.9-174.9-169176.2-77.300112.7L209 F210 K211 C225M193-L209 HydrophobicContact CE-CD2 3.65Å; M193-L209 HydrophobicContact CE-CG 4.16Å; M193-L209 HydrophobicContact CG-CD1 3.47Å; M193-L209 VanDerWaalsContact CG-CD1 3.47Å; M193-L209 HydrophobicContact CG-CD2 4.18Å; M193-L209 HydrophobicContact CG-CG 3.64Å; M193-L209 HydrophobicContact SD-CD1 3.46Å; M193-L209 WeakPolarHBondContact SD-CD1 3.38Å; M193-L209 HydrophobicContact SD-CD2 3.57Å; M193-L209 VanDerWaalsContact SD-CD2 3.57Å; M193-L209 HydrophobicContact SD-CG 3.67Å; M193-F210 CarbonylContact C-O 3.55Å; M193-F210 WeakPolarHBondContact CA-O 3.48Å; M193-K211 HydrophobicContact CE-CB 4.2Å; M193-K211 HydrophobicContact CE-CD 4.03Å; M193-K211 HydrophobicContact CE-CG 4.05Å; M193-C225 WeakPolarHBondContact CE-SG 3.32Å; M193-C225 HydrophobicContact SD-CB 3.54Å; M193-C225 VanDerWaalsContact SD-CB 3.54Å; M193-C225 PolarHBondContact SD-SG 3.37Å
194V58.5Low49.8Very low56 Ų5691.3 Ų91.334%0.33955%0.549SS..EExtended strand (participates in β ladder)trans-121.3118.8174.5-175.20000108.6L209 F210V194-L209 CarbonylContact O-C 3.57Å; V194-L209 WeakPolarHBondContact O-CA 3.36Å; V194-F210 HydrophobicContact CB-CB 4.12Å; V194-F210 HydrophobicContact CB-CD2 4.32Å; V194-F210 PolarHBondContact N-O 2.87Å; V194-F210 PolarHBondContact O-N 2.87Å
195G54.6Low49.8Very low46 Ų4690.8 Ų90.847%0.47455%0.547SS..EExtended strand (participates in β ladder)trans-96.3122.7172.400000110.4I208G195-I208 CarbonylContact C-O 3.58Å; G195-I208 WeakPolarHBondContact CA-O 3.4Å
196L58.5Low50.2Low66 Ų6691.5 Ų91.535%0.34654%0.536SS..EExtended strand (participates in β ladder)trans-123.9138.7173.1-172.972.6000108.6L169 V171 V198 I208L169-L196 HydrophobicContact CD2-CD2 4.26Å; V171-L196 HydrophobicContact CG1-CD2 4.37Å; V171-L196 HydrophobicContact CG2-CD2 3.56Å; L196-V198 HydrophobicContact CD2-CG2 4.3Å; L196-I208 PolarHBondContact N-O 3.3Å; L196-I208 WeakPolarHBondContact O-CA 3.39Å; L196-I208 WeakPolarHBondContact O-CB 3.29Å; L196-I208 PolarHBondContact O-N 3.31Å; L196-I208 VanDerWaalsContact O-O 3.12Å
197Q53.2Low50.7Low43 Ų4387.6 Ų87.620%0.20151%0.513CS..EExtended strand (participates in β ladder)trans-95.8126.1167.2-71.8-135.7-37.100109.4D205 R245Q197-D205 HydrophobicContact CB-CB 4.41Å; Q197-D205 PolarHBondContact OE1-OD2 3.32Å; Q197-D205 VanDerWaalsContact OE1-OD2 3.14Å; Q197-R245 VanDerWaalsContact CD-CZ 3.43Å; Q197-R245 VanDerWaalsContact OE1-NH1 3.13Å
198V54.6Low51.4Low33 Ų3386.6 Ų86.620%0.250%0.496CS..EExtended strand (participates in β ladder)trans-101.3115.2177.6-174.80000107.3L169 L196 S200 Y206 I208L169-V198 HydrophobicContact CD2-CB 4.3Å; L169-V198 HydrophobicContact CD2-CG1 4.01Å; L169-V198 HydrophobicContact CD2-CG2 3.27Å; L196-V198 HydrophobicContact CD2-CG2 4.3Å; V198-S200 PolarHBondContact O-N 3.44Å; V198-Y206 PolarHBondContact N-O 3.45Å; V198-Y206 PolarHBondContact O-N 3.4Å; V198-I208 HydrophobicContact CB-CD1 4.26Å; V198-I208 HydrophobicContact CG2-CB 4.21Å; V198-I208 HydrophobicContact CG2-CD1 3.34Å; V198-I208 HydrophobicContact CG2-CG1 3.79Å
199P49.5Very low52.4Low103 Ų10381.8 Ų81.867%0.66947%0.465SS*.  trans-64.4112.117124.6-29.5000107.6
200S47.3Very low52.8Low43 Ų4379.3 Ų79.330%0.30143%0.43SS..  trans-83.5146.9169.782.40000108.7V198 G202 E203V198-S200 PolarHBondContact O-N 3.44Å; S200-G202 PolarHBondContact O-N 3.32Å; S200-E203 WeakPolarHBondContact OG-CB 3.26Å
201L43.5Very low53.1Low180 Ų18076.3 Ų76.394%0.94242%0.415SS*.SBendtrans-65.897.2176.4-98.4142.6000109.8
202G51Low53.4Low84 Ų8474.3 Ų74.387%0.86640%0.404SS*.SBendtrans99.5-0.8167.600000116.8S200S200-G202 PolarHBondContact O-N 3.32Å
203E51.9Low53.3Low159 Ų15970.7 Ų70.774%0.74340%0.4SS*.SBendtrans-119.7175175.2-55.7-177.4153.600112.5S200S200-E203 WeakPolarHBondContact OG-CB 3.26Å
204K52.4Low52.9Low149 Ų14971.4 Ų71.465%0.64841%0.409SS*.SBendtrans-57.5142.4173-76-177.6169-171.70110.6Y206 E252K204-Y206 PolarHBondContact O-N 3.44Å; K204-E252 IonicContact NZ-OE1 3.32Å; K204-E252 PolarHBondContact NZ-OE1 2.95Å
205D53Low52.3Low77 Ų7772.1 Ų72.141%0.41241%0.41SS..PPolyproline II helixtrans-47.2124.9177-68.6-24.9000111.4Q197 P207 R245Q197-D205 HydrophobicContact CB-CB 4.41Å; Q197-D205 PolarHBondContact OE1-OD2 3.32Å; Q197-D205 VanDerWaalsContact OE1-OD2 3.14Å; D205-P207 WeakPolarHBondContact O-CD 3.44Å; D205-R245 IonicContact OD2-CZ 3.14Å; D205-R245 IonicContact OD2-NH1 2.64Å; D205-R245 IonicContact OD2-NH2 3.46Å
206Y55.6Low52.3Low126 Ų12672.4 Ų72.449%0.49440%0.401SS..EExtended strand (participates in β ladder)trans-92.7117.3179.8-162.2-95.6000110.2V198 K204 I208 G217V198-Y206 PolarHBondContact N-O 3.45Å; V198-Y206 PolarHBondContact O-N 3.4Å; K204-Y206 PolarHBondContact O-N 3.44Å; Y206-I208 HydrophobicContact CD1-CG1 4.07Å; Y206-I208 PolarHBondContact O-N 2.89Å; Y206-G217 PolarHBondContact OH-O 3.42Å; Y206-G217 VanDerWaalsContact OH-O 3.07Å
207P58Low52Low27 Ų2771.2 Ų71.218%0.17540%0.404CS..EExtended strand (participates in β ladder)trans-72.2115.1173.728.7-30.9000109.7D205D205-P207 WeakPolarHBondContact O-CD 3.44Å
208I57.6Low52.4Low23 Ų2372.6 Ų72.612%0.11841%0.413CS..EExtended strand (participates in β ladder)trans-93.5128.4168.5-76.5-166.8000108.8L169 G195 L196 V198 Y206 F210 L215L169-I208 HydrophobicContact CD2-CD1 4.12Å; G195-I208 CarbonylContact C-O 3.58Å; G195-I208 WeakPolarHBondContact CA-O 3.4Å; L196-I208 PolarHBondContact N-O 3.3Å; L196-I208 WeakPolarHBondContact O-CA 3.39Å; L196-I208 WeakPolarHBondContact O-CB 3.29Å; L196-I208 PolarHBondContact O-N 3.31Å; L196-I208 VanDerWaalsContact O-O 3.12Å; V198-I208 HydrophobicContact CB-CD1 4.26Å; V198-I208 HydrophobicContact CG2-CB 4.21Å; V198-I208 HydrophobicContact CG2-CD1 3.34Å; V198-I208 HydrophobicContact CG2-CG1 3.79Å; Y206-I208 HydrophobicContact CD1-CG1 4.07Å; Y206-I208 PolarHBondContact O-N 2.89Å; I208-F210 HydrophobicContact CG2-CD2 3.82Å; I208-F210 HydrophobicContact CG2-CE2 3.32Å; I208-F210 HydrophobicContact CG2-CZ 3.78Å; I208-L215 HydrophobicContact CB-CD1 4.02Å; I208-L215 HydrophobicContact CD1-CD1 4.01Å; I208-L215 HydrophobicContact CG1-CD1 4.06Å; I208-L215 HydrophobicContact CG2-CD1 3.12Å
209L58.2Low52.6Low9 Ų974 Ų745%0.04742%0.417CS..EExtended strand (participates in β ladder)trans-114.2120175.2-158.469000109.5M193 V194 N216 E221M193-L209 HydrophobicContact CE-CD2 3.65Å; M193-L209 HydrophobicContact CE-CG 4.16Å; M193-L209 HydrophobicContact CG-CD1 3.47Å; M193-L209 VanDerWaalsContact CG-CD1 3.47Å; M193-L209 HydrophobicContact CG-CD2 4.18Å; M193-L209 HydrophobicContact CG-CG 3.64Å; M193-L209 HydrophobicContact SD-CD1 3.46Å; M193-L209 WeakPolarHBondContact SD-CD1 3.38Å; M193-L209 HydrophobicContact SD-CD2 3.57Å; M193-L209 VanDerWaalsContact SD-CD2 3.57Å; M193-L209 HydrophobicContact SD-CG 3.67Å; V194-L209 CarbonylContact O-C 3.57Å; V194-L209 WeakPolarHBondContact O-CA 3.36Å; L209-N216 VanDerWaalsContact CB-O 3.3Å; L209-N216 WeakPolarHBondContact CB-O 3.46Å; L209-N216 PolarHBondContact N-O 2.89Å; L209-N216 PolarHBondContact O-N 3.17Å; L209-E221 HydrophobicContact CD2-CB 4.26Å
210F54.8Low53.3Low33 Ų3372.3 Ų72.315%0.14541%0.408CS..EExtended strand (participates in β ladder)trans-94.2109.2167.7-64.3-88000108.4V171 M193 V194 I208 T214 L215V171-F210 HydrophobicContact CB-CE2 4.17Å; V171-F210 HydrophobicContact CB-CZ 4.11Å; V171-F210 HydrophobicContact CG1-CE2 4.25Å; V171-F210 HydrophobicContact CG2-CE2 3.87Å; V171-F210 HydrophobicContact CG2-CZ 3.8Å; M193-F210 CarbonylContact C-O 3.55Å; M193-F210 WeakPolarHBondContact CA-O 3.48Å; V194-F210 HydrophobicContact CB-CB 4.12Å; V194-F210 HydrophobicContact CB-CD2 4.32Å; V194-F210 PolarHBondContact N-O 2.87Å; V194-F210 PolarHBondContact O-N 2.87Å; I208-F210 HydrophobicContact CG2-CD2 3.82Å; I208-F210 HydrophobicContact CG2-CE2 3.32Å; I208-F210 HydrophobicContact CG2-CZ 3.78Å; F210-T214 CarbonylContact C-O 3.44Å; F210-T214 WeakPolarHBondContact CA-O 3.43Å; F210-L215 HydrophobicContact CE1-CB 4.37Å; F210-L215 HydrophobicContact CE1-CD1 4.19Å; F210-L215 HydrophobicContact CZ-CD1 4.23Å
211K52.9Low54.2Low67 Ų6773.4 Ų73.429%0.29141%0.408SS..EExtended strand (participates in β ladder)trans-106.8116.6171.4-174.9-177.9176.4-176.30108.3Y192 M193 G213 T214Y192-K211 CarbonylContact O-C 3.58Å; Y192-K211 VanDerWaalsContact O-CA 3.31Å; Y192-K211 WeakPolarHBondContact O-CA 3.44Å; M193-K211 HydrophobicContact CE-CB 4.2Å; M193-K211 HydrophobicContact CE-CD 4.03Å; M193-K211 HydrophobicContact CE-CG 4.05Å; K211-G213 PolarHBondContact O-N 2.89Å; K211-T214 PolarHBondContact N-O 2.91Å; K211-T214 WeakPolarHBondContact O-CB 3.22Å; K211-T214 PolarHBondContact O-N 3.38Å
212N54.6Low55Low60 Ų6065 Ų6532%0.32137%0.365SS..THydrogen-bonded Turntrans54.335.9-178.1-54.2-17.4000114N191 Y192 T214N191-N212 VanDerWaalsContact C-OD1 3.3Å; N191-N212 WeakPolarHBondContact CA-OD1 3.25Å; N191-N212 PolarHBondContact OD1-ND2 3.09Å; Y192-N212 HydrophobicContact CE1-CB 4.44Å; Y192-N212 PolarHBondContact N-OD1 3.23Å; Y192-N212 PolarHBondContact O-N 3.25Å; Y192-N212 PolarHBondContact O-OD1 3.05Å; N212-T214 PolarHBondContact O-N 2.99Å
213G48Very low56Low33 Ų3362.3 Ų62.334%0.3433%0.329SS..THydrogen-bonded Turntrans75.13.4-174.500000115.1Y192 K211Y192-G213 PolarHBondContact OH-N 3.44Å; K211-G213 PolarHBondContact O-N 2.89Å
214T44.2Very low57Low83 Ų8357.1 Ų57.151%0.50931%0.313SS..EExtended strand (participates in β ladder)trans-96.8128.8172.5-50.90000110.3F210 K211 N212F210-T214 CarbonylContact C-O 3.44Å; F210-T214 WeakPolarHBondContact CA-O 3.43Å; K211-T214 PolarHBondContact N-O 2.91Å; K211-T214 WeakPolarHBondContact O-CB 3.22Å; K211-T214 PolarHBondContact O-N 3.38Å; N212-T214 PolarHBondContact O-N 2.99Å
215L45Very low57.7Low71 Ų7151.5 Ų51.537%0.37229%0.292SS..EExtended strand (participates in β ladder)trans-78.9115178175.461.5000110.7I208 F210I208-L215 HydrophobicContact CB-CD1 4.02Å; I208-L215 HydrophobicContact CD1-CD1 4.01Å; I208-L215 HydrophobicContact CG1-CD1 4.06Å; I208-L215 HydrophobicContact CG2-CD1 3.12Å; F210-L215 HydrophobicContact CE1-CB 4.37Å; F210-L215 HydrophobicContact CE1-CD1 4.19Å; F210-L215 HydrophobicContact CZ-CD1 4.23Å
216N54.6Low58.6Low52 Ų5249.3 Ų49.328%0.27828%0.278SS..EExtended strand (participates in β ladder)trans-120.2131173.9-74.1-2.3000110.3L209 E221L209-N216 VanDerWaalsContact CB-O 3.3Å; L209-N216 WeakPolarHBondContact CB-O 3.46Å; L209-N216 PolarHBondContact N-O 2.89Å; L209-N216 PolarHBondContact O-N 3.17Å; N216-E221 PolarHBondContact ND2-OE2 3.37Å
217G51.9Low59.8Low40 Ų4046.5 Ų46.541%0.41227%0.27SS..  trans-104.245.7174.500000113.1Y206Y206-G217 PolarHBondContact OH-O 3.42Å; Y206-G217 VanDerWaalsContact OH-O 3.07Å
218N61.6Low60.5Low73 Ų7353 Ų5339%0.3929%0.291SS..  trans-103.9114.1-175.6-168.4-9.5000112.5S220 E221 A222N218-S220 VanDerWaalsContact C-N 3.3Å; N218-S220 PolarHBondContact ND2-OG 3.36Å; N218-S220 PolarHBondContact O-N 3.03Å; N218-S220 PolarHBondContact OD1-N 3.21Å; N218-S220 VanDerWaalsContact OD1-N 3.15Å; N218-S220 PolarHBondContact OD1-OG 3.25Å; N218-E221 HydrophobicContact CB-CB 4.32Å; N218-E221 HydrophobicContact CB-CG 4.21Å; N218-E221 PolarHBondContact O-N 3.34Å; N218-A222 PolarHBondContact O-N 2.83Å; N218-A222 VanDerWaalsContact O-N 3.11Å
219H59.5Low61.1Low62 Ų6254.5 Ų54.529%0.28730%0.301SS..Hα-helixtrans-56.3-39.2179.9-159.597.7000112.9A222 K223 I249 E252H219-A222 PolarHBondContact O-N 3.44Å; H219-K223 PolarHBondContact O-N 3.09Å; H219-K223 VanDerWaalsContact O-N 3.09Å; H219-I249 WeakPolarHBondContact NE2-CG2 3.39Å; H219-E252 IonicContact CE1-OE2 2.78Å; H219-E252 PolarHBondContact CE1-OE2 3.46Å; H219-E252 IonicContact NE2-OE2 3.05Å
220S63.8Low61.8Low67 Ų6756 Ų5647%0.46931%0.309SS..Hα-helixtrans-70.9-35.2-178.666.10000112.9N218 A224N218-S220 VanDerWaalsContact C-N 3.3Å; N218-S220 PolarHBondContact ND2-OG 3.36Å; N218-S220 PolarHBondContact O-N 3.03Å; N218-S220 PolarHBondContact OD1-N 3.21Å; N218-S220 VanDerWaalsContact OD1-N 3.15Å; N218-S220 PolarHBondContact OD1-OG 3.25Å; S220-A224 PolarHBondContact O-N 3.26Å
221E65.3Low62.8Low67 Ų6758.5 Ų58.531%0.31333%0.33SS..Hα-helixtrans-71.2-40.8175.6-67.5-170.1167.500110.7L209 N216 N218 K223 A224 C225L209-E221 HydrophobicContact CD2-CB 4.26Å; N216-E221 PolarHBondContact ND2-OE2 3.37Å; N218-E221 HydrophobicContact CB-CB 4.32Å; N218-E221 HydrophobicContact CB-CG 4.21Å; N218-E221 PolarHBondContact O-N 3.34Å; E221-K223 VanDerWaalsContact C-N 3.35Å; E221-K223 PolarHBondContact O-N 3.43Å; E221-A224 PolarHBondContact O-N 3.42Å; E221-C225 PolarHBondContact O-N 2.86Å; E221-C225 VanDerWaalsContact O-N 3.15Å; E221-C225 PolarHBondContact O-SG 3.11Å
222A61.4Low63.4Low3 Ų362.2 Ų62.23%0.02535%0.347CS..Hα-helixtrans-59-45.1176.600000111.9N218 H219 C225 Y226N218-A222 PolarHBondContact O-N 2.83Å; N218-A222 VanDerWaalsContact O-N 3.11Å; H219-A222 PolarHBondContact O-N 3.44Å; A222-C225 PolarHBondContact O-N 2.94Å; A222-C225 VanDerWaalsContact O-N 3.16Å; A222-Y226 HydrophobicContact CB-CE2 4.32Å; A222-Y226 VanDerWaalsContact O-CD2 3.25Å; A222-Y226 WeakPolarHBondContact O-CD2 3.45Å; A222-Y226 PolarHBondContact O-N 3.42Å
223K72.6Confident63.5Low27 Ų2761.9 Ų61.912%0.11735%0.347CS..Hα-helixtrans-54.3-55.9175.1-174.4-175176.2-179.30112.4H219 E221 C225 Y226 E227 L246 I249 E253 E255H219-K223 PolarHBondContact O-N 3.09Å; H219-K223 VanDerWaalsContact O-N 3.09Å; E221-K223 VanDerWaalsContact C-N 3.35Å; E221-K223 PolarHBondContact O-N 3.43Å; K223-C225 PolarHBondContact O-N 3.03Å; K223-C225 VanDerWaalsContact O-N 3.1Å; K223-Y226 PolarHBondContact O-N 3.02Å; K223-Y226 VanDerWaalsContact O-N 3.15Å; K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.43Å; K223-E227 WeakPolarHBondContact O-CG 3.39Å; K223-E227 PolarHBondContact O-N 3.25Å; K223-L246 HydrophobicContact CG-CD1 3.98Å; K223-I249 HydrophobicContact CB-CD1 4.41Å; K223-I249 HydrophobicContact CB-CG2 3.95Å; K223-I249 HydrophobicContact CD-CG2 3.92Å; K223-I249 HydrophobicContact CG-CG2 3.83Å; K223-E253 WeakPolarHBondContact CD-OE2 3.44Å; K223-E253 VanDerWaalsContact CE-OE2 3.3Å; K223-E253 WeakPolarHBondContact CE-OE2 3.31Å; K223-E253 IonicContact NZ-OE2 3.93Å; K223-E253 PolarHBondContact NZ-OE2 3.01Å; K223-E255 IonicContact NZ-OE1 3.37Å; K223-E255 PolarHBondContact NZ-OE1 3.35Å
224A71.3Confident63.9Low50 Ų5065.2 Ų65.241%0.41336%0.36SS..Hα-helixtrans-57.5-30-179.200000111.9S220 E221 R228S220-A224 PolarHBondContact O-N 3.26Å; E221-A224 PolarHBondContact O-N 3.42Å; A224-R228 VanDerWaalsContact O-CB 3.24Å; A224-R228 WeakPolarHBondContact O-CB 3.43Å; A224-R228 PolarHBondContact O-N 3.23Å
225C67.6Low64.4Low31 Ų3168.5 Ų68.521%0.20938%0.375CS..Hα-helixtrans-78.7-40.1-179.9-64.10000112.7M193 E221 A222 K223 R228 T229M193-C225 WeakPolarHBondContact CE-SG 3.32Å; M193-C225 HydrophobicContact SD-CB 3.54Å; M193-C225 VanDerWaalsContact SD-CB 3.54Å; M193-C225 PolarHBondContact SD-SG 3.37Å; E221-C225 PolarHBondContact O-N 2.86Å; E221-C225 VanDerWaalsContact O-N 3.15Å; E221-C225 PolarHBondContact O-SG 3.11Å; A222-C225 PolarHBondContact O-N 2.94Å; A222-C225 VanDerWaalsContact O-N 3.16Å; K223-C225 PolarHBondContact O-N 3.03Å; K223-C225 VanDerWaalsContact O-N 3.1Å; C225-R228 PolarHBondContact O-N 3.3Å; C225-T229 PolarHBondContact O-N 2.86Å; C225-T229 PolarHBondContact O-OG1 3.39Å
226Y72.9Confident65.1Low31 Ų3167.2 Ų67.212%0.12238%0.375CS..Hα-helixtrans-64.4-43.6171.4-63.4-46.6000112A222 K223 R228 T229 I230 I242 R245 L246 I249A222-Y226 HydrophobicContact CB-CE2 4.32Å; A222-Y226 VanDerWaalsContact O-CD2 3.25Å; A222-Y226 WeakPolarHBondContact O-CD2 3.45Å; A222-Y226 PolarHBondContact O-N 3.42Å; K223-Y226 PolarHBondContact O-N 3.02Å; K223-Y226 VanDerWaalsContact O-N 3.15Å; Y226-R228 VanDerWaalsContact C-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.34Å; Y226-T229 PolarHBondContact O-N 2.99Å; Y226-T229 VanDerWaalsContact O-N 3.15Å; Y226-I230 WeakPolarHBondContact O-CG1 3.48Å; Y226-I230 PolarHBondContact O-N 2.89Å; Y226-I242 HydrophobicContact CD1-CB 4.5Å; Y226-I242 HydrophobicContact CD1-CG1 4.43Å; Y226-I242 HydrophobicContact CD1-CG2 3.98Å; Y226-I242 HydrophobicContact CG-CG2 4.39Å; Y226-R245 HydrophobicContact CD2-CB 4.34Å; Y226-R245 HydrophobicContact CE1-CB 4.46Å; Y226-R245 HydrophobicContact CE2-CB 3.71Å; Y226-L246 HydrophobicContact CD2-CB 4.42Å; Y226-L246 HydrophobicContact CG-CB 4.42Å; Y226-I249 HydrophobicContact CD2-CD1 3.73Å; Y226-I249 HydrophobicContact CE2-CD1 3.74Å
227E79.3Confident65.1Low67 Ų6770.1 Ų70.131%0.31340%0.399SS..Hα-helixtrans-56.6-47.4174.1-72.7176.4163.800111.2K223 T229 I230 S231 L246 Y250K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.43Å; K223-E227 WeakPolarHBondContact O-CG 3.39Å; K223-E227 PolarHBondContact O-N 3.25Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 3.47Å; E227-I230 PolarHBondContact O-N 3.33Å; E227-S231 PolarHBondContact O-N 3.26Å; E227-L246 HydrophobicContact CG-CD1 4.01Å; E227-L246 HydrophobicContact CG-CD2 4.16Å; E227-Y250 PolarHBondContact OE1-OH 3.01Å
228R74.3Confident65.7Low164 Ų16474.8 Ų74.862%0.61941%0.41SS*.Hα-helixtrans-58.9-44.3176.3-169.8171.4-177.71450.3111.2A224 C225 Y226 I230 S231 F232A224-R228 VanDerWaalsContact O-CB 3.24Å; A224-R228 WeakPolarHBondContact O-CB 3.43Å; A224-R228 PolarHBondContact O-N 3.23Å; C225-R228 PolarHBondContact O-N 3.3Å; Y226-R228 VanDerWaalsContact C-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.34Å; R228-I230 PolarHBondContact O-N 3.44Å; R228-S231 WeakPolarHBondContact O-CB 3.44Å; R228-S231 PolarHBondContact O-N 3.06Å; R228-S231 VanDerWaalsContact O-N 3.09Å; R228-S231 PolarHBondContact O-OG 3.03Å; R228-F232 HydrophobicContact CG-CD2 3.64Å; R228-F232 HydrophobicContact CG-CE2 3.53Å; R228-F232 VanDerWaalsContact O-CD2 3.26Å; R228-F232 WeakPolarHBondContact O-CD2 3.45Å; R228-F232 PolarHBondContact O-N 3.16Å
229T68.8Low66.1Low55 Ų5571.7 Ų71.734%0.33739%0.393SS..Hα-helixtrans-63.4-43.1-177.2-54.30000111.6C225 Y226 E227 S231 F232 V233 I242C225-T229 PolarHBondContact O-N 2.86Å; C225-T229 PolarHBondContact O-OG1 3.39Å; Y226-T229 PolarHBondContact O-N 2.99Å; Y226-T229 VanDerWaalsContact O-N 3.15Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 3.47Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 2.87Å; T229-F232 PolarHBondContact O-N 3.31Å; T229-V233 PolarHBondContact O-N 3.35Å; T229-I242 HydrophobicContact CG2-CD1 3.59Å
230I73.7Confident66.8Low40 Ų4070.4 Ų70.421%0.20539%0.387CS..Hα-helixtrans-63.6-34.6174.8-65.5170000111.4Y226 E227 R228 M239 I242 F243 L246Y226-I230 WeakPolarHBondContact O-CG1 3.48Å; Y226-I230 PolarHBondContact O-N 2.89Å; E227-I230 PolarHBondContact O-N 3.33Å; R228-I230 PolarHBondContact O-N 3.44Å; I230-M239 HydrophobicContact CG1-CE 4.05Å; I230-I242 HydrophobicContact CD1-CG2 4.12Å; I230-I242 HydrophobicContact CG1-CG2 3.89Å; I230-F243 HydrophobicContact CD1-CD1 3.69Å; I230-F243 HydrophobicContact CD1-CE1 3.6Å; I230-F243 HydrophobicContact CG1-CD1 4.28Å; I230-F243 HydrophobicContact CG1-CE1 3.79Å; I230-F243 HydrophobicContact CG1-CZ 4.38Å; I230-F243 HydrophobicContact CG2-CE1 4.15Å; I230-L246 HydrophobicContact CD1-CD2 3.39Å
231S75.3Confident67.2Low85 Ų8573.2 Ų73.259%0.59439%0.391SS*.Hα-helixtrans-70.3-28.3179.976.80000114.6E227 R228 T229E227-S231 PolarHBondContact O-N 3.26Å; R228-S231 WeakPolarHBondContact O-CB 3.44Å; R228-S231 PolarHBondContact O-N 3.06Å; R228-S231 VanDerWaalsContact O-N 3.09Å; R228-S231 PolarHBondContact O-OG 3.03Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 2.87Å
232F65.8Low67.6Low145 Ų14571.5 Ų71.564%0.63638%0.384SS*.Hα-helixtrans-96.6-27.7-175.9-80.7-75.8000113.5R228 T229R228-F232 HydrophobicContact CG-CD2 3.64Å; R228-F232 HydrophobicContact CG-CE2 3.53Å; R228-F232 VanDerWaalsContact O-CD2 3.26Å; R228-F232 WeakPolarHBondContact O-CD2 3.45Å; R228-F232 PolarHBondContact O-N 3.16Å; T229-F232 PolarHBondContact O-N 3.31Å
233V57.6Low68.7Low54 Ų5471.4 Ų71.433%0.32738%0.383SS..  trans-120.8102.7-164.5-168.40000111.1T229 A236T229-V233 PolarHBondContact O-N 3.35Å; V233-A236 HydrophobicContact CB-CB 4.49Å; V233-A236 HydrophobicContact CG1-CB 3.39Å
234V54.8Low68.8Low102 Ų10270.7 Ų70.762%0.61838%0.381SS*.SBendtrans-80.5-29.1178.8-1680000111.6R269V234-R269 PolarHBondContact O-NH1 3.06Å; V234-R269 PolarHBondContact O-NH2 3.48Å
235D55.2Low69.2Low153 Ų15370.4 Ų70.482%0.81837%0.369SS*.  trans-129.634.8-168.7-73.6-28.7000115.4
236A59.6Low69.9Low44 Ų4469.1 Ų69.136%0.36436%0.36SS..  trans-72.1133168.500000110.4V233 E238 M239V233-A236 HydrophobicContact CB-CB 4.49Å; V233-A236 HydrophobicContact CG1-CB 3.39Å; A236-E238 PolarHBondContact O-N 3.04Å; A236-M239 HydrophobicContact CB-CG 3.66Å; A236-M239 HydrophobicContact CB-SD 4.21Å
237S54.4Low70.6Confident113 Ų11367.6 Ų67.679%0.7935%0.354SS*.THydrogen-bonded Turntrans-67.6-19.5-177.555.80000113.9
238E64.1Low70.8Confident137 Ų13767.4 Ų67.464%0.6436%0.355SS*.THydrogen-bonded Turntrans-127.152.8-172.8-63.3-57.5142.600113A236A236-E238 PolarHBondContact O-N 3.04Å
239M71.6Confident71.2Confident9 Ų960 Ų604%0.04433%0.327CS..  trans-84.7-5.7178.6-65.4-173.877.500114.6I230 A236 F241 I242 F243 R269I230-M239 HydrophobicContact CG1-CE 4.05Å; A236-M239 HydrophobicContact CB-CG 3.66Å; A236-M239 HydrophobicContact CB-SD 4.21Å; M239-F241 VanDerWaalsContact C-N 3.35Å; M239-F241 PolarHBondContact O-N 2.94Å; M239-I242 PolarHBondContact O-N 2.85Å; M239-I242 VanDerWaalsContact O-N 3.07Å; M239-F243 HydrophobicContact CB-CD2 3.86Å; M239-F243 HydrophobicContact CB-CE2 3.42Å; M239-F243 VanDerWaalsContact CB-CE2 3.42Å; M239-F243 HydrophobicContact CB-CZ 4.3Å; M239-F243 HydrophobicContact CE-CE1 4.35Å; M239-F243 HydrophobicContact CE-CE2 3.88Å; M239-F243 HydrophobicContact CE-CZ 3.53Å; M239-F243 HydrophobicContact CG-CE2 4.35Å; M239-F243 WeakPolarHBondContact O-CD2 3.24Å; M239-F243 PolarHBondContact O-N 2.98Å; M239-F243 VanDerWaalsContact O-N 3.12Å; M239-F243 HydrophobicContact SD-CE2 4.1Å; M239-F243 HydrophobicContact SD-CZ 4.17Å; M239-R269 PolarHBondContact SD-NH1 3.48Å
240H73Confident72.3Confident34 Ų3458.2 Ų58.216%0.15731%0.314CS..Hα-helixtrans-51.7-51.6-174.3178.377.7000112.2I242 F243 L244 S270 S272 T275H240-I242 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 3.32Å; H240-F243 PolarHBondContact O-N 3.4Å; H240-L244 WeakPolarHBondContact O-CB 3.45Å; H240-L244 PolarHBondContact O-N 3.5Å; H240-S270 PolarHBondContact CE1-O 2.8Å; H240-S270 VanDerWaalsContact ND1-CB 3.34Å; H240-S270 WeakPolarHBondContact ND1-CB 3.49Å; H240-S270 PolarHBondContact ND1-O 2.7Å; H240-S270 VanDerWaalsContact ND1-O 3.11Å; H240-S270 PolarHBondContact ND1-OG 2.81Å; H240-S272 PolarHBondContact CE1-OG 3.24Å; H240-T275 VanDerWaalsContact CE1-CG2 3.45Å; H240-T275 WeakPolarHBondContact CE1-CG2 3.42Å
241F72.4Confident73Confident126 Ų12657.3 Ų57.355%0.55331%0.31SS*.Hα-helixtrans-63.7-38.3-179.8-66.9-72.4000112.3M239 F243 L244 R245M239-F241 VanDerWaalsContact C-N 3.35Å; M239-F241 PolarHBondContact O-N 2.94Å; F241-F243 PolarHBondContact O-N 3.11Å; F241-L244 PolarHBondContact O-N 3.31Å; F241-R245 WeakPolarHBondContact O-CB 3.45Å; F241-R245 WeakPolarHBondContact O-CG 3.35Å; F241-R245 PolarHBondContact O-N 2.86Å
242I74.8Confident73.5Confident32 Ų3257 Ų5716%0.16430%0.299CS..Hα-helixtrans-61.9-48.5179.9-63.7163000110.5Y226 T229 I230 M239 H240 R245 L246Y226-I242 HydrophobicContact CD1-CB 4.5Å; Y226-I242 HydrophobicContact CD1-CG1 4.43Å; Y226-I242 HydrophobicContact CD1-CG2 3.98Å; Y226-I242 HydrophobicContact CG-CG2 4.39Å; T229-I242 HydrophobicContact CG2-CD1 3.59Å; I230-I242 HydrophobicContact CD1-CG2 4.12Å; I230-I242 HydrophobicContact CG1-CG2 3.89Å; M239-I242 PolarHBondContact O-N 2.85Å; M239-I242 VanDerWaalsContact O-N 3.07Å; H240-I242 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 3.32Å; I242-R245 PolarHBondContact O-N 2.9Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.24Å; I242-L246 PolarHBondContact O-N 3.44Å
243F83.1Confident74.7Confident0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-64.8-42178.3-66.1-64.4000112I230 M239 H240 F241 R245 G247 T262 Q265 A266I230-F243 HydrophobicContact CD1-CD1 3.69Å; I230-F243 HydrophobicContact CD1-CE1 3.6Å; I230-F243 HydrophobicContact CG1-CD1 4.28Å; I230-F243 HydrophobicContact CG1-CE1 3.79Å; I230-F243 HydrophobicContact CG1-CZ 4.38Å; I230-F243 HydrophobicContact CG2-CE1 4.15Å; M239-F243 HydrophobicContact CB-CD2 3.86Å; M239-F243 HydrophobicContact CB-CE2 3.42Å; M239-F243 VanDerWaalsContact CB-CE2 3.42Å; M239-F243 HydrophobicContact CB-CZ 4.3Å; M239-F243 HydrophobicContact CE-CE1 4.35Å; M239-F243 HydrophobicContact CE-CE2 3.88Å; M239-F243 HydrophobicContact CE-CZ 3.53Å; M239-F243 HydrophobicContact CG-CE2 4.35Å; M239-F243 WeakPolarHBondContact O-CD2 3.24Å; M239-F243 PolarHBondContact O-N 2.98Å; M239-F243 VanDerWaalsContact O-N 3.12Å; M239-F243 HydrophobicContact SD-CE2 4.1Å; M239-F243 HydrophobicContact SD-CZ 4.17Å; H240-F243 PolarHBondContact O-N 3.4Å; F241-F243 PolarHBondContact O-N 3.11Å; F243-R245 PolarHBondContact O-N 3.49Å; F243-G247 PolarHBondContact O-N 2.91Å; F243-T262 HydrophobicContact CB-CG2 4.23Å; F243-T262 HydrophobicContact CD1-CG2 3.97Å; F243-T262 WeakPolarHBondContact O-CG2 3.38Å; F243-Q265 HydrophobicContact CD1-CB 4.32Å; F243-Q265 HydrophobicContact CD1-CG 4.32Å; F243-Q265 HydrophobicContact CE1-CB 4.08Å; F243-Q265 HydrophobicContact CE1-CG 3.65Å; F243-Q265 HydrophobicContact CE2-CG 4.25Å; F243-Q265 HydrophobicContact CZ-CB 4.47Å; F243-Q265 HydrophobicContact CZ-CG 3.63Å; F243-Q265 VanDerWaalsContact CZ-NE2 3.27Å; F243-A266 HydrophobicContact CB-CB 3.55Å; F243-A266 HydrophobicContact CG-CB 4.23Å
244L76Confident76.4Confident13 Ų1358.1 Ų58.17%0.06830%0.3CS..Hα-helixtrans-61.8-43.6179.4-171.1120.2000111.8H240 F241 L248 Y263 L274 T275H240-L244 WeakPolarHBondContact O-CB 3.45Å; H240-L244 PolarHBondContact O-N 3.5Å; F241-L244 PolarHBondContact O-N 3.31Å; L244-L248 WeakPolarHBondContact O-CB 3.26Å; L244-L248 PolarHBondContact O-N 3.33Å; L244-L248 VanDerWaalsContact O-N 3.16Å; L244-Y263 PolarHBondContact O-OH 3.48Å; L244-L274 HydrophobicContact CD1-CB 3.58Å; L244-L274 HydrophobicContact CD1-CD1 4.39Å; L244-T275 HydrophobicContact CD1-CG2 3.96Å
245R78Confident78.4Confident44 Ų4456.1 Ų56.117%0.16628%0.284CS..Hα-helixtrans-72.8-44.8179.7-62.7-46.2174.4-163.98112.4Q197 D205 Y226 F241 I242 F243 G247 L248 I249Q197-R245 VanDerWaalsContact CD-CZ 3.43Å; Q197-R245 VanDerWaalsContact OE1-NH1 3.13Å; D205-R245 IonicContact OD2-CZ 3.14Å; D205-R245 IonicContact OD2-NH1 2.64Å; D205-R245 IonicContact OD2-NH2 3.46Å; Y226-R245 HydrophobicContact CD2-CB 4.34Å; Y226-R245 HydrophobicContact CE1-CB 4.46Å; Y226-R245 HydrophobicContact CE2-CB 3.71Å; F241-R245 WeakPolarHBondContact O-CB 3.45Å; F241-R245 WeakPolarHBondContact O-CG 3.35Å; F241-R245 PolarHBondContact O-N 2.86Å; I242-R245 PolarHBondContact O-N 2.9Å; F243-R245 PolarHBondContact O-N 3.49Å; R245-G247 VanDerWaalsContact C-N 3.33Å; R245-G247 PolarHBondContact O-N 3.36Å; R245-L248 PolarHBondContact O-N 2.76Å; R245-I249 WeakPolarHBondContact O-CG1 2.97Å; R245-I249 PolarHBondContact O-N 2.93Å
246L83Confident80.4Confident3 Ų351.5 Ų51.52%0.01626%0.256CS..Hα-helixtrans-64.7-40177.7-179.160.4000111.8K223 Y226 E227 I230 I242 L248 I249 Y250 T262K223-L246 HydrophobicContact CG-CD1 3.98Å; Y226-L246 HydrophobicContact CD2-CB 4.42Å; Y226-L246 HydrophobicContact CG-CB 4.42Å; E227-L246 HydrophobicContact CG-CD1 4.01Å; E227-L246 HydrophobicContact CG-CD2 4.16Å; I230-L246 HydrophobicContact CD1-CD2 3.39Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.24Å; I242-L246 PolarHBondContact O-N 3.44Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.33Å; L246-I249 PolarHBondContact O-N 3.02Å; L246-Y250 HydrophobicContact CD1-CD2 4.09Å; L246-Y250 HydrophobicContact CD1-CE1 4.46Å; L246-Y250 HydrophobicContact CD1-CE2 3.63Å; L246-Y250 HydrophobicContact CD2-CE2 3.79Å; L246-Y250 HydrophobicContact CG-CD2 3.86Å; L246-Y250 HydrophobicContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact O-CD2 3.26Å; L246-Y250 WeakPolarHBondContact O-CD2 3.49Å; L246-Y250 PolarHBondContact O-N 3.42Å; L246-T262 HydrophobicContact CB-CG2 4.1Å; L246-T262 HydrophobicContact CD2-CG2 4.2Å; L246-T262 HydrophobicContact CG-CG2 4.19Å
247G88.1Confident82.3Confident0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-59.1-42.6174.500000112F243 R245 Y250 L251 Y263F243-G247 PolarHBondContact O-N 2.91Å; R245-G247 VanDerWaalsContact C-N 3.33Å; R245-G247 PolarHBondContact O-N 3.36Å; G247-Y250 PolarHBondContact O-N 3.41Å; G247-L251 WeakPolarHBondContact O-CG 3.31Å; G247-L251 PolarHBondContact O-N 3.41Å; G247-Y263 VanDerWaalsContact CA-CE2 3.45Å
248L83.1Confident84.2Confident63 Ų6352.6 Ų52.633%0.3324%0.24SC..Hα-helixtrans-64-45.5177.8179.463.2000111.5L244 R245 L246 Y250 L251 E252 Y263L244-L248 WeakPolarHBondContact O-CB 3.26Å; L244-L248 PolarHBondContact O-N 3.33Å; L244-L248 VanDerWaalsContact O-N 3.16Å; R245-L248 PolarHBondContact O-N 2.76Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.33Å; L248-Y250 VanDerWaalsContact C-N 3.3Å; L248-Y250 PolarHBondContact O-N 3.34Å; L248-L251 WeakPolarHBondContact O-CB 3.35Å; L248-L251 PolarHBondContact O-N 3.11Å; L248-L251 VanDerWaalsContact O-N 3.08Å; L248-E252 HydrophobicContact CD1-CG 4.42Å; L248-E252 WeakPolarHBondContact O-CG 3.13Å; L248-E252 PolarHBondContact O-N 3.4Å; L248-Y263 WeakPolarHBondContact CA-OH 3.5Å; L248-Y263 PolarHBondContact N-OH 3.3Å
249I82Confident85.8Confident9 Ų946.1 Ų46.15%0.04621%0.209CC..Hα-helixtrans-56-47.4175.5-70169.2000110.5H219 K223 Y226 R245 L246 L251 E252 E253H219-I249 WeakPolarHBondContact NE2-CG2 3.39Å; K223-I249 HydrophobicContact CB-CD1 4.41Å; K223-I249 HydrophobicContact CB-CG2 3.95Å; K223-I249 HydrophobicContact CD-CG2 3.92Å; K223-I249 HydrophobicContact CG-CG2 3.83Å; Y226-I249 HydrophobicContact CD2-CD1 3.73Å; Y226-I249 HydrophobicContact CE2-CD1 3.74Å; R245-I249 WeakPolarHBondContact O-CG1 2.97Å; R245-I249 PolarHBondContact O-N 2.93Å; L246-I249 PolarHBondContact O-N 3.02Å; I249-L251 VanDerWaalsContact C-N 3.31Å; I249-L251 PolarHBondContact O-N 3.25Å; I249-E252 PolarHBondContact O-N 3.06Å; I249-E253 WeakPolarHBondContact O-CB 3.19Å; I249-E253 WeakPolarHBondContact O-CG 3.45Å; I249-E253 PolarHBondContact O-N 3.14Å
250Y92.6Very high87.1Confident17 Ų1747.3 Ų47.37%0.06721%0.214CC..Hα-helixtrans-63.4-34.8177.1-73-47.7000113.1E227 L246 G247 L248 K254 E255 K258E227-Y250 PolarHBondContact OE1-OH 3.01Å; L246-Y250 HydrophobicContact CD1-CD2 4.09Å; L246-Y250 HydrophobicContact CD1-CE1 4.46Å; L246-Y250 HydrophobicContact CD1-CE2 3.63Å; L246-Y250 HydrophobicContact CD2-CE2 3.79Å; L246-Y250 HydrophobicContact CG-CD2 3.86Å; L246-Y250 HydrophobicContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact O-CD2 3.26Å; L246-Y250 WeakPolarHBondContact O-CD2 3.49Å; L246-Y250 PolarHBondContact O-N 3.42Å; G247-Y250 PolarHBondContact O-N 3.41Å; L248-Y250 VanDerWaalsContact C-N 3.3Å; L248-Y250 PolarHBondContact O-N 3.34Å; Y250-K254 PolarHBondContact O-N 3.41Å; Y250-K254 VanDerWaalsContact O-N 3.15Å; Y250-E255 HydrophobicContact CD1-CB 3.9Å; Y250-E255 HydrophobicContact CG-CB 4.46Å; Y250-E255 WeakPolarHBondContact O-CA 3.33Å; Y250-E255 PolarHBondContact O-N 3.48Å; Y250-K258 HydrophobicContact CD1-CB 3.8Å; Y250-K258 HydrophobicContact CD1-CD 3.98Å; Y250-K258 HydrophobicContact CD2-CB 3.7Å; Y250-K258 HydrophobicContact CE1-CB 3.78Å; Y250-K258 HydrophobicContact CE1-CD 3.33Å; Y250-K258 HydrophobicContact CE1-CG 4.24Å; Y250-K258 HydrophobicContact CE2-CB 3.71Å; Y250-K258 HydrophobicContact CE2-CD 4.4Å; Y250-K258 HydrophobicContact CG-CB 3.74Å
251L88.9Confident88.2Confident21 Ų2152.3 Ų52.311%0.1124%0.236CC..Hα-helixtrans-64.3-44.5173.2-73.6177.9000111.7G247 L248 I249 K254 Y256 A259 Y263 I281 A282G247-L251 WeakPolarHBondContact O-CG 3.31Å; G247-L251 PolarHBondContact O-N 3.41Å; L248-L251 WeakPolarHBondContact O-CB 3.35Å; L248-L251 PolarHBondContact O-N 3.11Å; L248-L251 VanDerWaalsContact O-N 3.08Å; I249-L251 VanDerWaalsContact C-N 3.31Å; I249-L251 PolarHBondContact O-N 3.25Å; L251-K254 PolarHBondContact O-N 2.9Å; L251-K254 VanDerWaalsContact O-N 3.1Å; L251-Y256 HydrophobicContact CD2-CD1 3.98Å; L251-Y256 HydrophobicContact CD2-CE1 4.49Å; L251-A259 HydrophobicContact CD2-CB 3.73Å; L251-A259 HydrophobicContact CG-CB 3.88Å; L251-Y263 HydrophobicContact CD1-CE2 3.73Å; L251-Y263 HydrophobicContact CG-CE2 4.13Å; L251-I281 HydrophobicContact CD1-CB 4.16Å; L251-I281 HydrophobicContact CD1-CG2 3.96Å; L251-I281 HydrophobicContact CD2-CG2 3.96Å; L251-A282 HydrophobicContact CD2-CB 3.9Å
252E86.3Confident89.1Confident78 Ų7847 Ų4736%0.36421%0.213SC..Hα-helixtrans-66.3-38.7-179.7-69.4-173.2151.900112K204 H219 L248 I249 K254K204-E252 IonicContact NZ-OE1 3.32Å; K204-E252 PolarHBondContact NZ-OE1 2.95Å; H219-E252 IonicContact CE1-OE2 2.78Å; H219-E252 PolarHBondContact CE1-OE2 3.46Å; H219-E252 IonicContact NE2-OE2 3.05Å; L248-E252 HydrophobicContact CD1-CG 4.42Å; L248-E252 WeakPolarHBondContact O-CG 3.13Å; L248-E252 PolarHBondContact O-N 3.4Å; I249-E252 PolarHBondContact O-N 3.06Å; E252-K254 PolarHBondContact O-N 3.22Å
253E89.7Confident90.1Very high73 Ų7345.9 Ų45.934%0.34121%0.207SC..THydrogen-bonded Turntrans-792.1174-66.9-176.7158.700113.5K223 I249 E255K223-E253 WeakPolarHBondContact CD-OE2 3.44Å; K223-E253 VanDerWaalsContact CE-OE2 3.3Å; K223-E253 WeakPolarHBondContact CE-OE2 3.31Å; K223-E253 IonicContact NZ-OE2 3.93Å; K223-E253 PolarHBondContact NZ-OE2 3.01Å; I249-E253 WeakPolarHBondContact O-CB 3.19Å; I249-E253 WeakPolarHBondContact O-CG 3.45Å; I249-E253 PolarHBondContact O-N 3.14Å; E253-E255 HydrophobicContact CB-CG 4.39Å; E253-E255 PolarHBondContact O-N 3.32Å
254K94.4Very high90.7Very high149 Ų14949.5 Ų49.565%0.64823%0.225SC*.THydrogen-bonded Turntrans61.921.2-179.4-48.3-176179-179.90114.4Y250 L251 E252 Y256Y250-K254 PolarHBondContact O-N 3.41Å; Y250-K254 VanDerWaalsContact O-N 3.15Å; L251-K254 PolarHBondContact O-N 2.9Å; L251-K254 VanDerWaalsContact O-N 3.1Å; E252-K254 PolarHBondContact O-N 3.22Å; K254-Y256 HydrophobicContact CB-CE1 4.17Å; K254-Y256 HydrophobicContact CB-CE2 3.99Å; K254-Y256 WeakPolarHBondContact CG-OH 3.34Å; K254-Y256 WeakPolarHBondContact O-CD2 3.23Å; K254-Y256 PolarHBondContact O-N 2.8Å; K254-Y256 VanDerWaalsContact O-N 3.08Å
255E96.1Very high91.3Very high60 Ų6052 Ų5228%0.2824%0.236SC..  trans-84.160.2172.7-65-159.1-117.600111.1K223 Y250 E253 E257 K258 A259K223-E255 IonicContact NZ-OE1 3.37Å; K223-E255 PolarHBondContact NZ-OE1 3.35Å; Y250-E255 HydrophobicContact CD1-CB 3.9Å; Y250-E255 HydrophobicContact CG-CB 4.46Å; Y250-E255 WeakPolarHBondContact O-CA 3.33Å; Y250-E255 PolarHBondContact O-N 3.48Å; E253-E255 HydrophobicContact CB-CG 4.39Å; E253-E255 PolarHBondContact O-N 3.32Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E255-K258 HydrophobicContact CB-CB 4.41Å; E255-K258 PolarHBondContact O-N 3.41Å; E255-K258 IonicContact OE1-NZ 2.66Å; E255-K258 WeakPolarHBondContact OE2-CD 3.2Å; E255-K258 WeakPolarHBondContact OE2-CE 3.11Å; E255-K258 IonicContact OE2-NZ 3.56Å; E255-K258 PolarHBondContact OE2-NZ 2.72Å; E255-A259 PolarHBondContact O-N 2.93Å
256Y97.6Very high91.8Very high56 Ų5650 Ų5022%0.2223%0.229CC..Hα-helixtrans-60-34.4-167.7-52.4-55.2000114.4L251 K254 K258 A259 K260 R285L251-Y256 HydrophobicContact CD2-CD1 3.98Å; L251-Y256 HydrophobicContact CD2-CE1 4.49Å; K254-Y256 HydrophobicContact CB-CE1 4.17Å; K254-Y256 HydrophobicContact CB-CE2 3.99Å; K254-Y256 WeakPolarHBondContact CG-OH 3.34Å; K254-Y256 WeakPolarHBondContact O-CD2 3.23Å; K254-Y256 PolarHBondContact O-N 2.8Å; K254-Y256 VanDerWaalsContact O-N 3.08Å; Y256-K258 VanDerWaalsContact C-N 3.35Å; Y256-K258 PolarHBondContact O-N 2.99Å; Y256-A259 WeakPolarHBondContact O-CB 3.39Å; Y256-A259 PolarHBondContact O-N 2.88Å; Y256-K260 WeakPolarHBondContact O-CB 3.19Å; Y256-K260 PolarHBondContact O-N 3.43Å; Y256-R285 HydrophobicContact CD1-CB 3.67Å; Y256-R285 HydrophobicContact CD1-CG 4.11Å; Y256-R285 HydrophobicContact CD2-CB 3.85Å; Y256-R285 HydrophobicContact CE1-CB 3.71Å; Y256-R285 HydrophobicContact CE1-CG 3.78Å; Y256-R285 HydrophobicContact CE2-CB 3.88Å; Y256-R285 HydrophobicContact CG-CB 3.75Å
257E98.1Very high92.3Very high96 Ų9650.2 Ų50.245%0.44923%0.231SC..Hα-helixtrans-62.8-39.8175.4-81.3-66.6177.500113E255 K261 L286E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E257-K261 WeakPolarHBondContact O-CG 3.06Å; E257-K261 PolarHBondContact O-N 3.43Å; E257-L286 HydrophobicContact CG-CD1 4.48Å; E257-L286 HydrophobicContact CG-CD2 4.01Å
258K96.1Very high92.4Very high85 Ų8558.4 Ų58.437%0.3727%0.266SS..Hα-helixtrans-72-42.3175.9-65.9-171.4-173163.70110.2Y250 E255 Y256 K260 K261 T262Y250-K258 HydrophobicContact CD1-CB 3.8Å; Y250-K258 HydrophobicContact CD1-CD 3.98Å; Y250-K258 HydrophobicContact CD2-CB 3.7Å; Y250-K258 HydrophobicContact CE1-CB 3.78Å; Y250-K258 HydrophobicContact CE1-CD 3.33Å; Y250-K258 HydrophobicContact CE1-CG 4.24Å; Y250-K258 HydrophobicContact CE2-CB 3.71Å; Y250-K258 HydrophobicContact CE2-CD 4.4Å; Y250-K258 HydrophobicContact CG-CB 3.74Å; E255-K258 HydrophobicContact CB-CB 4.41Å; E255-K258 PolarHBondContact O-N 3.41Å; E255-K258 IonicContact OE1-NZ 2.66Å; E255-K258 WeakPolarHBondContact OE2-CD 3.2Å; E255-K258 WeakPolarHBondContact OE2-CE 3.11Å; E255-K258 IonicContact OE2-NZ 3.56Å; E255-K258 PolarHBondContact OE2-NZ 2.72Å; Y256-K258 VanDerWaalsContact C-N 3.35Å; Y256-K258 PolarHBondContact O-N 2.99Å; K258-K260 PolarHBondContact O-N 3.1Å; K258-K261 PolarHBondContact O-N 3.01Å; K258-T262 WeakPolarHBondContact O-CB 3.29Å; K258-T262 PolarHBondContact O-N 3.04Å; K258-T262 PolarHBondContact O-OG1 3.17Å
259A96.9Very high92.5Very high0 Ų060.5 Ų60.50%027%0.27CS..Hα-helixtrans-54.7-50.1174.400000111.6L251 E255 Y256 K261 T262 Y263 A282L251-A259 HydrophobicContact CD2-CB 3.73Å; L251-A259 HydrophobicContact CG-CB 3.88Å; E255-A259 PolarHBondContact O-N 2.93Å; Y256-A259 WeakPolarHBondContact O-CB 3.39Å; Y256-A259 PolarHBondContact O-N 2.88Å; A259-K261 PolarHBondContact O-N 3.01Å; A259-T262 PolarHBondContact O-N 3.15Å; A259-Y263 HydrophobicContact CB-CD2 4.44Å; A259-Y263 VanDerWaalsContact O-CD2 3.26Å; A259-Y263 WeakPolarHBondContact O-CD2 3.32Å; A259-Y263 PolarHBondContact O-N 3.16Å; A259-A282 HydrophobicContact CB-CB 4.07Å
260K98.1Very high92.5Very high34 Ų3462.2 Ų62.215%0.14828%0.282CS..Hα-helixtrans-54.1-52.4177178.6175.8173.9175.60111.1Y256 K258 T262 Y263 M264 L279 A282 L286 E288Y256-K260 WeakPolarHBondContact O-CB 3.19Å; Y256-K260 PolarHBondContact O-N 3.43Å; K258-K260 PolarHBondContact O-N 3.1Å; K260-T262 VanDerWaalsContact C-N 3.35Å; K260-T262 PolarHBondContact O-N 3Å; K260-Y263 PolarHBondContact O-N 2.96Å; K260-M264 HydrophobicContact CG-CG 4.46Å; K260-M264 HydrophobicContact CG-SD 4.21Å; K260-M264 WeakPolarHBondContact O-CB 3.39Å; K260-M264 VanDerWaalsContact O-CG 3.25Å; K260-M264 WeakPolarHBondContact O-CG 3.22Å; K260-M264 PolarHBondContact O-N 3.15Å; K260-L279 HydrophobicContact CB-CD1 4.42Å; K260-L279 HydrophobicContact CG-CD1 3.78Å; K260-A282 HydrophobicContact CB-CB 3.96Å; K260-L286 HydrophobicContact CB-CD1 4.27Å; K260-L286 HydrophobicContact CD-CD1 3.87Å; K260-E288 WeakPolarHBondContact CD-OE2 3.37Å; K260-E288 WeakPolarHBondContact CE-OE2 3.43Å; K260-E288 IonicContact NZ-OE1 2.7Å; K260-E288 PolarHBondContact NZ-OE1 3.31Å; K260-E288 IonicContact NZ-OE2 3.56Å; K260-E288 PolarHBondContact NZ-OE2 3.22Å
261K96.3Very high92.3Very high140 Ų14065 Ų6561%0.60930%0.303SS*.Hα-helixtrans-59.2-44.2179.3-71.5173.7-172.2175.10112.4E257 K258 A259 Q265E257-K261 WeakPolarHBondContact O-CG 3.06Å; E257-K261 PolarHBondContact O-N 3.43Å; K258-K261 PolarHBondContact O-N 3.01Å; A259-K261 PolarHBondContact O-N 3.01Å; K261-Q265 PolarHBondContact O-N 3.24Å
262T92.4Very high92.2Very high13 Ų1365.3 Ų65.38%0.0831%0.307CS..Hα-helixtrans-65.1-46.9179.4-590000111.6F243 L246 K258 A259 K260 Q265 A266F243-T262 HydrophobicContact CB-CG2 4.23Å; F243-T262 HydrophobicContact CD1-CG2 3.97Å; F243-T262 WeakPolarHBondContact O-CG2 3.38Å; L246-T262 HydrophobicContact CB-CG2 4.1Å; L246-T262 HydrophobicContact CD2-CG2 4.2Å; L246-T262 HydrophobicContact CG-CG2 4.19Å; K258-T262 WeakPolarHBondContact O-CB 3.29Å; K258-T262 PolarHBondContact O-N 3.04Å; K258-T262 PolarHBondContact O-OG1 3.17Å; A259-T262 PolarHBondContact O-N 3.15Å; K260-T262 VanDerWaalsContact C-N 3.35Å; K260-T262 PolarHBondContact O-N 3Å; T262-Q265 PolarHBondContact O-N 3.18Å; T262-A266 PolarHBondContact O-N 3.36Å
263Y95.3Very high92.3Very high9 Ų962.2 Ų62.24%0.03529%0.294CS..Hα-helixtrans-68.1-35.2177.7-78.1-62.8000112.9L244 G247 L248 L251 A259 K260 Q265 A266 C267 G278L244-Y263 PolarHBondContact O-OH 3.48Å; G247-Y263 VanDerWaalsContact CA-CE2 3.45Å; L248-Y263 WeakPolarHBondContact CA-OH 3.5Å; L248-Y263 PolarHBondContact N-OH 3.3Å; L251-Y263 HydrophobicContact CD1-CE2 3.73Å; L251-Y263 HydrophobicContact CG-CE2 4.13Å; A259-Y263 HydrophobicContact CB-CD2 4.44Å; A259-Y263 VanDerWaalsContact O-CD2 3.26Å; A259-Y263 WeakPolarHBondContact O-CD2 3.32Å; A259-Y263 PolarHBondContact O-N 3.16Å; K260-Y263 PolarHBondContact O-N 2.96Å; Y263-Q265 VanDerWaalsContact C-N 3.27Å; Y263-Q265 PolarHBondContact O-N 2.9Å; Y263-A266 CarbonylContact O-C 3.48Å; Y263-A266 WeakPolarHBondContact O-CA 3.44Å; Y263-A266 VanDerWaalsContact O-CB 3.26Å; Y263-A266 WeakPolarHBondContact O-CB 3.43Å; Y263-A266 PolarHBondContact O-N 2.87Å; Y263-A266 VanDerWaalsContact O-N 3.07Å; Y263-C267 PolarHBondContact O-N 2.93Å; Y263-C267 PolarHBondContact O-SG 2.74Å; Y263-G278 WeakPolarHBondContact CD2-O 3.17Å
264M95.2Very high92.2Very high77 Ų7763.1 Ų63.138%0.37930%0.3SS..Hα-helixtrans-58.6-40.6171.8-77-176.873.900111.9K260 A266 K268 L279K260-M264 HydrophobicContact CG-CG 4.46Å; K260-M264 HydrophobicContact CG-SD 4.21Å; K260-M264 WeakPolarHBondContact O-CB 3.39Å; K260-M264 VanDerWaalsContact O-CG 3.25Å; K260-M264 WeakPolarHBondContact O-CG 3.22Å; K260-M264 PolarHBondContact O-N 3.15Å; M264-A266 VanDerWaalsContact C-N 3.35Å; M264-K268 WeakPolarHBondContact O-CG 3.2Å; M264-K268 PolarHBondContact O-N 3.46Å; M264-L279 HydrophobicContact CG-CD1 3.61Å; M264-L279 HydrophobicContact CG-CD2 4.01Å
265Q89.9Confident91.9Very high66 Ų6656 Ų5631%0.30827%0.269SS..Hα-helixtrans-67.6-37.9174.7-170.1172.4-2.400111.5F243 K261 T262 Y263 K268 R269F243-Q265 HydrophobicContact CD1-CB 4.32Å; F243-Q265 HydrophobicContact CD1-CG 4.32Å; F243-Q265 HydrophobicContact CE1-CB 4.08Å; F243-Q265 HydrophobicContact CE1-CG 3.65Å; F243-Q265 HydrophobicContact CE2-CG 4.25Å; F243-Q265 HydrophobicContact CZ-CB 4.47Å; F243-Q265 HydrophobicContact CZ-CG 3.63Å; F243-Q265 VanDerWaalsContact CZ-NE2 3.27Å; K261-Q265 PolarHBondContact O-N 3.24Å; T262-Q265 PolarHBondContact O-N 3.18Å; Y263-Q265 VanDerWaalsContact C-N 3.27Å; Y263-Q265 PolarHBondContact O-N 2.9Å; Q265-K268 PolarHBondContact O-N 3.03Å; Q265-R269 PolarHBondContact O-N 3.34Å
266A88.7Confident92Very high1 Ų155.9 Ų55.91%0.00827%0.266CS..Hα-helixtrans-59.5-52.4174.100000111.5F243 T262 Y263 M264 K268 R269 S270 T275F243-A266 HydrophobicContact CB-CB 3.55Å; F243-A266 HydrophobicContact CG-CB 4.23Å; T262-A266 PolarHBondContact O-N 3.36Å; Y263-A266 CarbonylContact O-C 3.48Å; Y263-A266 WeakPolarHBondContact O-CA 3.44Å; Y263-A266 VanDerWaalsContact O-CB 3.26Å; Y263-A266 WeakPolarHBondContact O-CB 3.43Å; Y263-A266 PolarHBondContact O-N 2.87Å; Y263-A266 VanDerWaalsContact O-N 3.07Å; M264-A266 VanDerWaalsContact C-N 3.35Å; A266-K268 VanDerWaalsContact C-N 3.28Å; A266-K268 PolarHBondContact O-N 3.3Å; A266-R269 PolarHBondContact O-N 2.82Å; A266-R269 VanDerWaalsContact O-N 3.11Å; A266-S270 CarbonylContact O-C 3.55Å; A266-S270 PolarHBondContact O-N 3.07Å; A266-T275 HydrophobicContact CB-CG2 3.68Å
267C92.8Very high91.9Very high8 Ų853.5 Ų53.55%0.05426%0.257CS..Hα-helixtrans-60-36.2-179.5-66.50000112.6Y263 P271 T275 W276Y263-C267 PolarHBondContact O-N 2.93Å; Y263-C267 PolarHBondContact O-SG 2.74Å; C267-P271 WeakPolarHBondContact O-CB 3.49Å; C267-P271 WeakPolarHBondContact O-CD 3.38Å; C267-T275 VanDerWaalsContact SG-C 3.56Å; C267-W276 HydrophobicContact CB-CD2 4.08Å; C267-W276 HydrophobicContact CB-CE3 4.25Å; C267-W276 HydrophobicContact CB-CH2 3.91Å; C267-W276 HydrophobicContact CB-CZ2 3.72Å; C267-W276 HydrophobicContact CB-CZ3 4.17Å
268K90.3Very high91.8Very high171 Ų17149 Ų4974%0.74324%0.237SC*.Hα-helixtrans-68.7-34176.9-75177.6-177.6-177.90113.4M264 Q265 A266M264-K268 WeakPolarHBondContact O-CG 3.2Å; M264-K268 PolarHBondContact O-N 3.46Å; Q265-K268 PolarHBondContact O-N 3.03Å; A266-K268 VanDerWaalsContact C-N 3.28Å; A266-K268 PolarHBondContact O-N 3.3Å
269R84.1Confident91.9Very high107 Ų10745.7 Ų45.740%0.40422%0.223SC..Hα-helixtrans-93.8-43.5-173.9-71.4-177.3173.1-138.9-4.6112.6V234 M239 Q265 A266V234-R269 PolarHBondContact O-NH1 3.06Å; V234-R269 PolarHBondContact O-NH2 3.48Å; M239-R269 PolarHBondContact SD-NH1 3.48Å; Q265-R269 PolarHBondContact O-N 3.34Å; A266-R269 PolarHBondContact O-N 2.82Å; A266-R269 VanDerWaalsContact O-N 3.11Å
270S82.8Confident91.9Very high45 Ų4545.7 Ų45.732%0.31522%0.223SC..SBendtrans-150.179.9-174.5-177.80000108.8H240 A266 S272H240-S270 PolarHBondContact CE1-O 2.8Å; H240-S270 VanDerWaalsContact ND1-CB 3.34Å; H240-S270 WeakPolarHBondContact ND1-CB 3.49Å; H240-S270 PolarHBondContact ND1-O 2.7Å; H240-S270 VanDerWaalsContact ND1-O 3.11Å; H240-S270 PolarHBondContact ND1-OG 2.81Å; A266-S270 CarbonylContact O-C 3.55Å; A266-S270 PolarHBondContact O-N 3.07Å; S270-S272 PolarHBondContact O-N 2.76Å
271P88.6Confident91.9Very high76 Ų7644.7 Ų44.749%0.49422%0.219SC..  trans-66.9131-179.626.3-32.4000110.8C267C267-P271 WeakPolarHBondContact O-CB 3.49Å; C267-P271 WeakPolarHBondContact O-CD 3.38Å
272S87.1Confident92Very high27 Ų2738 Ų3819%0.18919%0.19CC..  trans-142.8165.6171.180.30000110.2H240 S270 L274 T275 W276 L302H240-S272 PolarHBondContact CE1-OG 3.24Å; S270-S272 PolarHBondContact O-N 2.76Å; S272-L274 PolarHBondContact O-N 2.74Å; S272-L274 PolarHBondContact OG-N 3.26Å; S272-T275 PolarHBondContact N-OG1 3.11Å; S272-T275 PolarHBondContact O-N 3.44Å; S272-T275 PolarHBondContact O-OG1 2.97Å; S272-T275 PolarHBondContact OG-N 3.33Å; S272-W276 VanDerWaalsContact O-CD1 3.26Å; S272-W276 PolarHBondContact O-N 2.92Å; S272-W276 VanDerWaalsContact O-N 3.11Å; S272-L302 VanDerWaalsContact C-CD1 3.44Å
273C88.8Confident92.3Very high14 Ų1437.5 Ų37.510%0.09519%0.187CC..Hα-helixtrans-50.9-42.2173172.50000111.4L277 A299 L302 N303C273-L277 WeakPolarHBondContact O-CB 3.46Å; C273-L277 PolarHBondContact O-N 3.21Å; C273-A299 PolarHBondContact SG-O 3.22Å; C273-A299 VanDerWaalsContact SG-O 3.42Å; C273-L302 HydrophobicContact CB-CB 4.15Å; C273-N303 HydrophobicContact CB-CB 3.67Å
274L87Confident92.5Very high91 Ų9137.3 Ų37.348%0.47619%0.186SC..Hα-helixtrans-73.3-34.4-176.8-61.6177.9000113.3L244 S272 L277 G278L244-L274 HydrophobicContact CD1-CB 3.58Å; L244-L274 HydrophobicContact CD1-CD1 4.39Å; S272-L274 PolarHBondContact O-N 2.74Å; S272-L274 PolarHBondContact OG-N 3.26Å; L274-L277 HydrophobicContact CD2-CD2 4.46Å; L274-G278 PolarHBondContact O-N 3.47Å
275T88.7Confident92.6Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-69.4-40.9176.558.70000111.2H240 L244 A266 C267 S272 G278 L279H240-T275 VanDerWaalsContact CE1-CG2 3.45Å; H240-T275 WeakPolarHBondContact CE1-CG2 3.42Å; L244-T275 HydrophobicContact CD1-CG2 3.96Å; A266-T275 HydrophobicContact CB-CG2 3.68Å; C267-T275 VanDerWaalsContact SG-C 3.56Å; S272-T275 PolarHBondContact N-OG1 3.11Å; S272-T275 PolarHBondContact O-N 3.44Å; S272-T275 PolarHBondContact O-OG1 2.97Å; S272-T275 PolarHBondContact OG-N 3.33Å; T275-G278 PolarHBondContact O-N 3.31Å; T275-L279 PolarHBondContact O-N 2.95Å
276W96.9Very high93Very high58 Ų5835.7 Ų35.722%0.2218%0.177CC..Hα-helixtrans-70.3-38.5176.6-76.9116.3000112.3C267 S272 L279 G280 A295 E298 A299 L302C267-W276 HydrophobicContact CB-CD2 4.08Å; C267-W276 HydrophobicContact CB-CE3 4.25Å; C267-W276 HydrophobicContact CB-CH2 3.91Å; C267-W276 HydrophobicContact CB-CZ2 3.72Å; C267-W276 HydrophobicContact CB-CZ3 4.17Å; S272-W276 VanDerWaalsContact O-CD1 3.26Å; S272-W276 PolarHBondContact O-N 2.92Å; S272-W276 VanDerWaalsContact O-N 3.11Å; W276-L279 HydrophobicContact CE3-CD2 3.83Å; W276-L279 HydrophobicContact CZ3-CD2 3.65Å; W276-L279 PolarHBondContact O-N 3.32Å; W276-G280 PolarHBondContact O-N 3.49Å; W276-A295 WeakPolarHBondContact CB-O 3.34Å; W276-A295 HydrophobicContact CE3-CB 4.02Å; W276-A295 HydrophobicContact CZ3-CB 4.49Å; W276-E298 HydrophobicContact CB-CB 4.34Å; W276-E298 HydrophobicContact CD2-CB 3.68Å; W276-E298 HydrophobicContact CD2-CG 4.34Å; W276-E298 HydrophobicContact CE3-CB 4.07Å; W276-E298 HydrophobicContact CE3-CG 4.43Å; W276-E298 HydrophobicContact CG-CB 3.82Å; W276-E298 HydrophobicContact CZ2-CG 4.42Å; W276-A299 HydrophobicContact CB-CB 3.68Å; W276-L302 VanDerWaalsContact CD1-CD1 3.47Å
277L96.7Very high93.5Very high5 Ų541.2 Ų41.23%0.02620%0.202CC..Hα-helixtrans-58-52.1170.6173.759.1000110.4C273 L274 L279 G280 I281 L296 A299 E308 V309 Y312C273-L277 WeakPolarHBondContact O-CB 3.46Å; C273-L277 PolarHBondContact O-N 3.21Å; L274-L277 HydrophobicContact CD2-CD2 4.46Å; L277-L279 VanDerWaalsContact C-N 3.29Å; L277-L279 PolarHBondContact O-N 2.89Å; L277-G280 WeakPolarHBondContact O-CA 3.43Å; L277-G280 PolarHBondContact O-N 3.14Å; L277-I281 HydrophobicContact CD1-CD1 3.84Å; L277-I281 HydrophobicContact CD1-CG1 3.96Å; L277-I281 HydrophobicContact CG-CD1 3.87Å; L277-I281 HydrophobicContact CG-CG1 4.38Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 3.12Å; L277-L296 HydrophobicContact CD1-CD2 3.83Å; L277-A299 HydrophobicContact CB-CB 4.3Å; L277-E308 HydrophobicContact CD1-CG 4.43Å; L277-E308 HydrophobicContact CD2-CB 4.13Å; L277-E308 HydrophobicContact CD2-CG 4.18Å; L277-V309 HydrophobicContact CB-CG2 4.15Å; L277-V309 HydrophobicContact CD1-CG2 3.9Å; L277-V309 HydrophobicContact CD2-CG2 4.13Å; L277-V309 HydrophobicContact CG-CG2 4.28Å; L277-Y312 HydrophobicContact CD1-CD2 4.13Å
278G94.3Very high93.7Very high3 Ų343.2 Ų43.23%0.03121%0.211CC..Hα-helixtrans-57.8-39.7178.500000113.4Y263 L274 T275 A282Y263-G278 WeakPolarHBondContact CD2-O 3.17Å; L274-G278 PolarHBondContact O-N 3.47Å; T275-G278 PolarHBondContact O-N 3.31Å; G278-A282 WeakPolarHBondContact O-CB 3.4Å; G278-A282 PolarHBondContact O-N 2.81Å
279L98.3Very high94.1Very high14 Ų1437 Ų377%0.07319%0.185CC..Hα-helixtrans-63-47.1172.5-17856.1000111.8K260 M264 T275 W276 L277 I281 A282 C283 A295K260-L279 HydrophobicContact CB-CD1 4.42Å; K260-L279 HydrophobicContact CG-CD1 3.78Å; M264-L279 HydrophobicContact CG-CD1 3.61Å; M264-L279 HydrophobicContact CG-CD2 4.01Å; T275-L279 PolarHBondContact O-N 2.95Å; W276-L279 HydrophobicContact CE3-CD2 3.83Å; W276-L279 HydrophobicContact CZ3-CD2 3.65Å; W276-L279 PolarHBondContact O-N 3.32Å; L277-L279 VanDerWaalsContact C-N 3.29Å; L277-L279 PolarHBondContact O-N 2.89Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.3Å; L279-A282 PolarHBondContact O-N 2.88Å; L279-C283 PolarHBondContact O-N 2.87Å; L279-C283 PolarHBondContact O-SG 3.37Å; L279-A295 HydrophobicContact CB-CB 4.17Å; L279-A295 HydrophobicContact CD2-CB 4.12Å; L279-A295 HydrophobicContact CG-CB 3.94Å
280G98.4Very high94.7Very high0 Ų036.3 Ų36.30%019%0.193CC..Hα-helixtrans-60.3-41.2178.400000113W276 L277 C283 Y284W276-G280 PolarHBondContact O-N 3.49Å; L277-G280 WeakPolarHBondContact O-CA 3.43Å; L277-G280 PolarHBondContact O-N 3.14Å; G280-C283 PolarHBondContact O-N 3.35Å; G280-Y284 VanDerWaalsContact O-CB 3.32Å; G280-Y284 WeakPolarHBondContact O-CB 3.28Å; G280-Y284 PolarHBondContact O-N 3.37Å
281I98.3Very high95.4Very high13 Ų1338.6 Ų38.67%0.06720%0.199CC..Hα-helixtrans-61.9-47.8173.9-62.9173.1000110.2L251 L277 L279 C283 Y284 R285 Y312L251-I281 HydrophobicContact CD1-CB 4.16Å; L251-I281 HydrophobicContact CD1-CG2 3.96Å; L251-I281 HydrophobicContact CD2-CG2 3.96Å; L277-I281 HydrophobicContact CD1-CD1 3.84Å; L277-I281 HydrophobicContact CD1-CG1 3.96Å; L277-I281 HydrophobicContact CG-CD1 3.87Å; L277-I281 HydrophobicContact CG-CG1 4.38Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 3.12Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.3Å; I281-C283 PolarHBondContact O-N 3.06Å; I281-Y284 PolarHBondContact O-N 2.66Å; I281-R285 HydrophobicContact CG2-CG 4.29Å; I281-R285 VanDerWaalsContact O-CG 3.28Å; I281-R285 WeakPolarHBondContact O-CG 3.12Å; I281-R285 PolarHBondContact O-N 3.09Å; I281-Y312 HydrophobicContact CB-CE1 4.25Å; I281-Y312 HydrophobicContact CD1-CD2 4.03Å; I281-Y312 HydrophobicContact CD1-CE2 3.48Å; I281-Y312 VanDerWaalsContact CD1-CE2 3.48Å; I281-Y312 HydrophobicContact CG1-CD1 4.06Å; I281-Y312 HydrophobicContact CG1-CD2 3.71Å; I281-Y312 HydrophobicContact CG1-CE1 3.82Å; I281-Y312 HydrophobicContact CG1-CE2 3.46Å; I281-Y312 VanDerWaalsContact CG1-CE2 3.46Å; I281-Y312 HydrophobicContact CG1-CG 4.01Å; I281-Y312 HydrophobicContact CG2-CE1 3.92Å
282A98.4Very high95.9Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-59.2-47.8179.400000111.6L251 A259 K260 G278 L279 R285 L286L251-A282 HydrophobicContact CD2-CB 3.9Å; A259-A282 HydrophobicContact CB-CB 4.07Å; K260-A282 HydrophobicContact CB-CB 3.96Å; G278-A282 WeakPolarHBondContact O-CB 3.4Å; G278-A282 PolarHBondContact O-N 2.81Å; L279-A282 PolarHBondContact O-N 2.88Å; A282-R285 PolarHBondContact O-N 3.37Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.46Å; A282-L286 PolarHBondContact O-N 3.19Å; A282-L286 VanDerWaalsContact O-N 3.08Å
283C98.6Very high96.4Very high2 Ų236.1 Ų36.11%0.01418%0.178CC..Hα-helixtrans-62.5-43176.6-64.50000112L279 G280 I281 R285 L286 E287 E288 E291 A292L279-C283 PolarHBondContact O-N 2.87Å; L279-C283 PolarHBondContact O-SG 3.37Å; G280-C283 PolarHBondContact O-N 3.35Å; I281-C283 PolarHBondContact O-N 3.06Å; C283-R285 PolarHBondContact O-N 3.35Å; C283-L286 CarbonylContact O-C 3.59Å; C283-L286 PolarHBondContact O-N 3.44Å; C283-L286 VanDerWaalsContact O-N 3.12Å; C283-E287 PolarHBondContact O-N 2.7Å; C283-E288 HydrophobicContact CB-CB 4.25Å; C283-E288 PolarHBondContact O-N 3.05Å; C283-E291 HydrophobicContact CB-CB 4.19Å; C283-A292 HydrophobicContact CB-CB 3.75Å
284Y98.6Very high96.9Very high5 Ų540.3 Ų40.32%0.0220%0.199CC..Hα-helixtrans-60.1-44.9177.5174.8-90.2000111.8G280 I281 L286 E287 L289 Y312 L315 V316 K319G280-Y284 VanDerWaalsContact O-CB 3.32Å; G280-Y284 WeakPolarHBondContact O-CB 3.28Å; G280-Y284 PolarHBondContact O-N 3.37Å; I281-Y284 PolarHBondContact O-N 2.66Å; Y284-L286 PolarHBondContact O-N 3.38Å; Y284-E287 PolarHBondContact O-N 2.77Å; Y284-L289 HydrophobicContact CD2-CD2 4.1Å; Y284-L289 HydrophobicContact CE2-CD2 4.35Å; Y284-Y312 HydrophobicContact CD1-CD1 4.24Å; Y284-Y312 HydrophobicContact CD1-CE1 4.22Å; Y284-Y312 HydrophobicContact CG-CD1 4.31Å; Y284-L315 HydrophobicContact CD2-CB 4.36Å; Y284-L315 HydrophobicContact CE1-CD1 4.04Å; Y284-L315 HydrophobicContact CE2-CB 3.57Å; Y284-V316 HydrophobicContact CD2-CG2 3.7Å; Y284-V316 HydrophobicContact CE2-CG2 4.36Å; Y284-K319 HydrophobicContact CE2-CD 3.72Å; Y284-K319 HydrophobicContact CE2-CG 4.37Å; Y284-K319 WeakPolarHBondContact OH-CE 3.26Å
285R98Very high97.4Very high64 Ų6436.1 Ų36.124%0.24218%0.178CC..Hα-helixtrans-69-21.4178.3-64-64.4-171-122.44.8112.8Y256 I281 A282 C283 E287 Y312 E346Y256-R285 HydrophobicContact CD1-CB 3.67Å; Y256-R285 HydrophobicContact CD1-CG 4.11Å; Y256-R285 HydrophobicContact CD2-CB 3.85Å; Y256-R285 HydrophobicContact CE1-CB 3.71Å; Y256-R285 HydrophobicContact CE1-CG 3.78Å; Y256-R285 HydrophobicContact CE2-CB 3.88Å; Y256-R285 HydrophobicContact CG-CB 3.75Å; I281-R285 HydrophobicContact CG2-CG 4.29Å; I281-R285 VanDerWaalsContact O-CG 3.28Å; I281-R285 WeakPolarHBondContact O-CG 3.12Å; I281-R285 PolarHBondContact O-N 3.09Å; A282-R285 PolarHBondContact O-N 3.37Å; C283-R285 PolarHBondContact O-N 3.35Å; R285-E287 VanDerWaalsContact C-N 3.32Å; R285-Y312 PolarHBondContact NH2-OH 2.82Å; R285-Y312 VanDerWaalsContact NH2-OH 3.16Å; R285-E346 IonicContact CZ-OE1 2.72Å; R285-E346 IonicContact CZ-OE2 2.65Å; R285-E346 VanDerWaalsContact NH1-CD 3.29Å; R285-E346 IonicContact NH1-OE1 2.8Å; R285-E346 PolarHBondContact NH1-OE1 3.05Å; R285-E346 IonicContact NH1-OE2 3.87Å; R285-E346 PolarHBondContact NH1-OE2 3.4Å; R285-E346 IonicContact NH2-OE1 3.45Å; R285-E346 IonicContact NH2-OE2 2.68Å; R285-E346 PolarHBondContact NH2-OE2 3.08Å
286L98.3Very high97.9Very high46 Ų4636.1 Ų36.124%0.24118%0.178CC..THydrogen-bonded Turntrans-85.30.9171.2-70.2169.1000113.5E257 K260 A282 C283 Y284 E288E257-L286 HydrophobicContact CG-CD1 4.48Å; E257-L286 HydrophobicContact CG-CD2 4.01Å; K260-L286 HydrophobicContact CB-CD1 4.27Å; K260-L286 HydrophobicContact CD-CD1 3.87Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.46Å; A282-L286 PolarHBondContact O-N 3.19Å; A282-L286 VanDerWaalsContact O-N 3.08Å; C283-L286 CarbonylContact O-C 3.59Å; C283-L286 PolarHBondContact O-N 3.44Å; C283-L286 VanDerWaalsContact O-N 3.12Å; Y284-L286 PolarHBondContact O-N 3.38Å; L286-E288 HydrophobicContact CB-CG 4Å; L286-E288 PolarHBondContact O-N 3.41Å
287E97.8Very high97.9Very high117 Ų11735.9 Ų35.955%0.54719%0.185SC..THydrogen-bonded Turntrans6319.2-173.6-55.2-66.5164.500114.4C283 Y284 R285 L289 K319C283-E287 PolarHBondContact O-N 2.7Å; Y284-E287 PolarHBondContact O-N 2.77Å; R285-E287 VanDerWaalsContact C-N 3.32Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; E287-L289 VanDerWaalsContact O-N 3.13Å; E287-K319 IonicContact OE1-NZ 3.87Å; E287-K319 PolarHBondContact OE1-NZ 2.94Å; E287-K319 IonicContact OE2-NZ 3.22Å; E287-K319 PolarHBondContact OE2-NZ 3.41Å
288E98.1Very high98Very high50 Ų5040.3 Ų40.323%0.23421%0.206CC..  trans-87.871.7175-62.1173.2147.400109.4K260 C283 L286 T290 E291 A292K260-E288 WeakPolarHBondContact CD-OE2 3.37Å; K260-E288 WeakPolarHBondContact CE-OE2 3.43Å; K260-E288 IonicContact NZ-OE1 2.7Å; K260-E288 PolarHBondContact NZ-OE1 3.31Å; K260-E288 IonicContact NZ-OE2 3.56Å; K260-E288 PolarHBondContact NZ-OE2 3.22Å; C283-E288 HydrophobicContact CB-CB 4.25Å; C283-E288 PolarHBondContact O-N 3.05Å; L286-E288 HydrophobicContact CB-CG 4Å; L286-E288 PolarHBondContact O-N 3.41Å; E288-T290 VanDerWaalsContact C-N 3.32Å; E288-T290 PolarHBondContact O-N 3.15Å; E288-E291 HydrophobicContact CB-CB 4.4Å; E288-E291 PolarHBondContact O-N 3.43Å; E288-A292 WeakPolarHBondContact O-CB 3.42Å; E288-A292 PolarHBondContact O-N 3.19Å
289L97.9Very high98.1Very high39 Ų3940.2 Ų40.220%0.20420%0.204CC..Hα-helixtrans-65-32.2-167-59.8-179.7000113.8Y284 E287 E293 K319 V320Y284-L289 HydrophobicContact CD2-CD2 4.1Å; Y284-L289 HydrophobicContact CE2-CD2 4.35Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; E287-L289 VanDerWaalsContact O-N 3.13Å; L289-E293 WeakPolarHBondContact O-CB 3.49Å; L289-E293 PolarHBondContact O-N 3.12Å; L289-K319 HydrophobicContact CD1-CB 3.8Å; L289-K319 HydrophobicContact CD1-CD 4.44Å; L289-K319 HydrophobicContact CD2-CB 4.3Å; L289-K319 HydrophobicContact CD2-CD 3.87Å; L289-V320 HydrophobicContact CB-CG2 4.22Å; L289-V320 HydrophobicContact CD1-CG2 3.93Å
290T97.8Very high98Very high94 Ų9441.1 Ų41.158%0.57721%0.209SC*.Hα-helixtrans-69-49.2178.8-56.80000110.9E288 A292 E293 D294E288-T290 VanDerWaalsContact C-N 3.32Å; E288-T290 PolarHBondContact O-N 3.15Å; T290-A292 VanDerWaalsContact C-N 3.29Å; T290-A292 PolarHBondContact O-N 2.86Å; T290-E293 WeakPolarHBondContact O-CB 3.25Å; T290-E293 PolarHBondContact O-N 3.4Å; T290-D294 PolarHBondContact O-N 3.43Å
291E97.8Very high97.9Very high92 Ų9245.2 Ų45.243%0.4324%0.243SC..Hα-helixtrans-65.8-33.9177.3-68.182170.600112.1C283 E288 A295C283-E291 HydrophobicContact CB-CB 4.19Å; E288-E291 HydrophobicContact CB-CB 4.4Å; E288-E291 PolarHBondContact O-N 3.43Å; E291-A295 WeakPolarHBondContact O-CB 3.36Å; E291-A295 PolarHBondContact O-N 3.3Å
292A98.6Very high97.4Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-62.7-46.6173.200000111C283 E288 T290 A295 L296 V316C283-A292 HydrophobicContact CB-CB 3.75Å; E288-A292 WeakPolarHBondContact O-CB 3.42Å; E288-A292 PolarHBondContact O-N 3.19Å; T290-A292 VanDerWaalsContact C-N 3.29Å; T290-A292 PolarHBondContact O-N 2.86Å; A292-A295 PolarHBondContact O-N 2.86Å; A292-L296 WeakPolarHBondContact O-CB 3.26Å; A292-L296 WeakPolarHBondContact O-CD1 3.49Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 2.83Å; A292-V316 HydrophobicContact CB-CG2 4.07Å
293E98.1Very high96.9Very high52 Ų5251.9 Ų51.924%0.24328%0.278CS..Hα-helixtrans-60.3-47.3177.1-178.1166.7-164.400112.4L289 T290 A295 L296 S297 V316 R322L289-E293 WeakPolarHBondContact O-CB 3.49Å; L289-E293 PolarHBondContact O-N 3.12Å; T290-E293 WeakPolarHBondContact O-CB 3.25Å; T290-E293 PolarHBondContact O-N 3.4Å; E293-A295 PolarHBondContact O-N 2.8Å; E293-L296 PolarHBondContact O-N 3.11Å; E293-S297 VanDerWaalsContact O-CB 3.3Å; E293-S297 WeakPolarHBondContact O-CB 3.21Å; E293-S297 PolarHBondContact O-N 3.45Å; E293-S297 PolarHBondContact O-OG 2.94Å; E293-V316 HydrophobicContact CB-CG1 4.1Å; E293-R322 IonicContact OE1-CZ 2.72Å; E293-R322 IonicContact OE1-NH1 2.79Å; E293-R322 PolarHBondContact OE1-NH1 3.49Å; E293-R322 IonicContact OE1-NH2 3.62Å; E293-R322 PolarHBondContact OE1-NH2 2.81Å; E293-R322 IonicContact OE2-CZ 3.53Å; E293-R322 IonicContact OE2-NH1 3.63Å; E293-R322 PolarHBondContact OE2-NH1 3.07Å; E293-R322 IonicContact OE2-NH2 3.9Å; E293-R322 PolarHBondContact OE2-NH2 3.41Å
294D98.2Very high96.6Very high101 Ų10155.9 Ų55.954%0.5430%0.299SS..Hα-helixtrans-59.1-49179.2-72.2-18.2000110.5T290 L296 S297 E298T290-D294 PolarHBondContact O-N 3.43Å; D294-L296 PolarHBondContact O-N 3.29Å; D294-S297 PolarHBondContact O-N 3.35Å; D294-E298 PolarHBondContact O-N 3.24Å; D294-E298 VanDerWaalsContact O-N 3.11Å
295A98.3Very high96.2Very high3 Ų364 Ų643%0.02533%0.331CS..Hα-helixtrans-64.5-41.7179.500000112.6W276 L279 E291 A292 E293 S297 E298 A299W276-A295 WeakPolarHBondContact CB-O 3.34Å; W276-A295 HydrophobicContact CE3-CB 4.02Å; W276-A295 HydrophobicContact CZ3-CB 4.49Å; L279-A295 HydrophobicContact CB-CB 4.17Å; L279-A295 HydrophobicContact CD2-CB 4.12Å; L279-A295 HydrophobicContact CG-CB 3.94Å; E291-A295 WeakPolarHBondContact O-CB 3.36Å; E291-A295 PolarHBondContact O-N 3.3Å; A292-A295 PolarHBondContact O-N 2.86Å; E293-A295 PolarHBondContact O-N 2.8Å; A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.96Å; A295-E298 PolarHBondContact O-N 2.97Å; A295-A299 PolarHBondContact O-N 3.4Å
296L98.4Very high95.7Very high0 Ų062.2 Ų62.20%033%0.327CS..Hα-helixtrans-69.5-31.5178-69.4165.6000112.3L277 A292 E293 D294 A299 N300 L313 V316L277-L296 HydrophobicContact CD1-CD2 3.83Å; A292-L296 WeakPolarHBondContact O-CB 3.26Å; A292-L296 WeakPolarHBondContact O-CD1 3.49Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 2.83Å; E293-L296 PolarHBondContact O-N 3.11Å; D294-L296 PolarHBondContact O-N 3.29Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.11Å; L296-N300 WeakPolarHBondContact O-CB 3.39Å; L296-N300 PolarHBondContact O-N 3.23Å; L296-L313 HydrophobicContact CB-CD2 3.5Å; L296-L313 HydrophobicContact CB-CG 3.88Å; L296-L313 HydrophobicContact CD1-CD2 4.23Å; L296-L313 HydrophobicContact CD1-CG 4.44Å; L296-V316 HydrophobicContact CD1-CG2 3.87Å
297S97.9Very high95.5Very high53 Ų5360.6 Ų60.637%0.37132%0.32SS..Hα-helixtrans-65.6-43.2174.3-62.10000111.2E293 D294 A295 N300 A301E293-S297 VanDerWaalsContact O-CB 3.3Å; E293-S297 WeakPolarHBondContact O-CB 3.21Å; E293-S297 PolarHBondContact O-N 3.45Å; E293-S297 PolarHBondContact O-OG 2.94Å; D294-S297 PolarHBondContact O-N 3.35Å; A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.96Å; S297-N300 PolarHBondContact O-N 2.81Å; S297-A301 WeakPolarHBondContact O-CB 3.39Å; S297-A301 PolarHBondContact O-N 3.11Å
298E98.1Very high95.3Very high99 Ų9958 Ų5846%0.46331%0.307SS..Hα-helixtrans-61.9-42.4171.4-68.6-61.7147.300111.8W276 D294 A295 N300 A301 L302W276-E298 HydrophobicContact CB-CB 4.34Å; W276-E298 HydrophobicContact CD2-CB 3.68Å; W276-E298 HydrophobicContact CD2-CG 4.34Å; W276-E298 HydrophobicContact CE3-CB 4.07Å; W276-E298 HydrophobicContact CE3-CG 4.43Å; W276-E298 HydrophobicContact CG-CB 3.82Å; W276-E298 HydrophobicContact CZ2-CG 4.42Å; D294-E298 PolarHBondContact O-N 3.24Å; D294-E298 VanDerWaalsContact O-N 3.11Å; A295-E298 PolarHBondContact O-N 2.97Å; E298-N300 VanDerWaalsContact C-N 3.31Å; E298-N300 PolarHBondContact O-N 2.92Å; E298-A301 PolarHBondContact O-N 3.05Å; E298-L302 WeakPolarHBondContact O-CG 3.4Å; E298-L302 PolarHBondContact O-N 3.01Å; E298-L302 VanDerWaalsContact O-N 3.12Å
299A96.1Very high95.3Very high0 Ų055.6 Ų55.60%030%0.296CS..Hα-helixtrans-59.9-42.6176.200000112.1C273 W276 L277 A295 L296 L302 N303 V309C273-A299 PolarHBondContact SG-O 3.22Å; C273-A299 VanDerWaalsContact SG-O 3.42Å; W276-A299 HydrophobicContact CB-CB 3.68Å; L277-A299 HydrophobicContact CB-CB 4.3Å; A295-A299 PolarHBondContact O-N 3.4Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.11Å; A299-L302 PolarHBondContact O-N 3.48Å; A299-N303 PolarHBondContact O-N 3.11Å; A299-V309 HydrophobicContact CB-CG1 4.08Å; A299-V309 HydrophobicContact CB-CG2 3.87Å
300N96.4Very high95.3Very high34 Ų3455.3 Ų55.318%0.18229%0.292CS..Hα-helixtrans-69.5-37.8178.9-170.939.5000112.1L296 S297 E298 L302 N303 N304 V309 W310 L313L296-N300 WeakPolarHBondContact O-CB 3.39Å; L296-N300 PolarHBondContact O-N 3.23Å; S297-N300 PolarHBondContact O-N 2.81Å; E298-N300 VanDerWaalsContact C-N 3.31Å; E298-N300 PolarHBondContact O-N 2.92Å; N300-L302 VanDerWaalsContact C-N 3.27Å; N300-L302 PolarHBondContact O-N 2.99Å; N300-N303 CarbonylContact O-C 3.52Å; N300-N303 VanDerWaalsContact O-C 3.28Å; N300-N303 PolarHBondContact O-N 2.83Å; N300-N304 WeakPolarHBondContact O-CA 3.04Å; N300-N304 PolarHBondContact O-N 2.89Å; N300-N304 VanDerWaalsContact O-N 3.11Å; N300-N304 WeakPolarHBondContact OD1-CA 3.37Å; N300-V309 HydrophobicContact CB-CG1 3.79Å; N300-W310 WeakPolarHBondContact OD1-CZ2 3.28Å; N300-L313 HydrophobicContact CB-CD1 4.27Å
301A96.6Very high95.3Very high85 Ų8550.8 Ų50.870%0.70227%0.265SS*.Hα-helixtrans-61.9-36.2175.200000111.9S297 E298S297-A301 WeakPolarHBondContact O-CB 3.39Å; S297-A301 PolarHBondContact O-N 3.11Å; E298-A301 PolarHBondContact O-N 3.05Å
302L87.9Confident95.3Very high93 Ų9347 Ų4749%0.48725%0.247SC..Hα-helixtrans-78.2-37.1177.3-68.2171.5000113.4S272 C273 W276 E298 A299 N300S272-L302 VanDerWaalsContact C-CD1 3.44Å; C273-L302 HydrophobicContact CB-CB 4.15Å; W276-L302 VanDerWaalsContact CD1-CD1 3.47Å; E298-L302 WeakPolarHBondContact O-CG 3.4Å; E298-L302 PolarHBondContact O-N 3.01Å; E298-L302 VanDerWaalsContact O-N 3.12Å; A299-L302 PolarHBondContact O-N 3.48Å; N300-L302 VanDerWaalsContact C-N 3.27Å; N300-L302 PolarHBondContact O-N 2.99Å
303N87Confident95.3Very high61 Ų6147.9 Ų47.933%0.32625%0.251SS..  trans-151.2100.5174.3178.39.7000111.3C273 A299 N300 Y305 N306C273-N303 HydrophobicContact CB-CB 3.67Å; A299-N303 PolarHBondContact O-N 3.11Å; N300-N303 CarbonylContact O-C 3.52Å; N300-N303 VanDerWaalsContact O-C 3.28Å; N300-N303 PolarHBondContact O-N 2.83Å; N303-Y305 PolarHBondContact O-N 3.46Å; N303-Y305 WeakPolarHBondContact OD1-CA 3.48Å; N303-Y305 WeakPolarHBondContact OD1-CB 3.36Å; N303-Y305 PolarHBondContact OD1-N 3.37Å; N303-N306 PolarHBondContact O-N 3.05Å
304N92.8Very high95.3Very high85 Ų8545.5 Ų45.546%0.45524%0.24SC..THydrogen-bonded Turntrans-80.41178.564.2-1.4000114.4N300 W310N300-N304 WeakPolarHBondContact O-CA 3.04Å; N300-N304 PolarHBondContact O-N 2.89Å; N300-N304 VanDerWaalsContact O-N 3.11Å; N300-N304 WeakPolarHBondContact OD1-CA 3.37Å; N304-W310 PolarHBondContact O-NE1 2.8Å
305Y90.4Very high95.3Very high177 Ų17740.7 Ų40.769%0.69422%0.215SC*.THydrogen-bonded Turntrans-97.20.5173.9-65.7-85.6000113N303 A307 L336N303-Y305 PolarHBondContact O-N 3.46Å; N303-Y305 WeakPolarHBondContact OD1-CA 3.48Å; N303-Y305 WeakPolarHBondContact OD1-CB 3.36Å; N303-Y305 PolarHBondContact OD1-N 3.37Å; Y305-A307 PolarHBondContact O-N 3.38Å; Y305-L336 HydrophobicContact CD1-CD2 3.86Å
306N87.9Confident95.3Very high26 Ų2640.5 Ų40.514%0.13921%0.213CC..  trans-78.8109.1176.5-170.4-33.1000110.7N303 E308 V309 W310N303-N306 PolarHBondContact O-N 3.05Å; N306-E308 VanDerWaalsContact C-N 3.26Å; N306-E308 PolarHBondContact O-N 3.41Å; N306-E308 WeakPolarHBondContact OD1-CB 3.35Å; N306-E308 PolarHBondContact OD1-N 2.89Å; N306-V309 HydrophobicContact CB-CB 4.25Å; N306-V309 HydrophobicContact CB-CG2 3.77Å; N306-V309 PolarHBondContact O-N 3.1Å; N306-V309 PolarHBondContact OD1-N 2.85Å; N306-W310 VanDerWaalsContact O-CD1 3.29Å; N306-W310 PolarHBondContact O-N 2.94Å
307A92.7Very high95.3Very high12 Ų1241 Ų4110%0.09922%0.217CC..Hα-helixtrans-61.4-32.2-179.100000113.5Y305 W310 A311 L336 L338Y305-A307 PolarHBondContact O-N 3.38Å; A307-W310 PolarHBondContact O-N 3.27Å; A307-A311 PolarHBondContact O-N 2.89Å; A307-L336 HydrophobicContact CB-CB 3.72Å; A307-L338 HydrophobicContact CB-CB 4.13Å; A307-L338 HydrophobicContact CB-CD1 4.29Å
308E95.3Very high95.2Very high61 Ų6138.6 Ų38.629%0.28520%0.2SC..Hα-helixtrans-71.5-36.6-178.9-165.7176.4-177.200111.4L277 N306 W310 A311 Y312 L338 L343L277-E308 HydrophobicContact CD1-CG 4.43Å; L277-E308 HydrophobicContact CD2-CB 4.13Å; L277-E308 HydrophobicContact CD2-CG 4.18Å; N306-E308 VanDerWaalsContact C-N 3.26Å; N306-E308 PolarHBondContact O-N 3.41Å; N306-E308 WeakPolarHBondContact OD1-CB 3.35Å; N306-E308 PolarHBondContact OD1-N 2.89Å; E308-W310 VanDerWaalsContact C-N 3.34Å; E308-W310 PolarHBondContact O-N 3.19Å; E308-A311 VanDerWaalsContact O-CB 3.31Å; E308-A311 WeakPolarHBondContact O-CB 3.21Å; E308-A311 PolarHBondContact O-N 3.5Å; E308-A311 VanDerWaalsContact O-N 3.14Å; E308-Y312 HydrophobicContact CG-CD2 3.98Å; E308-Y312 HydrophobicContact CG-CE2 3.85Å; E308-Y312 WeakPolarHBondContact O-CD2 3.3Å; E308-Y312 PolarHBondContact O-N 2.9Å; E308-L338 HydrophobicContact CB-CD1 4.36Å; E308-L343 HydrophobicContact CG-CD2 3.95Å
309V96.6Very high95.2Very high0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-58.7-47.3172.2176.20000110.6L277 A299 N300 N306 A311 Y312 L313L277-V309 HydrophobicContact CB-CG2 4.15Å; L277-V309 HydrophobicContact CD1-CG2 3.9Å; L277-V309 HydrophobicContact CD2-CG2 4.13Å; L277-V309 HydrophobicContact CG-CG2 4.28Å; A299-V309 HydrophobicContact CB-CG1 4.08Å; A299-V309 HydrophobicContact CB-CG2 3.87Å; N300-V309 HydrophobicContact CB-CG1 3.79Å; N306-V309 HydrophobicContact CB-CB 4.25Å; N306-V309 HydrophobicContact CB-CG2 3.77Å; N306-V309 PolarHBondContact O-N 3.1Å; N306-V309 PolarHBondContact OD1-N 2.85Å; V309-A311 VanDerWaalsContact C-N 3.29Å; V309-A311 PolarHBondContact O-N 2.84Å; V309-Y312 PolarHBondContact O-N 3.1Å; V309-L313 HydrophobicContact CG1-CD1 4.09Å; V309-L313 WeakPolarHBondContact O-CG 3.22Å; V309-L313 PolarHBondContact O-N 2.78Å
310W97.9Very high95.2Very high33 Ų3340.6 Ų40.613%0.12521%0.213CC..Hα-helixtrans-63.9-34.3176.2-72106.8000112.9N300 N304 N306 A307 E308 L313 A314 A329 Y332 M333 L336N300-W310 WeakPolarHBondContact OD1-CZ2 3.28Å; N304-W310 PolarHBondContact O-NE1 2.8Å; N306-W310 VanDerWaalsContact O-CD1 3.29Å; N306-W310 PolarHBondContact O-N 2.94Å; A307-W310 PolarHBondContact O-N 3.27Å; E308-W310 VanDerWaalsContact C-N 3.34Å; E308-W310 PolarHBondContact O-N 3.19Å; W310-L313 HydrophobicContact CE3-CD1 4.12Å; W310-L313 HydrophobicContact CZ3-CD1 4.37Å; W310-A314 WeakPolarHBondContact O-CB 3.36Å; W310-A314 PolarHBondContact O-N 2.88Å; W310-A329 HydrophobicContact CE3-CB 4.01Å; W310-Y332 HydrophobicContact CD2-CG 4.25Å; W310-Y332 HydrophobicContact CE3-CG 4.47Å; W310-Y332 HydrophobicContact CH2-CD2 4.27Å; W310-Y332 HydrophobicContact CH2-CG 4.39Å; W310-Y332 HydrophobicContact CZ2-CD1 4.39Å; W310-Y332 HydrophobicContact CZ2-CD2 4.49Å; W310-Y332 HydrophobicContact CZ2-CG 4.18Å; W310-Y332 HydrophobicContact CZ3-CD2 4.31Å; W310-M333 HydrophobicContact CB-CB 3.87Å; W310-L336 HydrophobicContact CG-CD1 4.37Å
311A97.9Very high95.2Very high0 Ų041.2 Ų41.20%023%0.227CC..Hα-helixtrans-62.4-48.8175.800000111.5A307 E308 V309 A314 L315 M333 L338 L343 I347A307-A311 PolarHBondContact O-N 2.89Å; E308-A311 VanDerWaalsContact O-CB 3.31Å; E308-A311 WeakPolarHBondContact O-CB 3.21Å; E308-A311 PolarHBondContact O-N 3.5Å; E308-A311 VanDerWaalsContact O-N 3.14Å; V309-A311 VanDerWaalsContact C-N 3.29Å; V309-A311 PolarHBondContact O-N 2.84Å; A311-A314 WeakPolarHBondContact O-CB 3.5Å; A311-A314 PolarHBondContact O-N 3.42Å; A311-L315 PolarHBondContact O-N 2.79Å; A311-M333 HydrophobicContact CB-CE 4.45Å; A311-M333 HydrophobicContact CB-CG 3.83Å; A311-L338 HydrophobicContact CB-CD1 4.32Å; A311-L338 HydrophobicContact CB-CD2 3.92Å; A311-L343 HydrophobicContact CB-CD2 3.55Å; A311-L343 HydrophobicContact CB-CG 4.11Å; A311-I347 HydrophobicContact CB-CD1 3.83Å
312Y98.5Very high95.1Very high13 Ų1340.1 Ų40.15%0.05121%0.205CC..Hα-helixtrans-70.8-33.5178-80.4-81.3000113L277 I281 Y284 R285 E308 V309 A314 L315 V316 L343L277-Y312 HydrophobicContact CD1-CD2 4.13Å; I281-Y312 HydrophobicContact CB-CE1 4.25Å; I281-Y312 HydrophobicContact CD1-CD2 4.03Å; I281-Y312 HydrophobicContact CD1-CE2 3.48Å; I281-Y312 VanDerWaalsContact CD1-CE2 3.48Å; I281-Y312 HydrophobicContact CG1-CD1 4.06Å; I281-Y312 HydrophobicContact CG1-CD2 3.71Å; I281-Y312 HydrophobicContact CG1-CE1 3.82Å; I281-Y312 HydrophobicContact CG1-CE2 3.46Å; I281-Y312 VanDerWaalsContact CG1-CE2 3.46Å; I281-Y312 HydrophobicContact CG1-CG 4.01Å; I281-Y312 HydrophobicContact CG2-CE1 3.92Å; Y284-Y312 HydrophobicContact CD1-CD1 4.24Å; Y284-Y312 HydrophobicContact CD1-CE1 4.22Å; Y284-Y312 HydrophobicContact CG-CD1 4.31Å; R285-Y312 PolarHBondContact NH2-OH 2.82Å; R285-Y312 VanDerWaalsContact NH2-OH 3.16Å; E308-Y312 HydrophobicContact CG-CD2 3.98Å; E308-Y312 HydrophobicContact CG-CE2 3.85Å; E308-Y312 WeakPolarHBondContact O-CD2 3.3Å; E308-Y312 PolarHBondContact O-N 2.9Å; V309-Y312 PolarHBondContact O-N 3.1Å; Y312-A314 VanDerWaalsContact C-N 3.31Å; Y312-A314 PolarHBondContact O-N 2.85Å; Y312-L315 HydrophobicContact CD1-CD1 3.98Å; Y312-L315 HydrophobicContact CE1-CD1 4.19Å; Y312-L315 PolarHBondContact O-N 3.46Å; Y312-V316 WeakPolarHBondContact O-CG2 2.98Å; Y312-V316 PolarHBondContact O-N 3.49Å; Y312-L343 HydrophobicContact CD2-CD2 4.01Å; Y312-L343 HydrophobicContact CE1-CD1 4.2Å; Y312-L343 HydrophobicContact CE2-CD1 4.04Å; Y312-L343 HydrophobicContact CE2-CD2 3.57Å; Y312-L343 HydrophobicContact CE2-CG 4.49Å
313L98.3Very high95.5Very high18 Ų1840.3 Ų40.39%0.09420%0.203CC..Hα-helixtrans-61.1-40.6169.8-75.8171.7000111.5L296 N300 V309 W310 V316 C317 A329L296-L313 HydrophobicContact CB-CD2 3.5Å; L296-L313 HydrophobicContact CB-CG 3.88Å; L296-L313 HydrophobicContact CD1-CD2 4.23Å; L296-L313 HydrophobicContact CD1-CG 4.44Å; N300-L313 HydrophobicContact CB-CD1 4.27Å; V309-L313 HydrophobicContact CG1-CD1 4.09Å; V309-L313 WeakPolarHBondContact O-CG 3.22Å; V309-L313 PolarHBondContact O-N 2.78Å; W310-L313 HydrophobicContact CE3-CD1 4.12Å; W310-L313 HydrophobicContact CZ3-CD1 4.37Å; L313-V316 PolarHBondContact O-N 2.88Å; L313-C317 WeakPolarHBondContact O-CB 3.36Å; L313-C317 PolarHBondContact O-N 2.85Å; L313-C317 PolarHBondContact O-SG 3.03Å; L313-A329 HydrophobicContact CB-CB 4.27Å
314A97.8Very high95.8Very high1 Ų143.6 Ų43.61%0.00822%0.22CC..Hα-helixtrans-61.7-45.5174.700000111.3W310 A311 Y312 V316 C317 L318 A329W310-A314 WeakPolarHBondContact O-CB 3.36Å; W310-A314 PolarHBondContact O-N 2.88Å; A311-A314 WeakPolarHBondContact O-CB 3.5Å; A311-A314 PolarHBondContact O-N 3.42Å; Y312-A314 VanDerWaalsContact C-N 3.31Å; Y312-A314 PolarHBondContact O-N 2.85Å; A314-V316 PolarHBondContact O-N 2.87Å; A314-C317 PolarHBondContact O-N 3.25Å; A314-L318 WeakPolarHBondContact O-CB 3.43Å; A314-L318 WeakPolarHBondContact O-CG 2.94Å; A314-L318 PolarHBondContact O-N 2.92Å; A314-A329 HydrophobicContact CB-CB 3.79Å
315L98.4Very high95.9Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-58.6-45.5175.7-75.7177.7000112.9Y284 A311 Y312 L318 K319 L343 E346 I347 L350Y284-L315 HydrophobicContact CD2-CB 4.36Å; Y284-L315 HydrophobicContact CE1-CD1 4.04Å; Y284-L315 HydrophobicContact CE2-CB 3.57Å; A311-L315 PolarHBondContact O-N 2.79Å; Y312-L315 HydrophobicContact CD1-CD1 3.98Å; Y312-L315 HydrophobicContact CE1-CD1 4.19Å; Y312-L315 PolarHBondContact O-N 3.46Å; L315-L318 PolarHBondContact O-N 2.73Å; L315-K319 PolarHBondContact O-N 2.93Å; L315-L343 HydrophobicContact CD1-CD1 3.63Å; L315-E346 HydrophobicContact CD2-CG 4.29Å; L315-I347 HydrophobicContact CD1-CG1 4.22Å; L315-I347 HydrophobicContact CD2-CB 4.24Å; L315-I347 HydrophobicContact CD2-CG1 3.4Å; L315-I347 HydrophobicContact CG-CD1 4.22Å; L315-I347 HydrophobicContact CG-CG1 3.57Å; L315-L350 HydrophobicContact CD2-CD2 3.79Å
316V98.3Very high96.2Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-60.4-49.6176.3170.60000110.4Y284 A292 E293 L296 Y312 L313 A314 L318 K319 V320Y284-V316 HydrophobicContact CD2-CG2 3.7Å; Y284-V316 HydrophobicContact CE2-CG2 4.36Å; A292-V316 HydrophobicContact CB-CG2 4.07Å; E293-V316 HydrophobicContact CB-CG1 4.1Å; L296-V316 HydrophobicContact CD1-CG2 3.87Å; Y312-V316 WeakPolarHBondContact O-CG2 2.98Å; Y312-V316 PolarHBondContact O-N 3.49Å; L313-V316 PolarHBondContact O-N 2.88Å; A314-V316 PolarHBondContact O-N 2.87Å; V316-L318 VanDerWaalsContact C-N 3.32Å; V316-L318 PolarHBondContact O-N 2.94Å; V316-K319 PolarHBondContact O-N 2.87Å; V316-V320 HydrophobicContact CG1-CG2 4.27Å; V316-V320 VanDerWaalsContact O-CG2 3.3Å; V316-V320 WeakPolarHBondContact O-CG2 3.41Å; V316-V320 PolarHBondContact O-N 2.85Å
317C97.8Very high96.5Very high10 Ų1036 Ų367%0.06819%0.187CC..Hα-helixtrans-61.5-38.9179.3-69.80000112.7L313 A314 V320 G321 R322 E325 A326L313-C317 WeakPolarHBondContact O-CB 3.36Å; L313-C317 PolarHBondContact O-N 2.85Å; L313-C317 PolarHBondContact O-SG 3.03Å; A314-C317 PolarHBondContact O-N 3.25Å; C317-V320 PolarHBondContact O-N 2.83Å; C317-G321 PolarHBondContact O-N 3.09Å; C317-R322 HydrophobicContact CB-CB 4.22Å; C317-R322 PolarHBondContact O-N 2.79Å; C317-E325 HydrophobicContact CB-CB 4.31Å; C317-A326 HydrophobicContact CB-CB 3.72Å
318L97.5Very high96.6Very high3 Ų340.4 Ų40.42%0.01621%0.206CC..Hα-helixtrans-60.8-47174.8-73.3166.8000111.5A314 L315 V316 G321 A326 I347 L350 Q351 V354 F356A314-L318 WeakPolarHBondContact O-CB 3.43Å; A314-L318 WeakPolarHBondContact O-CG 2.94Å; A314-L318 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 2.73Å; V316-L318 VanDerWaalsContact C-N 3.32Å; V316-L318 PolarHBondContact O-N 2.94Å; L318-G321 PolarHBondContact O-N 2.96Å; L318-A326 HydrophobicContact CD2-CB 4.01Å; L318-A326 HydrophobicContact CG-CB 4.04Å; L318-I347 HydrophobicContact CD1-CG2 4.24Å; L318-L350 HydrophobicContact CB-CD2 3.57Å; L318-L350 HydrophobicContact CB-CG 3.99Å; L318-L350 HydrophobicContact CD1-CB 4.39Å; L318-L350 HydrophobicContact CD1-CD2 4Å; L318-L350 HydrophobicContact CD1-CG 4.21Å; L318-L350 HydrophobicContact CG-CD2 4.43Å; L318-Q351 HydrophobicContact CD1-CG 3.82Å; L318-Q351 HydrophobicContact CD2-CG 3.91Å; L318-V354 HydrophobicContact CD2-CG2 3.75Å; L318-F356 HydrophobicContact CD2-CD2 4.04Å; L318-F356 HydrophobicContact CD2-CE2 3.75Å; L318-F356 HydrophobicContact CD2-CZ 4.29Å; L318-F356 WeakPolarHBondContact CD2-O 3.35Å
319K97.3Very high96.7Very high67 Ų6737.7 Ų37.729%0.29119%0.194SC..Hα-helixtrans-66.9-36.1178.5-75.9-166.6168.2-178.60113.4Y284 E287 L289 L315 V316 G321 L350Y284-K319 HydrophobicContact CE2-CD 3.72Å; Y284-K319 HydrophobicContact CE2-CG 4.37Å; Y284-K319 WeakPolarHBondContact OH-CE 3.26Å; E287-K319 IonicContact OE1-NZ 3.87Å; E287-K319 PolarHBondContact OE1-NZ 2.94Å; E287-K319 IonicContact OE2-NZ 3.22Å; E287-K319 PolarHBondContact OE2-NZ 3.41Å; L289-K319 HydrophobicContact CD1-CB 3.8Å; L289-K319 HydrophobicContact CD1-CD 4.44Å; L289-K319 HydrophobicContact CD2-CB 4.3Å; L289-K319 HydrophobicContact CD2-CD 3.87Å; L315-K319 PolarHBondContact O-N 2.93Å; V316-K319 PolarHBondContact O-N 2.87Å; K319-G321 VanDerWaalsContact C-N 3.33Å; K319-L350 HydrophobicContact CG-CD2 3.93Å
320V96.6Very high96.6Very high73 Ų7338.7 Ų38.744%0.44220%0.198SC..Hα-helixtrans-77.4-19.2179.4177.50000112.2L289 V316 C317 R322L289-V320 HydrophobicContact CB-CG2 4.22Å; L289-V320 HydrophobicContact CD1-CG2 3.93Å; V316-V320 HydrophobicContact CG1-CG2 4.27Å; V316-V320 VanDerWaalsContact O-CG2 3.3Å; V316-V320 WeakPolarHBondContact O-CG2 3.41Å; V316-V320 PolarHBondContact O-N 2.85Å; C317-V320 PolarHBondContact O-N 2.83Å; V320-R322 HydrophobicContact CG1-CG 4.13Å
321G95.3Very high96.5Very high47 Ų4742.5 Ų42.549%0.48522%0.216SC..THydrogen-bonded Turntrans90.218.5-177.800000114.4C317 L318 K319 Q323C317-G321 PolarHBondContact O-N 3.09Å; L318-G321 PolarHBondContact O-N 2.96Å; K319-G321 VanDerWaalsContact C-N 3.33Å; G321-Q323 PolarHBondContact O-N 3.05Å
322R96.1Very high96.3Very high62 Ų6246.9 Ų46.923%0.23423%0.233CC..  trans-90.986.2-178.9-76.9-172.7-63.2171.61.4111E293 C317 V320 E325 A326E293-R322 IonicContact OE1-CZ 2.72Å; E293-R322 IonicContact OE1-NH1 2.79Å; E293-R322 PolarHBondContact OE1-NH1 3.49Å; E293-R322 IonicContact OE1-NH2 3.62Å; E293-R322 PolarHBondContact OE1-NH2 2.81Å; E293-R322 IonicContact OE2-CZ 3.53Å; E293-R322 IonicContact OE2-NH1 3.63Å; E293-R322 PolarHBondContact OE2-NH1 3.07Å; E293-R322 IonicContact OE2-NH2 3.9Å; E293-R322 PolarHBondContact OE2-NH2 3.41Å; C317-R322 HydrophobicContact CB-CB 4.22Å; C317-R322 PolarHBondContact O-N 2.79Å; V320-R322 HydrophobicContact CG1-CG 4.13Å; R322-E325 HydrophobicContact CB-CB 4.31Å; R322-E325 WeakPolarHBondContact CB-OE2 3.48Å; R322-A326 VanDerWaalsContact O-CB 3.29Å; R322-A326 WeakPolarHBondContact O-CB 3.45Å; R322-A326 PolarHBondContact O-N 2.97Å
323Q94.8Very high96.1Very high98 Ų9846.3 Ų46.346%0.45823%0.23SC..Hα-helixtrans-61.6-49.9-169.7177.8170.3-1.500114G321 E325 A326 E327 F356G321-Q323 PolarHBondContact O-N 3.05Å; Q323-E325 PolarHBondContact O-N 2.88Å; Q323-A326 PolarHBondContact O-N 2.85Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.3Å; Q323-E327 PolarHBondContact NE2-OE1 2.7Å; Q323-E327 WeakPolarHBondContact O-CG 3.22Å; Q323-E327 PolarHBondContact O-N 2.88Å; Q323-F356 HydrophobicContact CB-CD2 3.7Å; Q323-F356 HydrophobicContact CB-CE2 4.06Å; Q323-F356 HydrophobicContact CB-CG 4.19Å; Q323-F356 HydrophobicContact CG-CB 3.96Å; Q323-F356 HydrophobicContact CG-CD2 3.71Å; Q323-F356 HydrophobicContact CG-CG 4.02Å
324L93.9Very high95.9Very high130 Ų13049.3 Ų49.368%0.68125%0.246SC*.Hα-helixtrans-64.9-42.4-175.2-66.1176.5000111.3E327 Q328L324-E327 PolarHBondContact O-N 2.84Å; L324-Q328 WeakPolarHBondContact O-CB 3.45Å; L324-Q328 PolarHBondContact O-N 3.5Å
325E95.3Very high95.8Very high84 Ų8456.6 Ų56.639%0.39328%0.277SS..Hα-helixtrans-68-38.4178.4-61.693146.900111.7C317 R322 Q323 Q328 A329C317-E325 HydrophobicContact CB-CB 4.31Å; R322-E325 HydrophobicContact CB-CB 4.31Å; R322-E325 WeakPolarHBondContact CB-OE2 3.48Å; Q323-E325 PolarHBondContact O-N 2.88Å; E325-Q328 PolarHBondContact O-N 2.83Å; E325-A329 WeakPolarHBondContact O-CB 3.47Å; E325-A329 PolarHBondContact O-N 3.03Å
326A96.1Very high95.4Very high1 Ų158.8 Ų58.81%0.00829%0.289CS..Hα-helixtrans-61.1-47.9174.800000111.7C317 L318 R322 Q323 Q328 A329 Y330 F356C317-A326 HydrophobicContact CB-CB 3.72Å; L318-A326 HydrophobicContact CD2-CB 4.01Å; L318-A326 HydrophobicContact CG-CB 4.04Å; R322-A326 VanDerWaalsContact O-CB 3.29Å; R322-A326 WeakPolarHBondContact O-CB 3.45Å; R322-A326 PolarHBondContact O-N 2.97Å; Q323-A326 PolarHBondContact O-N 2.85Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 3.33Å; A326-A329 PolarHBondContact O-N 2.88Å; A326-Y330 VanDerWaalsContact O-CB 3.3Å; A326-Y330 WeakPolarHBondContact O-CB 3.4Å; A326-Y330 PolarHBondContact O-N 3.49Å; A326-F356 HydrophobicContact CB-CD2 4.46Å; A326-F356 HydrophobicContact CB-CE2 4.06Å
327E95.3Very high95.1Very high42 Ų4266.8 Ų66.820%0.19632%0.323CS..Hα-helixtrans-63.3-39.6177.6-70.6177-157.800112.1Q323 L324 K331Q323-E327 WeakPolarHBondContact CG-OE1 3.3Å; Q323-E327 PolarHBondContact NE2-OE1 2.7Å; Q323-E327 WeakPolarHBondContact O-CG 3.22Å; Q323-E327 PolarHBondContact O-N 2.88Å; L324-E327 PolarHBondContact O-N 2.84Å; E327-K331 VanDerWaalsContact O-CG 3.29Å; E327-K331 WeakPolarHBondContact O-CG 3.48Å; E327-K331 PolarHBondContact O-N 2.93Å
328Q94.6Very high94.7Very high105 Ų10567.7 Ų67.749%0.49133%0.328SS..Hα-helixtrans-64.4-50.6177-177.1172.71.300111.1L324 E325 A326 Y330 K331 Y332L324-Q328 WeakPolarHBondContact O-CB 3.45Å; L324-Q328 PolarHBondContact O-N 3.5Å; E325-Q328 PolarHBondContact O-N 2.83Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 3.33Å; Q328-Y330 VanDerWaalsContact C-N 3.3Å; Q328-Y330 PolarHBondContact O-N 3.49Å; Q328-K331 WeakPolarHBondContact O-CB 3.39Å; Q328-K331 PolarHBondContact O-N 2.85Å; Q328-Y332 HydrophobicContact CG-CD2 4.01Å; Q328-Y332 HydrophobicContact CG-CE2 3.91Å; Q328-Y332 VanDerWaalsContact O-CD2 3.3Å; Q328-Y332 WeakPolarHBondContact O-CD2 3.33Å; Q328-Y332 PolarHBondContact O-N 2.8Å; Q328-Y332 VanDerWaalsContact O-N 3.12Å
329A96Very high94.2Very high4 Ų476.8 Ų76.83%0.03337%0.367CS..Hα-helixtrans-60-42.4179.400000111.5W310 L313 A314 E325 A326 K331 Y332 M333W310-A329 HydrophobicContact CE3-CB 4.01Å; L313-A329 HydrophobicContact CB-CB 4.27Å; A314-A329 HydrophobicContact CB-CB 3.79Å; E325-A329 WeakPolarHBondContact O-CB 3.47Å; E325-A329 PolarHBondContact O-N 3.03Å; A326-A329 PolarHBondContact O-N 2.88Å; A329-K331 PolarHBondContact O-N 2.84Å; A329-Y332 PolarHBondContact O-N 2.91Å; A329-M333 WeakPolarHBondContact O-CB 3.43Å; A329-M333 PolarHBondContact O-N 3.22Å
330Y95.6Very high93.7Very high22 Ų2276.5 Ų76.59%0.08637%0.369CS..Hα-helixtrans-59-46174.7-176.3-90.3000112.4A326 Q328 Y332 M333 I334 L344 I347 H348 P359A326-Y330 VanDerWaalsContact O-CB 3.3Å; A326-Y330 WeakPolarHBondContact O-CB 3.4Å; A326-Y330 PolarHBondContact O-N 3.49Å; Q328-Y330 VanDerWaalsContact C-N 3.3Å; Q328-Y330 PolarHBondContact O-N 3.49Å; Y330-Y332 VanDerWaalsContact C-N 3.31Å; Y330-Y332 PolarHBondContact O-N 2.81Å; Y330-M333 HydrophobicContact CD2-CE 3.54Å; Y330-M333 HydrophobicContact CE2-CE 3.78Å; Y330-M333 HydrophobicContact CG-CE 4.4Å; Y330-M333 PolarHBondContact O-N 2.73Å; Y330-I334 HydrophobicContact CD1-CG1 4.18Å; Y330-I334 HydrophobicContact CE1-CD1 4.35Å; Y330-I334 HydrophobicContact CE1-CG1 3.69Å; Y330-I334 HydrophobicContact CE2-CD1 4.49Å; Y330-I334 HydrophobicContact CE2-CG1 4.45Å; Y330-I334 WeakPolarHBondContact O-CG1 3.42Å; Y330-I334 PolarHBondContact O-N 2.84Å; Y330-L344 HydrophobicContact CE2-CD1 4.45Å; Y330-I347 HydrophobicContact CD2-CG2 3.86Å; Y330-I347 HydrophobicContact CE2-CG2 4.03Å; Y330-H348 AromaticContact CZ-CE1 3.93Å; Y330-H348 PolarHBondContact OH-CE1 2.74Å; Y330-P359 HydrophobicContact CD1-CG 3.83Å; Y330-P359 HydrophobicContact CE1-CG 4.1Å
331K94.6Very high93.4Very high113 Ų11380.9 Ų80.949%0.49138%0.384SS..Hα-helixtrans-58-42.2176.4-76169.5-175.6167.40112.3E327 Q328 A329 K335 P359E327-K331 VanDerWaalsContact O-CG 3.29Å; E327-K331 WeakPolarHBondContact O-CG 3.48Å; E327-K331 PolarHBondContact O-N 2.93Å; Q328-K331 WeakPolarHBondContact O-CB 3.39Å; Q328-K331 PolarHBondContact O-N 2.85Å; A329-K331 PolarHBondContact O-N 2.84Å; K331-K335 VanDerWaalsContact O-CB 3.3Å; K331-K335 WeakPolarHBondContact O-CB 3.16Å; K331-K335 PolarHBondContact O-N 2.91Å; K331-P359 HydrophobicContact CG-CG 4.16Å
332Y94.5Very high93.3Very high92 Ų9282.1 Ų82.136%0.36139%0.39SS..Hα-helixtrans-68.5-42.2177.9-84.3-79.7000112.3W310 Q328 A329 Y330 I334 K335 L336W310-Y332 HydrophobicContact CD2-CG 4.25Å; W310-Y332 HydrophobicContact CE3-CG 4.47Å; W310-Y332 HydrophobicContact CH2-CD2 4.27Å; W310-Y332 HydrophobicContact CH2-CG 4.39Å; W310-Y332 HydrophobicContact CZ2-CD1 4.39Å; W310-Y332 HydrophobicContact CZ2-CD2 4.49Å; W310-Y332 HydrophobicContact CZ2-CG 4.18Å; W310-Y332 HydrophobicContact CZ3-CD2 4.31Å; Q328-Y332 HydrophobicContact CG-CD2 4.01Å; Q328-Y332 HydrophobicContact CG-CE2 3.91Å; Q328-Y332 VanDerWaalsContact O-CD2 3.3Å; Q328-Y332 WeakPolarHBondContact O-CD2 3.33Å; Q328-Y332 PolarHBondContact O-N 2.8Å; Q328-Y332 VanDerWaalsContact O-N 3.12Å; A329-Y332 PolarHBondContact O-N 2.91Å; Y330-Y332 VanDerWaalsContact C-N 3.31Å; Y330-Y332 PolarHBondContact O-N 2.81Å; Y332-I334 VanDerWaalsContact C-N 3.34Å; Y332-I334 PolarHBondContact O-N 2.85Å; Y332-K335 PolarHBondContact O-N 2.82Å; Y332-L336 WeakPolarHBondContact O-CB 3.25Å; Y332-L336 VanDerWaalsContact O-CG 3.27Å; Y332-L336 WeakPolarHBondContact O-CG 3.35Å; Y332-L336 PolarHBondContact O-N 2.88Å
333M94.7Very high93.2Very high0 Ų079.4 Ų79.40%038%0.38CS..Hα-helixtrans-56.7-45.6176173.2-100.3-79.300112.2W310 A311 A329 Y330 L336 K337 L338 L344 I347W310-M333 HydrophobicContact CB-CB 3.87Å; A311-M333 HydrophobicContact CB-CE 4.45Å; A311-M333 HydrophobicContact CB-CG 3.83Å; A329-M333 WeakPolarHBondContact O-CB 3.43Å; A329-M333 PolarHBondContact O-N 3.22Å; Y330-M333 HydrophobicContact CD2-CE 3.54Å; Y330-M333 HydrophobicContact CE2-CE 3.78Å; Y330-M333 HydrophobicContact CG-CE 4.4Å; Y330-M333 PolarHBondContact O-N 2.73Å; M333-L336 PolarHBondContact O-N 3.2Å; M333-K337 PolarHBondContact O-N 2.58Å; M333-L338 HydrophobicContact CE-CD2 4.31Å; M333-L338 HydrophobicContact CG-CB 3.77Å; M333-L338 HydrophobicContact CG-CD2 3.83Å; M333-L338 HydrophobicContact CG-CG 4.31Å; M333-L338 PolarHBondContact O-N 2.89Å; M333-L338 HydrophobicContact SD-CB 3.84Å; M333-L338 HydrophobicContact SD-CD2 3.63Å; M333-L338 HydrophobicContact SD-CG 4.38Å; M333-L344 HydrophobicContact CE-CD1 4.1Å; M333-L344 HydrophobicContact SD-CD1 4.03Å; M333-I347 HydrophobicContact CE-CD1 3.41Å; M333-I347 VanDerWaalsContact CE-CD1 3.41Å; M333-I347 HydrophobicContact CE-CG2 4.32Å
334I94.4Very high93.2Very high82 Ų8276.9 Ų76.942%0.42137%0.369SS..Hα-helixtrans-67.1-44.5175.4-62.9-62.1000111.7Y330 Y332 L336 K337 L344Y330-I334 HydrophobicContact CD1-CG1 4.18Å; Y330-I334 HydrophobicContact CE1-CD1 4.35Å; Y330-I334 HydrophobicContact CE1-CG1 3.69Å; Y330-I334 HydrophobicContact CE2-CD1 4.49Å; Y330-I334 HydrophobicContact CE2-CG1 4.45Å; Y330-I334 WeakPolarHBondContact O-CG1 3.42Å; Y330-I334 PolarHBondContact O-N 2.84Å; Y332-I334 VanDerWaalsContact C-N 3.34Å; Y332-I334 PolarHBondContact O-N 2.85Å; I334-L336 PolarHBondContact O-N 2.88Å; I334-K337 PolarHBondContact O-N 3.27Å; I334-L344 HydrophobicContact CD1-CD1 4.19Å
335K94.1Very high93.3Very high154 Ų15473.1 Ų73.167%0.6736%0.357SS*.Hα-helixtrans-57.3-37.8177.7-179.8-178.1176.9-175.60111.9K331 Y332 K337K331-K335 VanDerWaalsContact O-CB 3.3Å; K331-K335 WeakPolarHBondContact O-CB 3.16Å; K331-K335 PolarHBondContact O-N 2.91Å; Y332-K335 PolarHBondContact O-N 2.82Å; K335-K337 VanDerWaalsContact C-N 3.28Å
336L91.1Very high93.3Very high45 Ų4572.1 Ų72.124%0.23635%0.352CS..THydrogen-bonded Turntrans-85.82.1179.4-64.2169.8000113.5Y305 A307 W310 Y332 M333 I334Y305-L336 HydrophobicContact CD1-CD2 3.86Å; A307-L336 HydrophobicContact CB-CB 3.72Å; W310-L336 HydrophobicContact CG-CD1 4.37Å; Y332-L336 WeakPolarHBondContact O-CB 3.25Å; Y332-L336 VanDerWaalsContact O-CG 3.27Å; Y332-L336 WeakPolarHBondContact O-CG 3.35Å; Y332-L336 PolarHBondContact O-N 2.88Å; M333-L336 PolarHBondContact O-N 3.2Å; I334-L336 PolarHBondContact O-N 2.88Å
337K91.4Very high93.4Very high168 Ų16872.1 Ų72.173%0.7335%0.352SS*.THydrogen-bonded Turntrans59.863174.2-53.5179.2178.5-178.30112.7M333 I334 K335 K339M333-K337 PolarHBondContact O-N 2.58Å; I334-K337 PolarHBondContact O-N 3.27Å; K335-K337 VanDerWaalsContact C-N 3.28Å; K337-K339 PolarHBondContact O-N 2.79Å
338L90.3Very high93.4Very high30 Ų3072.9 Ų72.916%0.15736%0.355CS..  trans-50.6127.8167.4-177.469.1000110.1A307 E308 A311 M333 D340 L343 L344A307-L338 HydrophobicContact CB-CB 4.13Å; A307-L338 HydrophobicContact CB-CD1 4.29Å; E308-L338 HydrophobicContact CB-CD1 4.36Å; A311-L338 HydrophobicContact CB-CD1 4.32Å; A311-L338 HydrophobicContact CB-CD2 3.92Å; M333-L338 HydrophobicContact CE-CD2 4.31Å; M333-L338 HydrophobicContact CG-CB 3.77Å; M333-L338 HydrophobicContact CG-CD2 3.83Å; M333-L338 HydrophobicContact CG-CG 4.31Å; M333-L338 PolarHBondContact O-N 2.89Å; M333-L338 HydrophobicContact SD-CB 3.84Å; M333-L338 HydrophobicContact SD-CD2 3.63Å; M333-L338 HydrophobicContact SD-CG 4.38Å; L338-D340 HydrophobicContact CD1-CB 4.26Å; L338-D340 HydrophobicContact CG-CB 4.46Å; L338-L343 HydrophobicContact CD1-CD2 4.37Å; L338-L343 HydrophobicContact CD2-CD2 4.35Å; L338-L343 HydrophobicContact CD2-CG 4.4Å; L338-L344 HydrophobicContact CD2-CB 4.3Å
339K86.9Confident93.5Very high194 Ų19471.9 Ų71.984%0.84336%0.357SS*.  trans-96.9-20.3179.3-64.4-174.4179.9-179.60113.3K337 E341K337-K339 PolarHBondContact O-N 2.79Å; K339-E341 PolarHBondContact O-N 2.76Å
340D85.8Confident93.5Very high61 Ų6173.1 Ų73.133%0.32636%0.363SS..  trans-74.298.8-178.5-169.2-32.8000110.1L338 A342 L343 L344L338-D340 HydrophobicContact CD1-CB 4.26Å; L338-D340 HydrophobicContact CG-CB 4.46Å; D340-A342 VanDerWaalsContact C-N 3.28Å; D340-A342 PolarHBondContact O-N 3.4Å; D340-A342 WeakPolarHBondContact OD1-CB 3.26Å; D340-A342 PolarHBondContact OD1-N 2.95Å; D340-L343 HydrophobicContact CB-CB 3.94Å; D340-L343 PolarHBondContact O-N 2.56Å; D340-L343 PolarHBondContact OD1-N 2.99Å; D340-L344 WeakPolarHBondContact O-CB 3.43Å; D340-L344 PolarHBondContact O-N 2.81Å
341E91.8Very high93.5Very high165 Ų16572.5 Ų72.577%0.77136%0.361SS*.Hα-helixtrans-65.3-31.4179.9-63-172.9168.200112.4K339 L344 A345K339-E341 PolarHBondContact O-N 2.76Å; E341-L344 PolarHBondContact O-N 3.5Å; E341-A345 WeakPolarHBondContact O-CB 3.35Å; E341-A345 PolarHBondContact O-N 2.76Å
342A92Very high93.5Very high73 Ų7374.7 Ų74.760%0.60337%0.373SS*.Hα-helixtrans-71.7-42.818000000110.9D340 L344 A345 E346D340-A342 VanDerWaalsContact C-N 3.28Å; D340-A342 PolarHBondContact O-N 3.4Å; D340-A342 WeakPolarHBondContact OD1-CB 3.26Å; D340-A342 PolarHBondContact OD1-N 2.95Å; A342-L344 VanDerWaalsContact C-N 3.34Å; A342-A345 PolarHBondContact O-N 2.82Å; A342-E346 PolarHBondContact O-N 2.79Å
343L93.8Very high93.5Very high4 Ų475.5 Ų75.52%0.02139%0.387CS..Hα-helixtrans-65.4-38.8174.4-176.259.4000111.7E308 A311 Y312 L315 L338 D340 E346 I347E308-L343 HydrophobicContact CG-CD2 3.95Å; A311-L343 HydrophobicContact CB-CD2 3.55Å; A311-L343 HydrophobicContact CB-CG 4.11Å; Y312-L343 HydrophobicContact CD2-CD2 4.01Å; Y312-L343 HydrophobicContact CE1-CD1 4.2Å; Y312-L343 HydrophobicContact CE2-CD1 4.04Å; Y312-L343 HydrophobicContact CE2-CD2 3.57Å; Y312-L343 HydrophobicContact CE2-CG 4.49Å; L315-L343 HydrophobicContact CD1-CD1 3.63Å; L338-L343 HydrophobicContact CD1-CD2 4.37Å; L338-L343 HydrophobicContact CD2-CD2 4.35Å; L338-L343 HydrophobicContact CD2-CG 4.4Å; D340-L343 HydrophobicContact CB-CB 3.94Å; D340-L343 PolarHBondContact O-N 2.56Å; D340-L343 PolarHBondContact OD1-N 2.99Å; L343-E346 WeakPolarHBondContact O-CB 3.37Å; L343-E346 PolarHBondContact O-N 2.96Å; L343-I347 HydrophobicContact CG-CD1 4.36Å; L343-I347 WeakPolarHBondContact O-CG1 3.46Å; L343-I347 PolarHBondContact O-N 3.17Å
344L95.1Very high93.5Very high46 Ų4678 Ų7824%0.24140%0.403CS..Hα-helixtrans-62-43.3174.2-174.863.7000111.5Y330 M333 I334 L338 D340 E341 A342 I347 H348Y330-L344 HydrophobicContact CE2-CD1 4.45Å; M333-L344 HydrophobicContact CE-CD1 4.1Å; M333-L344 HydrophobicContact SD-CD1 4.03Å; I334-L344 HydrophobicContact CD1-CD1 4.19Å; L338-L344 HydrophobicContact CD2-CB 4.3Å; D340-L344 WeakPolarHBondContact O-CB 3.43Å; D340-L344 PolarHBondContact O-N 2.81Å; E341-L344 PolarHBondContact O-N 3.5Å; A342-L344 VanDerWaalsContact C-N 3.34Å; L344-I347 PolarHBondContact O-N 3.42Å; L344-H348 PolarHBondContact O-CD2 3.31Å; L344-H348 PolarHBondContact O-N 2.65Å
345A95.6Very high93.4Very high51 Ų5177.4 Ų77.442%0.42142%0.417SS..Hα-helixtrans-64.1-38.7175.700000112.7E341 A342 I347 H348 T349E341-A345 WeakPolarHBondContact O-CB 3.35Å; E341-A345 PolarHBondContact O-N 2.76Å; A342-A345 PolarHBondContact O-N 2.82Å; A345-I347 VanDerWaalsContact C-N 3.34Å; A345-H348 PolarHBondContact O-N 3.03Å; A345-T349 WeakPolarHBondContact O-CB 3.49Å; A345-T349 PolarHBondContact O-N 3Å; A345-T349 PolarHBondContact O-OG1 2.75Å
346E96.5Very high93.3Very high63 Ų6372 Ų7229%0.29439%0.393SS..Hα-helixtrans-58.8-46.3173.7-175.7-178.1172.200110.9R285 L315 A342 L343 T349 L350R285-E346 IonicContact CZ-OE1 2.72Å; R285-E346 IonicContact CZ-OE2 2.65Å; R285-E346 VanDerWaalsContact NH1-CD 3.29Å; R285-E346 IonicContact NH1-OE1 2.8Å; R285-E346 PolarHBondContact NH1-OE1 3.05Å; R285-E346 IonicContact NH1-OE2 3.87Å; R285-E346 PolarHBondContact NH1-OE2 3.4Å; R285-E346 IonicContact NH2-OE1 3.45Å; R285-E346 IonicContact NH2-OE2 2.68Å; R285-E346 PolarHBondContact NH2-OE2 3.08Å; L315-E346 HydrophobicContact CD2-CG 4.29Å; A342-E346 PolarHBondContact O-N 2.79Å; L343-E346 WeakPolarHBondContact O-CB 3.37Å; L343-E346 PolarHBondContact O-N 2.96Å; E346-T349 PolarHBondContact O-N 2.88Å; E346-L350 PolarHBondContact O-N 3.48Å
347I96.7Very high92.9Very high0 Ų069.9 Ų69.90%038%0.382CS..Hα-helixtrans-61.9-46.9178.7-70.7168.2000111.3A311 L315 L318 Y330 M333 L343 L344 A345 T349 L350 Q351A311-I347 HydrophobicContact CB-CD1 3.83Å; L315-I347 HydrophobicContact CD1-CG1 4.22Å; L315-I347 HydrophobicContact CD2-CB 4.24Å; L315-I347 HydrophobicContact CD2-CG1 3.4Å; L315-I347 HydrophobicContact CG-CD1 4.22Å; L315-I347 HydrophobicContact CG-CG1 3.57Å; L318-I347 HydrophobicContact CD1-CG2 4.24Å; Y330-I347 HydrophobicContact CD2-CG2 3.86Å; Y330-I347 HydrophobicContact CE2-CG2 4.03Å; M333-I347 HydrophobicContact CE-CD1 3.41Å; M333-I347 VanDerWaalsContact CE-CD1 3.41Å; M333-I347 HydrophobicContact CE-CG2 4.32Å; L343-I347 HydrophobicContact CG-CD1 4.36Å; L343-I347 WeakPolarHBondContact O-CG1 3.46Å; L343-I347 PolarHBondContact O-N 3.17Å; L344-I347 PolarHBondContact O-N 3.42Å; A345-I347 VanDerWaalsContact C-N 3.34Å; I347-T349 PolarHBondContact O-N 3.36Å; I347-L350 PolarHBondContact O-N 3.41Å; I347-Q351 HydrophobicContact CG2-CG 4.3Å; I347-Q351 VanDerWaalsContact O-CG 3.3Å; I347-Q351 WeakPolarHBondContact O-CG 3.18Å; I347-Q351 PolarHBondContact O-N 3.03Å
348H95.8Very high92.4Very high58 Ų5863.3 Ų63.327%0.26936%0.355SS..Hα-helixtrans-61.4-44.9178.7-74.3-48.7000112.7Y330 L344 A345 L350 Q351 E352Y330-H348 AromaticContact CZ-CE1 3.93Å; Y330-H348 PolarHBondContact OH-CE1 2.74Å; L344-H348 PolarHBondContact O-CD2 3.31Å; L344-H348 PolarHBondContact O-N 2.65Å; A345-H348 PolarHBondContact O-N 3.03Å; H348-L350 VanDerWaalsContact C-N 3.26Å; H348-L350 PolarHBondContact O-N 2.86Å; H348-Q351 PolarHBondContact ND1-OE1 2.9Å; H348-Q351 VanDerWaalsContact ND1-OE1 3.09Å; H348-Q351 WeakPolarHBondContact O-CB 3.39Å; H348-Q351 PolarHBondContact O-N 2.81Å; H348-E352 WeakPolarHBondContact O-CG 3.44Å; H348-E352 PolarHBondContact O-N 3.01Å
349T96.7Very high91.6Very high85 Ų8564.2 Ų64.252%0.52136%0.363SS..Hα-helixtrans-58.9-41.7176.5-54.70000110.9A345 E346 I347 T353A345-T349 WeakPolarHBondContact O-CB 3.49Å; A345-T349 PolarHBondContact O-N 3Å; A345-T349 PolarHBondContact O-OG1 2.75Å; E346-T349 PolarHBondContact O-N 2.88Å; I347-T349 PolarHBondContact O-N 3.36Å; T349-T353 PolarHBondContact O-N 3.13Å; T349-T353 VanDerWaalsContact O-N 3.11Å; T349-T353 PolarHBondContact O-OG1 3.07Å
350L96.1Very high90.5Very high30 Ų3059.9 Ų59.916%0.15736%0.357CS..Hα-helixtrans-68.8-42.3177.8-17460.5000112L315 L318 K319 E346 I347 H348 E352 T353 V354L315-L350 HydrophobicContact CD2-CD2 3.79Å; L318-L350 HydrophobicContact CB-CD2 3.57Å; L318-L350 HydrophobicContact CB-CG 3.99Å; L318-L350 HydrophobicContact CD1-CB 4.39Å; L318-L350 HydrophobicContact CD1-CD2 4Å; L318-L350 HydrophobicContact CD1-CG 4.21Å; L318-L350 HydrophobicContact CG-CD2 4.43Å; K319-L350 HydrophobicContact CG-CD2 3.93Å; E346-L350 PolarHBondContact O-N 3.48Å; I347-L350 PolarHBondContact O-N 3.41Å; H348-L350 VanDerWaalsContact C-N 3.26Å; H348-L350 PolarHBondContact O-N 2.86Å; L350-E352 VanDerWaalsContact C-N 3.34Å; L350-E352 PolarHBondContact O-N 3.48Å; L350-T353 WeakPolarHBondContact O-CB 3.4Å; L350-T353 PolarHBondContact O-N 2.85Å; L350-T353 VanDerWaalsContact O-N 3.12Å; L350-V354 HydrophobicContact CD1-CG1 4.06Å; L350-V354 HydrophobicContact CG-CG1 4.46Å; L350-V354 WeakPolarHBondContact O-CG2 3.23Å; L350-V354 PolarHBondContact O-N 2.66Å
351Q95.9Very high88.8Confident8 Ų868.3 Ų68.34%0.03739%0.391CS..Hα-helixtrans-57.3-44.4174.9-74.9170.5-25.400112L318 I347 H348 T353 V354 G355 F356 G357L318-Q351 HydrophobicContact CD1-CG 3.82Å; L318-Q351 HydrophobicContact CD2-CG 3.91Å; I347-Q351 HydrophobicContact CG2-CG 4.3Å; I347-Q351 VanDerWaalsContact O-CG 3.3Å; I347-Q351 WeakPolarHBondContact O-CG 3.18Å; I347-Q351 PolarHBondContact O-N 3.03Å; H348-Q351 PolarHBondContact ND1-OE1 2.9Å; H348-Q351 VanDerWaalsContact ND1-OE1 3.09Å; H348-Q351 WeakPolarHBondContact O-CB 3.39Å; H348-Q351 PolarHBondContact O-N 2.81Å; Q351-T353 VanDerWaalsContact C-N 3.3Å; Q351-T353 PolarHBondContact O-N 2.77Å; Q351-V354 PolarHBondContact O-N 3.3Å; Q351-G355 WeakPolarHBondContact O-CA 3.5Å; Q351-G355 PolarHBondContact O-N 3.17Å; Q351-F356 PolarHBondContact O-N 3.49Å; Q351-G357 PolarHBondContact NE2-O 3.19Å
352E94.4Very high88.7Confident159 Ų15963.5 Ų63.574%0.74337%0.372SS*.Hα-helixtrans-62.4-39.1175.4-72.4177.4-176.900111.8H348 L350H348-E352 WeakPolarHBondContact O-CG 3.44Å; H348-E352 PolarHBondContact O-N 3.01Å; L350-E352 VanDerWaalsContact C-N 3.34Å; L350-E352 PolarHBondContact O-N 3.48Å
353T94.9Very high88.5Confident110 Ų11062.9 Ų62.968%0.67536%0.36SS*.Hα-helixtrans-68-42.9179.9-56.80000112T349 L350 Q351T349-T353 PolarHBondContact O-N 3.13Å; T349-T353 VanDerWaalsContact O-N 3.11Å; T349-T353 PolarHBondContact O-OG1 3.07Å; L350-T353 WeakPolarHBondContact O-CB 3.4Å; L350-T353 PolarHBondContact O-N 2.85Å; L350-T353 VanDerWaalsContact O-N 3.12Å; Q351-T353 VanDerWaalsContact C-N 3.3Å; Q351-T353 PolarHBondContact O-N 2.77Å
354V94.6Very high88.2Confident53 Ų5366.2 Ų66.232%0.32138%0.379SS..Hα-helixtrans-88.7-17.6-177.8-550000113.5L318 L350 Q351 F356L318-V354 HydrophobicContact CD2-CG2 3.75Å; L350-V354 HydrophobicContact CD1-CG1 4.06Å; L350-V354 HydrophobicContact CG-CG1 4.46Å; L350-V354 WeakPolarHBondContact O-CG2 3.23Å; L350-V354 PolarHBondContact O-N 2.66Å; Q351-V354 PolarHBondContact O-N 3.3Å; V354-F356 HydrophobicContact CB-CD1 3.95Å; V354-F356 HydrophobicContact CB-CE1 3.63Å; V354-F356 HydrophobicContact CB-CZ 4.31Å; V354-F356 HydrophobicContact CG2-CD1 3.61Å; V354-F356 HydrophobicContact CG2-CD2 4.44Å; V354-F356 HydrophobicContact CG2-CE1 3.49Å; V354-F356 VanDerWaalsContact CG2-CE1 3.49Å; V354-F356 HydrophobicContact CG2-CE2 4.35Å; V354-F356 HydrophobicContact CG2-CG 4.09Å; V354-F356 HydrophobicContact CG2-CZ 3.87Å; V354-F356 WeakPolarHBondContact O-CD1 3.4Å
355G92.8Very high87.8Confident69 Ų6967.4 Ų67.471%0.71139%0.387SS*.THydrogen-bonded Turntrans78.515.6177.100000115.5Q351Q351-G355 WeakPolarHBondContact O-CA 3.5Å; Q351-G355 PolarHBondContact O-N 3.17Å
356F92.3Very high87.3Confident39 Ų3968.4 Ų68.417%0.17139%0.385CS..  trans-149.1174.9178.171-94.6000112.3L318 Q323 A326 Q351 V354L318-F356 HydrophobicContact CD2-CD2 4.04Å; L318-F356 HydrophobicContact CD2-CE2 3.75Å; L318-F356 HydrophobicContact CD2-CZ 4.29Å; L318-F356 WeakPolarHBondContact CD2-O 3.35Å; Q323-F356 HydrophobicContact CB-CD2 3.7Å; Q323-F356 HydrophobicContact CB-CE2 4.06Å; Q323-F356 HydrophobicContact CB-CG 4.19Å; Q323-F356 HydrophobicContact CG-CB 3.96Å; Q323-F356 HydrophobicContact CG-CD2 3.71Å; Q323-F356 HydrophobicContact CG-CG 4.02Å; A326-F356 HydrophobicContact CB-CD2 4.46Å; A326-F356 HydrophobicContact CB-CE2 4.06Å; Q351-F356 PolarHBondContact O-N 3.49Å; V354-F356 HydrophobicContact CB-CD1 3.95Å; V354-F356 HydrophobicContact CB-CE1 3.63Å; V354-F356 HydrophobicContact CB-CZ 4.31Å; V354-F356 HydrophobicContact CG2-CD1 3.61Å; V354-F356 HydrophobicContact CG2-CD2 4.44Å; V354-F356 HydrophobicContact CG2-CE1 3.49Å; V354-F356 VanDerWaalsContact CG2-CE1 3.49Å; V354-F356 HydrophobicContact CG2-CE2 4.35Å; V354-F356 HydrophobicContact CG2-CG 4.09Å; V354-F356 HydrophobicContact CG2-CZ 3.87Å; V354-F356 WeakPolarHBondContact O-CD1 3.4Å
357G81.7Confident86.7Confident1 Ų168.8 Ų68.81%0.0139%0.391CS..  trans93.6-11.3171.400000115Q351Q351-G357 PolarHBondContact NE2-O 3.19Å
358N81.3Confident86Confident30 Ų3073.7 Ų73.716%0.1642%0.418CS..  trans-93.1113.4166.9-176.2-10.3000109.1S360 F361N358-S360 PolarHBondContact O-N 3.08Å; N358-S360 VanDerWaalsContact OD1-CB 3.32Å; N358-S360 WeakPolarHBondContact OD1-CB 3.44Å; N358-S360 PolarHBondContact OD1-N 3.09Å; N358-S360 PolarHBondContact OD1-OG 2.74Å; N358-F361 HydrophobicContact CB-CD2 4.09Å; N358-F361 PolarHBondContact O-N 3.33Å
359P72.6Confident85.2Confident49 Ų4974.9 Ų74.932%0.31843%0.43SS..THydrogen-bonded Turntrans-71.20.1-177.631-36.3000114Y330 K331 F361Y330-P359 HydrophobicContact CD1-CG 3.83Å; Y330-P359 HydrophobicContact CE1-CG 4.1Å; K331-P359 HydrophobicContact CG-CG 4.16Å; P359-F361 VanDerWaalsContact C-N 3.34Å
360S64.8Low84.3Confident103 Ų10374.1 Ų74.172%0.7242%0.422SS*.THydrogen-bonded Turntrans-86.5-0.8173.5-58.40000114.1N358N358-S360 PolarHBondContact O-N 3.08Å; N358-S360 VanDerWaalsContact OD1-CB 3.32Å; N358-S360 WeakPolarHBondContact OD1-CB 3.44Å; N358-S360 PolarHBondContact OD1-N 3.09Å; N358-S360 PolarHBondContact OD1-OG 2.74Å
361F49.7Very low83.2Confident238 Ų23878.1 Ų78.1100%1.04445%0.447SS*.  trans-105.50173.1-79-81.2000112.5N358 P359N358-F361 HydrophobicContact CB-CD2 4.09Å; N358-F361 PolarHBondContact O-N 3.33Å; P359-F361 VanDerWaalsContact C-N 3.34Å

Retrieved 361 of 361 residues in 75.6 ms (Link to these results)