A0A3Q0KKZ1_SCHMA Loading...

Gelsolin-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.3Very low55.9Low232 Ų232141.5 Ų141.5100%1.14374%0.744SS**  0114.20-69.6176.3-175.800106.7N3M1-N3 PolarHBondContact O-N 3.22Å
2T39.3Very low58.6Low144 Ų144133.7 Ų133.788%0.88370%0.703SS**  trans-72.798.1-174.430.90000109.6K4T2-K4 PolarHBondContact O-N 3.48Å
3N43.6Very low61.1Low145 Ų145129.6 Ų129.678%0.77569%0.692SS**  trans-61.4100.7167.4-77.7-14.5000108.1M1 V5M1-N3 PolarHBondContact O-N 3.22Å; N3-V5 HydrophobicContact CB-CG2 4.37Å; N3-V5 PolarHBondContact O-N 2.76Å
4K45.3Very low63.3Low203 Ų203125.9 Ų125.988%0.88366%0.663SS**  trans-67.784.5156.1-82-174.9174.8-177.10106.6T2 S6T2-K4 PolarHBondContact O-N 3.48Å; K4-S6 VanDerWaalsContact C-N 3.25Å; K4-S6 PolarHBondContact O-N 3.02Å
5V50.1Low65.4Low116 Ų116125.2 Ų125.270%0.70366%0.655SS**  trans-65.699.8155.9-179.20000103.8N3 E7N3-V5 HydrophobicContact CB-CG2 4.37Å; N3-V5 PolarHBondContact O-N 2.76Å; V5-E7 PolarHBondContact O-N 3.3Å
6S52.4Low67.1Low89 Ų89119.6 Ų119.662%0.62263%0.626SS**  trans-56.7111.9160.455.90000104.9K4 L8K4-S6 VanDerWaalsContact C-N 3.25Å; K4-S6 PolarHBondContact O-N 3.02Å; S6-L8 PolarHBondContact O-N 3.17Å
7E56.8Low68.8Low180 Ų180117.7 Ų117.784%0.84162%0.615SS**  trans-60.287.1169.9-70.7179.8167.900106.7V5 L9V5-E7 PolarHBondContact O-N 3.3Å; E7-L9 PolarHBondContact O-N 3.31Å
8L56.7Low70.2Confident106 Ų106111.9 Ų111.956%0.55559%0.586SS**  trans-57.5112.6164.9-84.7156.1000104.4S6S6-L8 PolarHBondContact O-N 3.17Å
9L67.4Low71.5Confident128 Ų128112.5 Ų112.567%0.6759%0.585SS**  trans-50133.1174.5-71.7168.2000107E7 F11E7-L9 PolarHBondContact O-N 3.31Å; L9-F11 PolarHBondContact O-N 3.47Å
10P77.1Confident72.5Confident78 Ų78107.4 Ų107.451%0.50656%0.559SS.*SBendtrans-59-19.2-174.821.2-31.7000112.6L34P10-L34 WeakPolarHBondContact O-CD2 3.32Å
11F86.7Confident73.5Confident136 Ų136110.1 Ų110.160%0.59657%0.566SS**  trans-133.1110.5176.5-52.9-82.3000108.6L9 L32 L34L9-F11 PolarHBondContact O-N 3.47Å; F11-L32 HydrophobicContact CB-CD1 3.99Å; F11-L32 HydrophobicContact CD1-CD1 4.27Å; F11-L34 HydrophobicContact CD1-CD2 3.33Å; F11-L34 HydrophobicContact CE1-CD2 3.66Å; F11-L34 HydrophobicContact CG-CD2 4.31Å
12D88.1Confident76Confident47 Ų47103.6 Ų103.625%0.25153%0.533SS..EExtended strand (participates in β ladder)trans-107.6110.1166.1177.118.8000108.6R33D12-R33 HydrophobicContact CB-CB 4.31Å; D12-R33 PolarHBondContact N-O 3.35Å; D12-R33 PolarHBondContact O-N 2.88Å
13S91.3Very high78.4Confident81 Ų8197.7 Ų97.757%0.56650%0.495SS*.EExtended strand (participates in β ladder)trans-114.6138.1-177.965.60000111.9F31S13-F31 CarbonylContact C-O 3.54Å; S13-F31 WeakPolarHBondContact CA-O 3.37Å
14R92.1Very high80.7Confident77 Ų7798 Ų9829%0.29150%0.497SS..EExtended strand (participates in β ladder)trans-130.1142.3171.7-59.2-156.6-170.1152.52.9111.2L30 F31 T139 I140 S143R14-L30 WeakPolarHBondContact O-CA 3.24Å; R14-F31 PolarHBondContact N-O 3.26Å; R14-F31 PolarHBondContact O-N 3.32Å; R14-T139 PolarHBondContact NH1-O 3.15Å; R14-I140 HydrophobicContact CB-CD1 4.35Å; R14-I140 HydrophobicContact CB-CG1 4.44Å; R14-I140 HydrophobicContact CG-CG1 4.25Å; R14-S143 VanDerWaalsContact NH2-CB 3.33Å; R14-S143 PolarHBondContact NH2-OG 3.37Å
15Q94.1Very high82.9Confident116 Ų11689 Ų8954%0.54246%0.458SS..EExtended strand (participates in β ladder)trans-115.6136.8170.7-174.8-177.1-39.400109.5L29Q15-L29 CarbonylContact C-O 3.58Å; Q15-L29 VanDerWaalsContact CA-O 3.29Å; Q15-L29 WeakPolarHBondContact CA-O 3.46Å
16I94Very high85Confident35 Ų3587.5 Ų87.518%0.17944%0.443CS..EExtended strand (participates in β ladder)trans-133.5141-179.9-54.1-176.8000108.1L29 F31 N136I16-L29 HydrophobicContact CB-CB 4.37Å; I16-L29 PolarHBondContact N-O 2.89Å; I16-L29 PolarHBondContact O-N 3Å; I16-F31 HydrophobicContact CB-CE2 4.47Å; I16-F31 HydrophobicContact CD1-CD2 4.23Å; I16-F31 HydrophobicContact CD1-CE2 3.79Å; I16-F31 HydrophobicContact CG1-CD2 4.44Å; I16-F31 HydrophobicContact CG1-CE2 4.18Å; I16-N136 HydrophobicContact CD1-CB 3.4Å; I16-N136 WeakPolarHBondContact CD1-OD1 3.49Å
17I94.9Very high87.1Confident88 Ų8883.3 Ų83.345%0.45141%0.414SS..EExtended strand (participates in β ladder)trans-107.5125.4176.1-61.7177.8000107.7Q26 L27I17-Q26 HydrophobicContact CG2-CG 3.39Å; I17-L27 CarbonylContact C-O 3.58Å; I17-L27 WeakPolarHBondContact CA-O 3.07Å
18C94.1Very high88.9Confident13 Ų1376.3 Ų76.39%0.08838%0.381CS..EExtended strand (participates in β ladder)trans-118.4116.1176.7-620000109.4L27 C132C18-L27 HydrophobicContact CB-CB 4.3Å; C18-L27 PolarHBondContact N-O 2.82Å; C18-L27 PolarHBondContact O-N 3.07Å; C18-C132 HydrophobicContact CB-CB 4.28Å
19E94.3Very high90.8Very high123 Ų12371.4 Ų71.458%0.57536%0.355SS*.EExtended strand (participates in β ladder)trans-88.5115.5175.1-67.2-177.6-176.700110Q26E19-Q26 HydrophobicContact CG-CG 4.24Å
20L93.3Very high92.1Very high11 Ų1168 Ų686%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-105.381.1173.7-59.1-173.2000108.8E22 Y23 N24 I25 L27 L125 K128 V129L20-E22 PolarHBondContact O-N 2.86Å; L20-Y23 HydrophobicContact CB-CD2 4.12Å; L20-Y23 CarbonylContact O-C 3.57Å; L20-Y23 PolarHBondContact O-N 3.47Å; L20-N24 PolarHBondContact O-N 2.56Å; L20-I25 HydrophobicContact CB-CG2 3.93Å; L20-I25 PolarHBondContact N-O 3.43Å; L20-I25 PolarHBondContact O-N 3.33Å; L20-L27 HydrophobicContact CD1-CD1 3.41Å; L20-L27 VanDerWaalsContact CD1-CD1 3.41Å; L20-L27 HydrophobicContact CD1-CG 4.33Å; L20-L27 HydrophobicContact CG-CD1 3.96Å; L20-L125 HydrophobicContact CD1-CD1 3.55Å; L20-K128 HydrophobicContact CD1-CB 3.9Å; L20-K128 HydrophobicContact CD2-CB 4.07Å; L20-V129 HydrophobicContact CD1-CG2 4.35Å
21K92.3Very high93Very high164 Ų16464.4 Ų64.471%0.71331%0.314SS*.G310 helixtrans-57.5-33.6-172.4-67.2-176.6179.5179.40112.7Y23 N24K21-Y23 PolarHBondContact O-N 2.84Å; K21-N24 PolarHBondContact O-N 3.03Å; K21-N24 VanDerWaalsContact O-N 3.15Å
22E91Very high93.3Very high95 Ų9559.8 Ų59.844%0.44430%0.295SS..G310 helixtrans-72.2-13.6-178.3-47.593.4157.500113.2L20 T121L20-E22 PolarHBondContact O-N 2.86Å; E22-T121 HydrophobicContact CB-CG2 3.79Å; E22-T121 HydrophobicContact CG-CG2 3.48Å; E22-T121 VanDerWaalsContact CG-CG2 3.48Å
23Y90.8Very high93.5Very high20 Ų2060.4 Ų60.48%0.07829%0.294CS..G310 helixtrans-114.25.2175-59.6-83.7000112.2L20 K21 I25 L113 N118 S123 T124 L125 K128L20-Y23 HydrophobicContact CB-CD2 4.12Å; L20-Y23 CarbonylContact O-C 3.57Å; L20-Y23 PolarHBondContact O-N 3.47Å; K21-Y23 PolarHBondContact O-N 2.84Å; Y23-I25 PolarHBondContact O-N 2.77Å; Y23-L113 HydrophobicContact CD1-CB 4.33Å; Y23-L113 HydrophobicContact CD1-CD1 4.19Å; Y23-L113 HydrophobicContact CE1-CB 4.41Å; Y23-N118 HydrophobicContact CE1-CB 4.25Å; Y23-N118 WeakPolarHBondContact OH-CB 3.34Å; Y23-S123 PolarHBondContact OH-O 3.25Å; Y23-T124 WeakPolarHBondContact OH-CA 3.46Å; Y23-T124 PolarHBondContact OH-O 3.32Å; Y23-L125 HydrophobicContact CD1-CB 4.11Å; Y23-L125 HydrophobicContact CD1-CD1 4.31Å; Y23-L125 HydrophobicContact CD2-CD1 4.04Å; Y23-L125 HydrophobicContact CE1-CB 3.88Å; Y23-L125 HydrophobicContact CE2-CD1 4.47Å; Y23-L125 HydrophobicContact CG-CD1 3.94Å; Y23-L125 PolarHBondContact OH-N 3.47Å; Y23-K128 HydrophobicContact CE2-CG 4.12Å
24N90.9Very high93.3Very high153 Ų15359 Ų5982%0.81828%0.28SS*.THydrogen-bonded Turntrans48.643-176.6-167.543.7000113.4L20 K21L20-N24 PolarHBondContact O-N 2.56Å; K21-N24 PolarHBondContact O-N 3.03Å; K21-N24 VanDerWaalsContact O-N 3.15Å
25I92.3Very high92.9Very high14 Ų1461.4 Ų61.47%0.07230%0.298CS..EExtended strand (participates in β ladder)trans-131.8137.5-178.9-169.7172.2000111.6L20 Y23 L27 L106 F110 L125L20-I25 HydrophobicContact CB-CG2 3.93Å; L20-I25 PolarHBondContact N-O 3.43Å; L20-I25 PolarHBondContact O-N 3.33Å; Y23-I25 PolarHBondContact O-N 2.77Å; I25-L27 HydrophobicContact CD1-CD2 3.42Å; I25-L27 VanDerWaalsContact CD1-CD2 3.42Å; I25-L27 HydrophobicContact CD1-CG 4.44Å; I25-L27 HydrophobicContact CG1-CD2 3.83Å; I25-L27 HydrophobicContact CG1-CG 4.41Å; I25-L27 HydrophobicContact CG2-CD2 4.3Å; I25-L27 HydrophobicContact CG2-CG 4.31Å; I25-L106 HydrophobicContact CD1-CD2 3.84Å; I25-F110 HydrophobicContact CB-CE1 3.82Å; I25-F110 HydrophobicContact CB-CZ 4.01Å; I25-F110 HydrophobicContact CD1-CD1 3.96Å; I25-F110 HydrophobicContact CD1-CD2 4.04Å; I25-F110 HydrophobicContact CD1-CE1 3.67Å; I25-F110 HydrophobicContact CD1-CE2 3.75Å; I25-F110 HydrophobicContact CD1-CG 4.16Å; I25-F110 HydrophobicContact CD1-CZ 3.58Å; I25-F110 HydrophobicContact CG1-CE1 4.2Å; I25-F110 HydrophobicContact CG1-CZ 4.05Å; I25-F110 HydrophobicContact CG2-CE1 4.24Å; I25-L125 HydrophobicContact CG2-CD1 4.45Å
26Q94.9Very high92.6Very high84 Ų8460.3 Ų60.339%0.39330%0.303SS..EExtended strand (participates in β ladder)trans-101.7112.2166.2-174.1178.955.700108.7I17 E19I17-Q26 HydrophobicContact CG2-CG 3.39Å; E19-Q26 HydrophobicContact CG-CG 4.24Å
27L95.1Very high92.5Very high0 Ų060 Ų600%030%0.304CS..EExtended strand (participates in β ladder)trans-90.7132.6-179.7-63.6177.5000110.5I17 C18 L20 I25 L42 L106 V129I17-L27 CarbonylContact C-O 3.58Å; I17-L27 WeakPolarHBondContact CA-O 3.07Å; C18-L27 HydrophobicContact CB-CB 4.3Å; C18-L27 PolarHBondContact N-O 2.82Å; C18-L27 PolarHBondContact O-N 3.07Å; L20-L27 HydrophobicContact CD1-CD1 3.41Å; L20-L27 VanDerWaalsContact CD1-CD1 3.41Å; L20-L27 HydrophobicContact CD1-CG 4.33Å; L20-L27 HydrophobicContact CG-CD1 3.96Å; I25-L27 HydrophobicContact CD1-CD2 3.42Å; I25-L27 VanDerWaalsContact CD1-CD2 3.42Å; I25-L27 HydrophobicContact CD1-CG 4.44Å; I25-L27 HydrophobicContact CG1-CD2 3.83Å; I25-L27 HydrophobicContact CG1-CG 4.41Å; I25-L27 HydrophobicContact CG2-CD2 4.3Å; I25-L27 HydrophobicContact CG2-CG 4.31Å; L27-L42 HydrophobicContact CB-CD1 3.96Å; L27-L42 HydrophobicContact CD1-CD1 3.97Å; L27-L42 HydrophobicContact CD2-CD1 3.83Å; L27-L42 HydrophobicContact CG-CD1 4.14Å; L27-L106 HydrophobicContact CD2-CD1 4.22Å; L27-L106 HydrophobicContact CD2-CD2 3.66Å; L27-V129 HydrophobicContact CD1-CG2 3.62Å
28K95.9Very high92.5Very high34 Ų3456.1 Ų56.115%0.14828%0.284CS..EExtended strand (participates in β ladder)trans-97.1120.5163.8-69.8-175.3174.7-175.10108.8W41 L42 G43 E45K28-W41 HydrophobicContact CB-CH2 4.45Å; K28-W41 HydrophobicContact CB-CZ3 3.79Å; K28-L42 WeakPolarHBondContact O-CA 3.47Å; K28-G43 PolarHBondContact N-O 2.9Å; K28-G43 PolarHBondContact O-N 3.24Å; K28-E45 WeakPolarHBondContact CE-OE1 3.41Å; K28-E45 IonicContact NZ-OE1 3.52Å; K28-E45 PolarHBondContact NZ-OE1 2.91Å; K28-E45 IonicContact NZ-OE2 2.62Å; K28-E45 PolarHBondContact NZ-OE2 2.96Å
29L95.8Very high92.6Very high2 Ų258 Ų581%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-103121.6169.8-66175.3000108.3Q15 I16 F31 W41 L42 C132 I133Q15-L29 CarbonylContact C-O 3.58Å; Q15-L29 VanDerWaalsContact CA-O 3.29Å; Q15-L29 WeakPolarHBondContact CA-O 3.46Å; I16-L29 HydrophobicContact CB-CB 4.37Å; I16-L29 PolarHBondContact N-O 2.89Å; I16-L29 PolarHBondContact O-N 3Å; L29-F31 HydrophobicContact CB-CD2 4.43Å; L29-F31 HydrophobicContact CB-CE2 3.63Å; L29-F31 HydrophobicContact CB-CZ 3.98Å; L29-F31 HydrophobicContact CD1-CE2 4.3Å; L29-F31 HydrophobicContact CD1-CZ 4.08Å; L29-W41 WeakPolarHBondContact CA-O 3.28Å; L29-L42 HydrophobicContact CD2-CB 4.19Å; L29-L42 HydrophobicContact CD2-CD1 3.47Å; L29-L42 VanDerWaalsContact CD2-CD1 3.47Å; L29-L42 HydrophobicContact CD2-CG 4.4Å; L29-L42 HydrophobicContact CG-CD1 4.41Å; L29-C132 HydrophobicContact CD1-CB 4Å; L29-I133 HydrophobicContact CD1-CG1 4.07Å; L29-I133 HydrophobicContact CD2-CD1 4.13Å; L29-I133 HydrophobicContact CD2-CG1 3.72Å
30L95.2Very high92.7Very high58 Ų5852.2 Ų52.230%0.30426%0.264SS..EExtended strand (participates in β ladder)trans-110.6125.1170.2-175.8150.6000108.6R14 L32 F39 I40 W41R14-L30 WeakPolarHBondContact O-CA 3.24Å; L30-L32 HydrophobicContact CD2-CB 4.36Å; L30-F39 HydrophobicContact CD2-CD1 4.28Å; L30-F39 HydrophobicContact CD2-CE1 4.36Å; L30-I40 WeakPolarHBondContact O-CA 3.15Å; L30-W41 HydrophobicContact CB-CB 4.3Å; L30-W41 HydrophobicContact CB-CE3 3.98Å; L30-W41 PolarHBondContact N-O 3.04Å; L30-W41 PolarHBondContact O-N 2.99Å
31F94.9Very high92.9Very high2 Ų254 Ų541%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-111.1133.8174-57.7-85.2000108.2S13 R14 I16 L29 F39 I40 I133 N136 L137 I140S13-F31 CarbonylContact C-O 3.54Å; S13-F31 WeakPolarHBondContact CA-O 3.37Å; R14-F31 PolarHBondContact N-O 3.26Å; R14-F31 PolarHBondContact O-N 3.32Å; I16-F31 HydrophobicContact CB-CE2 4.47Å; I16-F31 HydrophobicContact CD1-CD2 4.23Å; I16-F31 HydrophobicContact CD1-CE2 3.79Å; I16-F31 HydrophobicContact CG1-CD2 4.44Å; I16-F31 HydrophobicContact CG1-CE2 4.18Å; L29-F31 HydrophobicContact CB-CD2 4.43Å; L29-F31 HydrophobicContact CB-CE2 3.63Å; L29-F31 HydrophobicContact CB-CZ 3.98Å; L29-F31 HydrophobicContact CD1-CE2 4.3Å; L29-F31 HydrophobicContact CD1-CZ 4.08Å; F31-F39 WeakPolarHBondContact CA-O 3.44Å; F31-I40 HydrophobicContact CD1-CD1 4.47Å; F31-I40 HydrophobicContact CD1-CG1 4.03Å; F31-I40 HydrophobicContact CD1-CG2 4.31Å; F31-I40 HydrophobicContact CE1-CD1 4.42Å; F31-I40 HydrophobicContact CE1-CG1 4.35Å; F31-I40 HydrophobicContact CE1-CG2 4.1Å; F31-I133 HydrophobicContact CE1-CG2 4.24Å; F31-N136 HydrophobicContact CE2-CB 4.12Å; F31-N136 HydrophobicContact CZ-CB 4.08Å; F31-L137 HydrophobicContact CD1-CD2 3.48Å; F31-L137 VanDerWaalsContact CD1-CD2 3.48Å; F31-L137 HydrophobicContact CD1-CG 4.13Å; F31-L137 HydrophobicContact CE1-CD2 3.6Å; F31-L137 HydrophobicContact CE1-CG 3.7Å; F31-I140 HydrophobicContact CB-CD1 3.55Å; F31-I140 HydrophobicContact CD1-CD1 3.83Å; F31-I140 HydrophobicContact CD2-CD1 3.41Å; F31-I140 VanDerWaalsContact CD2-CD1 3.41Å; F31-I140 HydrophobicContact CE1-CD1 4.38Å; F31-I140 HydrophobicContact CE2-CD1 4Å; F31-I140 HydrophobicContact CG-CD1 3.3Å; F31-I140 HydrophobicContact CZ-CD1 4.44Å
32L94.1Very high93.1Very high38 Ų3846.3 Ų46.320%0.19924%0.236CC..EExtended strand (participates in β ladder)trans-128.7115.7169.8171.567.5000108.2F11 L30 L34 L38 F39F11-L32 HydrophobicContact CB-CD1 3.99Å; F11-L32 HydrophobicContact CD1-CD1 4.27Å; L30-L32 HydrophobicContact CD2-CB 4.36Å; L32-L34 HydrophobicContact CD1-CD2 4.18Å; L32-L34 HydrophobicContact CD2-CD2 4.18Å; L32-L34 HydrophobicContact CG-CD2 4.04Å; L32-L34 HydrophobicContact CG-CG 4.33Å; L32-L38 WeakPolarHBondContact O-CA 3.33Å; L32-F39 HydrophobicContact CB-CB 4.18Å; L32-F39 HydrophobicContact CB-CD1 4.45Å; L32-F39 PolarHBondContact N-O 3.03Å; L32-F39 PolarHBondContact O-N 3.31Å
33R91.4Very high93.3Very high60 Ų6041.8 Ų41.823%0.22622%0.215CC..EExtended strand (participates in β ladder)trans-94.7125.3173-179.1179.4178.3-172.1-2.4109.3D12 L38 I140 I141 S143D12-R33 HydrophobicContact CB-CB 4.31Å; D12-R33 PolarHBondContact N-O 3.35Å; D12-R33 PolarHBondContact O-N 2.88Å; R33-L38 HydrophobicContact CB-CD2 3.73Å; R33-L38 HydrophobicContact CG-CD2 3.83Å; R33-I140 HydrophobicContact CB-CG2 4.43Å; R33-I140 PolarHBondContact NH1-O 3.17Å; R33-I141 PolarHBondContact NH1-O 3.01Å; R33-S143 PolarHBondContact NH1-OXT 3.23Å
34L88.6Confident93.2Very high52 Ų5242.1 Ų42.127%0.27222%0.219SC..EExtended strand (participates in β ladder)trans-111172.4170.1-55.1178000108.2P10 F11 L32 S36 C37P10-L34 WeakPolarHBondContact O-CD2 3.32Å; F11-L34 HydrophobicContact CD1-CD2 3.33Å; F11-L34 HydrophobicContact CE1-CD2 3.66Å; F11-L34 HydrophobicContact CG-CD2 4.31Å; L32-L34 HydrophobicContact CD1-CD2 4.18Å; L32-L34 HydrophobicContact CD2-CD2 4.18Å; L32-L34 HydrophobicContact CG-CD2 4.04Å; L32-L34 HydrophobicContact CG-CG 4.33Å; L34-S36 PolarHBondContact O-N 3.03Å; L34-C37 PolarHBondContact N-O 3.23Å
35N83.9Confident92.6Very high128 Ų12841.4 Ų41.468%0.68421%0.21SC*.THydrogen-bonded Turntrans-52.3-28-174.3-71.9-13.9000115.2
36S86.9Confident92.2Very high93 Ų9348.7 Ų48.765%0.6524%0.244SC*.THydrogen-bonded Turntrans-145.712.2-176.4-53.10000113.9L34 P99L34-S36 PolarHBondContact O-N 3.03Å; S36-P99 WeakPolarHBondContact O-CD 3.39Å
37C92.7Very high91.7Very high27 Ų2746 Ų4618%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-151.2163.4179.7630000111.4L34 P99 F101L34-C37 PolarHBondContact N-O 3.23Å; C37-P99 VanDerWaalsContact CA-O 3.28Å; C37-P99 WeakPolarHBondContact CA-O 3.3Å; C37-P99 HydrophobicContact CB-CB 3.71Å; C37-P99 HydrophobicContact CB-CG 4.4Å; C37-P99 VanDerWaalsContact CB-O 3.26Å; C37-P99 WeakPolarHBondContact CB-O 3.4Å; C37-F101 HydrophobicContact CB-CE2 4.31Å
38L94.7Very high91.4Very high7 Ų754.5 Ų54.54%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-123.4137.9176.5-62.5162000109.2L32 R33 P99 I100 F101 L137 I141L32-L38 WeakPolarHBondContact O-CA 3.33Å; R33-L38 HydrophobicContact CB-CD2 3.73Å; R33-L38 HydrophobicContact CG-CD2 3.83Å; L38-P99 PolarHBondContact N-O 3.39Å; L38-I100 HydrophobicContact CB-CD1 3.69Å; L38-I100 HydrophobicContact CD1-CD1 3.7Å; L38-I100 HydrophobicContact CG-CD1 4.13Å; L38-I100 WeakPolarHBondContact O-CA 3.46Å; L38-F101 PolarHBondContact O-N 3.11Å; L38-L137 HydrophobicContact CD1-CD2 4.48Å; L38-I141 HydrophobicContact CD1-CD1 3.52Å; L38-I141 HydrophobicContact CD1-CG1 4.1Å; L38-I141 HydrophobicContact CD2-CG1 4.35Å
39F95.9Very high91.1Very high54 Ų5457.1 Ų57.124%0.23729%0.286CS..EExtended strand (participates in β ladder)trans-112.5132.6169175.9-82.6000109L30 F31 L32 W41 L52 F101L30-F39 HydrophobicContact CD2-CD1 4.28Å; L30-F39 HydrophobicContact CD2-CE1 4.36Å; F31-F39 WeakPolarHBondContact CA-O 3.44Å; L32-F39 HydrophobicContact CB-CB 4.18Å; L32-F39 HydrophobicContact CB-CD1 4.45Å; L32-F39 PolarHBondContact N-O 3.03Å; L32-F39 PolarHBondContact O-N 3.31Å; F39-W41 HydrophobicContact CE1-CB 3.62Å; F39-W41 HydrophobicContact CZ-CB 4.15Å; F39-L52 HydrophobicContact CD2-CD1 4.39Å; F39-L52 HydrophobicContact CE2-CD1 3.66Å; F39-L52 HydrophobicContact CZ-CD1 4.48Å; F39-F101 HydrophobicContact CB-CB 4.31Å; F39-F101 HydrophobicContact CD2-CB 3.58Å; F39-F101 HydrophobicContact CD2-CG 4.41Å; F39-F101 HydrophobicContact CE2-CB 4.35Å; F39-F101 HydrophobicContact CG-CB 4.33Å
40I97Very high90.8Very high1 Ų157.9 Ų57.91%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-127.9123.5-178.6-54.2175000107.9L30 F31 I92 I100 F101 V102 S103 I133 L137L30-I40 WeakPolarHBondContact O-CA 3.15Å; F31-I40 HydrophobicContact CD1-CD1 4.47Å; F31-I40 HydrophobicContact CD1-CG1 4.03Å; F31-I40 HydrophobicContact CD1-CG2 4.31Å; F31-I40 HydrophobicContact CE1-CD1 4.42Å; F31-I40 HydrophobicContact CE1-CG1 4.35Å; F31-I40 HydrophobicContact CE1-CG2 4.1Å; I40-I92 HydrophobicContact CD1-CD1 3.42Å; I40-I92 VanDerWaalsContact CD1-CD1 3.42Å; I40-I92 HydrophobicContact CD1-CG2 4.15Å; I40-I100 HydrophobicContact CD1-CG2 4.2Å; I40-F101 PolarHBondContact N-O 2.9Å; I40-V102 CarbonylContact O-C 3.54Å; I40-V102 WeakPolarHBondContact O-CA 3.18Å; I40-S103 PolarHBondContact O-N 2.87Å; I40-I133 HydrophobicContact CD1-CG2 4.24Å; I40-I133 HydrophobicContact CG2-CD1 4.35Å; I40-L137 HydrophobicContact CD1-CD1 3.9Å; I40-L137 HydrophobicContact CD1-CD2 4.11Å; I40-L137 HydrophobicContact CD1-CG 4.48Å
41W96.9Very high90.8Very high48 Ų4855.1 Ų55.118%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-119.5135.4172.2174.592.4000110K28 L29 L30 F39 S105K28-W41 HydrophobicContact CB-CH2 4.45Å; K28-W41 HydrophobicContact CB-CZ3 3.79Å; L29-W41 WeakPolarHBondContact CA-O 3.28Å; L30-W41 HydrophobicContact CB-CB 4.3Å; L30-W41 HydrophobicContact CB-CE3 3.98Å; L30-W41 PolarHBondContact N-O 3.04Å; L30-W41 PolarHBondContact O-N 2.99Å; F39-W41 HydrophobicContact CE1-CB 3.62Å; F39-W41 HydrophobicContact CZ-CB 4.15Å; W41-S105 PolarHBondContact NE1-OG 3.22Å
42L96.3Very high90.9Very high2 Ų256.5 Ų56.51%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-120.9127.5176.8170.569.8000108.7L27 K28 L29 S103 I104 S105 L106 W114 V129L27-L42 HydrophobicContact CB-CD1 3.96Å; L27-L42 HydrophobicContact CD1-CD1 3.97Å; L27-L42 HydrophobicContact CD2-CD1 3.83Å; L27-L42 HydrophobicContact CG-CD1 4.14Å; K28-L42 WeakPolarHBondContact O-CA 3.47Å; L29-L42 HydrophobicContact CD2-CB 4.19Å; L29-L42 HydrophobicContact CD2-CD1 3.47Å; L29-L42 VanDerWaalsContact CD2-CD1 3.47Å; L29-L42 HydrophobicContact CD2-CG 4.4Å; L29-L42 HydrophobicContact CG-CD1 4.41Å; L42-S103 PolarHBondContact N-O 2.84Å; L42-I104 HydrophobicContact CD2-CG1 4.12Å; L42-I104 HydrophobicContact CD2-CG2 3.98Å; L42-S105 PolarHBondContact O-N 2.85Å; L42-L106 HydrophobicContact CD2-CD1 4Å; L42-L106 HydrophobicContact CD2-CG 4.46Å; L42-L106 HydrophobicContact CG-CD1 4.32Å; L42-L106 HydrophobicContact CG-CD2 4.48Å; L42-L106 HydrophobicContact CG-CG 4.34Å; L42-W114 HydrophobicContact CD2-CH2 4.1Å; L42-W114 HydrophobicContact CD2-CZ3 4.12Å; L42-V129 HydrophobicContact CD1-CG1 4.43Å; L42-V129 HydrophobicContact CD2-CB 4.49Å; L42-V129 HydrophobicContact CD2-CG1 3.46Å; L42-V129 VanDerWaalsContact CD2-CG1 3.46Å; L42-V129 HydrophobicContact CD2-CG2 4.17Å
43G94.8Very high91Very high0 Ų054.7 Ų54.70%028%0.275CS..EExtended strand (participates in β ladder)trans-164.2-162.4175.300000113.1K28 S47K28-G43 PolarHBondContact N-O 2.9Å; K28-G43 PolarHBondContact O-N 3.24Å; G43-S47 VanDerWaalsContact CA-OG 3.26Å; G43-S47 WeakPolarHBondContact CA-OG 3.35Å
44N88.3Confident91.3Very high28 Ų2852.4 Ų52.415%0.1527%0.268CS..  trans-134.4-172.7171.469.316.2000109.3E46 S47N44-E46 PolarHBondContact O-N 3.21Å; N44-E46 PolarHBondContact OD1-N 3.41Å; N44-S47 PolarHBondContact N-OG 2.68Å; N44-S47 WeakPolarHBondContact O-CB 3.41Å; N44-S47 PolarHBondContact O-N 3.02Å; N44-S47 PolarHBondContact O-OG 3.41Å; N44-S47 PolarHBondContact OD1-N 3.34Å; N44-S47 PolarHBondContact OD1-OG 3.48Å
45E78.7Confident91.7Very high138 Ų13850 Ų5065%0.64526%0.255SS*.THydrogen-bonded Turntrans-62.3-25.7-179-66-67.9173.200114.3K28K28-E45 WeakPolarHBondContact CE-OE1 3.41Å; K28-E45 IonicContact NZ-OE1 3.52Å; K28-E45 PolarHBondContact NZ-OE1 2.91Å; K28-E45 IonicContact NZ-OE2 2.62Å; K28-E45 PolarHBondContact NZ-OE2 2.96Å
46E83.4Confident92.2Very high166 Ų16647.6 Ų47.678%0.77624%0.242SC*.THydrogen-bonded Turntrans-100.9-2.2-174.3-58.4-177170.700112.4N44 K48N44-E46 PolarHBondContact O-N 3.21Å; N44-E46 PolarHBondContact OD1-N 3.41Å; E46-K48 PolarHBondContact O-N 3.42Å
47S86.1Confident92.4Very high28 Ų2845.2 Ų45.220%0.19623%0.225CC..  trans-63.3130-173.1-770000113.1G43 N44 S105G43-S47 VanDerWaalsContact CA-OG 3.26Å; G43-S47 WeakPolarHBondContact CA-OG 3.35Å; N44-S47 PolarHBondContact N-OG 2.68Å; N44-S47 WeakPolarHBondContact O-CB 3.41Å; N44-S47 PolarHBondContact O-N 3.02Å; N44-S47 PolarHBondContact O-OG 3.41Å; N44-S47 PolarHBondContact OD1-N 3.34Å; N44-S47 PolarHBondContact OD1-OG 3.48Å; S47-S105 WeakPolarHBondContact CB-O 3.48Å; S47-S105 PolarHBondContact OG-O 3.01Å
48K87.7Confident92.1Very high179 Ų17944.8 Ų44.878%0.77822%0.222SC*.  trans-105.2143.1163.7-64.8179.6-178.3176.10108.7E46 S50 S105E46-K48 PolarHBondContact O-N 3.42Å; K48-S50 PolarHBondContact O-N 3.04Å; K48-S105 WeakPolarHBondContact O-CB 3.11Å
49L90.4Very high91.4Very high88 Ų8854 Ų5446%0.46127%0.265SS..  trans-57.4111.7174.8-168.777.8000109.6Y71 S103 S105L49-Y71 HydrophobicContact CD2-CD1 4.28Å; L49-Y71 HydrophobicContact CD2-CE1 4.24Å; L49-Y71 HydrophobicContact CG-CD1 4.49Å; L49-Y71 HydrophobicContact CG-CE1 4.3Å; L49-S103 WeakPolarHBondContact CD1-OG 3.15Å; L49-S105 WeakPolarHBondContact CA-OG 3.37Å
50S89.5Confident90.8Very high19 Ų1959 Ų5913%0.13329%0.293CS..  trans-102.9-28.4-17851.50000112.7K48 S72 V73 N79 I104K48-S50 PolarHBondContact O-N 3.04Å; S50-S72 WeakPolarHBondContact O-CA 3.33Å; S50-V73 PolarHBondContact O-N 2.71Å; S50-N79 WeakPolarHBondContact O-CB 3.48Å; S50-N79 PolarHBondContact OG-OD1 3.07Å; S50-I104 PolarHBondContact OG-O 3.47Å; S50-I104 VanDerWaalsContact OG-O 3.08Å
51G93.9Very high90Very high0 Ų060.6 Ų60.60%030%0.303CS..EExtended strand (participates in β ladder)trans-161.5168.9178.300000113.5Y71 N79 S103G51-Y71 CarbonylContact C-O 3.56Å; G51-Y71 WeakPolarHBondContact CA-O 3.45Å; G51-N79 WeakPolarHBondContact CA-ND2 3.4Å; G51-S103 WeakPolarHBondContact O-CB 3.41Å; G51-S103 PolarHBondContact O-OG 3.04Å
52L97.1Very high88.9Confident30 Ų3065 Ų6516%0.15734%0.336CS..EExtended strand (participates in β ladder)trans-152.7121.8176.7-178.765.6000108.4F39 I70 Y71 E85 F101 V102F39-L52 HydrophobicContact CD2-CD1 4.39Å; F39-L52 HydrophobicContact CE2-CD1 3.66Å; F39-L52 HydrophobicContact CZ-CD1 4.48Å; L52-I70 HydrophobicContact CD2-CB 4.37Å; L52-I70 HydrophobicContact CD2-CD1 4.17Å; L52-I70 HydrophobicContact CD2-CG2 4.49Å; L52-I70 HydrophobicContact CG-CB 4.45Å; L52-I70 HydrophobicContact CG-CD1 4.29Å; L52-I70 PolarHBondContact O-N 2.97Å; L52-Y71 PolarHBondContact N-O 2.89Å; L52-Y71 PolarHBondContact O-N 2.83Å; L52-Y71 VanDerWaalsContact O-N 3.14Å; L52-E85 PolarHBondContact N-OE2 2.77Å; L52-F101 HydrophobicContact CD1-CB 4.23Å; L52-V102 WeakPolarHBondContact CA-O 3.41Å
53S97.6Very high88Confident0 Ų068.9 Ų68.90%036%0.363CS..EExtended strand (participates in β ladder)trans-117.6155.2172.4-60.20000110.9T68 T69 E85 F101 V102S53-T68 WeakPolarHBondContact CA-O 3.26Å; S53-T69 PolarHBondContact OG-OG1 2.96Å; S53-E85 WeakPolarHBondContact OG-CB 3.33Å; S53-F101 CarbonylContact O-C 3.56Å; S53-F101 WeakPolarHBondContact O-CA 3.38Å; S53-V102 PolarHBondContact N-O 3.01Å; S53-V102 PolarHBondContact O-N 2.94Å
54V97.7Very high87.4Confident13 Ų1373 Ų738%0.07939%0.385CS..EExtended strand (participates in β ladder)trans-130.4146.1177.865.30000110.3L56 S67 T68 I70 I100 F101V54-L56 HydrophobicContact CG2-CD2 4.09Å; V54-S67 CarbonylContact O-C 3.46Å; V54-S67 WeakPolarHBondContact O-CA 3.26Å; V54-S67 WeakPolarHBondContact O-CB 3.28Å; V54-T68 HydrophobicContact CG1-CG2 3.71Å; V54-T68 PolarHBondContact N-O 3.04Å; V54-T68 PolarHBondContact O-N 3.19Å; V54-I70 HydrophobicContact CB-CD1 3.61Å; V54-I70 HydrophobicContact CB-CG1 4.27Å; V54-I70 HydrophobicContact CG1-CD1 3.54Å; V54-I70 HydrophobicContact CG1-CG1 3.73Å; V54-I100 CarbonylContact C-O 3.57Å; V54-I100 VanDerWaalsContact CA-O 3.26Å; V54-I100 WeakPolarHBondContact CA-O 3.37Å; V54-I100 WeakPolarHBondContact CG2-O 3.12Å; V54-F101 HydrophobicContact CB-CD1 3.84Å; V54-F101 HydrophobicContact CB-CE1 3.94Å; V54-F101 HydrophobicContact CB-CG 4.47Å; V54-F101 HydrophobicContact CG2-CD1 3.72Å; V54-F101 HydrophobicContact CG2-CD2 4.31Å; V54-F101 HydrophobicContact CG2-CE1 3.56Å; V54-F101 HydrophobicContact CG2-CE2 4.15Å; V54-F101 HydrophobicContact CG2-CG 4.1Å; V54-F101 HydrophobicContact CG2-CZ 3.78Å
55C97.1Very high87.3Confident0 Ų074.4 Ų74.40%039%0.391CS..EExtended strand (participates in β ladder)trans-127.3136.9164.2174.50000110.5Q65 H66 S89 C90 S93 P99 I100C55-Q65 PolarHBondContact SG-NE2 3.09Å; C55-H66 CarbonylContact C-O 3.57Å; C55-H66 WeakPolarHBondContact CA-O 3.39Å; C55-S89 VanDerWaalsContact CB-C 3.43Å; C55-S89 VanDerWaalsContact CB-OG 3.25Å; C55-S89 WeakPolarHBondContact CB-OG 3.25Å; C55-S89 PolarHBondContact N-OG 3.03Å; C55-C90 HydrophobicContact CB-CB 4.46Å; C55-C90 VanDerWaalsContact SG-CA 3.6Å; C55-C90 VanDerWaalsContact SG-SG 3.63Å; C55-S93 VanDerWaalsContact SG-CB 3.54Å; C55-P99 CarbonylContact O-C 3.59Å; C55-P99 WeakPolarHBondContact O-CA 3.25Å; C55-I100 PolarHBondContact N-O 2.92Å; C55-I100 PolarHBondContact O-N 3.26Å
56L94.3Very high87.9Confident78 Ų7873.1 Ų73.141%0.40839%0.385SS..EExtended strand (participates in β ladder)trans-113.8136.8174.2-52.5175.1000109.5V54 H66 P99V54-L56 HydrophobicContact CG2-CD2 4.09Å; L56-H66 PolarHBondContact N-O 3.07Å; L56-H66 PolarHBondContact O-N 3.37Å; L56-P99 HydrophobicContact CD2-CB 3.44Å; L56-P99 VanDerWaalsContact CD2-CB 3.44Å; L56-P99 HydrophobicContact CD2-CG 3.6Å
57P89.8Confident88.5Confident43 Ų4367.4 Ų67.428%0.27936%0.363SS..EExtended strand (participates in β ladder)trans-66139.2169.129.3-33000109.2
58S87.2Confident88.9Confident18 Ų1869.9 Ų69.913%0.12638%0.377CS..  trans-70.2137.6174.8-175.20000110.5I60 S61 N64 H66S58-I60 PolarHBondContact O-N 2.9Å; S58-I60 PolarHBondContact OG-N 2.89Å; S58-S61 WeakPolarHBondContact CB-O 3.38Å; S58-N64 WeakPolarHBondContact CB-O 3.46Å; S58-N64 PolarHBondContact N-O 2.66Å; S58-H66 PolarHBondContact OG-NE2 2.92Å
59Q80.7Confident89.3Confident201 Ų20163.7 Ų63.794%0.93935%0.354SS*.SBendtrans-75.8-12.9171.6-65.1-176.9-11.600112.5
60I82.4Confident89.5Confident160 Ų16064 Ų6482%0.82136%0.355SS*.SBendtrans-100.4-35.7-172.2-56171.6000111.1S58S58-I60 PolarHBondContact O-N 2.9Å; S58-I60 PolarHBondContact OG-N 2.89Å
61S79.7Confident89.6Confident33 Ų3368 Ų6823%0.23137%0.369CS..  trans-142.2136.9-179177.30000111.8S58 S63 N64S58-S61 WeakPolarHBondContact CB-O 3.38Å; S61-S63 PolarHBondContact O-N 2.99Å; S61-S63 PolarHBondContact OG-N 2.94Å; S61-S63 PolarHBondContact OG-OG 2.78Å; S61-N64 PolarHBondContact O-N 2.76Å
62T74.8Confident89.6Confident140 Ų14069.8 Ų69.886%0.85938%0.381SS*.THydrogen-bonded Turntrans-69.2-14.617155.60000113
63S76.6Confident89.1Confident85 Ų8570 Ų7059%0.59438%0.383SS*.THydrogen-bonded Turntrans-89.1-18.3176.570.90000113.6S61S61-S63 PolarHBondContact O-N 2.99Å; S61-S63 PolarHBondContact OG-N 2.94Å; S61-S63 PolarHBondContact OG-OG 2.78Å
64N82.5Confident88.2Confident86 Ų8676.2 Ų76.246%0.4642%0.421SS..  trans-104.8142.2-172.1-64.2-8000110.4S58 S61S58-N64 WeakPolarHBondContact CB-O 3.46Å; S58-N64 PolarHBondContact N-O 2.66Å; S61-N64 PolarHBondContact O-N 2.76Å
65Q86.3Confident86.9Confident58 Ų5878.3 Ų78.327%0.27145%0.445SS..EExtended strand (participates in β ladder)trans-131.9152.8175-65-174.5-76.500108.7C55 C90C55-Q65 PolarHBondContact SG-NE2 3.09Å; Q65-C90 PolarHBondContact NE2-O 3.43Å; Q65-C90 PolarHBondContact OE1-O 3.38Å
66H92.1Very high85.3Confident111 Ų11184.1 Ų84.151%0.51449%0.493SS..EExtended strand (participates in β ladder)trans-117.9117.9175.4-59.2-72000108.2C55 L56 S58C55-H66 CarbonylContact C-O 3.57Å; C55-H66 WeakPolarHBondContact CA-O 3.39Å; L56-H66 PolarHBondContact N-O 3.07Å; L56-H66 PolarHBondContact O-N 3.37Å; S58-H66 PolarHBondContact OG-NE2 2.92Å
67S95.2Very high84Confident46 Ų4684.4 Ų84.432%0.32250%0.502SS..EExtended strand (participates in β ladder)trans-126.1154.5-179.557.50000111.8V54 E86 C90V54-S67 CarbonylContact O-C 3.46Å; V54-S67 WeakPolarHBondContact O-CA 3.26Å; V54-S67 WeakPolarHBondContact O-CB 3.28Å; S67-E86 VanDerWaalsContact CB-OE1 3.24Å; S67-E86 WeakPolarHBondContact CB-OE1 3.37Å; S67-E86 PolarHBondContact OG-OE1 3.04Å; S67-C90 WeakPolarHBondContact CB-SG 3.47Å
68T95.2Very high83.5Confident79 Ų7990.8 Ų90.849%0.48552%0.52SS..EExtended strand (participates in β ladder)trans-162.1153.7175-171.90000110.6S53 V54S53-T68 WeakPolarHBondContact CA-O 3.26Å; V54-T68 HydrophobicContact CG1-CG2 3.71Å; V54-T68 PolarHBondContact N-O 3.04Å; V54-T68 PolarHBondContact O-N 3.19Å
69T95.1Very high83.5Confident49 Ų4990.1 Ų90.130%0.30152%0.515SS..EExtended strand (participates in β ladder)trans-82.5117.5165.9-560000109.5S53 Y71S53-T69 PolarHBondContact OG-OG1 2.96Å; T69-Y71 VanDerWaalsContact CG2-O 3.25Å; T69-Y71 WeakPolarHBondContact CG2-O 3.3Å
70I94Very high84Confident94 Ų9482.5 Ų82.548%0.48248%0.483SS..EExtended strand (participates in β ladder)trans-80.8-39.1178.6-59.8165.5000110.7L52 V54 F101L52-I70 HydrophobicContact CD2-CB 4.37Å; L52-I70 HydrophobicContact CD2-CD1 4.17Å; L52-I70 HydrophobicContact CD2-CG2 4.49Å; L52-I70 HydrophobicContact CG-CB 4.45Å; L52-I70 HydrophobicContact CG-CD1 4.29Å; L52-I70 PolarHBondContact O-N 2.97Å; V54-I70 HydrophobicContact CB-CD1 3.61Å; V54-I70 HydrophobicContact CB-CG1 4.27Å; V54-I70 HydrophobicContact CG1-CD1 3.54Å; V54-I70 HydrophobicContact CG1-CG1 3.73Å; I70-F101 HydrophobicContact CD1-CD1 3.7Å; I70-F101 HydrophobicContact CD1-CE1 3.63Å
71Y93.3Very high84.5Confident105 Ų10574.9 Ų74.941%0.41244%0.444SS..EExtended strand (participates in β ladder)trans-141.8138.4-177.7172.2-102.6000109.7L49 G51 L52 T69 V73L49-Y71 HydrophobicContact CD2-CD1 4.28Å; L49-Y71 HydrophobicContact CD2-CE1 4.24Å; L49-Y71 HydrophobicContact CG-CD1 4.49Å; L49-Y71 HydrophobicContact CG-CE1 4.3Å; G51-Y71 CarbonylContact C-O 3.56Å; G51-Y71 WeakPolarHBondContact CA-O 3.45Å; L52-Y71 PolarHBondContact N-O 2.89Å; L52-Y71 PolarHBondContact O-N 2.83Å; L52-Y71 VanDerWaalsContact O-N 3.14Å; T69-Y71 VanDerWaalsContact CG2-O 3.25Å; T69-Y71 WeakPolarHBondContact CG2-O 3.3Å; Y71-V73 HydrophobicContact CE1-CG2 4.08Å; Y71-V73 VanDerWaalsContact OH-CG2 3.29Å; Y71-V73 WeakPolarHBondContact OH-CG2 3.3Å
72S91.9Very high85.2Confident36 Ų3674.1 Ų74.125%0.25244%0.439SS..EExtended strand (participates in β ladder)trans-149.1132.9167.7171.60000107.7S50 T74 N79S50-S72 WeakPolarHBondContact O-CA 3.33Å; S72-T74 PolarHBondContact O-N 3.42Å; S72-T74 VanDerWaalsContact O-N 3.17Å; S72-N79 WeakPolarHBondContact OG-CB 3.4Å
73V87.5Confident86.1Confident35 Ų3574 Ų7421%0.21243%0.429CS..  trans-58.8122.6168.6175.30000108.3S50 Y71 S77S50-V73 PolarHBondContact O-N 2.71Å; Y71-V73 HydrophobicContact CE1-CG2 4.08Å; Y71-V73 VanDerWaalsContact OH-CG2 3.29Å; Y71-V73 WeakPolarHBondContact OH-CG2 3.3Å; V73-S77 WeakPolarHBondContact CG1-O 3.26Å
74T78.7Confident87Confident131 Ų13172 Ų7280%0.80441%0.408SS*.  trans-97.5138.3173.956.50000109.6S72S72-T74 PolarHBondContact O-N 3.42Å; S72-T74 VanDerWaalsContact O-N 3.17Å
75G71.5Confident87.6Confident56 Ų5667.9 Ų67.958%0.57739%0.386SS*.SBendtrans130.6-157.5176.300000112.9S77 R78G75-S77 PolarHBondContact O-N 3.02Å; G75-S77 VanDerWaalsContact O-N 3.17Å; G75-R78 PolarHBondContact O-N 3.42Å
76A62.1Low88.1Confident122 Ų12267.9 Ų67.9100%1.00839%0.386SS*.THydrogen-bonded Turntrans-59-27.2-179.200000112.9
77S67.3Low88.3Confident84 Ų8467 Ų6759%0.58739%0.385SS*.THydrogen-bonded Turntrans-104.153.6175.259.80000111.4V73 G75 N79V73-S77 WeakPolarHBondContact CG1-O 3.26Å; G75-S77 PolarHBondContact O-N 3.02Å; G75-S77 VanDerWaalsContact O-N 3.17Å; S77-N79 PolarHBondContact O-N 2.9Å
78R79.9Confident88.3Confident178 Ų17864.9 Ų64.967%0.67237%0.37SS*.  trans-54.1138174.4-179.3178.5178.8-174.9-1.8109.7G75 P80G75-R78 PolarHBondContact O-N 3.42Å; R78-P80 WeakPolarHBondContact O-CD 3.39Å; R78-P80 VanDerWaalsContact O-N 3.08Å
79N85.7Confident88.4Confident3 Ų361.1 Ų61.12%0.01635%0.347CS..  trans-63108.4174.2-17723.2000110.7S50 G51 S72 S77 F81 S82 E85S50-N79 WeakPolarHBondContact O-CB 3.48Å; S50-N79 PolarHBondContact OG-OD1 3.07Å; G51-N79 WeakPolarHBondContact CA-ND2 3.4Å; S72-N79 WeakPolarHBondContact OG-CB 3.4Å; S77-N79 PolarHBondContact O-N 2.9Å; N79-F81 PolarHBondContact O-N 2.9Å; N79-F81 PolarHBondContact OD1-N 2.81Å; N79-S82 PolarHBondContact ND2-N 3.4Å; N79-S82 PolarHBondContact ND2-OG 3.13Å; N79-S82 PolarHBondContact O-OG 3.23Å; N79-S82 VanDerWaalsContact O-OG 3.13Å; N79-E85 VanDerWaalsContact ND2-CD 3.32Å; N79-E85 PolarHBondContact ND2-OE1 2.84Å; N79-E85 VanDerWaalsContact ND2-OE1 3.11Å; N79-E85 PolarHBondContact ND2-OE2 3.06Å; N79-E85 VanDerWaalsContact ND2-OE2 3.11Å
80P91.3Very high88.4Confident41 Ų4159.8 Ų59.827%0.26634%0.34SS..THydrogen-bonded Turntrans-78-6-178.737.4-37.2000111.8R78 Y108 A111R78-P80 WeakPolarHBondContact O-CD 3.39Å; R78-P80 VanDerWaalsContact O-N 3.08Å; P80-Y108 HydrophobicContact CB-CD2 3.79Å; P80-Y108 HydrophobicContact CB-CE2 3.74Å; P80-Y108 HydrophobicContact CG-CD2 3.61Å; P80-Y108 HydrophobicContact CG-CE2 4.12Å; P80-Y108 HydrophobicContact CG-CG 4.4Å; P80-A111 HydrophobicContact CB-CB 3.62Å; P80-A111 HydrophobicContact CG-CB 3.7Å
81F94.5Very high88.4Confident0 Ų059.9 Ų59.90%034%0.337CS..THydrogen-bonded Turntrans-100.31.2-176.6-56.5-84.2000114.1N79 E83 Y84 E85 I104 L106 F110 A111 W114N79-F81 PolarHBondContact O-N 2.9Å; N79-F81 PolarHBondContact OD1-N 2.81Å; F81-E83 VanDerWaalsContact C-N 3.33Å; F81-E83 PolarHBondContact O-N 3.19Å; F81-Y84 HydrophobicContact CB-CD2 4.25Å; F81-Y84 AromaticContact CD1-CD2 3.77Å; F81-Y84 HydrophobicContact CD1-CD2 3.77Å; F81-Y84 HydrophobicContact CD1-CE2 4.35Å; F81-Y84 HydrophobicContact CG-CD2 4.42Å; F81-Y84 CarbonylContact O-C 3.48Å; F81-Y84 WeakPolarHBondContact O-CA 3.5Å; F81-Y84 WeakPolarHBondContact O-CB 3.48Å; F81-Y84 PolarHBondContact O-N 3.11Å; F81-E85 HydrophobicContact CB-CG 4.4Å; F81-E85 WeakPolarHBondContact O-CG 3.15Å; F81-E85 PolarHBondContact O-N 2.84Å; F81-I104 HydrophobicContact CB-CB 3.7Å; F81-I104 HydrophobicContact CB-CD1 4.25Å; F81-I104 HydrophobicContact CB-CG2 3.74Å; F81-I104 HydrophobicContact CD1-CB 4.37Å; F81-I104 HydrophobicContact CD1-CG2 3.47Å; F81-I104 VanDerWaalsContact CD1-CG2 3.47Å; F81-I104 HydrophobicContact CD2-CG2 3.93Å; F81-I104 HydrophobicContact CE1-CG2 4.08Å; F81-I104 HydrophobicContact CE2-CG2 4.47Å; F81-I104 HydrophobicContact CG-CB 4Å; F81-I104 HydrophobicContact CG-CG2 3.44Å; F81-I104 VanDerWaalsContact CG-CG2 3.44Å; F81-L106 HydrophobicContact CE1-CB 4.38Å; F81-L106 HydrophobicContact CE2-CB 3.88Å; F81-L106 VanDerWaalsContact CE2-O 3.25Å; F81-L106 WeakPolarHBondContact CE2-O 3.48Å; F81-L106 HydrophobicContact CZ-CB 3.73Å; F81-F110 HydrophobicContact CZ-CB 4.2Å; F81-A111 HydrophobicContact CE1-CB 4Å; F81-A111 HydrophobicContact CE2-CB 4.43Å; F81-A111 HydrophobicContact CZ-CB 3.84Å; F81-W114 HydrophobicContact CD1-CE3 4.05Å; F81-W114 HydrophobicContact CD1-CZ3 4.39Å; F81-W114 AromaticContact CE1-CE3 4Å; F81-W114 HydrophobicContact CE1-CE3 4Å
82S93.2Very high88.5Confident18 Ų1854.9 Ų54.913%0.12632%0.317CS..Hα-helixtrans-54.2-45.8-172.9-520000113N79 Y84 E85 E86N79-S82 PolarHBondContact ND2-N 3.4Å; N79-S82 PolarHBondContact ND2-OG 3.13Å; N79-S82 PolarHBondContact O-OG 3.23Å; N79-S82 VanDerWaalsContact O-OG 3.13Å; S82-Y84 VanDerWaalsContact C-N 3.3Å; S82-Y84 PolarHBondContact O-N 2.89Å; S82-E85 PolarHBondContact O-N 2.83Å; S82-E86 PolarHBondContact O-N 2.92Å; S82-E86 VanDerWaalsContact O-N 3.07Å
83E93.2Very high88.6Confident137 Ų13753.2 Ų53.264%0.6431%0.305SS*.Hα-helixtrans-66-33.7176.8-66.5179.1-17100112.1F81 N87F81-E83 VanDerWaalsContact C-N 3.33Å; F81-E83 PolarHBondContact O-N 3.19Å; E83-N87 VanDerWaalsContact O-CB 3.3Å; E83-N87 WeakPolarHBondContact O-CB 3.39Å; E83-N87 VanDerWaalsContact O-CG 3.22Å; E83-N87 PolarHBondContact O-N 3.45Å; E83-N87 PolarHBondContact O-ND2 3.36Å
84Y95.5Very high88.7Confident42 Ų4257.9 Ų57.917%0.16532%0.323CS..Hα-helixtrans-73.8-38.5178.3-53.5-41.2000111.9F81 S82 L88 W114 N115F81-Y84 HydrophobicContact CB-CD2 4.25Å; F81-Y84 AromaticContact CD1-CD2 3.77Å; F81-Y84 HydrophobicContact CD1-CD2 3.77Å; F81-Y84 HydrophobicContact CD1-CE2 4.35Å; F81-Y84 HydrophobicContact CG-CD2 4.42Å; F81-Y84 CarbonylContact O-C 3.48Å; F81-Y84 WeakPolarHBondContact O-CA 3.5Å; F81-Y84 WeakPolarHBondContact O-CB 3.48Å; F81-Y84 PolarHBondContact O-N 3.11Å; S82-Y84 VanDerWaalsContact C-N 3.3Å; S82-Y84 PolarHBondContact O-N 2.89Å; Y84-L88 WeakPolarHBondContact O-CB 3.48Å; Y84-L88 PolarHBondContact O-N 2.98Å; Y84-W114 AromaticContact CD1-CD1 3.32Å; Y84-W114 HydrophobicContact CD1-CG 4.15Å; Y84-W114 AromaticContact CD1-NE1 3.43Å; Y84-W114 HydrophobicContact CD2-CB 4.1Å; Y84-W114 AromaticContact CD2-CD1 3.59Å; Y84-W114 AromaticContact CD2-CD2 3.87Å; Y84-W114 HydrophobicContact CD2-CD2 3.87Å; Y84-W114 AromaticContact CD2-CG 3.57Å; Y84-W114 HydrophobicContact CD2-CG 3.57Å; Y84-W114 AromaticContact CD2-NE1 3.88Å; Y84-W114 AromaticContact CE1-CD1 3.44Å; Y84-W114 VanDerWaalsContact CE1-CD1 3.44Å; Y84-W114 HydrophobicContact CE1-CG 4.18Å; Y84-W114 HydrophobicContact CE2-CB 3.64Å; Y84-W114 AromaticContact CE2-CD1 3.69Å; Y84-W114 HydrophobicContact CE2-CD2 4.34Å; Y84-W114 AromaticContact CE2-CG 3.59Å; Y84-W114 HydrophobicContact CE2-CG 3.59Å; Y84-W114 AromaticContact CG-CD1 3.4Å; Y84-W114 HydrophobicContact CG-CD2 4.07Å; Y84-W114 AromaticContact CG-CE2 3.77Å; Y84-W114 AromaticContact CG-CG 3.85Å; Y84-W114 HydrophobicContact CG-CG 3.85Å; Y84-W114 AromaticContact CG-NE1 3.33Å; Y84-W114 VanDerWaalsContact CG-NE1 3.33Å; Y84-W114 AromaticContact CZ-CD1 3.61Å; Y84-W114 AromaticContact CZ-CG 3.89Å; Y84-N115 VanDerWaalsContact CE1-ND2 3.28Å; Y84-N115 WeakPolarHBondContact CE1-ND2 3.44Å; Y84-N115 PolarHBondContact OH-ND2 3.27Å; Y84-N115 VanDerWaalsContact OH-ND2 3.14Å
85E96.9Very high89.3Confident0 Ų059.4 Ų59.40%031%0.314CS..Hα-helixtrans-59.7-48.3173.4-68.8169.6167.400110.4L52 S53 N79 F81 S82 L88 S89 V102 I104L52-E85 PolarHBondContact N-OE2 2.77Å; S53-E85 WeakPolarHBondContact OG-CB 3.33Å; N79-E85 VanDerWaalsContact ND2-CD 3.32Å; N79-E85 PolarHBondContact ND2-OE1 2.84Å; N79-E85 VanDerWaalsContact ND2-OE1 3.11Å; N79-E85 PolarHBondContact ND2-OE2 3.06Å; N79-E85 VanDerWaalsContact ND2-OE2 3.11Å; F81-E85 HydrophobicContact CB-CG 4.4Å; F81-E85 WeakPolarHBondContact O-CG 3.15Å; F81-E85 PolarHBondContact O-N 2.84Å; S82-E85 PolarHBondContact O-N 2.83Å; E85-L88 PolarHBondContact O-N 3.01Å; E85-S89 WeakPolarHBondContact O-CB 3.48Å; E85-S89 PolarHBondContact O-N 2.85Å; E85-S89 PolarHBondContact O-OG 3.25Å; E85-V102 HydrophobicContact CB-CG1 4.28Å; E85-V102 HydrophobicContact CG-CG1 4.43Å; E85-I104 HydrophobicContact CG-CB 3.84Å; E85-I104 HydrophobicContact CG-CD1 3.81Å; E85-I104 HydrophobicContact CG-CG1 3.74Å; E85-I104 PolarHBondContact OE1-N 3.21Å
86E95.9Very high90.1Very high58 Ų5858.9 Ų58.927%0.27130%0.296SS..Hα-helixtrans-63-50.5179.5-164.9178.9177.200111.2S67 S82 L88 S89 C90S67-E86 VanDerWaalsContact CB-OE1 3.24Å; S67-E86 WeakPolarHBondContact CB-OE1 3.37Å; S67-E86 PolarHBondContact OG-OE1 3.04Å; S82-E86 PolarHBondContact O-N 2.92Å; S82-E86 VanDerWaalsContact O-N 3.07Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.01Å; E86-S89 PolarHBondContact O-N 2.83Å; E86-S89 PolarHBondContact O-OG 3.14Å; E86-C90 PolarHBondContact O-N 3.17Å; E86-C90 PolarHBondContact O-SG 3.14Å; E86-C90 VanDerWaalsContact O-SG 3.41Å
87N95.5Very high91.5Very high93 Ų9360 Ų6050%0.49728%0.28SS..Hα-helixtrans-57.6-43.3177.1-79.5-45.3000112.7E83 C90 K91E83-N87 VanDerWaalsContact O-CB 3.3Å; E83-N87 WeakPolarHBondContact O-CB 3.39Å; E83-N87 VanDerWaalsContact O-CG 3.22Å; E83-N87 PolarHBondContact O-N 3.45Å; E83-N87 PolarHBondContact O-ND2 3.36Å; N87-C90 PolarHBondContact O-N 3.4Å; N87-K91 WeakPolarHBondContact O-CG 3.15Å; N87-K91 PolarHBondContact O-N 3.45Å
88L96.5Very high92.6Very high1 Ų157 Ų571%0.00526%0.258CS..Hα-helixtrans-66.8-42.3179.2-175.455.4000111.3Y84 E85 E86 C90 K91 I92 V102 E130 I133Y84-L88 WeakPolarHBondContact O-CB 3.48Å; Y84-L88 PolarHBondContact O-N 2.98Å; E85-L88 PolarHBondContact O-N 3.01Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.01Å; L88-C90 VanDerWaalsContact C-N 3.29Å; L88-C90 PolarHBondContact O-N 3.42Å; L88-K91 PolarHBondContact O-N 2.87Å; L88-I92 HydrophobicContact CD1-CD1 3.7Å; L88-I92 HydrophobicContact CD1-CG1 4.07Å; L88-I92 HydrophobicContact CG-CD1 3.77Å; L88-I92 HydrophobicContact CG-CG1 4.5Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.31Å; L88-V102 HydrophobicContact CB-CG1 4.29Å; L88-V102 HydrophobicContact CD2-CG1 3.89Å; L88-V102 HydrophobicContact CG-CG1 4.23Å; L88-V102 HydrophobicContact CG-CG2 4.37Å; L88-E130 HydrophobicContact CD1-CG 3.75Å; L88-I133 HydrophobicContact CD2-CD1 3.71Å
89S96.9Very high93.3Very high0 Ų050.2 Ų50.20%024%0.238CC..Hα-helixtrans-58.9-41.4175.576.40000111.6C55 E85 E86 S93C55-S89 VanDerWaalsContact CB-C 3.43Å; C55-S89 VanDerWaalsContact CB-OG 3.25Å; C55-S89 WeakPolarHBondContact CB-OG 3.25Å; C55-S89 PolarHBondContact N-OG 3.03Å; E85-S89 WeakPolarHBondContact O-CB 3.48Å; E85-S89 PolarHBondContact O-N 2.85Å; E85-S89 PolarHBondContact O-OG 3.25Å; E86-S89 PolarHBondContact O-N 2.83Å; E86-S89 PolarHBondContact O-OG 3.14Å; S89-S93 WeakPolarHBondContact O-CB 3.2Å; S89-S93 PolarHBondContact O-N 3.27Å
90C95.2Very high93.9Very high22 Ų2250.1 Ų50.115%0.14924%0.237CC..Hα-helixtrans-63-51.1175.5-69.90000112.5C55 Q65 S67 E86 N87 L88 I92 S93 K94C55-C90 HydrophobicContact CB-CB 4.46Å; C55-C90 VanDerWaalsContact SG-CA 3.6Å; C55-C90 VanDerWaalsContact SG-SG 3.63Å; Q65-C90 PolarHBondContact NE2-O 3.43Å; Q65-C90 PolarHBondContact OE1-O 3.38Å; S67-C90 WeakPolarHBondContact CB-SG 3.47Å; E86-C90 PolarHBondContact O-N 3.17Å; E86-C90 PolarHBondContact O-SG 3.14Å; E86-C90 VanDerWaalsContact O-SG 3.41Å; N87-C90 PolarHBondContact O-N 3.4Å; L88-C90 VanDerWaalsContact C-N 3.29Å; L88-C90 PolarHBondContact O-N 3.42Å; C90-I92 VanDerWaalsContact C-N 3.31Å; C90-I92 PolarHBondContact O-N 2.95Å; C90-S93 PolarHBondContact O-N 3.35Å; C90-K94 WeakPolarHBondContact O-CB 3.31Å; C90-K94 PolarHBondContact O-N 3.16Å
91K94.4Very high94.2Very high96 Ų9651 Ų5142%0.41724%0.237SC..Hα-helixtrans-55.6-46.4179.2-74.2175.9179.1-179.40111.8N87 L88 R95 E130 F134N87-K91 WeakPolarHBondContact O-CG 3.15Å; N87-K91 PolarHBondContact O-N 3.45Å; L88-K91 PolarHBondContact O-N 2.87Å; K91-R95 PolarHBondContact O-N 2.95Å; K91-E130 IonicContact NZ-OE1 2.66Å; K91-E130 PolarHBondContact NZ-OE1 3.22Å; K91-E130 IonicContact NZ-OE2 2.76Å; K91-E130 PolarHBondContact NZ-OE2 2.88Å; K91-F134 HydrophobicContact CB-CZ 4.31Å
92I94.5Very high94.3Very high0 Ų051 Ų510%024%0.237CC..Hα-helixtrans-71.6-42.2-178.4-61172000110.3I40 L88 C90 K94 R95 F96 I100 I133 F134 L137I40-I92 HydrophobicContact CD1-CD1 3.42Å; I40-I92 VanDerWaalsContact CD1-CD1 3.42Å; I40-I92 HydrophobicContact CD1-CG2 4.15Å; L88-I92 HydrophobicContact CD1-CD1 3.7Å; L88-I92 HydrophobicContact CD1-CG1 4.07Å; L88-I92 HydrophobicContact CG-CD1 3.77Å; L88-I92 HydrophobicContact CG-CG1 4.5Å; L88-I92 VanDerWaalsContact O-CG1 3.26Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.31Å; C90-I92 VanDerWaalsContact C-N 3.31Å; C90-I92 PolarHBondContact O-N 2.95Å; I92-K94 VanDerWaalsContact C-N 3.25Å; I92-K94 PolarHBondContact O-N 2.71Å; I92-R95 WeakPolarHBondContact O-CB 3.35Å; I92-R95 PolarHBondContact O-N 2.86Å; I92-F96 HydrophobicContact CG2-CD2 3.66Å; I92-F96 HydrophobicContact CG2-CE2 4.05Å; I92-F96 WeakPolarHBondContact O-CD2 3.4Å; I92-F96 PolarHBondContact O-N 3.4Å; I92-I100 HydrophobicContact CB-CD1 4.49Å; I92-I100 HydrophobicContact CB-CG1 4.08Å; I92-I100 HydrophobicContact CB-CG2 4.1Å; I92-I100 HydrophobicContact CG2-CD1 3.63Å; I92-I100 HydrophobicContact CG2-CG1 3.75Å; I92-I100 HydrophobicContact CG2-CG2 3.97Å; I92-I133 HydrophobicContact CD1-CG2 3.77Å; I92-F134 HydrophobicContact CG1-CE1 4.03Å; I92-F134 HydrophobicContact CG1-CE2 4.4Å; I92-F134 HydrophobicContact CG1-CZ 3.7Å; I92-L137 HydrophobicContact CD1-CD1 4.17Å; I92-L137 HydrophobicContact CG1-CD1 4.36Å; I92-L137 HydrophobicContact CG2-CD1 3.73Å
93S93.9Very high94.5Very high0 Ų050.1 Ų50.10%023%0.231CC..Hα-helixtrans-62-37.5179.11800000111.2C55 S89 C90 R95 H97 C98 I100C55-S93 VanDerWaalsContact SG-CB 3.54Å; S89-S93 WeakPolarHBondContact O-CB 3.2Å; S89-S93 PolarHBondContact O-N 3.27Å; C90-S93 PolarHBondContact O-N 3.35Å; S93-R95 VanDerWaalsContact C-N 3.32Å; S93-R95 PolarHBondContact O-N 2.68Å; S93-H97 VanDerWaalsContact O-CA 3.28Å; S93-H97 WeakPolarHBondContact O-CA 3.38Å; S93-H97 PolarHBondContact O-N 3.29Å; S93-C98 WeakPolarHBondContact CB-O 3.28Å; S93-C98 PolarHBondContact OG-O 3.44Å; S93-I100 VanDerWaalsContact N-CG1 3.34Å
94K91.2Very high94.7Very high133 Ų13343.6 Ų43.658%0.57820%0.201SC*.Hα-helixtrans-65.6-36.3175.5-172.2172.9-179.71750111.9C90 I92 H97C90-K94 WeakPolarHBondContact O-CB 3.31Å; C90-K94 PolarHBondContact O-N 3.16Å; I92-K94 VanDerWaalsContact C-N 3.25Å; I92-K94 PolarHBondContact O-N 2.71Å; K94-H97 PolarHBondContact O-CE1 3.3Å
95R90.2Very high94.7Very high163 Ų16341.7 Ų41.762%0.61519%0.193SC*.Hα-helixtrans-74.5-39-178.5-177.762.5175122.5-2.6112.9K91 I92 S93 F134K91-R95 PolarHBondContact O-N 2.95Å; I92-R95 WeakPolarHBondContact O-CB 3.35Å; I92-R95 PolarHBondContact O-N 2.86Å; S93-R95 VanDerWaalsContact C-N 3.32Å; S93-R95 PolarHBondContact O-N 2.68Å; R95-F134 HydrophobicContact CB-CE1 4.13Å; R95-F134 HydrophobicContact CG-CE1 4.11Å
96F89.2Confident94.5Very high45 Ų4542.2 Ų42.220%0.19720%0.196CC..Hα-helixtrans-110-1-172.1-63.4-69.9000114.4I92 C98 F134 L137 I141I92-F96 HydrophobicContact CG2-CD2 3.66Å; I92-F96 HydrophobicContact CG2-CE2 4.05Å; I92-F96 WeakPolarHBondContact O-CD2 3.4Å; I92-F96 PolarHBondContact O-N 3.4Å; F96-C98 PolarHBondContact O-N 3.19Å; F96-F134 HydrophobicContact CE2-CD1 4.34Å; F96-F134 HydrophobicContact CE2-CE1 4.26Å; F96-L137 HydrophobicContact CD2-CD1 4.45Å; F96-L137 HydrophobicContact CE2-CB 3.98Å; F96-L137 HydrophobicContact CE2-CD1 3.7Å; F96-L137 HydrophobicContact CE2-CG 4.42Å; F96-L137 HydrophobicContact CZ-CB 3.83Å; F96-L137 HydrophobicContact CZ-CD1 4.41Å; F96-I141 HydrophobicContact CB-CD1 4.35Å; F96-I141 HydrophobicContact CD1-CD1 3.21Å; F96-I141 HydrophobicContact CD1-CG1 4.47Å; F96-I141 HydrophobicContact CD1-CG2 4.36Å; F96-I141 HydrophobicContact CD2-CD1 3.92Å; F96-I141 HydrophobicContact CE1-CD1 3.25Å; F96-I141 HydrophobicContact CE1-CG1 4.47Å; F96-I141 HydrophobicContact CE2-CD1 3.96Å; F96-I141 HydrophobicContact CG-CD1 3.55Å; F96-I141 HydrophobicContact CZ-CD1 3.63Å
97H89.7Confident94.2Very high145 Ų14541.2 Ų41.267%0.67119%0.194SC*.THydrogen-bonded Turntrans54.137.7176.6-58.8-68.5000114S93 K94S93-H97 VanDerWaalsContact O-CA 3.28Å; S93-H97 WeakPolarHBondContact O-CA 3.38Å; S93-H97 PolarHBondContact O-N 3.29Å; K94-H97 PolarHBondContact O-CE1 3.3Å
98C91.8Very high93.9Very high21 Ų2144.7 Ų44.714%0.14220%0.202CC..SBendtrans-138.5161.2177.265.70000111.6S93 F96 I100S93-C98 WeakPolarHBondContact CB-O 3.28Å; S93-C98 PolarHBondContact OG-O 3.44Å; F96-C98 PolarHBondContact O-N 3.19Å; C98-I100 PolarHBondContact O-N 3.08Å; C98-I100 WeakPolarHBondContact SG-CD1 3.21Å
99P95.1Very high93.6Very high37 Ų3751.1 Ų51.124%0.2423%0.232CC..  trans-52.2127.5164.5-30.335.6000112.6S36 C37 L38 C55 L56 F101S36-P99 WeakPolarHBondContact O-CD 3.39Å; C37-P99 VanDerWaalsContact CA-O 3.28Å; C37-P99 WeakPolarHBondContact CA-O 3.3Å; C37-P99 HydrophobicContact CB-CB 3.71Å; C37-P99 HydrophobicContact CB-CG 4.4Å; C37-P99 VanDerWaalsContact CB-O 3.26Å; C37-P99 WeakPolarHBondContact CB-O 3.4Å; L38-P99 PolarHBondContact N-O 3.39Å; C55-P99 CarbonylContact O-C 3.59Å; C55-P99 WeakPolarHBondContact O-CA 3.25Å; L56-P99 HydrophobicContact CD2-CB 3.44Å; L56-P99 VanDerWaalsContact CD2-CB 3.44Å; L56-P99 HydrophobicContact CD2-CG 3.6Å; P99-F101 HydrophobicContact CB-CE2 4.49Å
100I96.8Very high93.4Very high0 Ų051.9 Ų51.90%024%0.235CC..EExtended strand (participates in β ladder)trans-123127.5177.3-53.3-62.3000109.7L38 I40 V54 C55 I92 S93 C98 V102L38-I100 HydrophobicContact CB-CD1 3.69Å; L38-I100 HydrophobicContact CD1-CD1 3.7Å; L38-I100 HydrophobicContact CG-CD1 4.13Å; L38-I100 WeakPolarHBondContact O-CA 3.46Å; I40-I100 HydrophobicContact CD1-CG2 4.2Å; V54-I100 CarbonylContact C-O 3.57Å; V54-I100 VanDerWaalsContact CA-O 3.26Å; V54-I100 WeakPolarHBondContact CA-O 3.37Å; V54-I100 WeakPolarHBondContact CG2-O 3.12Å; C55-I100 PolarHBondContact N-O 2.92Å; C55-I100 PolarHBondContact O-N 3.26Å; I92-I100 HydrophobicContact CB-CD1 4.49Å; I92-I100 HydrophobicContact CB-CG1 4.08Å; I92-I100 HydrophobicContact CB-CG2 4.1Å; I92-I100 HydrophobicContact CG2-CD1 3.63Å; I92-I100 HydrophobicContact CG2-CG1 3.75Å; I92-I100 HydrophobicContact CG2-CG2 3.97Å; S93-I100 VanDerWaalsContact N-CG1 3.34Å; C98-I100 PolarHBondContact O-N 3.08Å; C98-I100 WeakPolarHBondContact SG-CD1 3.21Å; I100-V102 HydrophobicContact CG2-CG2 3.76Å
101F97.6Very high93.3Very high59 Ų5951.3 Ų51.326%0.25923%0.232SC..EExtended strand (participates in β ladder)trans-103.7131.8169.8-61.6-97.7000109C37 L38 F39 I40 L52 S53 V54 I70 P99C37-F101 HydrophobicContact CB-CE2 4.31Å; L38-F101 PolarHBondContact O-N 3.11Å; F39-F101 HydrophobicContact CB-CB 4.31Å; F39-F101 HydrophobicContact CD2-CB 3.58Å; F39-F101 HydrophobicContact CD2-CG 4.41Å; F39-F101 HydrophobicContact CE2-CB 4.35Å; F39-F101 HydrophobicContact CG-CB 4.33Å; I40-F101 PolarHBondContact N-O 2.9Å; L52-F101 HydrophobicContact CD1-CB 4.23Å; S53-F101 CarbonylContact O-C 3.56Å; S53-F101 WeakPolarHBondContact O-CA 3.38Å; V54-F101 HydrophobicContact CB-CD1 3.84Å; V54-F101 HydrophobicContact CB-CE1 3.94Å; V54-F101 HydrophobicContact CB-CG 4.47Å; V54-F101 HydrophobicContact CG2-CD1 3.72Å; V54-F101 HydrophobicContact CG2-CD2 4.31Å; V54-F101 HydrophobicContact CG2-CE1 3.56Å; V54-F101 HydrophobicContact CG2-CE2 4.15Å; V54-F101 HydrophobicContact CG2-CG 4.1Å; V54-F101 HydrophobicContact CG2-CZ 3.78Å; I70-F101 HydrophobicContact CD1-CD1 3.7Å; I70-F101 HydrophobicContact CD1-CE1 3.63Å; P99-F101 HydrophobicContact CB-CE2 4.49Å
102V98Very high93.3Very high1 Ų149.9 Ų49.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-130.5133.5-179.2177.60000110.2I40 L52 S53 E85 L88 I100 I104I40-V102 CarbonylContact O-C 3.54Å; I40-V102 WeakPolarHBondContact O-CA 3.18Å; L52-V102 WeakPolarHBondContact CA-O 3.41Å; S53-V102 PolarHBondContact N-O 3.01Å; S53-V102 PolarHBondContact O-N 2.94Å; E85-V102 HydrophobicContact CB-CG1 4.28Å; E85-V102 HydrophobicContact CG-CG1 4.43Å; L88-V102 HydrophobicContact CB-CG1 4.29Å; L88-V102 HydrophobicContact CD2-CG1 3.89Å; L88-V102 HydrophobicContact CG-CG1 4.23Å; L88-V102 HydrophobicContact CG-CG2 4.37Å; I100-V102 HydrophobicContact CG2-CG2 3.76Å; V102-I104 HydrophobicContact CG1-CG1 4.29Å
103S97.3Very high93.3Very high0 Ų052.8 Ų52.80%025%0.248CC..EExtended strand (participates in β ladder)trans-127.9130.5168.81790000110.6I40 L42 L49 G51 S105I40-S103 PolarHBondContact O-N 2.87Å; L42-S103 PolarHBondContact N-O 2.84Å; L49-S103 WeakPolarHBondContact CD1-OG 3.15Å; G51-S103 WeakPolarHBondContact O-CB 3.41Å; G51-S103 PolarHBondContact O-OG 3.04Å; S103-S105 PolarHBondContact OG-OG 2.81Å
104I96.6Very high93.4Very high0 Ų053.1 Ų53.10%025%0.249CC..EExtended strand (participates in β ladder)trans-114.396.5174-60.8166.6000107.6L42 S50 F81 E85 V102 L106 W114L42-I104 HydrophobicContact CD2-CG1 4.12Å; L42-I104 HydrophobicContact CD2-CG2 3.98Å; S50-I104 PolarHBondContact OG-O 3.47Å; S50-I104 VanDerWaalsContact OG-O 3.08Å; F81-I104 HydrophobicContact CB-CB 3.7Å; F81-I104 HydrophobicContact CB-CD1 4.25Å; F81-I104 HydrophobicContact CB-CG2 3.74Å; F81-I104 HydrophobicContact CD1-CB 4.37Å; F81-I104 HydrophobicContact CD1-CG2 3.47Å; F81-I104 VanDerWaalsContact CD1-CG2 3.47Å; F81-I104 HydrophobicContact CD2-CG2 3.93Å; F81-I104 HydrophobicContact CE1-CG2 4.08Å; F81-I104 HydrophobicContact CE2-CG2 4.47Å; F81-I104 HydrophobicContact CG-CB 4Å; F81-I104 HydrophobicContact CG-CG2 3.44Å; F81-I104 VanDerWaalsContact CG-CG2 3.44Å; E85-I104 HydrophobicContact CG-CB 3.84Å; E85-I104 HydrophobicContact CG-CD1 3.81Å; E85-I104 HydrophobicContact CG-CG1 3.74Å; E85-I104 PolarHBondContact OE1-N 3.21Å; V102-I104 HydrophobicContact CG1-CG1 4.29Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 HydrophobicContact CG2-CB 4.3Å; I104-L106 HydrophobicContact CG2-CD1 4.03Å; I104-L106 HydrophobicContact CG2-CG 3.98Å; I104-L106 PolarHBondContact O-N 2.64Å; I104-W114 HydrophobicContact CD1-CH2 3.43Å; I104-W114 VanDerWaalsContact CD1-CH2 3.43Å; I104-W114 HydrophobicContact CD1-CZ2 3.73Å; I104-W114 HydrophobicContact CD1-CZ3 4.11Å; I104-W114 HydrophobicContact CG1-CH2 4.21Å; I104-W114 HydrophobicContact CG2-CH2 4.44Å; I104-W114 HydrophobicContact CG2-CZ3 4.12Å
105S94.6Very high93.5Very high2 Ų251.4 Ų51.41%0.01425%0.246CC..  trans-9637.8-175.4-61.70000112.5W41 L42 S47 K48 L49 S103W41-S105 PolarHBondContact NE1-OG 3.22Å; L42-S105 PolarHBondContact O-N 2.85Å; S47-S105 WeakPolarHBondContact CB-O 3.48Å; S47-S105 PolarHBondContact OG-O 3.01Å; K48-S105 WeakPolarHBondContact O-CB 3.11Å; L49-S105 WeakPolarHBondContact CA-OG 3.37Å; S103-S105 PolarHBondContact OG-OG 2.81Å
106L93.1Very high93.7Very high10 Ų1048.3 Ų48.35%0.05224%0.242CC..  trans-83.6154.9-177.9-64.9177.4000112.3I25 L27 L42 F81 I104 F110 W114I25-L106 HydrophobicContact CD1-CD2 3.84Å; L27-L106 HydrophobicContact CD2-CD1 4.22Å; L27-L106 HydrophobicContact CD2-CD2 3.66Å; L42-L106 HydrophobicContact CD2-CD1 4Å; L42-L106 HydrophobicContact CD2-CG 4.46Å; L42-L106 HydrophobicContact CG-CD1 4.32Å; L42-L106 HydrophobicContact CG-CD2 4.48Å; L42-L106 HydrophobicContact CG-CG 4.34Å; F81-L106 HydrophobicContact CE1-CB 4.38Å; F81-L106 HydrophobicContact CE2-CB 3.88Å; F81-L106 VanDerWaalsContact CE2-O 3.25Å; F81-L106 WeakPolarHBondContact CE2-O 3.48Å; F81-L106 HydrophobicContact CZ-CB 3.73Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 HydrophobicContact CG2-CB 4.3Å; I104-L106 HydrophobicContact CG2-CD1 4.03Å; I104-L106 HydrophobicContact CG2-CG 3.98Å; I104-L106 PolarHBondContact O-N 2.64Å; L106-F110 HydrophobicContact CB-CB 4.38Å; L106-F110 HydrophobicContact CB-CD2 4.48Å; L106-F110 HydrophobicContact CD1-CB 4.48Å; L106-W114 HydrophobicContact CD1-CZ3 4.31Å
107P89.8Confident93.9Very high37 Ų3751.4 Ų51.424%0.2426%0.26CS..  trans-56.9149168.9-2634.9000112.6E109 F110P107-E109 HydrophobicContact CB-CG 4.06Å; P107-E109 PolarHBondContact O-N 3.17Å; P107-E109 VanDerWaalsContact O-N 3.14Å; P107-F110 HydrophobicContact CB-CD2 3.93Å; P107-F110 HydrophobicContact CB-CE2 4.07Å; P107-F110 HydrophobicContact CG-CD2 4.11Å; P107-F110 HydrophobicContact CG-CE2 3.99Å; P107-F110 PolarHBondContact O-N 3.19Å; P107-F110 VanDerWaalsContact O-N 3.08Å
108Y89.6Confident94Very high166 Ų16646.2 Ų46.265%0.65124%0.237SC*.G310 helixtrans-57.9-31.3-175.1-177-86.1000113.4P80 F110 A111P80-Y108 HydrophobicContact CB-CD2 3.79Å; P80-Y108 HydrophobicContact CB-CE2 3.74Å; P80-Y108 HydrophobicContact CG-CD2 3.61Å; P80-Y108 HydrophobicContact CG-CE2 4.12Å; P80-Y108 HydrophobicContact CG-CG 4.4Å; Y108-F110 PolarHBondContact O-N 3.42Å; Y108-F110 VanDerWaalsContact O-N 3.12Å; Y108-A111 VanDerWaalsContact O-CB 3.31Å; Y108-A111 WeakPolarHBondContact O-CB 3.42Å; Y108-A111 PolarHBondContact O-N 3.47Å
109E90.7Very high93.9Very high137 Ų13750.9 Ų50.964%0.6426%0.264SS*.G310 helixtrans-58.6-21.8177.965.4-166.1-140.400114.2P107 P112P107-E109 HydrophobicContact CB-CG 4.06Å; P107-E109 PolarHBondContact O-N 3.17Å; P107-E109 VanDerWaalsContact O-N 3.14Å; E109-P112 WeakPolarHBondContact O-CD 3.46Å
110F92.7Very high93.6Very high15 Ų1556.5 Ų56.57%0.06629%0.291CS..G310 helixtrans-84.2-14.9176.2-65.5-75.7000113.4I25 F81 L106 P107 Y108 L113 W114 L125I25-F110 HydrophobicContact CB-CE1 3.82Å; I25-F110 HydrophobicContact CB-CZ 4.01Å; I25-F110 HydrophobicContact CD1-CD1 3.96Å; I25-F110 HydrophobicContact CD1-CD2 4.04Å; I25-F110 HydrophobicContact CD1-CE1 3.67Å; I25-F110 HydrophobicContact CD1-CE2 3.75Å; I25-F110 HydrophobicContact CD1-CG 4.16Å; I25-F110 HydrophobicContact CD1-CZ 3.58Å; I25-F110 HydrophobicContact CG1-CE1 4.2Å; I25-F110 HydrophobicContact CG1-CZ 4.05Å; I25-F110 HydrophobicContact CG2-CE1 4.24Å; F81-F110 HydrophobicContact CZ-CB 4.2Å; L106-F110 HydrophobicContact CB-CB 4.38Å; L106-F110 HydrophobicContact CB-CD2 4.48Å; L106-F110 HydrophobicContact CD1-CB 4.48Å; P107-F110 HydrophobicContact CB-CD2 3.93Å; P107-F110 HydrophobicContact CB-CE2 4.07Å; P107-F110 HydrophobicContact CG-CD2 4.11Å; P107-F110 HydrophobicContact CG-CE2 3.99Å; P107-F110 PolarHBondContact O-N 3.19Å; P107-F110 VanDerWaalsContact O-N 3.08Å; Y108-F110 PolarHBondContact O-N 3.42Å; Y108-F110 VanDerWaalsContact O-N 3.12Å; F110-L113 HydrophobicContact CD1-CD1 3.96Å; F110-L113 HydrophobicContact CE1-CD1 4.47Å; F110-L113 WeakPolarHBondContact O-CB 3.34Å; F110-L113 PolarHBondContact O-N 2.8Å; F110-L113 VanDerWaalsContact O-N 3.13Å; F110-W114 PolarHBondContact O-N 3.12Å; F110-L125 HydrophobicContact CB-CD2 3.8Å; F110-L125 HydrophobicContact CD1-CD2 3.93Å; F110-L125 HydrophobicContact CG-CD2 4.28Å
111A92.8Very high93.4Very high10 Ų1058.1 Ų58.18%0.08330%0.301CS..THydrogen-bonded Turntrans-63-42.7-177.200000113.5P80 F81 Y108 L113 W114P80-A111 HydrophobicContact CB-CB 3.62Å; P80-A111 HydrophobicContact CG-CB 3.7Å; F81-A111 HydrophobicContact CE1-CB 4Å; F81-A111 HydrophobicContact CE2-CB 4.43Å; F81-A111 HydrophobicContact CZ-CB 3.84Å; Y108-A111 VanDerWaalsContact O-CB 3.31Å; Y108-A111 WeakPolarHBondContact O-CB 3.42Å; Y108-A111 PolarHBondContact O-N 3.47Å; A111-L113 VanDerWaalsContact C-N 3.26Å; A111-L113 PolarHBondContact O-N 3.43Å; A111-W114 VanDerWaalsContact O-CB 3.29Å; A111-W114 WeakPolarHBondContact O-CB 3.29Å; A111-W114 PolarHBondContact O-N 3.16Å
112P93.6Very high93.2Very high66 Ų6662 Ų6243%0.42932%0.319SS..G310 helixtrans-61.8-34.1173-23.234.8000112.8E109 W114 N116E109-P112 WeakPolarHBondContact O-CD 3.46Å; P112-W114 PolarHBondContact O-N 3.26Å; P112-N116 VanDerWaalsContact O-CB 3.25Å; P112-N116 WeakPolarHBondContact O-CB 3.42Å; P112-N116 PolarHBondContact O-N 3.39Å; P112-N116 PolarHBondContact O-ND2 3.47Å
113L94.5Very high93Very high61 Ų6162.5 Ų62.532%0.31932%0.323SS..G310 helixtrans-71.2-18-178.3-54.7177.1000112.5Y23 F110 A111 N115 L125Y23-L113 HydrophobicContact CD1-CB 4.33Å; Y23-L113 HydrophobicContact CD1-CD1 4.19Å; Y23-L113 HydrophobicContact CE1-CB 4.41Å; F110-L113 HydrophobicContact CD1-CD1 3.96Å; F110-L113 HydrophobicContact CE1-CD1 4.47Å; F110-L113 WeakPolarHBondContact O-CB 3.34Å; F110-L113 PolarHBondContact O-N 2.8Å; F110-L113 VanDerWaalsContact O-N 3.13Å; A111-L113 VanDerWaalsContact C-N 3.26Å; A111-L113 PolarHBondContact O-N 3.43Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.5Å; L113-L125 HydrophobicContact CB-CB 4.05Å; L113-L125 HydrophobicContact CB-CD2 4.1Å; L113-L125 VanDerWaalsContact O-CB 3.26Å; L113-L125 WeakPolarHBondContact O-CB 3.29Å; L113-L125 PolarHBondContact O-N 2.84Å
114W95.3Very high93Very high7 Ų763.1 Ų63.13%0.02733%0.327CS..G310 helixtrans-58.7-40.7-177.4-163.8-88.1000113L42 F81 Y84 I104 L106 F110 A111 P112 T124 L125 G126 V129L42-W114 HydrophobicContact CD2-CH2 4.1Å; L42-W114 HydrophobicContact CD2-CZ3 4.12Å; F81-W114 HydrophobicContact CD1-CE3 4.05Å; F81-W114 HydrophobicContact CD1-CZ3 4.39Å; F81-W114 AromaticContact CE1-CE3 4Å; F81-W114 HydrophobicContact CE1-CE3 4Å; Y84-W114 AromaticContact CD1-CD1 3.32Å; Y84-W114 HydrophobicContact CD1-CG 4.15Å; Y84-W114 AromaticContact CD1-NE1 3.43Å; Y84-W114 HydrophobicContact CD2-CB 4.1Å; Y84-W114 AromaticContact CD2-CD1 3.59Å; Y84-W114 AromaticContact CD2-CD2 3.87Å; Y84-W114 HydrophobicContact CD2-CD2 3.87Å; Y84-W114 AromaticContact CD2-CG 3.57Å; Y84-W114 HydrophobicContact CD2-CG 3.57Å; Y84-W114 AromaticContact CD2-NE1 3.88Å; Y84-W114 AromaticContact CE1-CD1 3.44Å; Y84-W114 VanDerWaalsContact CE1-CD1 3.44Å; Y84-W114 HydrophobicContact CE1-CG 4.18Å; Y84-W114 HydrophobicContact CE2-CB 3.64Å; Y84-W114 AromaticContact CE2-CD1 3.69Å; Y84-W114 HydrophobicContact CE2-CD2 4.34Å; Y84-W114 AromaticContact CE2-CG 3.59Å; Y84-W114 HydrophobicContact CE2-CG 3.59Å; Y84-W114 AromaticContact CG-CD1 3.4Å; Y84-W114 HydrophobicContact CG-CD2 4.07Å; Y84-W114 AromaticContact CG-CE2 3.77Å; Y84-W114 AromaticContact CG-CG 3.85Å; Y84-W114 HydrophobicContact CG-CG 3.85Å; Y84-W114 AromaticContact CG-NE1 3.33Å; Y84-W114 VanDerWaalsContact CG-NE1 3.33Å; Y84-W114 AromaticContact CZ-CD1 3.61Å; Y84-W114 AromaticContact CZ-CG 3.89Å; I104-W114 HydrophobicContact CD1-CH2 3.43Å; I104-W114 VanDerWaalsContact CD1-CH2 3.43Å; I104-W114 HydrophobicContact CD1-CZ2 3.73Å; I104-W114 HydrophobicContact CD1-CZ3 4.11Å; I104-W114 HydrophobicContact CG1-CH2 4.21Å; I104-W114 HydrophobicContact CG2-CH2 4.44Å; I104-W114 HydrophobicContact CG2-CZ3 4.12Å; L106-W114 HydrophobicContact CD1-CZ3 4.31Å; F110-W114 PolarHBondContact O-N 3.12Å; A111-W114 VanDerWaalsContact O-CB 3.29Å; A111-W114 WeakPolarHBondContact O-CB 3.29Å; A111-W114 PolarHBondContact O-N 3.16Å; P112-W114 PolarHBondContact O-N 3.26Å; W114-T124 WeakPolarHBondContact O-CB 3.29Å; W114-T124 PolarHBondContact O-OG1 3.36Å; W114-L125 HydrophobicContact CE3-CD2 4.46Å; W114-G126 PolarHBondContact O-N 3.18Å; W114-G126 VanDerWaalsContact O-N 3.12Å; W114-V129 HydrophobicContact CH2-CB 4.12Å; W114-V129 HydrophobicContact CH2-CG1 3.76Å; W114-V129 HydrophobicContact CH2-CG2 4.32Å; W114-V129 HydrophobicContact CZ3-CB 4.4Å; W114-V129 HydrophobicContact CZ3-CG1 4.32Å; W114-V129 HydrophobicContact CZ3-CG2 4.11Å
115N94Very high92.9Very high97 Ų9763.1 Ų63.152%0.51933%0.327SS..THydrogen-bonded Turntrans-115.8-10.9-178.8-74.8-21.4000114.1Y84 L113 I117 T124Y84-N115 VanDerWaalsContact CE1-ND2 3.28Å; Y84-N115 WeakPolarHBondContact CE1-ND2 3.44Å; Y84-N115 PolarHBondContact OH-ND2 3.27Å; Y84-N115 VanDerWaalsContact OH-ND2 3.14Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.5Å; N115-I117 PolarHBondContact O-N 3.23Å; N115-T124 WeakPolarHBondContact O-CG2 3.09Å
116N93.9Very high93Very high98 Ų9863.1 Ų63.152%0.52433%0.327SS..SBendtrans-79.1122.7177.4-72.6-16.6000110.6P112 N118P112-N116 VanDerWaalsContact O-CB 3.25Å; P112-N116 WeakPolarHBondContact O-CB 3.42Å; P112-N116 PolarHBondContact O-N 3.39Å; P112-N116 PolarHBondContact O-ND2 3.47Å; N116-N118 PolarHBondContact O-N 3.4Å
117I94.2Very high93.2Very high111 Ų11167.5 Ų67.557%0.56935%0.348SS*.PPolyproline II helixtrans-67.2120.3178.3-61.6172.6000108.7N115 V119 T124N115-I117 PolarHBondContact O-N 3.23Å; I117-V119 PolarHBondContact O-N 3.27Å; I117-T124 HydrophobicContact CG1-CG2 4Å
118N91.4Very high93.4Very high35 Ų3568.8 Ų68.819%0.18735%0.349CS..BIsolated β-bridgetrans-71122.4168.9177.9-56.8000108.9Y23 N116 I120 T121 Q122 S123Y23-N118 HydrophobicContact CE1-CB 4.25Å; Y23-N118 WeakPolarHBondContact OH-CB 3.34Å; N116-N118 PolarHBondContact O-N 3.4Å; N118-I120 PolarHBondContact O-N 2.97Å; N118-I120 WeakPolarHBondContact OD1-CA 3.49Å; N118-I120 WeakPolarHBondContact OD1-CB 3.25Å; N118-I120 PolarHBondContact OD1-N 3.28Å; N118-T121 WeakPolarHBondContact CB-OG1 3.27Å; N118-T121 PolarHBondContact O-N 3.03Å; N118-T121 PolarHBondContact OD1-N 3.29Å; N118-T121 VanDerWaalsContact OD1-N 3.12Å; N118-Q122 WeakPolarHBondContact O-CA 3.47Å; N118-Q122 PolarHBondContact O-N 3.01Å; N118-S123 WeakPolarHBondContact CB-O 3.12Å; N118-S123 PolarHBondContact N-O 2.89Å
119V90.8Very high93.7Very high120 Ų12060.9 Ų60.973%0.72732%0.319SS*.THydrogen-bonded Turntrans-60.8-31.4-174.6179.70000112.6I117 Q122I117-V119 PolarHBondContact O-N 3.27Å; V119-Q122 PolarHBondContact O-NE2 3.33Å
120I89.1Confident94Very high154 Ų15456.1 Ų56.179%0.7930%0.296SS*.THydrogen-bonded Turntrans-77.5-46.6-178-58.2173.1000110.3N118N118-I120 PolarHBondContact O-N 2.97Å; N118-I120 WeakPolarHBondContact OD1-CA 3.49Å; N118-I120 WeakPolarHBondContact OD1-CB 3.25Å; N118-I120 PolarHBondContact OD1-N 3.28Å
121T90.7Very high94.1Very high35 Ų3560.6 Ų60.622%0.21532%0.317CS..THydrogen-bonded Turntrans-91-11.7-174.565.30000114.3E22 N118 S123E22-T121 HydrophobicContact CB-CG2 3.79Å; E22-T121 HydrophobicContact CG-CG2 3.48Å; E22-T121 VanDerWaalsContact CG-CG2 3.48Å; N118-T121 WeakPolarHBondContact CB-OG1 3.27Å; N118-T121 PolarHBondContact O-N 3.03Å; N118-T121 PolarHBondContact OD1-N 3.29Å; N118-T121 VanDerWaalsContact OD1-N 3.12Å; T121-S123 WeakPolarHBondContact CB-OG 3.26Å; T121-S123 PolarHBondContact O-N 3.12Å; T121-S123 PolarHBondContact OG1-N 3.26Å; T121-S123 PolarHBondContact OG1-OG 3.31Å
122Q94Very high94.1Very high139 Ų13961 Ų6165%0.6532%0.319SS*.THydrogen-bonded Turntrans53.431.5-171.8-61.4-65.5-45.800112.8N118 V119N118-Q122 WeakPolarHBondContact O-CA 3.47Å; N118-Q122 PolarHBondContact O-N 3.01Å; V119-Q122 PolarHBondContact O-NE2 3.33Å
123S94.6Very high94.2Very high13 Ų1358 Ų589%0.09130%0.299CS..BIsolated β-bridgetrans-139.7162.8-179.269.10000111Y23 N118 T121 K128Y23-S123 PolarHBondContact OH-O 3.25Å; N118-S123 WeakPolarHBondContact CB-O 3.12Å; N118-S123 PolarHBondContact N-O 2.89Å; T121-S123 WeakPolarHBondContact CB-OG 3.26Å; T121-S123 PolarHBondContact O-N 3.12Å; T121-S123 PolarHBondContact OG1-N 3.26Å; T121-S123 PolarHBondContact OG1-OG 3.31Å; S123-K128 WeakPolarHBondContact OG-CE 3.09Å
124T96.3Very high94.2Very high12 Ų1257.7 Ų57.77%0.07430%0.296CS..  trans-99.4163.1173.277.10000111.2Y23 W114 N115 I117 G126 Q127 K128Y23-T124 WeakPolarHBondContact OH-CA 3.46Å; Y23-T124 PolarHBondContact OH-O 3.32Å; W114-T124 WeakPolarHBondContact O-CB 3.29Å; W114-T124 PolarHBondContact O-OG1 3.36Å; N115-T124 WeakPolarHBondContact O-CG2 3.09Å; I117-T124 HydrophobicContact CG1-CG2 4Å; T124-G126 VanDerWaalsContact C-N 3.25Å; T124-G126 PolarHBondContact O-N 2.76Å; T124-G126 PolarHBondContact OG1-N 3.13Å; T124-Q127 PolarHBondContact O-N 3.01Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.25Å; T124-Q127 PolarHBondContact OG1-N 2.97Å; T124-Q127 VanDerWaalsContact OG1-N 3.12Å; T124-K128 PolarHBondContact O-N 2.96Å; T124-K128 VanDerWaalsContact O-N 3.16Å
125L95.8Very high94.1Very high0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-58.9-42.3173.3175.664.6000110.3L20 Y23 I25 F110 L113 W114 Q127 K128 V129L20-L125 HydrophobicContact CD1-CD1 3.55Å; Y23-L125 HydrophobicContact CD1-CB 4.11Å; Y23-L125 HydrophobicContact CD1-CD1 4.31Å; Y23-L125 HydrophobicContact CD2-CD1 4.04Å; Y23-L125 HydrophobicContact CE1-CB 3.88Å; Y23-L125 HydrophobicContact CE2-CD1 4.47Å; Y23-L125 HydrophobicContact CG-CD1 3.94Å; Y23-L125 PolarHBondContact OH-N 3.47Å; I25-L125 HydrophobicContact CG2-CD1 4.45Å; F110-L125 HydrophobicContact CB-CD2 3.8Å; F110-L125 HydrophobicContact CD1-CD2 3.93Å; F110-L125 HydrophobicContact CG-CD2 4.28Å; L113-L125 HydrophobicContact CB-CB 4.05Å; L113-L125 HydrophobicContact CB-CD2 4.1Å; L113-L125 VanDerWaalsContact O-CB 3.26Å; L113-L125 WeakPolarHBondContact O-CB 3.29Å; L113-L125 PolarHBondContact O-N 2.84Å; W114-L125 HydrophobicContact CE3-CD2 4.46Å; L125-Q127 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 2.84Å; L125-K128 PolarHBondContact O-N 2.82Å; L125-V129 HydrophobicContact CD1-CG2 4.12Å; L125-V129 HydrophobicContact CG-CG2 4.23Å; L125-V129 WeakPolarHBondContact O-CB 3.26Å; L125-V129 VanDerWaalsContact O-CG2 3.27Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.83Å
126G96.5Very high93.9Very high2 Ų260 Ų602%0.02131%0.305CS..Hα-helixtrans-59.2-41.6178.200000112.6W114 T124 V129 E130W114-G126 PolarHBondContact O-N 3.18Å; W114-G126 VanDerWaalsContact O-N 3.12Å; T124-G126 VanDerWaalsContact C-N 3.25Å; T124-G126 PolarHBondContact O-N 2.76Å; T124-G126 PolarHBondContact OG1-N 3.13Å; G126-V129 PolarHBondContact O-N 2.54Å; G126-E130 WeakPolarHBondContact O-CB 3.45Å; G126-E130 VanDerWaalsContact O-CG 3.31Å; G126-E130 WeakPolarHBondContact O-CG 3.48Å; G126-E130 PolarHBondContact O-N 2.78Å
127Q96.1Very high93.7Very high103 Ų10355.3 Ų55.348%0.48128%0.28SS..Hα-helixtrans-64-41.9175.7-75.6172-24.700112.6T124 L125 E130 H131T124-Q127 PolarHBondContact O-N 3.01Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.25Å; T124-Q127 PolarHBondContact OG1-N 2.97Å; T124-Q127 VanDerWaalsContact OG1-N 3.12Å; L125-Q127 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 2.84Å; Q127-E130 PolarHBondContact O-N 3.45Å; Q127-H131 WeakPolarHBondContact O-CB 3.31Å; Q127-H131 PolarHBondContact O-N 3.12Å
128K95.8Very high93Very high63 Ų6352.5 Ų52.527%0.27427%0.27SS..Hα-helixtrans-66.5-43.2177.3-69.5-67.8-173.1171.80111.9L20 Y23 S123 T124 L125 H131 C132L20-K128 HydrophobicContact CD1-CB 3.9Å; L20-K128 HydrophobicContact CD2-CB 4.07Å; Y23-K128 HydrophobicContact CE2-CG 4.12Å; S123-K128 WeakPolarHBondContact OG-CE 3.09Å; T124-K128 PolarHBondContact O-N 2.96Å; T124-K128 VanDerWaalsContact O-N 3.16Å; L125-K128 PolarHBondContact O-N 2.82Å; K128-H131 PolarHBondContact O-N 3.22Å; K128-C132 PolarHBondContact O-N 2.8Å; K128-C132 PolarHBondContact O-SG 2.82Å; K128-C132 VanDerWaalsContact O-SG 3.32Å
129V95.7Very high92.5Very high1 Ų154.3 Ų54.31%0.00628%0.282CS..Hα-helixtrans-59.3-49.8174168.70000111.1L20 L27 L42 W114 L125 G126 H131 C132 I133L20-V129 HydrophobicContact CD1-CG2 4.35Å; L27-V129 HydrophobicContact CD1-CG2 3.62Å; L42-V129 HydrophobicContact CD1-CG1 4.43Å; L42-V129 HydrophobicContact CD2-CB 4.49Å; L42-V129 HydrophobicContact CD2-CG1 3.46Å; L42-V129 VanDerWaalsContact CD2-CG1 3.46Å; L42-V129 HydrophobicContact CD2-CG2 4.17Å; W114-V129 HydrophobicContact CH2-CB 4.12Å; W114-V129 HydrophobicContact CH2-CG1 3.76Å; W114-V129 HydrophobicContact CH2-CG2 4.32Å; W114-V129 HydrophobicContact CZ3-CB 4.4Å; W114-V129 HydrophobicContact CZ3-CG1 4.32Å; W114-V129 HydrophobicContact CZ3-CG2 4.11Å; L125-V129 HydrophobicContact CD1-CG2 4.12Å; L125-V129 HydrophobicContact CG-CG2 4.23Å; L125-V129 WeakPolarHBondContact O-CB 3.26Å; L125-V129 VanDerWaalsContact O-CG2 3.27Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.83Å; G126-V129 PolarHBondContact O-N 2.54Å; V129-H131 VanDerWaalsContact C-N 3.31Å; V129-H131 PolarHBondContact O-N 3.42Å; V129-C132 PolarHBondContact O-N 3.17Å; V129-I133 HydrophobicContact CG1-CD1 3.77Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.08Å
130E95.6Very high91.9Very high37 Ų3748.6 Ų48.617%0.17325%0.248CC..Hα-helixtrans-56.8-46.1177.6-80.3-177.6-162.200111.1L88 K91 G126 Q127 I133 F134L88-E130 HydrophobicContact CD1-CG 3.75Å; K91-E130 IonicContact NZ-OE1 2.66Å; K91-E130 PolarHBondContact NZ-OE1 3.22Å; K91-E130 IonicContact NZ-OE2 2.76Å; K91-E130 PolarHBondContact NZ-OE2 2.88Å; G126-E130 WeakPolarHBondContact O-CB 3.45Å; G126-E130 VanDerWaalsContact O-CG 3.31Å; G126-E130 WeakPolarHBondContact O-CG 3.48Å; G126-E130 PolarHBondContact O-N 2.78Å; Q127-E130 PolarHBondContact O-N 3.45Å; E130-I133 PolarHBondContact O-N 2.85Å; E130-F134 WeakPolarHBondContact O-CD2 3.44Å; E130-F134 PolarHBondContact O-N 3.34Å
131H94.8Very high91.2Very high108 Ų10843.3 Ų43.350%0.522%0.221SC..Hα-helixtrans-58.5-50.1176.3179.362.9000111.9Q127 K128 V129 I133 F134 E135Q127-H131 WeakPolarHBondContact O-CB 3.31Å; Q127-H131 PolarHBondContact O-N 3.12Å; K128-H131 PolarHBondContact O-N 3.22Å; V129-H131 VanDerWaalsContact C-N 3.31Å; V129-H131 PolarHBondContact O-N 3.42Å; H131-I133 VanDerWaalsContact C-N 3.26Å; H131-I133 PolarHBondContact O-N 2.86Å; H131-F134 PolarHBondContact O-N 2.94Å; H131-E135 VanDerWaalsContact CE1-CG 3.46Å; H131-E135 WeakPolarHBondContact CE1-CG 3.39Å; H131-E135 IonicContact CE1-OE1 2.65Å; H131-E135 WeakPolarHBondContact O-CB 3.41Å; H131-E135 WeakPolarHBondContact O-CG 3.47Å; H131-E135 PolarHBondContact O-N 3.14Å
132C94.3Very high89.9Confident20 Ų2049 Ų4914%0.13525%0.249CC..Hα-helixtrans-57.4-38.7176.6-69.90000112.5C18 L29 K128 V129 N136C18-C132 HydrophobicContact CB-CB 4.28Å; L29-C132 HydrophobicContact CD1-CB 4Å; K128-C132 PolarHBondContact O-N 2.8Å; K128-C132 PolarHBondContact O-SG 2.82Å; K128-C132 VanDerWaalsContact O-SG 3.32Å; V129-C132 PolarHBondContact O-N 3.17Å; C132-N136 PolarHBondContact O-N 3.03Å; C132-N136 PolarHBondContact O-ND2 3.03Å
133I95.6Very high88Confident1 Ų146.5 Ų46.51%0.00525%0.247CC..Hα-helixtrans-67.4-49.7178.1-72.2170.6000111.1L29 F31 I40 L88 I92 V129 E130 H131 N136 L137L29-I133 HydrophobicContact CD1-CG1 4.07Å; L29-I133 HydrophobicContact CD2-CD1 4.13Å; L29-I133 HydrophobicContact CD2-CG1 3.72Å; F31-I133 HydrophobicContact CE1-CG2 4.24Å; I40-I133 HydrophobicContact CD1-CG2 4.24Å; I40-I133 HydrophobicContact CG2-CD1 4.35Å; L88-I133 HydrophobicContact CD2-CD1 3.71Å; I92-I133 HydrophobicContact CD1-CG2 3.77Å; V129-I133 HydrophobicContact CG1-CD1 3.77Å; V129-I133 WeakPolarHBondContact O-CG1 3.39Å; V129-I133 PolarHBondContact O-N 3.08Å; E130-I133 PolarHBondContact O-N 2.85Å; H131-I133 VanDerWaalsContact C-N 3.26Å; H131-I133 PolarHBondContact O-N 2.86Å; I133-N136 PolarHBondContact O-N 3.12Å; I133-L137 HydrophobicContact CG2-CD1 3.51Å; I133-L137 HydrophobicContact CG2-CG 4.05Å; I133-L137 WeakPolarHBondContact O-CB 3.08Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.45Å; I133-L137 PolarHBondContact O-N 2.79Å
134F94.3Very high87.7Confident55 Ų5548.2 Ų48.224%0.24126%0.255CS..Hα-helixtrans-69.1-36.8-175.9-80.5-68.6000113.9K91 I92 R95 F96 E130 H131 N136 S138K91-F134 HydrophobicContact CB-CZ 4.31Å; I92-F134 HydrophobicContact CG1-CE1 4.03Å; I92-F134 HydrophobicContact CG1-CE2 4.4Å; I92-F134 HydrophobicContact CG1-CZ 3.7Å; R95-F134 HydrophobicContact CB-CE1 4.13Å; R95-F134 HydrophobicContact CG-CE1 4.11Å; F96-F134 HydrophobicContact CE2-CD1 4.34Å; F96-F134 HydrophobicContact CE2-CE1 4.26Å; E130-F134 WeakPolarHBondContact O-CD2 3.44Å; E130-F134 PolarHBondContact O-N 3.34Å; H131-F134 PolarHBondContact O-N 2.94Å; F134-N136 VanDerWaalsContact C-N 3.27Å; F134-N136 PolarHBondContact O-N 2.84Å; F134-S138 PolarHBondContact O-OG 3.28Å; F134-S138 VanDerWaalsContact O-OG 3.09Å
135E92.6Very high87.2Confident115 Ų11550.1 Ų50.154%0.53726%0.264SS..Hα-helixtrans-57.9-43.4173.6-74.5-62.4129.500110.8H131H131-E135 VanDerWaalsContact CE1-CG 3.46Å; H131-E135 WeakPolarHBondContact CE1-CG 3.39Å; H131-E135 IonicContact CE1-OE1 2.65Å; H131-E135 WeakPolarHBondContact O-CB 3.41Å; H131-E135 WeakPolarHBondContact O-CG 3.47Å; H131-E135 PolarHBondContact O-N 3.14Å
136N90.9Very high86.8Confident38 Ų3852.8 Ų52.820%0.20328%0.279CS..Hα-helixtrans-84-34.7-175.6-73-67.2000114I16 F31 C132 I133 F134 S138 T139 I140I16-N136 HydrophobicContact CD1-CB 3.4Å; I16-N136 WeakPolarHBondContact CD1-OD1 3.49Å; F31-N136 HydrophobicContact CE2-CB 4.12Å; F31-N136 HydrophobicContact CZ-CB 4.08Å; C132-N136 PolarHBondContact O-N 3.03Å; C132-N136 PolarHBondContact O-ND2 3.03Å; I133-N136 PolarHBondContact O-N 3.12Å; F134-N136 VanDerWaalsContact C-N 3.27Å; F134-N136 PolarHBondContact O-N 2.84Å; N136-S138 PolarHBondContact O-N 2.65Å; N136-T139 PolarHBondContact O-N 2.91Å; N136-T139 PolarHBondContact O-OG1 2.76Å; N136-I140 PolarHBondContact O-N 3.47Å
137L89Confident86.2Confident0 Ų055.8 Ų55.80%029%0.294CS..Hα-helixtrans-57.9-37.2177.4-82.1175.2000112.6F31 L38 I40 I92 F96 I133 T139 I140 I141F31-L137 HydrophobicContact CD1-CD2 3.48Å; F31-L137 VanDerWaalsContact CD1-CD2 3.48Å; F31-L137 HydrophobicContact CD1-CG 4.13Å; F31-L137 HydrophobicContact CE1-CD2 3.6Å; F31-L137 HydrophobicContact CE1-CG 3.7Å; L38-L137 HydrophobicContact CD1-CD2 4.48Å; I40-L137 HydrophobicContact CD1-CD1 3.9Å; I40-L137 HydrophobicContact CD1-CD2 4.11Å; I40-L137 HydrophobicContact CD1-CG 4.48Å; I92-L137 HydrophobicContact CD1-CD1 4.17Å; I92-L137 HydrophobicContact CG1-CD1 4.36Å; I92-L137 HydrophobicContact CG2-CD1 3.73Å; F96-L137 HydrophobicContact CD2-CD1 4.45Å; F96-L137 HydrophobicContact CE2-CB 3.98Å; F96-L137 HydrophobicContact CE2-CD1 3.7Å; F96-L137 HydrophobicContact CE2-CG 4.42Å; F96-L137 HydrophobicContact CZ-CB 3.83Å; F96-L137 HydrophobicContact CZ-CD1 4.41Å; I133-L137 HydrophobicContact CG2-CD1 3.51Å; I133-L137 HydrophobicContact CG2-CG 4.05Å; I133-L137 WeakPolarHBondContact O-CB 3.08Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.45Å; I133-L137 PolarHBondContact O-N 2.79Å; L137-T139 PolarHBondContact O-N 3.18Å; L137-I140 PolarHBondContact O-N 2.96Å; L137-I141 HydrophobicContact CB-CD1 4.41Å; L137-I141 HydrophobicContact CD2-CD1 4.43Å; L137-I141 WeakPolarHBondContact O-CG1 2.92Å; L137-I141 PolarHBondContact O-N 2.62Å
138S79.1Confident85.6Confident51 Ų5152.9 Ų52.936%0.35728%0.282SS..Hα-helixtrans-58.9-34.1177.4-57.10000111.7F134 N136 L142F134-S138 PolarHBondContact O-OG 3.28Å; F134-S138 VanDerWaalsContact O-OG 3.09Å; N136-S138 PolarHBondContact O-N 2.65Å; S138-L142 WeakPolarHBondContact O-CB 3.38Å; S138-L142 WeakPolarHBondContact O-CD1 3.48Å; S138-L142 VanDerWaalsContact O-CG 3.3Å; S138-L142 WeakPolarHBondContact O-CG 3.37Å; S138-L142 PolarHBondContact O-N 3.37Å
139T80.1Confident84.9Confident73 Ų7352.2 Ų52.245%0.44828%0.283SS..Hα-helixtrans-78.6-22.117874.50000113.8R14 N136 L137 S143R14-T139 PolarHBondContact NH1-O 3.15Å; N136-T139 PolarHBondContact O-N 2.91Å; N136-T139 PolarHBondContact O-OG1 2.76Å; L137-T139 PolarHBondContact O-N 3.18Å; T139-S143 WeakPolarHBondContact O-CB 3.33Å; T139-S143 PolarHBondContact O-OG 2.92Å
140I78.4Confident84.1Confident1 Ų155.9 Ų55.91%0.00530%0.302CS..Hα-helixtrans-88.1-34.4-177.5-67.1157.7000111.4R14 F31 R33 N136 L137 S143R14-I140 HydrophobicContact CB-CD1 4.35Å; R14-I140 HydrophobicContact CB-CG1 4.44Å; R14-I140 HydrophobicContact CG-CG1 4.25Å; F31-I140 HydrophobicContact CB-CD1 3.55Å; F31-I140 HydrophobicContact CD1-CD1 3.83Å; F31-I140 HydrophobicContact CD2-CD1 3.41Å; F31-I140 VanDerWaalsContact CD2-CD1 3.41Å; F31-I140 HydrophobicContact CE1-CD1 4.38Å; F31-I140 HydrophobicContact CE2-CD1 4Å; F31-I140 HydrophobicContact CG-CD1 3.3Å; F31-I140 HydrophobicContact CZ-CD1 4.44Å; R33-I140 HydrophobicContact CB-CG2 4.43Å; R33-I140 PolarHBondContact NH1-O 3.17Å; N136-I140 PolarHBondContact O-N 3.47Å; L137-I140 PolarHBondContact O-N 2.96Å; I140-S143 PolarHBondContact O-OG 3.26Å; I140-S143 VanDerWaalsContact O-OG 3.04Å
141I74.6Confident83.3Confident42 Ų4257.3 Ų57.322%0.21531%0.312CS..Hα-helixtrans-86.7-30.2-175.3-64.8164.9000111.3R33 L38 F96 L137R33-I141 PolarHBondContact NH1-O 3.01Å; L38-I141 HydrophobicContact CD1-CD1 3.52Å; L38-I141 HydrophobicContact CD1-CG1 4.1Å; L38-I141 HydrophobicContact CD2-CG1 4.35Å; F96-I141 HydrophobicContact CB-CD1 4.35Å; F96-I141 HydrophobicContact CD1-CD1 3.21Å; F96-I141 HydrophobicContact CD1-CG1 4.47Å; F96-I141 HydrophobicContact CD1-CG2 4.36Å; F96-I141 HydrophobicContact CD2-CD1 3.92Å; F96-I141 HydrophobicContact CE1-CD1 3.25Å; F96-I141 HydrophobicContact CE1-CG1 4.47Å; F96-I141 HydrophobicContact CE2-CD1 3.96Å; F96-I141 HydrophobicContact CG-CD1 3.55Å; F96-I141 HydrophobicContact CZ-CD1 3.63Å; L137-I141 HydrophobicContact CB-CD1 4.41Å; L137-I141 HydrophobicContact CD2-CD1 4.43Å; L137-I141 WeakPolarHBondContact O-CG1 2.92Å; L137-I141 PolarHBondContact O-N 2.62Å
142L63.2Low82.3Confident154 Ų15453.1 Ų53.181%0.80630%0.297SS*.  trans-90.1-9.8-179.8-62.7175.8000114.3S138S138-L142 WeakPolarHBondContact O-CB 3.38Å; S138-L142 WeakPolarHBondContact O-CD1 3.48Å; S138-L142 VanDerWaalsContact O-CG 3.3Å; S138-L142 WeakPolarHBondContact O-CG 3.37Å; S138-L142 PolarHBondContact O-N 3.37Å
143S55.4Low81.2Confident87 Ų8756.1 Ų56.161%0.60831%0.312SS*.  trans-820168.160.40000111.5R14 R33 T139 I140R14-S143 VanDerWaalsContact NH2-CB 3.33Å; R14-S143 PolarHBondContact NH2-OG 3.37Å; R33-S143 PolarHBondContact NH1-OXT 3.23Å; T139-S143 WeakPolarHBondContact O-CB 3.33Å; T139-S143 PolarHBondContact O-OG 2.92Å; I140-S143 PolarHBondContact O-OG 3.26Å; I140-S143 VanDerWaalsContact O-OG 3.04Å

Retrieved 143 of 143 residues in 232.2 ms (Link to these results)

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