G4LZZ2_SCHMA Loading...

Neuronal calcium sensor, putative

AlphaFold DB , UniProt , Accession G4LZZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 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
1M50.1Low75.2Confident231 Ų231100.7 Ų100.7100%1.13854%0.54SS*.  014.30-89.8-176.9-174.700114.2
2R59.9Low76.6Confident237 Ų237106.3 Ų106.389%0.89456%0.556SS**  trans-87.6-25.7176.9-74.9-175.4178.1175.6-0.1113.7
3D63.9Low77.7Confident119 Ų119102.5 Ų102.564%0.63653%0.532SS*.SBendtrans-93-17.1-168.1-51.9-61.8000115.1
4C66Low78.7Confident39 Ų3996.1 Ų96.126%0.26450%0.498SS..  trans-139.879.1179.9-67.60000110.5S6 G7 L9C4-S6 PolarHBondContact O-N 2.82Å; C4-G7 PolarHBondContact O-N 3.12Å; C4-L9 VanDerWaalsContact SG-CD1 3.58Å
5P68.1Low79.7Confident128 Ų12891.3 Ų91.383%0.83147%0.473SS*.THydrogen-bonded Turntrans-63.4-23.1-175.221.9-31.3000114G7P5-G7 VanDerWaalsContact C-N 3.34Å
6S76.7Confident80.4Confident82 Ų8292.3 Ų92.357%0.57348%0.475SS*.THydrogen-bonded Turntrans-83.4-6.2174.857.60000114.1C4 Q8C4-S6 PolarHBondContact O-N 2.82Å; S6-Q8 PolarHBondContact O-N 2.68Å; S6-Q8 PolarHBondContact OG-N 2.9Å; S6-Q8 PolarHBondContact OG-O 3.34Å
7G80.6Confident80.9Confident45 Ų4590.6 Ų90.646%0.46447%0.47SS..SBendtrans71.59.8-169.200000114.2C4 P5C4-G7 PolarHBondContact O-N 3.12Å; P5-G7 VanDerWaalsContact C-N 3.34Å
8Q86.3Confident81.2Confident80 Ų8089.9 Ų89.937%0.37446%0.461SS..  trans-122.1137.2177.6-63.3-179-42.600110.2S6 R45 I46S6-Q8 PolarHBondContact O-N 2.68Å; S6-Q8 PolarHBondContact OG-N 2.9Å; S6-Q8 PolarHBondContact OG-O 3.34Å; Q8-R45 HydrophobicContact CB-CB 4.46Å; Q8-I46 WeakPolarHBondContact CA-O 3.36Å
9L90.2Very high81.7Confident31 Ų3187.6 Ų87.616%0.16245%0.453CS..EExtended strand (participates in β ladder)trans-102.5117.8176.7-179.460.9000109.7C4 K13 F14 R45 I46C4-L9 VanDerWaalsContact SG-CD1 3.58Å; L9-K13 HydrophobicContact CD1-CB 3.8Å; L9-K13 HydrophobicContact CD1-CG 3.7Å; L9-F14 HydrophobicContact CD2-CB 4.33Å; L9-F14 HydrophobicContact CD2-CD2 3.69Å; L9-F14 HydrophobicContact CG-CB 4.27Å; L9-F14 HydrophobicContact CG-CD2 4.46Å; L9-R45 WeakPolarHBondContact O-CA 3.15Å; L9-I46 HydrophobicContact CB-CB 4.32Å; L9-I46 PolarHBondContact N-O 2.86Å; L9-I46 PolarHBondContact O-N 2.94Å
10S92.1Very high82Confident37 Ų3786.3 Ų86.326%0.25946%0.462SS..EExtended strand (participates in β ladder)trans-79.3153176.469.60000111.2K12 K13 F14S10-K12 PolarHBondContact O-N 3.17Å; S10-K13 PolarHBondContact O-N 2.93Å; S10-K13 PolarHBondContact OG-N 3.21Å; S10-F14 PolarHBondContact O-N 2.76Å
11K93Very high82.2Confident79 Ų7989.3 Ų89.334%0.34347%0.471SS..Hα-helixtrans-51.3-43.1173.8-175177.3177.5-178.80112.9K13 F14 I15 T32 F35K11-K13 PolarHBondContact O-N 2.7Å; K11-F14 WeakPolarHBondContact O-CB 3.44Å; K11-F14 PolarHBondContact O-N 3.25Å; K11-I15 HydrophobicContact CG-CD1 3.89Å; K11-I15 WeakPolarHBondContact O-CG1 3.43Å; K11-I15 PolarHBondContact O-N 3.25Å; K11-T32 WeakPolarHBondContact CE-OG1 3.48Å; K11-T32 PolarHBondContact NZ-OG1 2.83Å; K11-F35 HydrophobicContact CB-CD1 4.14Å; K11-F35 HydrophobicContact CB-CD2 4.06Å; K11-F35 HydrophobicContact CB-CE1 3.96Å; K11-F35 HydrophobicContact CB-CE2 3.89Å; K11-F35 HydrophobicContact CB-CG 4.18Å; K11-F35 HydrophobicContact CB-CZ 3.83Å; K11-F35 HydrophobicContact CD-CD1 4.43Å; K11-F35 HydrophobicContact CG-CD1 4.23Å; K11-F35 HydrophobicContact CG-CD2 4.28Å; K11-F35 HydrophobicContact CG-CG 4.09Å; K11-F35 VanDerWaalsContact N-CE2 3.31Å
12K92.6Very high83.9Confident168 Ų16881.4 Ų81.473%0.7343%0.431SS*.Hα-helixtrans-58.7-46.6177.1-178.9178.7177.4178.50112S10 I15 E16S10-K12 PolarHBondContact O-N 3.17Å; K12-I15 PolarHBondContact O-N 2.88Å; K12-E16 WeakPolarHBondContact O-CB 3.3Å; K12-E16 PolarHBondContact O-N 3.06Å
13K90.8Very high85.1Confident56 Ų5674.7 Ų74.724%0.24342%0.418CS..Hα-helixtrans-71.2-35.1-179.8-174.460.6179.7-1800111.5L9 S10 K11 E16 V17L9-K13 HydrophobicContact CD1-CB 3.8Å; L9-K13 HydrophobicContact CD1-CG 3.7Å; S10-K13 PolarHBondContact O-N 2.93Å; S10-K13 PolarHBondContact OG-N 3.21Å; K11-K13 PolarHBondContact O-N 2.7Å; K13-E16 HydrophobicContact CD-CB 4.48Å; K13-E16 WeakPolarHBondContact CD-OE2 3.24Å; K13-E16 IonicContact NZ-OE1 2.93Å; K13-E16 PolarHBondContact NZ-OE1 2.78Å; K13-E16 IonicContact NZ-OE2 3.97Å; K13-E16 PolarHBondContact O-N 3.25Å; K13-V17 WeakPolarHBondContact O-CG2 3.29Å; K13-V17 PolarHBondContact O-N 3.26Å
14F91.7Very high86.1Confident13 Ų1375.2 Ų75.26%0.05742%0.421CS..Hα-helixtrans-58-51.2173-173.3-91.9000111.1L9 S10 K11 E16 V17 Y18 C31 V34 F35 I46L9-F14 HydrophobicContact CD2-CB 4.33Å; L9-F14 HydrophobicContact CD2-CD2 3.69Å; L9-F14 HydrophobicContact CG-CB 4.27Å; L9-F14 HydrophobicContact CG-CD2 4.46Å; S10-F14 PolarHBondContact O-N 2.76Å; K11-F14 WeakPolarHBondContact O-CB 3.44Å; K11-F14 PolarHBondContact O-N 3.25Å; F14-E16 PolarHBondContact O-N 3.43Å; F14-V17 PolarHBondContact O-N 2.91Å; F14-Y18 HydrophobicContact CD1-CD2 4.18Å; F14-Y18 HydrophobicContact CD1-CE2 4.47Å; F14-Y18 HydrophobicContact CD2-CD2 4.48Å; F14-Y18 HydrophobicContact CD2-CE2 4.24Å; F14-Y18 AromaticContact CE1-CD2 3.81Å; F14-Y18 HydrophobicContact CE1-CD2 3.81Å; F14-Y18 AromaticContact CE1-CE2 3.8Å; F14-Y18 HydrophobicContact CE1-CE2 3.8Å; F14-Y18 HydrophobicContact CE2-CD2 4.14Å; F14-Y18 AromaticContact CE2-CE2 3.54Å; F14-Y18 HydrophobicContact CE2-CE2 3.54Å; F14-Y18 HydrophobicContact CG-CD2 4.49Å; F14-Y18 AromaticContact CZ-CD2 3.77Å; F14-Y18 HydrophobicContact CZ-CD2 3.77Å; F14-Y18 AromaticContact CZ-CE2 3.27Å; F14-Y18 HydrophobicContact CZ-CE2 3.27Å; F14-Y18 AromaticContact CZ-CZ 3.91Å; F14-Y18 WeakPolarHBondContact O-CD2 3.45Å; F14-Y18 PolarHBondContact O-N 2.99Å; F14-Y18 VanDerWaalsContact O-N 3.14Å; F14-C31 HydrophobicContact CD1-CB 3.97Å; F14-C31 HydrophobicContact CE1-CB 3.96Å; F14-V34 HydrophobicContact CE1-CB 4.15Å; F14-V34 HydrophobicContact CE1-CG1 4.01Å; F14-V34 HydrophobicContact CZ-CB 4.21Å; F14-V34 HydrophobicContact CZ-CG1 3.55Å; F14-F35 HydrophobicContact CB-CD2 3.85Å; F14-F35 HydrophobicContact CB-CE2 4.22Å; F14-F35 HydrophobicContact CD1-CB 4.33Å; F14-F35 HydrophobicContact CD1-CD2 4.16Å; F14-F35 HydrophobicContact CD2-CD2 4.34Å; F14-F35 AromaticContact CG-CD2 3.86Å; F14-F35 HydrophobicContact CG-CD2 3.86Å; F14-I46 HydrophobicContact CD2-CD1 4.16Å; F14-I46 HydrophobicContact CE2-CD1 4.35Å
15I92.9Very high87.1Confident25 Ų2574.6 Ų74.613%0.12842%0.421CS..Hα-helixtrans-59.1-47.4175.6-66.3160.5000110.8K11 K12 V17 Y18 S19 E28 C31K11-I15 HydrophobicContact CG-CD1 3.89Å; K11-I15 WeakPolarHBondContact O-CG1 3.43Å; K11-I15 PolarHBondContact O-N 3.25Å; K12-I15 PolarHBondContact O-N 2.88Å; I15-V17 VanDerWaalsContact C-N 3.29Å; I15-V17 PolarHBondContact O-N 3.24Å; I15-Y18 PolarHBondContact O-N 2.88Å; I15-S19 WeakPolarHBondContact O-CB 3.37Å; I15-S19 PolarHBondContact O-N 3.3Å; I15-S19 PolarHBondContact O-OG 2.9Å; I15-S19 VanDerWaalsContact O-OG 3.08Å; I15-E28 HydrophobicContact CD1-CG 4.2Å; I15-E28 HydrophobicContact CG2-CB 4.31Å; I15-E28 HydrophobicContact CG2-CG 4.47Å; I15-C31 HydrophobicContact CB-CB 4.48Å; I15-C31 HydrophobicContact CG1-CB 3.69Å
16E91.6Very high88.2Confident107 Ų10772 Ų7250%0.540%0.4SS..Hα-helixtrans-55.6-42.4179.5-173.3-165.213800112.7K12 K13 F14 G20K12-E16 WeakPolarHBondContact O-CB 3.3Å; K12-E16 PolarHBondContact O-N 3.06Å; K13-E16 HydrophobicContact CD-CB 4.48Å; K13-E16 WeakPolarHBondContact CD-OE2 3.24Å; K13-E16 IonicContact NZ-OE1 2.93Å; K13-E16 PolarHBondContact NZ-OE1 2.78Å; K13-E16 IonicContact NZ-OE2 3.97Å; K13-E16 PolarHBondContact O-N 3.25Å; F14-E16 PolarHBondContact O-N 3.43Å; E16-G20 PolarHBondContact O-N 3.47Å
17V88.1Confident88.9Confident64 Ų6468.1 Ų68.139%0.38837%0.373SS..Hα-helixtrans-64.7-48.3177.7169.60000110.9K13 F14 I15 G20 F21K13-V17 WeakPolarHBondContact O-CG2 3.29Å; K13-V17 PolarHBondContact O-N 3.26Å; F14-V17 PolarHBondContact O-N 2.91Å; I15-V17 VanDerWaalsContact C-N 3.29Å; I15-V17 PolarHBondContact O-N 3.24Å; V17-G20 PolarHBondContact O-N 2.8Å; V17-F21 HydrophobicContact CG1-CE2 3.89Å; V17-F21 VanDerWaalsContact O-CD2 3.23Å; V17-F21 WeakPolarHBondContact O-CD2 3.5Å
18Y86.1Confident89.6Confident78 Ų7871.1 Ų71.131%0.30638%0.375SS..Hα-helixtrans-69.8-38.2-178.5-88.5-94.2000113.4F14 I15 G20 F21 F22 C31F14-Y18 HydrophobicContact CD1-CD2 4.18Å; F14-Y18 HydrophobicContact CD1-CE2 4.47Å; F14-Y18 HydrophobicContact CD2-CD2 4.48Å; F14-Y18 HydrophobicContact CD2-CE2 4.24Å; F14-Y18 AromaticContact CE1-CD2 3.81Å; F14-Y18 HydrophobicContact CE1-CD2 3.81Å; F14-Y18 AromaticContact CE1-CE2 3.8Å; F14-Y18 HydrophobicContact CE1-CE2 3.8Å; F14-Y18 HydrophobicContact CE2-CD2 4.14Å; F14-Y18 AromaticContact CE2-CE2 3.54Å; F14-Y18 HydrophobicContact CE2-CE2 3.54Å; F14-Y18 HydrophobicContact CG-CD2 4.49Å; F14-Y18 AromaticContact CZ-CD2 3.77Å; F14-Y18 HydrophobicContact CZ-CD2 3.77Å; F14-Y18 AromaticContact CZ-CE2 3.27Å; F14-Y18 HydrophobicContact CZ-CE2 3.27Å; F14-Y18 AromaticContact CZ-CZ 3.91Å; F14-Y18 WeakPolarHBondContact O-CD2 3.45Å; F14-Y18 PolarHBondContact O-N 2.99Å; F14-Y18 VanDerWaalsContact O-N 3.14Å; I15-Y18 PolarHBondContact O-N 2.88Å; Y18-G20 PolarHBondContact O-N 3.35Å; Y18-F21 PolarHBondContact O-N 3.28Å; Y18-F22 HydrophobicContact CD1-CE2 4.49Å; Y18-F22 PolarHBondContact O-N 2.79Å; Y18-C31 WeakPolarHBondContact CB-SG 3.2Å
19S90.7Very high90Very high46 Ų4673.2 Ų73.232%0.32238%0.383SS..Hα-helixtrans-58.6-28.7172.6-66.40000112.4I15 F21 F22I15-S19 WeakPolarHBondContact O-CB 3.37Å; I15-S19 PolarHBondContact O-N 3.3Å; I15-S19 PolarHBondContact O-OG 2.9Å; I15-S19 VanDerWaalsContact O-OG 3.08Å; S19-F21 VanDerWaalsContact C-N 3.28Å; S19-F21 PolarHBondContact O-N 3.21Å; S19-F22 CarbonylContact O-C 3.41Å; S19-F22 PolarHBondContact O-N 3.13Å
20G89.3Confident90.1Very high61 Ų6173.3 Ų73.363%0.62938%0.382SS*.THydrogen-bonded Turntrans-67.2-24.7173.400000114.5E16 V17 Y18E16-G20 PolarHBondContact O-N 3.47Å; V17-G20 PolarHBondContact O-N 2.8Å; Y18-G20 PolarHBondContact O-N 3.35Å
21F86.5Confident90.3Very high149 Ų14971.5 Ų71.565%0.65437%0.37SS*.THydrogen-bonded Turntrans-87.6-24.2176.8-66.7-73.7000113.3V17 Y18 S19 P23V17-F21 HydrophobicContact CG1-CE2 3.89Å; V17-F21 VanDerWaalsContact O-CD2 3.23Å; V17-F21 WeakPolarHBondContact O-CD2 3.5Å; Y18-F21 PolarHBondContact O-N 3.28Å; S19-F21 VanDerWaalsContact C-N 3.28Å; S19-F21 PolarHBondContact O-N 3.21Å; F21-P23 VanDerWaalsContact O-CD 3.29Å; F21-P23 WeakPolarHBondContact O-CD 3.16Å
22F84.8Confident90.4Very high65 Ų6569.7 Ų69.729%0.28537%0.365SS..  trans-120.365.7-179.7-62.1-84.1000110.5Y18 S19 D24 G25 M97 L98Y18-F22 HydrophobicContact CD1-CE2 4.49Å; Y18-F22 PolarHBondContact O-N 2.79Å; S19-F22 CarbonylContact O-C 3.41Å; S19-F22 PolarHBondContact O-N 3.13Å; F22-D24 PolarHBondContact O-N 2.87Å; F22-G25 PolarHBondContact O-N 3.26Å; F22-M97 HydrophobicContact CB-CG 4.2Å; F22-M97 HydrophobicContact CD1-CG 4.03Å; F22-M97 HydrophobicContact CD2-CG 3.95Å; F22-M97 HydrophobicContact CD2-SD 3.94Å; F22-M97 HydrophobicContact CE1-CE 4.18Å; F22-M97 HydrophobicContact CE1-CG 4.4Å; F22-M97 HydrophobicContact CE1-SD 4.48Å; F22-M97 HydrophobicContact CE2-CE 4.26Å; F22-M97 HydrophobicContact CE2-CG 4.33Å; F22-M97 HydrophobicContact CE2-SD 3.81Å; F22-M97 HydrophobicContact CG-CG 3.79Å; F22-M97 HydrophobicContact CG-SD 4.35Å; F22-M97 HydrophobicContact CZ-CE 3.94Å; F22-M97 HydrophobicContact CZ-SD 4.1Å; F22-L98 HydrophobicContact CE1-CD2 4.13Å
23P84.2Confident90.5Very high97 Ų9762.1 Ų62.163%0.6333%0.333SS*.THydrogen-bonded Turntrans-65.7-26.7-173.227.7-35.9000113.5F21F21-P23 VanDerWaalsContact O-CD 3.29Å; F21-P23 WeakPolarHBondContact O-CD 3.16Å
24D85Confident90.6Very high129 Ų12959.7 Ų59.769%0.6932%0.322SS*.THydrogen-bonded Turntrans-90.4-3.5-176.2-55.7-47.8000113.2F22F22-D24 PolarHBondContact O-N 2.87Å
25G88.2Confident90.8Very high27 Ų2759.4 Ų59.428%0.27832%0.321SS..SBendtrans-125.6-170.5177.800000113F22 M97F22-G25 PolarHBondContact O-N 3.26Å; G25-M97 WeakPolarHBondContact CA-O 3.5Å
26N91.4Very high90.9Very high72 Ų7261.4 Ų61.439%0.38533%0.327SS..  trans-122.798.2175-178-6000110.4E28 S96 M97N26-E28 VanDerWaalsContact C-N 3.29Å; N26-E28 PolarHBondContact O-N 2.93Å; N26-E28 WeakPolarHBondContact OD1-CB 3.45Å; N26-E28 PolarHBondContact OD1-N 3.3Å; N26-S96 PolarHBondContact N-O 3Å; N26-S96 CarbonylContact O-C 3.57Å; N26-S96 PolarHBondContact O-OG 3.41Å; N26-S96 VanDerWaalsContact O-OG 3.1Å; N26-M97 WeakPolarHBondContact O-CA 3.27Å; N26-M97 PolarHBondContact O-N 3.4Å
27A91.8Very high91Very high1 Ų156.5 Ų56.51%0.00831%0.305CS..  trans-75.7-7.5179.800000114.5K29 F30 C31 M97A27-K29 PolarHBondContact O-N 3Å; A27-F30 PolarHBondContact O-N 3.01Å; A27-C31 WeakPolarHBondContact O-CB 3.43Å; A27-C31 PolarHBondContact O-N 2.88Å; A27-C31 PolarHBondContact O-SG 3.18Å; A27-M97 HydrophobicContact CB-CG 3.83Å; A27-M97 HydrophobicContact CB-SD 4.25Å
28E94.6Very high91.2Very high109 Ų10954.3 Ų54.351%0.50929%0.29SS..Hα-helixtrans-56.8-45.8-169.7-179.6175.4-167.400113.4I15 N26 T32I15-E28 HydrophobicContact CD1-CG 4.2Å; I15-E28 HydrophobicContact CG2-CB 4.31Å; I15-E28 HydrophobicContact CG2-CG 4.47Å; N26-E28 VanDerWaalsContact C-N 3.29Å; N26-E28 PolarHBondContact O-N 2.93Å; N26-E28 WeakPolarHBondContact OD1-CB 3.45Å; N26-E28 PolarHBondContact OD1-N 3.3Å; E28-T32 WeakPolarHBondContact O-CB 3.19Å; E28-T32 PolarHBondContact O-N 2.85Å; E28-T32 PolarHBondContact O-OG1 3.49Å
29K94.4Very high91.6Very high123 Ų12351.1 Ų51.154%0.53528%0.278SS..Hα-helixtrans-67.5-49.6-179.8-68.2-175.4179.1-178.90111.2A27 C31 T32 H33 A93A27-K29 PolarHBondContact O-N 3Å; K29-C31 VanDerWaalsContact C-N 3.33Å; K29-C31 PolarHBondContact O-N 3.43Å; K29-T32 WeakPolarHBondContact O-CA 3.29Å; K29-T32 VanDerWaalsContact O-CB 3.27Å; K29-T32 WeakPolarHBondContact O-CB 3.21Å; K29-T32 PolarHBondContact O-N 3.18Å; K29-H33 PolarHBondContact O-CD2 3.44Å; K29-H33 PolarHBondContact O-N 3.11Å; K29-A93 HydrophobicContact CB-CB 3.78Å
30F93.2Very high91.7Very high33 Ų3354.3 Ų54.315%0.14529%0.286CS..Hα-helixtrans-60-46.6179.2-176.7-99.5000111.1A27 T32 H33 V34 M73 A93 I94 M97A27-F30 PolarHBondContact O-N 3.01Å; F30-T32 PolarHBondContact O-N 3.01Å; F30-H33 PolarHBondContact O-N 3.31Å; F30-H33 VanDerWaalsContact O-N 3.1Å; F30-V34 HydrophobicContact CD1-CG2 3.94Å; F30-V34 HydrophobicContact CE1-CG2 3.54Å; F30-V34 HydrophobicContact CZ-CG2 3.87Å; F30-V34 WeakPolarHBondContact O-CG2 3.48Å; F30-V34 PolarHBondContact O-N 3.36Å; F30-M73 HydrophobicContact CE2-SD 3.87Å; F30-M73 HydrophobicContact CZ-SD 4.14Å; F30-A93 HydrophobicContact CB-CB 4.23Å; F30-I94 HydrophobicContact CD2-CG1 3.7Å; F30-I94 HydrophobicContact CE2-CD1 4.37Å; F30-I94 HydrophobicContact CE2-CG1 3.72Å; F30-M97 HydrophobicContact CB-CB 4.21Å; F30-M97 HydrophobicContact CB-SD 3.91Å; F30-M97 HydrophobicContact CD1-CE 3.83Å; F30-M97 HydrophobicContact CD1-SD 3.3Å; F30-M97 WeakPolarHBondContact CD1-SD 3.11Å; F30-M97 HydrophobicContact CE1-CE 4Å; F30-M97 HydrophobicContact CE1-SD 3.96Å; F30-M97 HydrophobicContact CG-CE 4.09Å; F30-M97 HydrophobicContact CG-SD 3.71Å; F30-M97 HydrophobicContact CZ-CE 4.43Å
31C94.5Very high91.8Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-60.1-32.9175.7-69.90000112.9F14 I15 Y18 A27 K29 F35F14-C31 HydrophobicContact CD1-CB 3.97Å; F14-C31 HydrophobicContact CE1-CB 3.96Å; I15-C31 HydrophobicContact CB-CB 4.48Å; I15-C31 HydrophobicContact CG1-CB 3.69Å; Y18-C31 WeakPolarHBondContact CB-SG 3.2Å; A27-C31 WeakPolarHBondContact O-CB 3.43Å; A27-C31 PolarHBondContact O-N 2.88Å; A27-C31 PolarHBondContact O-SG 3.18Å; K29-C31 VanDerWaalsContact C-N 3.33Å; K29-C31 PolarHBondContact O-N 3.43Å; C31-F35 WeakPolarHBondContact O-CB 3.49Å; C31-F35 PolarHBondContact O-N 3.46Å
32T95.5Very high92.1Very high40 Ų4055 Ų5525%0.24528%0.282CS..Hα-helixtrans-63.1-44.6175.1-70.50000111.6K11 E28 K29 F30 R36K11-T32 WeakPolarHBondContact CE-OG1 3.48Å; K11-T32 PolarHBondContact NZ-OG1 2.83Å; E28-T32 WeakPolarHBondContact O-CB 3.19Å; E28-T32 PolarHBondContact O-N 2.85Å; E28-T32 PolarHBondContact O-OG1 3.49Å; K29-T32 WeakPolarHBondContact O-CA 3.29Å; K29-T32 VanDerWaalsContact O-CB 3.27Å; K29-T32 WeakPolarHBondContact O-CB 3.21Å; K29-T32 PolarHBondContact O-N 3.18Å; F30-T32 PolarHBondContact O-N 3.01Å; T32-R36 PolarHBondContact O-N 2.99Å; T32-R36 VanDerWaalsContact O-N 3.12Å
33H95.2Very high92.5Very high10 Ų1054.9 Ų54.95%0.04629%0.289CS..Hα-helixtrans-67.9-44.4177.3-63-66.5000111.7K29 F30 F35 R36 T37 M73 E89 I90K29-H33 PolarHBondContact O-CD2 3.44Å; K29-H33 PolarHBondContact O-N 3.11Å; F30-H33 PolarHBondContact O-N 3.31Å; F30-H33 VanDerWaalsContact O-N 3.1Å; H33-F35 VanDerWaalsContact C-N 3.33Å; H33-F35 PolarHBondContact O-N 3.29Å; H33-R36 WeakPolarHBondContact O-CB 3.37Å; H33-R36 PolarHBondContact O-N 3.43Å; H33-T37 PolarHBondContact O-N 3.2Å; H33-M73 HydrophobicContact CB-CG 4.37Å; H33-E89 IonicContact CE1-OE1 2.71Å; H33-E89 PolarHBondContact CE1-OE1 3.45Å; H33-E89 IonicContact NE2-OE1 3.52Å; H33-I90 HydrophobicContact CB-CD1 3.84Å; H33-I90 VanDerWaalsContact CD2-CD1 3.5Å; H33-I90 WeakPolarHBondContact CD2-CD1 3.39Å
34V93.8Very high92.9Very high5 Ų552 Ų523%0.0328%0.278CS..Hα-helixtrans-58-47.7175.41760000110.8F14 F30 R36 T37 F38 W69 M73F14-V34 HydrophobicContact CE1-CB 4.15Å; F14-V34 HydrophobicContact CE1-CG1 4.01Å; F14-V34 HydrophobicContact CZ-CB 4.21Å; F14-V34 HydrophobicContact CZ-CG1 3.55Å; F30-V34 HydrophobicContact CD1-CG2 3.94Å; F30-V34 HydrophobicContact CE1-CG2 3.54Å; F30-V34 HydrophobicContact CZ-CG2 3.87Å; F30-V34 WeakPolarHBondContact O-CG2 3.48Å; F30-V34 PolarHBondContact O-N 3.36Å; V34-R36 VanDerWaalsContact C-N 3.33Å; V34-R36 PolarHBondContact O-N 2.83Å; V34-T37 PolarHBondContact O-N 2.72Å; V34-T37 PolarHBondContact O-OG1 2.83Å; V34-F38 HydrophobicContact CG1-CD2 3.95Å; V34-F38 HydrophobicContact CG1-CE2 3.43Å; V34-F38 VanDerWaalsContact CG1-CE2 3.43Å; V34-F38 HydrophobicContact CG1-CZ 4.04Å; V34-F38 PolarHBondContact O-N 2.9Å; V34-W69 HydrophobicContact CG1-CZ2 4.41Å; V34-M73 HydrophobicContact CG2-CE 3.96Å; V34-M73 HydrophobicContact CG2-SD 4.38Å
35F94.8Very high93.3Very high6 Ų651.3 Ų51.33%0.02627%0.265CS..Hα-helixtrans-57.8-45-179.9-169.9-84.1000111.7K11 F14 C31 H33 T37 F38 D39 G44 I46K11-F35 HydrophobicContact CB-CD1 4.14Å; K11-F35 HydrophobicContact CB-CD2 4.06Å; K11-F35 HydrophobicContact CB-CE1 3.96Å; K11-F35 HydrophobicContact CB-CE2 3.89Å; K11-F35 HydrophobicContact CB-CG 4.18Å; K11-F35 HydrophobicContact CB-CZ 3.83Å; K11-F35 HydrophobicContact CD-CD1 4.43Å; K11-F35 HydrophobicContact CG-CD1 4.23Å; K11-F35 HydrophobicContact CG-CD2 4.28Å; K11-F35 HydrophobicContact CG-CG 4.09Å; K11-F35 VanDerWaalsContact N-CE2 3.31Å; F14-F35 HydrophobicContact CB-CD2 3.85Å; F14-F35 HydrophobicContact CB-CE2 4.22Å; F14-F35 HydrophobicContact CD1-CB 4.33Å; F14-F35 HydrophobicContact CD1-CD2 4.16Å; F14-F35 HydrophobicContact CD2-CD2 4.34Å; F14-F35 AromaticContact CG-CD2 3.86Å; F14-F35 HydrophobicContact CG-CD2 3.86Å; C31-F35 WeakPolarHBondContact O-CB 3.49Å; C31-F35 PolarHBondContact O-N 3.46Å; H33-F35 VanDerWaalsContact C-N 3.33Å; H33-F35 PolarHBondContact O-N 3.29Å; F35-T37 VanDerWaalsContact C-N 3.27Å; F35-T37 PolarHBondContact O-N 3.28Å; F35-F38 PolarHBondContact O-N 3.31Å; F35-F38 VanDerWaalsContact O-N 3.08Å; F35-D39 HydrophobicContact CD1-CB 4.02Å; F35-D39 HydrophobicContact CE1-CB 3.75Å; F35-D39 WeakPolarHBondContact CE1-OD2 3.42Å; F35-D39 WeakPolarHBondContact O-CB 3.15Å; F35-D39 PolarHBondContact O-N 2.9Å; F35-G44 WeakPolarHBondContact CZ-O 3.39Å; F35-I46 HydrophobicContact CD2-CD1 3.55Å; F35-I46 HydrophobicContact CD2-CG1 4.03Å; F35-I46 HydrophobicContact CE2-CB 4.5Å; F35-I46 HydrophobicContact CE2-CD1 3.6Å; F35-I46 HydrophobicContact CE2-CG1 3.63Å; F35-I46 HydrophobicContact CG-CD1 4.29Å; F35-I46 HydrophobicContact CZ-CD1 4.37Å; F35-I46 HydrophobicContact CZ-CG1 3.93Å
36R94.6Very high93.6Very high67 Ų6750.2 Ų50.225%0.25325%0.253SS..Hα-helixtrans-55.6-40.6175.4175.3-17166.5-159.4-2.5112.2T32 H33 V34 F38 M73 I76T32-R36 PolarHBondContact O-N 2.99Å; T32-R36 VanDerWaalsContact O-N 3.12Å; H33-R36 WeakPolarHBondContact O-CB 3.37Å; H33-R36 PolarHBondContact O-N 3.43Å; V34-R36 VanDerWaalsContact C-N 3.33Å; V34-R36 PolarHBondContact O-N 2.83Å; R36-F38 PolarHBondContact O-N 2.83Å; R36-M73 PolarHBondContact NH2-O 3.4Å; R36-I76 PolarHBondContact NH1-O 2.87Å
37T94.1Very high93.6Very high5 Ų549.3 Ų49.33%0.03125%0.248CC..Hα-helixtrans-69.3-21.5-179.267.30000113.5H33 V34 F35 K40 W69 Q72 M73H33-T37 PolarHBondContact O-N 3.2Å; V34-T37 PolarHBondContact O-N 2.72Å; V34-T37 PolarHBondContact O-OG1 2.83Å; F35-T37 VanDerWaalsContact C-N 3.27Å; F35-T37 PolarHBondContact O-N 3.28Å; T37-K40 WeakPolarHBondContact O-CD 3.46Å; T37-K40 WeakPolarHBondContact O-CE 3.45Å; T37-K40 PolarHBondContact O-NZ 3.29Å; T37-W69 PolarHBondContact OG1-NE1 3.46Å; T37-Q72 HydrophobicContact CG2-CB 4.4Å; T37-Q72 WeakPolarHBondContact CG2-O 3.37Å; T37-M73 HydrophobicContact CG2-CB 4.21Å
38F93.5Very high93.5Very high18 Ų1855.9 Ų55.98%0.07928%0.277CS..Hα-helixtrans-97.3-35.7179.8-63-29.2000113.6V34 F35 R36 K40 I46 E50 A54 T58 W69V34-F38 HydrophobicContact CG1-CD2 3.95Å; V34-F38 HydrophobicContact CG1-CE2 3.43Å; V34-F38 VanDerWaalsContact CG1-CE2 3.43Å; V34-F38 HydrophobicContact CG1-CZ 4.04Å; V34-F38 PolarHBondContact O-N 2.9Å; F35-F38 PolarHBondContact O-N 3.31Å; F35-F38 VanDerWaalsContact O-N 3.08Å; R36-F38 PolarHBondContact O-N 2.83Å; F38-K40 PolarHBondContact O-N 3.26Å; F38-I46 HydrophobicContact CB-CD1 3.75Å; F38-I46 HydrophobicContact CB-CG1 4.02Å; F38-I46 HydrophobicContact CD2-CD1 4.07Å; F38-I46 HydrophobicContact CG-CD1 4.43Å; F38-E50 WeakPolarHBondContact O-CB 3.45Å; F38-E50 WeakPolarHBondContact O-CG 3.42Å; F38-A54 HydrophobicContact CB-CB 4.44Å; F38-A54 HydrophobicContact CD1-CB 3.41Å; F38-A54 VanDerWaalsContact CD1-CB 3.41Å; F38-A54 HydrophobicContact CD2-CB 3.8Å; F38-A54 HydrophobicContact CE1-CB 3.41Å; F38-A54 VanDerWaalsContact CE1-CB 3.41Å; F38-A54 HydrophobicContact CE2-CB 3.78Å; F38-A54 HydrophobicContact CG-CB 3.63Å; F38-A54 HydrophobicContact CZ-CB 3.6Å; F38-T58 HydrophobicContact CE1-CG2 4.4Å; F38-T58 HydrophobicContact CZ-CG2 3.91Å; F38-W69 AromaticContact CE1-CE2 3.79Å; F38-W69 AromaticContact CE1-CZ2 3.96Å; F38-W69 HydrophobicContact CE1-CZ2 3.96Å; F38-W69 AromaticContact CE1-NE1 3.35Å; F38-W69 VanDerWaalsContact CE1-NE1 3.35Å; F38-W69 AromaticContact CZ-CZ2 3.69Å; F38-W69 HydrophobicContact CZ-CZ2 3.69Å
39D94.6Very high93.4Very high10 Ų1057.7 Ų57.75%0.05328%0.283CS..  trans-74.173.7174.1-176.914.2000110F35 D41 N42 S43 G44 E50F35-D39 HydrophobicContact CD1-CB 4.02Å; F35-D39 HydrophobicContact CE1-CB 3.75Å; F35-D39 WeakPolarHBondContact CE1-OD2 3.42Å; F35-D39 WeakPolarHBondContact O-CB 3.15Å; F35-D39 PolarHBondContact O-N 2.9Å; D39-D41 VanDerWaalsContact C-N 3.27Å; D39-D41 PolarHBondContact O-N 2.88Å; D39-N42 PolarHBondContact O-N 3.28Å; D39-N42 WeakPolarHBondContact OD1-CA 3.28Å; D39-N42 PolarHBondContact OD1-N 3.12Å; D39-N42 VanDerWaalsContact OD1-N 3.16Å; D39-S43 PolarHBondContact OD1-N 3.26Å; D39-S43 PolarHBondContact OD1-OG 2.82Å; D39-G44 WeakPolarHBondContact OD2-CA 3.22Å; D39-G44 PolarHBondContact OD2-N 3.18Å; D39-E50 WeakPolarHBondContact CA-OE1 3.39Å
40K91.2Very high93.4Very high113 Ų11352.3 Ų52.349%0.49126%0.26SS..THydrogen-bonded Turntrans-69-27.7-171.7-69.3-53.1-166.2-1670112.2T37 F38 E50T37-K40 WeakPolarHBondContact O-CD 3.46Å; T37-K40 WeakPolarHBondContact O-CE 3.45Å; T37-K40 PolarHBondContact O-NZ 3.29Å; F38-K40 PolarHBondContact O-N 3.26Å; K40-E50 PolarHBondContact N-OE1 3.26Å
41D92.3Very high93.2Very high99 Ų9955.3 Ų55.353%0.52927%0.273SS..THydrogen-bonded Turntrans-93-0.2177.275.41.9000113.8D39 S43 E50D39-D41 VanDerWaalsContact C-N 3.27Å; D39-D41 PolarHBondContact O-N 2.88Å; D41-S43 PolarHBondContact O-N 2.93Å; D41-S43 WeakPolarHBondContact OD1-CB 3.44Å; D41-S43 PolarHBondContact OD1-N 3.43Å; D41-S43 PolarHBondContact OD1-OG 3.05Å; D41-E50 PolarHBondContact N-OE1 3.3Å
42N92.2Very high93Very high127 Ų12759.5 Ų59.568%0.67930%0.295SS*.  trans55.932.2-177.5-59.6-71.6000113.3D39 G44D39-N42 PolarHBondContact O-N 3.28Å; D39-N42 WeakPolarHBondContact OD1-CA 3.28Å; D39-N42 PolarHBondContact OD1-N 3.12Å; D39-N42 VanDerWaalsContact OD1-N 3.16Å; N42-G44 PolarHBondContact O-N 2.84Å
43S93.5Very high92.7Very high62 Ų6261.7 Ų61.743%0.43431%0.305SS..SBendtrans-71.5-10.8177.5670000113.2D39 D41 R45D39-S43 PolarHBondContact OD1-N 3.26Å; D39-S43 PolarHBondContact OD1-OG 2.82Å; D41-S43 PolarHBondContact O-N 2.93Å; D41-S43 WeakPolarHBondContact OD1-CB 3.44Å; D41-S43 PolarHBondContact OD1-N 3.43Å; D41-S43 PolarHBondContact OD1-OG 3.05Å; S43-R45 VanDerWaalsContact C-N 3.28Å; S43-R45 PolarHBondContact OG-N 2.93Å; S43-R45 PolarHBondContact OG-O 2.9Å
44G93.4Very high92.4Very high37 Ų3761.5 Ų61.538%0.38130%0.304SS..SBendtrans7912.4-17300000112.9F35 D39 N42F35-G44 WeakPolarHBondContact CZ-O 3.39Å; D39-G44 WeakPolarHBondContact OD2-CA 3.22Å; D39-G44 PolarHBondContact OD2-N 3.18Å; N42-G44 PolarHBondContact O-N 2.84Å
45R93.1Very high92.1Very high113 Ų11364.9 Ų64.943%0.42632%0.321SS..EExtended strand (participates in β ladder)trans-142.9141.4-177.3-61.8-177.2-175.4-81.5-3.9108.6Q8 L9 S43 E50Q8-R45 HydrophobicContact CB-CB 4.46Å; L9-R45 WeakPolarHBondContact O-CA 3.15Å; S43-R45 VanDerWaalsContact C-N 3.28Å; S43-R45 PolarHBondContact OG-N 2.93Å; S43-R45 PolarHBondContact OG-O 2.9Å; R45-E50 VanDerWaalsContact O-OE2 3.14Å
46I93.2Very high91.8Very high5 Ų569 Ų693%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-90113.1167.8-64.6167.6000107.2Q8 L9 F14 F35 F38 E50 F51Q8-I46 WeakPolarHBondContact CA-O 3.36Å; L9-I46 HydrophobicContact CB-CB 4.32Å; L9-I46 PolarHBondContact N-O 2.86Å; L9-I46 PolarHBondContact O-N 2.94Å; F14-I46 HydrophobicContact CD2-CD1 4.16Å; F14-I46 HydrophobicContact CE2-CD1 4.35Å; F35-I46 HydrophobicContact CD2-CD1 3.55Å; F35-I46 HydrophobicContact CD2-CG1 4.03Å; F35-I46 HydrophobicContact CE2-CB 4.5Å; F35-I46 HydrophobicContact CE2-CD1 3.6Å; F35-I46 HydrophobicContact CE2-CG1 3.63Å; F35-I46 HydrophobicContact CG-CD1 4.29Å; F35-I46 HydrophobicContact CZ-CD1 4.37Å; F35-I46 HydrophobicContact CZ-CG1 3.93Å; F38-I46 HydrophobicContact CB-CD1 3.75Å; F38-I46 HydrophobicContact CB-CG1 4.02Å; F38-I46 HydrophobicContact CD2-CD1 4.07Å; F38-I46 HydrophobicContact CG-CD1 4.43Å; I46-E50 VanDerWaalsContact CA-OE2 3.32Å; I46-E50 WeakPolarHBondContact CA-OE2 3.35Å; I46-E50 HydrophobicContact CG2-CB 3.81Å; I46-F51 HydrophobicContact CG2-CB 3.93Å
47D92.5Very high91.3Very high52 Ų5267.8 Ų67.828%0.27834%0.342SS..  trans-79.3177.5173.784.315.4000112.2K49 E50 F51D47-K49 VanDerWaalsContact C-N 3.3Å; D47-K49 PolarHBondContact O-N 3.25Å; D47-K49 WeakPolarHBondContact OD1-CA 3.11Å; D47-K49 VanDerWaalsContact OD1-CB 3.29Å; D47-K49 WeakPolarHBondContact OD1-CB 3.32Å; D47-K49 PolarHBondContact OD1-N 3.16Å; D47-E50 PolarHBondContact N-OE2 3.07Å; D47-E50 PolarHBondContact O-N 3.06Å; D47-E50 PolarHBondContact OD1-N 3.42Å; D47-F51 VanDerWaalsContact O-CB 3.31Å; D47-F51 WeakPolarHBondContact O-CB 3.41Å; D47-F51 PolarHBondContact O-N 3.3Å
48F90.2Very high90.8Very high140 Ų14070 Ų7061%0.61436%0.356SS*.Hα-helixtrans-62.9-35.5-178.4-177.5-110.3000113.3L52F48-L52 HydrophobicContact CD1-CD1 3.99Å; F48-L52 HydrophobicContact CE1-CD1 3.43Å; F48-L52 VanDerWaalsContact CE1-CD1 3.43Å; F48-L52 HydrophobicContact CE1-CG 4.13Å; F48-L52 HydrophobicContact CE2-CD1 4.42Å; F48-L52 HydrophobicContact CE2-CD2 4.43Å; F48-L52 HydrophobicContact CE2-CG 4.28Å; F48-L52 HydrophobicContact CZ-CD1 3.68Å; F48-L52 HydrophobicContact CZ-CD2 4.18Å; F48-L52 HydrophobicContact CZ-CG 4Å; F48-L52 WeakPolarHBondContact O-CG 3.14Å; F48-L52 PolarHBondContact O-N 3.27Å
49K91.7Very high90.3Very high147 Ų14773.2 Ų73.264%0.63938%0.38SS*.Hα-helixtrans-70.1-45.3179.6-177.8-172.9174.1-169.10110.1D47 F51 L52 L53D47-K49 VanDerWaalsContact C-N 3.3Å; D47-K49 PolarHBondContact O-N 3.25Å; D47-K49 WeakPolarHBondContact OD1-CA 3.11Å; D47-K49 VanDerWaalsContact OD1-CB 3.29Å; D47-K49 WeakPolarHBondContact OD1-CB 3.32Å; D47-K49 PolarHBondContact OD1-N 3.16Å; K49-F51 VanDerWaalsContact C-N 3.35Å; K49-L52 PolarHBondContact O-N 3.39Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.19Å
50E93.9Very high89.6Confident10 Ų1075.6 Ų75.65%0.04741%0.407CS..Hα-helixtrans-62.9-42.1176.3-68.9174.4140.300111.8F38 D39 K40 D41 R45 I46 D47 L52 L53 A54F38-E50 WeakPolarHBondContact O-CB 3.45Å; F38-E50 WeakPolarHBondContact O-CG 3.42Å; D39-E50 WeakPolarHBondContact CA-OE1 3.39Å; K40-E50 PolarHBondContact N-OE1 3.26Å; D41-E50 PolarHBondContact N-OE1 3.3Å; R45-E50 VanDerWaalsContact O-OE2 3.14Å; I46-E50 VanDerWaalsContact CA-OE2 3.32Å; I46-E50 WeakPolarHBondContact CA-OE2 3.35Å; I46-E50 HydrophobicContact CG2-CB 3.81Å; D47-E50 PolarHBondContact N-OE2 3.07Å; D47-E50 PolarHBondContact O-N 3.06Å; D47-E50 PolarHBondContact OD1-N 3.42Å; E50-L52 PolarHBondContact O-N 3.44Å; E50-L53 PolarHBondContact O-N 2.96Å; E50-A54 WeakPolarHBondContact O-CB 3.19Å; E50-A54 PolarHBondContact O-N 3.42Å
51F90.4Very high89Confident96 Ų9670.6 Ų70.642%0.42139%0.388SS..Hα-helixtrans-59.6-44.7174.1179-101.6000112.4I46 D47 K49 L53 A54 I55I46-F51 HydrophobicContact CG2-CB 3.93Å; D47-F51 VanDerWaalsContact O-CB 3.31Å; D47-F51 WeakPolarHBondContact O-CB 3.41Å; D47-F51 PolarHBondContact O-N 3.3Å; K49-F51 VanDerWaalsContact C-N 3.35Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-L53 PolarHBondContact O-N 3.17Å; F51-A54 WeakPolarHBondContact O-CB 3.5Å; F51-A54 PolarHBondContact O-N 2.82Å; F51-I55 HydrophobicContact CD1-CG1 4.39Å; F51-I55 HydrophobicContact CE1-CG1 3.94Å; F51-I55 HydrophobicContact CE2-CD1 4.19Å; F51-I55 HydrophobicContact CE2-CG1 4.07Å; F51-I55 HydrophobicContact CZ-CD1 4.02Å; F51-I55 HydrophobicContact CZ-CG1 3.76Å; F51-I55 WeakPolarHBondContact O-CG1 3.4Å; F51-I55 PolarHBondContact O-N 3.43Å
52L90.1Very high88.7Confident88 Ų8869.4 Ų69.446%0.46138%0.381SS..Hα-helixtrans-63.2-40.6177-75.1178.8000112.3F48 K49 E50 I55 N56F48-L52 HydrophobicContact CD1-CD1 3.99Å; F48-L52 HydrophobicContact CE1-CD1 3.43Å; F48-L52 VanDerWaalsContact CE1-CD1 3.43Å; F48-L52 HydrophobicContact CE1-CG 4.13Å; F48-L52 HydrophobicContact CE2-CD1 4.42Å; F48-L52 HydrophobicContact CE2-CD2 4.43Å; F48-L52 HydrophobicContact CE2-CG 4.28Å; F48-L52 HydrophobicContact CZ-CD1 3.68Å; F48-L52 HydrophobicContact CZ-CD2 4.18Å; F48-L52 HydrophobicContact CZ-CG 4Å; F48-L52 WeakPolarHBondContact O-CG 3.14Å; F48-L52 PolarHBondContact O-N 3.27Å; K49-L52 PolarHBondContact O-N 3.39Å; E50-L52 PolarHBondContact O-N 3.44Å; L52-I55 PolarHBondContact O-N 3.04Å; L52-N56 WeakPolarHBondContact O-CB 3.28Å; L52-N56 PolarHBondContact O-N 3.09Å
53L89.1Confident88.4Confident86 Ų8666.6 Ų66.645%0.4537%0.37SS..Hα-helixtrans-63.4-44.7175.5-69.8171.7000111.3K49 E50 F51 I55 N56 I57K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.19Å; E50-L53 PolarHBondContact O-N 2.96Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-L53 PolarHBondContact O-N 3.17Å; L53-I55 PolarHBondContact O-N 3.25Å; L53-N56 PolarHBondContact O-N 3.38Å; L53-I57 WeakPolarHBondContact O-CG1 3.29Å; L53-I57 PolarHBondContact O-N 3.17Å
54A88.6Confident88.1Confident5 Ų567.6 Ų67.64%0.04137%0.368CS..Hα-helixtrans-56.8-47.7176.400000111.8F38 E50 F51 T58F38-A54 HydrophobicContact CB-CB 4.44Å; F38-A54 HydrophobicContact CD1-CB 3.41Å; F38-A54 VanDerWaalsContact CD1-CB 3.41Å; F38-A54 HydrophobicContact CD2-CB 3.8Å; F38-A54 HydrophobicContact CE1-CB 3.41Å; F38-A54 VanDerWaalsContact CE1-CB 3.41Å; F38-A54 HydrophobicContact CE2-CB 3.78Å; F38-A54 HydrophobicContact CG-CB 3.63Å; F38-A54 HydrophobicContact CZ-CB 3.6Å; E50-A54 WeakPolarHBondContact O-CB 3.19Å; E50-A54 PolarHBondContact O-N 3.42Å; F51-A54 WeakPolarHBondContact O-CB 3.5Å; F51-A54 PolarHBondContact O-N 2.82Å; A54-T58 WeakPolarHBondContact O-CB 3.22Å; A54-T58 WeakPolarHBondContact O-CG2 3.37Å; A54-T58 PolarHBondContact O-N 3.22Å; A54-T58 PolarHBondContact O-OG1 2.86Å
55I87.6Confident87.9Confident76 Ų7670 Ų7039%0.3937%0.369SS..Hα-helixtrans-65.1-42.6177.7-66.4-61.2000111.3F51 L52 L53 I57 S59F51-I55 HydrophobicContact CD1-CG1 4.39Å; F51-I55 HydrophobicContact CE1-CG1 3.94Å; F51-I55 HydrophobicContact CE2-CD1 4.19Å; F51-I55 HydrophobicContact CE2-CG1 4.07Å; F51-I55 HydrophobicContact CZ-CD1 4.02Å; F51-I55 HydrophobicContact CZ-CG1 3.76Å; F51-I55 WeakPolarHBondContact O-CG1 3.4Å; F51-I55 PolarHBondContact O-N 3.43Å; L52-I55 PolarHBondContact O-N 3.04Å; L53-I55 PolarHBondContact O-N 3.25Å; I55-I57 VanDerWaalsContact C-N 3.35Å; I55-I57 PolarHBondContact O-N 3.32Å; I55-S59 WeakPolarHBondContact O-CB 3.45Å; I55-S59 PolarHBondContact O-N 2.73Å; I55-S59 PolarHBondContact O-OG 3.46Å
56N88Confident87.7Confident93 Ų9368.8 Ų68.850%0.49737%0.367SS..Iπ-helixtrans-57.4-48.9178.8-175.568.9000111.4L52 L53 G60 G61L52-N56 WeakPolarHBondContact O-CB 3.28Å; L52-N56 PolarHBondContact O-N 3.09Å; L53-N56 PolarHBondContact O-N 3.38Å; N56-G60 CarbonylContact O-C 3.32Å; N56-G60 WeakPolarHBondContact O-CA 3.34Å; N56-G60 PolarHBondContact O-N 3.41Å; N56-G61 PolarHBondContact O-N 3.14Å
57I85Confident87.6Confident42 Ų4269.2 Ų69.222%0.21537%0.369CS..Iπ-helixtrans-66.4-52.5-179.5-65.8166.8000110.8L53 I55 G61 W69L53-I57 WeakPolarHBondContact O-CG1 3.29Å; L53-I57 PolarHBondContact O-N 3.17Å; I55-I57 VanDerWaalsContact C-N 3.35Å; I55-I57 PolarHBondContact O-N 3.32Å; I57-G61 PolarHBondContact O-N 3.27Å; I57-W69 HydrophobicContact CG2-CB 3.58Å; I57-W69 HydrophobicContact CG2-CD2 4.39Å; I57-W69 HydrophobicContact CG2-CG 3.82Å
58T82.6Confident87.5Confident51 Ų5169.2 Ų69.231%0.31337%0.367SS..Iπ-helixtrans-73.8-34.6-171.1560000113.4F38 A54 W69F38-T58 HydrophobicContact CE1-CG2 4.4Å; F38-T58 HydrophobicContact CZ-CG2 3.91Å; A54-T58 WeakPolarHBondContact O-CB 3.22Å; A54-T58 WeakPolarHBondContact O-CG2 3.37Å; A54-T58 PolarHBondContact O-N 3.22Å; A54-T58 PolarHBondContact O-OG1 2.86Å; T58-W69 HydrophobicContact CG2-CH2 4.13Å; T58-W69 HydrophobicContact CG2-CZ2 4.22Å; T58-W69 HydrophobicContact CG2-CZ3 4.35Å
59S82.2Confident87.6Confident86 Ų8664.7 Ų64.760%0.60135%0.346SS*.Iπ-helixtrans-100.8-31-174.8-54.70000113.8I55I55-S59 WeakPolarHBondContact O-CB 3.45Å; I55-S59 PolarHBondContact O-N 2.73Å; I55-S59 PolarHBondContact O-OG 3.46Å
60G80.6Confident87.6Confident59 Ų5958.7 Ų58.761%0.60832%0.324SS*.Iπ-helixtrans-124.3-8.4-170.800000115.9N56N56-G60 CarbonylContact O-C 3.32Å; N56-G60 WeakPolarHBondContact O-CA 3.34Å; N56-G60 PolarHBondContact O-N 3.41Å
61G78.8Confident87.6Confident9 Ų958.4 Ų58.49%0.09332%0.323CS..  trans-67150.1-177.300000112.8N56 I57 E65 K66N56-G61 PolarHBondContact O-N 3.14Å; I57-G61 PolarHBondContact O-N 3.27Å; G61-E65 WeakPolarHBondContact CA-OE2 3.27Å; G61-K66 VanDerWaalsContact O-CE 3.22Å; G61-K66 WeakPolarHBondContact O-CE 3.45Å
62N86.8Confident87.8Confident73 Ų7356.6 Ų56.639%0.3932%0.316SS..  trans-66.3166168.567.140.7000110.6E64 E65 K66N62-E64 PolarHBondContact O-N 2.95Å; N62-E64 WeakPolarHBondContact OD1-CB 3.3Å; N62-E64 PolarHBondContact OD1-N 3.43Å; N62-E64 VanDerWaalsContact OD1-N 3.13Å; N62-E64 PolarHBondContact OD1-OE2 3.44Å; N62-E65 PolarHBondContact N-OE2 2.83Å; N62-E65 PolarHBondContact ND2-OE2 3.38Å; N62-E65 PolarHBondContact O-N 2.88Å; N62-E65 WeakPolarHBondContact OD1-CB 3.49Å; N62-E65 WeakPolarHBondContact OD1-CG 3.4Å; N62-E65 PolarHBondContact OD1-N 3.03Å; N62-K66 WeakPolarHBondContact O-CG 3.46Å; N62-K66 PolarHBondContact O-N 2.81Å; N62-K66 VanDerWaalsContact O-N 3.12Å
63P85.3Confident88Confident68 Ų6853 Ų5344%0.44230%0.297SS..Hα-helixtrans-53.2-40179.7-28.437.3000113.7K66 L67P63-K66 PolarHBondContact O-N 3Å; P63-L67 WeakPolarHBondContact O-CG 3.48Å; P63-L67 PolarHBondContact O-N 3.24Å
64E88Confident88.3Confident84 Ų8449.4 Ų49.439%0.39328%0.278SS..Hα-helixtrans-65.9-43.4-178.9-6373.5-16600111.9N62 K66 L67 E68 M134 M138N62-E64 PolarHBondContact O-N 2.95Å; N62-E64 WeakPolarHBondContact OD1-CB 3.3Å; N62-E64 PolarHBondContact OD1-N 3.43Å; N62-E64 VanDerWaalsContact OD1-N 3.13Å; N62-E64 PolarHBondContact OD1-OE2 3.44Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-K66 PolarHBondContact O-N 3.45Å; E64-L67 PolarHBondContact O-N 2.68Å; E64-E68 WeakPolarHBondContact O-CB 3.49Å; E64-E68 PolarHBondContact O-N 2.93Å; E64-M134 HydrophobicContact CB-CE 4.12Å; E64-M134 HydrophobicContact CG-CE 4.39Å; E64-M138 WeakPolarHBondContact OE1-CE 3.15Å
65E89.1Confident88.7Confident86 Ų8649.7 Ų49.740%0.40228%0.278SS..Hα-helixtrans-63.2-37.1175.4-72.9172.3142.800111.7G61 N62 W69G61-E65 WeakPolarHBondContact CA-OE2 3.27Å; N62-E65 PolarHBondContact N-OE2 2.83Å; N62-E65 PolarHBondContact ND2-OE2 3.38Å; N62-E65 PolarHBondContact O-N 2.88Å; N62-E65 WeakPolarHBondContact OD1-CB 3.49Å; N62-E65 WeakPolarHBondContact OD1-CG 3.4Å; N62-E65 PolarHBondContact OD1-N 3.03Å; E65-W69 PolarHBondContact O-N 3.31Å; E65-W69 VanDerWaalsContact O-N 3.09Å
66K88.2Confident89.1Confident88 Ų8847.9 Ų47.938%0.38327%0.269SS..Hα-helixtrans-69.4-39.3175.9-71177.8176.61790111.9G61 N62 P63 E64 W69 A70G61-K66 VanDerWaalsContact O-CE 3.22Å; G61-K66 WeakPolarHBondContact O-CE 3.45Å; N62-K66 WeakPolarHBondContact O-CG 3.46Å; N62-K66 PolarHBondContact O-N 2.81Å; N62-K66 VanDerWaalsContact O-N 3.12Å; P63-K66 PolarHBondContact O-N 3Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-K66 PolarHBondContact O-N 3.45Å; K66-W69 PolarHBondContact O-N 2.91Å; K66-A70 PolarHBondContact O-N 2.97Å
67L90Very high89.5Confident14 Ų1448.1 Ų48.17%0.07327%0.27CS..Hα-helixtrans-69-40.8175.6-72.5176.6000111.8P63 E64 W69 A70 C71 M134 C137 M138P63-L67 WeakPolarHBondContact O-CG 3.48Å; P63-L67 PolarHBondContact O-N 3.24Å; E64-L67 PolarHBondContact O-N 2.68Å; L67-W69 VanDerWaalsContact C-N 3.28Å; L67-W69 PolarHBondContact O-N 3.29Å; L67-A70 CarbonylContact O-C 3.33Å; L67-A70 WeakPolarHBondContact O-CA 3.49Å; L67-A70 WeakPolarHBondContact O-CB 3.5Å; L67-A70 PolarHBondContact O-N 3.04Å; L67-C71 PolarHBondContact O-N 3.05Å; L67-C71 PolarHBondContact O-SG 2.92Å; L67-M134 HydrophobicContact CB-CG 4.37Å; L67-C137 HydrophobicContact CD1-CB 4.01Å; L67-C137 HydrophobicContact CD2-CB 3.53Å; L67-C137 HydrophobicContact CG-CB 4.44Å; L67-M138 HydrophobicContact CD1-CG 3.5Å; L67-M138 HydrophobicContact CD1-SD 3.49Å; L67-M138 WeakPolarHBondContact CD1-SD 3.44Å
68E91.4Very high89.9Confident52 Ų5248.7 Ų48.724%0.24329%0.287CS..Hα-helixtrans-60.9-39.5174.7-177.963.1-154.400111.3E64 C71 Q72 R130E64-E68 WeakPolarHBondContact O-CB 3.49Å; E64-E68 PolarHBondContact O-N 2.93Å; E68-C71 WeakPolarHBondContact O-CB 3.36Å; E68-C71 PolarHBondContact O-N 3.04Å; E68-Q72 WeakPolarHBondContact O-CG 3.42Å; E68-Q72 PolarHBondContact O-N 3Å; E68-R130 IonicContact OE1-CZ 3.78Å; E68-R130 IonicContact OE1-NE 2.94Å; E68-R130 IonicContact OE1-NH1 3.76Å; E68-R130 PolarHBondContact OE1-NH1 3.23Å
69W92.4Very high90.6Very high46 Ų4650 Ų5017%0.17429%0.292CS..Hα-helixtrans-67.4-37.6172.4174.270.9000112.7V34 T37 F38 I57 T58 E65 K66 L67 Q72 M73V34-W69 HydrophobicContact CG1-CZ2 4.41Å; T37-W69 PolarHBondContact OG1-NE1 3.46Å; F38-W69 AromaticContact CE1-CE2 3.79Å; F38-W69 AromaticContact CE1-CZ2 3.96Å; F38-W69 HydrophobicContact CE1-CZ2 3.96Å; F38-W69 AromaticContact CE1-NE1 3.35Å; F38-W69 VanDerWaalsContact CE1-NE1 3.35Å; F38-W69 AromaticContact CZ-CZ2 3.69Å; F38-W69 HydrophobicContact CZ-CZ2 3.69Å; I57-W69 HydrophobicContact CG2-CB 3.58Å; I57-W69 HydrophobicContact CG2-CD2 4.39Å; I57-W69 HydrophobicContact CG2-CG 3.82Å; T58-W69 HydrophobicContact CG2-CH2 4.13Å; T58-W69 HydrophobicContact CG2-CZ2 4.22Å; T58-W69 HydrophobicContact CG2-CZ3 4.35Å; E65-W69 PolarHBondContact O-N 3.31Å; E65-W69 VanDerWaalsContact O-N 3.09Å; K66-W69 PolarHBondContact O-N 2.91Å; L67-W69 VanDerWaalsContact C-N 3.28Å; L67-W69 PolarHBondContact O-N 3.29Å; W69-Q72 WeakPolarHBondContact O-CB 3.31Å; W69-Q72 PolarHBondContact O-N 3.11Å; W69-M73 HydrophobicContact CD2-CE 4.47Å; W69-M73 HydrophobicContact CE3-CE 4.27Å; W69-M73 HydrophobicContact CH2-CE 3.1Å; W69-M73 HydrophobicContact CZ2-CE 3.3Å; W69-M73 HydrophobicContact CZ3-CE 3.61Å; W69-M73 PolarHBondContact O-N 2.94Å
70A92.4Very high91.2Very high21 Ų2146.9 Ų46.917%0.17427%0.273CS..Hα-helixtrans-61.5-43.117300000111.2K66 L67 Q72 M73 Y74 F133K66-A70 PolarHBondContact O-N 2.97Å; L67-A70 CarbonylContact O-C 3.33Å; L67-A70 WeakPolarHBondContact O-CA 3.49Å; L67-A70 WeakPolarHBondContact O-CB 3.5Å; L67-A70 PolarHBondContact O-N 3.04Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 3.27Å; A70-M73 WeakPolarHBondContact O-CA 3.46Å; A70-M73 VanDerWaalsContact O-CB 3.26Å; A70-M73 WeakPolarHBondContact O-CB 3.27Å; A70-M73 PolarHBondContact O-N 3.12Å; A70-Y74 VanDerWaalsContact O-CD2 3.32Å; A70-Y74 WeakPolarHBondContact O-CD2 3.24Å; A70-Y74 PolarHBondContact O-N 3.01Å; A70-F133 HydrophobicContact CB-CE1 4.11Å; A70-F133 HydrophobicContact CB-CZ 4.32Å
71C93.5Very high92Very high3 Ų345.8 Ų45.82%0.0226%0.255CS..Hα-helixtrans-53-47.5172.4-65.10000111.1L67 E68 M73 Y74 D75 R130 F133L67-C71 PolarHBondContact O-N 3.05Å; L67-C71 PolarHBondContact O-SG 2.92Å; E68-C71 WeakPolarHBondContact O-CB 3.36Å; E68-C71 PolarHBondContact O-N 3.04Å; C71-M73 PolarHBondContact O-N 3.2Å; C71-Y74 PolarHBondContact O-N 3.4Å; C71-Y74 VanDerWaalsContact O-N 3.14Å; C71-D75 VanDerWaalsContact O-CB 3.31Å; C71-D75 WeakPolarHBondContact O-CB 3.45Å; C71-D75 PolarHBondContact O-N 3.34Å; C71-R130 HydrophobicContact CB-CG 4.49Å; C71-F133 WeakPolarHBondContact SG-CD1 3.47Å
72Q93.7Very high92.9Very high58 Ų5845.5 Ų45.527%0.27125%0.251SS..Hα-helixtrans-65-23.3177.3-66.7170.824.100113.7T37 E68 W69 A70T37-Q72 HydrophobicContact CG2-CB 4.4Å; T37-Q72 WeakPolarHBondContact CG2-O 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.42Å; E68-Q72 PolarHBondContact O-N 3Å; W69-Q72 WeakPolarHBondContact O-CB 3.31Å; W69-Q72 PolarHBondContact O-N 3.11Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 3.27Å
73M94.5Very high93.4Very high13 Ų1345.8 Ų45.86%0.06425%0.25CS..Hα-helixtrans-73.6-43173.3-166.6-178.7-57.900110.8F30 H33 V34 R36 T37 W69 A70 C71 I90F30-M73 HydrophobicContact CE2-SD 3.87Å; F30-M73 HydrophobicContact CZ-SD 4.14Å; H33-M73 HydrophobicContact CB-CG 4.37Å; V34-M73 HydrophobicContact CG2-CE 3.96Å; V34-M73 HydrophobicContact CG2-SD 4.38Å; R36-M73 PolarHBondContact NH2-O 3.4Å; T37-M73 HydrophobicContact CG2-CB 4.21Å; W69-M73 HydrophobicContact CD2-CE 4.47Å; W69-M73 HydrophobicContact CE3-CE 4.27Å; W69-M73 HydrophobicContact CH2-CE 3.1Å; W69-M73 HydrophobicContact CZ2-CE 3.3Å; W69-M73 HydrophobicContact CZ3-CE 3.61Å; W69-M73 PolarHBondContact O-N 2.94Å; A70-M73 WeakPolarHBondContact O-CA 3.46Å; A70-M73 VanDerWaalsContact O-CB 3.26Å; A70-M73 WeakPolarHBondContact O-CB 3.27Å; A70-M73 PolarHBondContact O-N 3.12Å; C71-M73 PolarHBondContact O-N 3.2Å; M73-I90 WeakPolarHBondContact O-CD1 3.34Å
74Y95.7Very high93.9Very high11 Ų1145.7 Ų45.74%0.04324%0.241CC..Hα-helixtrans-75.8-38.8-179.6-79.5-81.4000114A70 C71 I76 I82 E86 M87 I90 F133 L147A70-Y74 VanDerWaalsContact O-CD2 3.32Å; A70-Y74 WeakPolarHBondContact O-CD2 3.24Å; A70-Y74 PolarHBondContact O-N 3.01Å; C71-Y74 PolarHBondContact O-N 3.4Å; C71-Y74 VanDerWaalsContact O-N 3.14Å; Y74-I76 PolarHBondContact O-N 2.82Å; Y74-I82 HydrophobicContact CG-CD1 4.49Å; Y74-E86 WeakPolarHBondContact O-CB 3.4Å; Y74-M87 HydrophobicContact CD1-CG 4.4Å; Y74-M87 HydrophobicContact CE1-CG 4.25Å; Y74-I90 HydrophobicContact CD1-CB 3.74Å; Y74-I90 HydrophobicContact CD1-CG1 3.82Å; Y74-I90 HydrophobicContact CD1-CG2 3.95Å; Y74-I90 HydrophobicContact CE1-CB 3.59Å; Y74-I90 HydrophobicContact CE1-CG1 4.2Å; Y74-I90 HydrophobicContact CE1-CG2 3.5Å; Y74-I90 VanDerWaalsContact CE1-CG2 3.5Å; Y74-I90 HydrophobicContact CE2-CG2 4.34Å; Y74-I90 HydrophobicContact CG-CG1 4.35Å; Y74-F133 AromaticContact CD2-CE2 3.86Å; Y74-F133 HydrophobicContact CD2-CE2 3.86Å; Y74-F133 AromaticContact CD2-CZ 3.76Å; Y74-F133 HydrophobicContact CD2-CZ 3.76Å; Y74-F133 HydrophobicContact CE2-CE2 4.23Å; Y74-F133 HydrophobicContact CE2-CZ 4Å; Y74-F133 HydrophobicContact CG-CE2 4.29Å; Y74-L147 HydrophobicContact CE1-CD2 4.12Å; Y74-L147 HydrophobicContact CE2-CD2 3.94Å; Y74-L147 VanDerWaalsContact OH-CD2 3.27Å; Y74-L147 WeakPolarHBondContact OH-CD2 3.36Å; Y74-L147 PolarHBondContact OH-O 3.46Å
75D96.9Very high94.4Very high11 Ų1146.1 Ų46.16%0.05925%0.25CC..  trans-71.494173.3177.61.2000108.6C71 G78 N79 G80 I82C71-D75 VanDerWaalsContact O-CB 3.31Å; C71-D75 WeakPolarHBondContact O-CB 3.45Å; C71-D75 PolarHBondContact O-N 3.34Å; D75-G78 WeakPolarHBondContact OD1-CA 3.22Å; D75-G78 PolarHBondContact OD1-N 2.8Å; D75-N79 PolarHBondContact OD1-N 3.02Å; D75-G80 VanDerWaalsContact OD2-CA 3.24Å; D75-G80 WeakPolarHBondContact OD2-CA 3.38Å; D75-G80 PolarHBondContact OD2-N 2.88Å; D75-I82 HydrophobicContact CB-CG1 4.26Å
76I96.8Very high94.8Very high37 Ų3742.6 Ų42.619%0.1923%0.233CC..SBendtrans-77.5-40.1-167.7-79.2176000111.3R36 Y74 E86 E89 I90R36-I76 PolarHBondContact NH1-O 2.87Å; Y74-I76 PolarHBondContact O-N 2.82Å; I76-E86 WeakPolarHBondContact CA-OE1 3.48Å; I76-E86 HydrophobicContact CB-CB 4.3Å; I76-E86 HydrophobicContact CB-CG 3.99Å; I76-E86 WeakPolarHBondContact CB-OE1 3.38Å; I76-E86 HydrophobicContact CD1-CB 4.02Å; I76-E86 HydrophobicContact CD1-CG 4.37Å; I76-E86 HydrophobicContact CG1-CB 4.18Å; I76-E86 HydrophobicContact CG1-CG 4.41Å; I76-E86 PolarHBondContact N-OE1 3.35Å; I76-E89 HydrophobicContact CD1-CB 3.74Å; I76-E89 HydrophobicContact CD1-CG 3.77Å; I76-I90 HydrophobicContact CD1-CD1 4.06Å; I76-I90 HydrophobicContact CD1-CG1 4.36Å; I76-I90 HydrophobicContact CG1-CD1 4.18Å
77D95.4Very high95.1Very high98 Ų9838.4 Ų38.452%0.52422%0.215SC..SBendtrans-87.3-13.318075.71.8000113.4N79 E86D77-N79 VanDerWaalsContact CG-ND2 3.34Å; D77-N79 WeakPolarHBondContact OD1-CB 3.33Å; D77-N79 PolarHBondContact OD1-N 2.92Å; D77-N79 PolarHBondContact OD1-ND2 3.01Å; D77-N79 PolarHBondContact OD2-ND2 3.27Å; D77-E86 PolarHBondContact N-OE1 3.13Å; D77-E86 VanDerWaalsContact N-OE1 3.1Å
78G94.4Very high95.4Very high55 Ų5538.6 Ų38.657%0.56722%0.217SC*.  trans79.421.617800000113.6D75 G80D75-G78 WeakPolarHBondContact OD1-CA 3.22Å; D75-G78 PolarHBondContact OD1-N 2.8Å; G78-G80 VanDerWaalsContact C-N 3.26Å; G78-G80 PolarHBondContact O-N 3.46Å
79N95.7Very high95.6Very high77 Ų7740.6 Ų40.641%0.41223%0.226SC..SBendtrans-77.6-9-176.273.728000113.6D75 D77 T81D75-N79 PolarHBondContact OD1-N 3.02Å; D77-N79 VanDerWaalsContact CG-ND2 3.34Å; D77-N79 WeakPolarHBondContact OD1-CB 3.33Å; D77-N79 PolarHBondContact OD1-N 2.92Å; D77-N79 PolarHBondContact OD1-ND2 3.01Å; D77-N79 PolarHBondContact OD2-ND2 3.27Å; N79-T81 WeakPolarHBondContact OD1-CA 3.26Å; N79-T81 PolarHBondContact OD1-N 3.31Å; N79-T81 PolarHBondContact OD1-O 3.05Å; N79-T81 VanDerWaalsContact OD1-O 3.04Å; N79-T81 PolarHBondContact OD1-OG1 3.48Å
80G95.8Very high95.7Very high21 Ų2138.4 Ų38.422%0.21622%0.218CC..SBendtrans96.6-1.2178.900000114.8D75 G78D75-G80 VanDerWaalsContact OD2-CA 3.24Å; D75-G80 WeakPolarHBondContact OD2-CA 3.38Å; D75-G80 PolarHBondContact OD2-N 2.88Å; G78-G80 VanDerWaalsContact C-N 3.26Å; G78-G80 PolarHBondContact O-N 3.46Å
81T97.3Very high95.7Very high36 Ų3637.6 Ų37.622%0.22121%0.21CC..EExtended strand (participates in β ladder)trans-129.8157.4175.659.20000110.3N79 V127 L128N79-T81 WeakPolarHBondContact OD1-CA 3.26Å; N79-T81 PolarHBondContact OD1-N 3.31Å; N79-T81 PolarHBondContact OD1-O 3.05Å; N79-T81 VanDerWaalsContact OD1-O 3.04Å; N79-T81 PolarHBondContact OD1-OG1 3.48Å; T81-V127 HydrophobicContact CG2-CG2 4.21Å; T81-L128 CarbonylContact C-O 3.49Å; T81-L128 VanDerWaalsContact CA-O 3.27Å; T81-L128 WeakPolarHBondContact CA-O 3.42Å
82I97.6Very high95.6Very high3 Ų343 Ų432%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-108.3118177.6-57.4160.6000108.2Y74 D75 E86 M87 F117 L128 F133Y74-I82 HydrophobicContact CG-CD1 4.49Å; D75-I82 HydrophobicContact CB-CG1 4.26Å; I82-E86 WeakPolarHBondContact CA-OE2 3.32Å; I82-E86 HydrophobicContact CG2-CB 4.48Å; I82-M87 HydrophobicContact CG2-CB 4.34Å; I82-F117 WeakPolarHBondContact O-CE2 3.46Å; I82-F117 WeakPolarHBondContact O-CZ 3.26Å; I82-L128 HydrophobicContact CB-CB 4.21Å; I82-L128 PolarHBondContact N-O 3.02Å; I82-L128 PolarHBondContact O-N 2.93Å; I82-F133 HydrophobicContact CD1-CB 4.26Å; I82-F133 HydrophobicContact CD1-CD2 3.46Å; I82-F133 VanDerWaalsContact CD1-CD2 3.46Å; I82-F133 HydrophobicContact CD1-CE2 3.96Å; I82-F133 HydrophobicContact CD1-CG 3.96Å
83E97.5Very high95.6Very high80 Ų8040.3 Ų40.337%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-83.9155.6173.4-57.7-177.2167.700111.4T85 E86 M87 V127E83-T85 PolarHBondContact O-N 3.1Å; E83-T85 PolarHBondContact OE2-OG1 3Å; E83-E86 HydrophobicContact CB-CG 4.1Å; E83-E86 PolarHBondContact N-OE2 2.78Å; E83-E86 WeakPolarHBondContact O-CB 3.34Å; E83-E86 PolarHBondContact O-N 2.8Å; E83-M87 PolarHBondContact O-N 3.05Å; E83-V127 HydrophobicContact CG-CG1 4.34Å
84R96.1Very high95.4Very high66 Ų6640.3 Ų40.325%0.24922%0.218CC..Hα-helixtrans-53.9-42.4177.1-78.5179.216762.32.8112.4E86 M87 V88 E114 F117 D118 D121 G126R84-E86 VanDerWaalsContact C-N 3.29Å; R84-E86 PolarHBondContact O-N 3.33Å; R84-M87 PolarHBondContact O-N 3.43Å; R84-V88 VanDerWaalsContact O-CG2 3.26Å; R84-V88 WeakPolarHBondContact O-CG2 3.33Å; R84-V88 PolarHBondContact O-N 3.34Å; R84-E114 IonicContact CZ-OE1 3.57Å; R84-E114 IonicContact NE-OE1 2.78Å; R84-E114 PolarHBondContact NE-OE1 2.87Å; R84-E114 IonicContact NE-OE2 3.81Å; R84-E114 IonicContact NH2-OE1 2.83Å; R84-F117 HydrophobicContact CB-CD2 4.21Å; R84-F117 HydrophobicContact CB-CE2 4.19Å; R84-F117 HydrophobicContact CG-CB 4.36Å; R84-F117 HydrophobicContact CG-CD1 3.96Å; R84-F117 HydrophobicContact CG-CD2 3.46Å; R84-F117 VanDerWaalsContact CG-CD2 3.46Å; R84-F117 HydrophobicContact CG-CE1 4.09Å; R84-F117 HydrophobicContact CG-CE2 3.57Å; R84-F117 HydrophobicContact CG-CG 3.64Å; R84-F117 HydrophobicContact CG-CZ 3.85Å; R84-F117 VanDerWaalsContact N-CE2 3.31Å; R84-F117 VanDerWaalsContact NH2-CD1 3.35Å; R84-D118 IonicContact CZ-OD1 3.12Å; R84-D118 IonicContact NH2-OD1 2.66Å; R84-D118 PolarHBondContact NH2-OD1 2.83Å; R84-D121 IonicContact CZ-OD2 3.75Å; R84-D121 IonicContact NH1-OD2 3.21Å; R84-D121 PolarHBondContact NH1-OD2 2.99Å; R84-D121 IonicContact NH2-OD2 3.56Å; R84-G126 PolarHBondContact NH1-O 3.25Å
85T97.2Very high95Very high93 Ų9341.1 Ų41.157%0.57122%0.221SC*.Hα-helixtrans-58-41.1176.638.80000112.2E83 E89E83-T85 PolarHBondContact O-N 3.1Å; E83-T85 PolarHBondContact OE2-OG1 3Å; T85-E89 PolarHBondContact O-N 3.46Å; T85-E89 VanDerWaalsContact O-N 3.1Å
86E97.8Very high94.7Very high11 Ų1142.5 Ų42.55%0.05123%0.232CC..Hα-helixtrans-71.3-42.2179.5-58.1179.7120.400111.5Y74 I76 D77 I82 E83 R84 V88 E89 I90Y74-E86 WeakPolarHBondContact O-CB 3.4Å; I76-E86 WeakPolarHBondContact CA-OE1 3.48Å; I76-E86 HydrophobicContact CB-CB 4.3Å; I76-E86 HydrophobicContact CB-CG 3.99Å; I76-E86 WeakPolarHBondContact CB-OE1 3.38Å; I76-E86 HydrophobicContact CD1-CB 4.02Å; I76-E86 HydrophobicContact CD1-CG 4.37Å; I76-E86 HydrophobicContact CG1-CB 4.18Å; I76-E86 HydrophobicContact CG1-CG 4.41Å; I76-E86 PolarHBondContact N-OE1 3.35Å; D77-E86 PolarHBondContact N-OE1 3.13Å; D77-E86 VanDerWaalsContact N-OE1 3.1Å; I82-E86 WeakPolarHBondContact CA-OE2 3.32Å; I82-E86 HydrophobicContact CG2-CB 4.48Å; E83-E86 HydrophobicContact CB-CG 4.1Å; E83-E86 PolarHBondContact N-OE2 2.78Å; E83-E86 WeakPolarHBondContact O-CB 3.34Å; E83-E86 PolarHBondContact O-N 2.8Å; R84-E86 VanDerWaalsContact C-N 3.29Å; R84-E86 PolarHBondContact O-N 3.33Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 2.97Å; E86-E89 PolarHBondContact O-N 2.71Å; E86-E89 VanDerWaalsContact O-N 3.13Å; E86-I90 PolarHBondContact O-N 2.91Å; E86-I90 VanDerWaalsContact O-N 3.08Å
87M95.3Very high94.3Very high0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-58.1-46.7174.4-174.4176.9-69.900111.9Y74 I82 E83 R84 E89 I90 I91 A113 I116 F117 L128Y74-M87 HydrophobicContact CD1-CG 4.4Å; Y74-M87 HydrophobicContact CE1-CG 4.25Å; I82-M87 HydrophobicContact CG2-CB 4.34Å; E83-M87 PolarHBondContact O-N 3.05Å; R84-M87 PolarHBondContact O-N 3.43Å; M87-E89 VanDerWaalsContact C-N 3.29Å; M87-E89 PolarHBondContact O-N 3.42Å; M87-I90 PolarHBondContact O-N 3.02Å; M87-I91 HydrophobicContact CG-CD1 3.78Å; M87-I91 WeakPolarHBondContact O-CG1 3.08Å; M87-I91 PolarHBondContact O-N 3.39Å; M87-I91 HydrophobicContact SD-CD1 4.46Å; M87-A113 HydrophobicContact CG-CB 4.04Å; M87-A113 HydrophobicContact SD-CB 4.31Å; M87-I116 HydrophobicContact CE-CG2 3.92Å; M87-I116 HydrophobicContact SD-CB 3.9Å; M87-I116 HydrophobicContact SD-CG2 3.8Å; M87-F117 HydrophobicContact CB-CD2 4.4Å; M87-F117 HydrophobicContact CE-CB 4.4Å; M87-F117 HydrophobicContact CE-CD2 3.69Å; M87-F117 HydrophobicContact CE-CE2 4.38Å; M87-F117 HydrophobicContact CE-CG 4.37Å; M87-F117 HydrophobicContact SD-CB 4.05Å; M87-F117 HydrophobicContact SD-CD2 3.92Å; M87-F117 HydrophobicContact SD-CG 4.47Å; M87-L128 HydrophobicContact CE-CD1 3.46Å; M87-L128 VanDerWaalsContact CE-CD1 3.46Å
88V95.1Very high93.8Very high19 Ų1938.6 Ų38.612%0.11521%0.211CC..Hα-helixtrans-58.9-41.5175.7172.80000111.3R84 E86 I91 R92 E110 A113R84-V88 VanDerWaalsContact O-CG2 3.26Å; R84-V88 WeakPolarHBondContact O-CG2 3.33Å; R84-V88 PolarHBondContact O-N 3.34Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-V88 PolarHBondContact O-N 2.97Å; V88-I91 PolarHBondContact O-N 3.39Å; V88-R92 HydrophobicContact CG1-CG 4.22Å; V88-R92 WeakPolarHBondContact O-CB 3.46Å; V88-R92 VanDerWaalsContact O-CG 3.26Å; V88-R92 WeakPolarHBondContact O-CG 3.11Å; V88-R92 PolarHBondContact O-N 3.08Å; V88-E110 HydrophobicContact CG1-CG 4.08Å; V88-A113 HydrophobicContact CB-CB 4.23Å; V88-A113 HydrophobicContact CG2-CB 3.37Å
89E96.1Very high93.1Very high93 Ų9336.4 Ų36.444%0.43519%0.188SC..Hα-helixtrans-63-45.8-179.2-177.9164.2155.600112.1H33 I76 T85 E86 M87 R92 A93H33-E89 IonicContact CE1-OE1 2.71Å; H33-E89 PolarHBondContact CE1-OE1 3.45Å; H33-E89 IonicContact NE2-OE1 3.52Å; I76-E89 HydrophobicContact CD1-CB 3.74Å; I76-E89 HydrophobicContact CD1-CG 3.77Å; T85-E89 PolarHBondContact O-N 3.46Å; T85-E89 VanDerWaalsContact O-N 3.1Å; E86-E89 PolarHBondContact O-N 2.71Å; E86-E89 VanDerWaalsContact O-N 3.13Å; M87-E89 VanDerWaalsContact C-N 3.29Å; M87-E89 PolarHBondContact O-N 3.42Å; E89-R92 PolarHBondContact O-N 3.1Å; E89-A93 WeakPolarHBondContact O-CB 3.44Å; E89-A93 PolarHBondContact O-N 3.01Å
90I94.8Very high91.5Very high1 Ų138.9 Ų38.91%0.00521%0.206CC..Hα-helixtrans-64.9-45.2176.4-60.5-51.5000111.4H33 M73 Y74 I76 E86 M87 R92 A93 I94H33-I90 HydrophobicContact CB-CD1 3.84Å; H33-I90 VanDerWaalsContact CD2-CD1 3.5Å; H33-I90 WeakPolarHBondContact CD2-CD1 3.39Å; M73-I90 WeakPolarHBondContact O-CD1 3.34Å; Y74-I90 HydrophobicContact CD1-CB 3.74Å; Y74-I90 HydrophobicContact CD1-CG1 3.82Å; Y74-I90 HydrophobicContact CD1-CG2 3.95Å; Y74-I90 HydrophobicContact CE1-CB 3.59Å; Y74-I90 HydrophobicContact CE1-CG1 4.2Å; Y74-I90 HydrophobicContact CE1-CG2 3.5Å; Y74-I90 VanDerWaalsContact CE1-CG2 3.5Å; Y74-I90 HydrophobicContact CE2-CG2 4.34Å; Y74-I90 HydrophobicContact CG-CG1 4.35Å; I76-I90 HydrophobicContact CD1-CD1 4.06Å; I76-I90 HydrophobicContact CD1-CG1 4.36Å; I76-I90 HydrophobicContact CG1-CD1 4.18Å; E86-I90 PolarHBondContact O-N 2.91Å; E86-I90 VanDerWaalsContact O-N 3.08Å; M87-I90 PolarHBondContact O-N 3.02Å; I90-R92 VanDerWaalsContact C-N 3.35Å; I90-R92 PolarHBondContact O-N 3.06Å; I90-A93 WeakPolarHBondContact O-CA 3.07Å; I90-A93 WeakPolarHBondContact O-CB 3.35Å; I90-A93 PolarHBondContact O-N 2.92Å; I90-I94 HydrophobicContact CG2-CD1 4.01Å; I90-I94 HydrophobicContact CG2-CG1 4.48Å; I90-I94 WeakPolarHBondContact O-CG1 3.37Å; I90-I94 PolarHBondContact O-N 3.43Å
91I92.5Very high89.7Confident3 Ų345.2 Ų45.22%0.01524%0.235CC..Hα-helixtrans-63.3-41.8179.7-66.9171.8000110.9M87 V88 A93 I94 Y95 P109 R112 A113 I116M87-I91 HydrophobicContact CG-CD1 3.78Å; M87-I91 WeakPolarHBondContact O-CG1 3.08Å; M87-I91 PolarHBondContact O-N 3.39Å; M87-I91 HydrophobicContact SD-CD1 4.46Å; V88-I91 PolarHBondContact O-N 3.39Å; I91-A93 VanDerWaalsContact C-N 3.28Å; I91-A93 PolarHBondContact O-N 2.89Å; I91-I94 PolarHBondContact O-N 3.35Å; I91-Y95 HydrophobicContact CG2-CD1 3.9Å; I91-Y95 HydrophobicContact CG2-CE1 3.61Å; I91-Y95 VanDerWaalsContact O-CD1 3.26Å; I91-Y95 WeakPolarHBondContact O-CD1 3.38Å; I91-Y95 PolarHBondContact O-N 2.71Å; I91-P109 HydrophobicContact CG2-CB 3.93Å; I91-R112 HydrophobicContact CD1-CG 4.4Å; I91-R112 HydrophobicContact CG2-CB 4.4Å; I91-R112 HydrophobicContact CG2-CG 4.36Å; I91-A113 HydrophobicContact CD1-CB 3.74Å; I91-I116 HydrophobicContact CD1-CD1 3.93Å
92R92.4Very high87.5Confident117 Ų11749 Ų4944%0.44225%0.254SS..Hα-helixtrans-59.6-39.5172.2-77.1176.1177.9150.2-1.5112V88 E89 I90 S96 P109 E110V88-R92 HydrophobicContact CG1-CG 4.22Å; V88-R92 WeakPolarHBondContact O-CB 3.46Å; V88-R92 VanDerWaalsContact O-CG 3.26Å; V88-R92 WeakPolarHBondContact O-CG 3.11Å; V88-R92 PolarHBondContact O-N 3.08Å; E89-R92 PolarHBondContact O-N 3.1Å; I90-R92 VanDerWaalsContact C-N 3.35Å; I90-R92 PolarHBondContact O-N 3.06Å; R92-S96 VanDerWaalsContact O-CB 3.22Å; R92-S96 WeakPolarHBondContact O-CB 3.46Å; R92-S96 PolarHBondContact O-N 3.44Å; R92-P109 HydrophobicContact CB-CB 4.38Å; R92-P109 HydrophobicContact CG-CB 3.49Å; R92-P109 VanDerWaalsContact CG-CB 3.49Å; R92-P109 HydrophobicContact CG-CG 3.93Å; R92-E110 IonicContact CZ-OE1 3.93Å; R92-E110 IonicContact NE-OE1 3.29Å; R92-E110 PolarHBondContact NE-OE1 2.93Å; R92-E110 IonicContact NH2-OE1 3.54Å; R92-E110 PolarHBondContact NH2-OE1 3.02Å
93A93.1Very high85.3Confident1 Ų150.2 Ų50.21%0.00826%0.261CS..Hα-helixtrans-65.6-39.3177.500000111.9K29 F30 E89 I90 I91 M97K29-A93 HydrophobicContact CB-CB 3.78Å; F30-A93 HydrophobicContact CB-CB 4.23Å; E89-A93 WeakPolarHBondContact O-CB 3.44Å; E89-A93 PolarHBondContact O-N 3.01Å; I90-A93 WeakPolarHBondContact O-CA 3.07Å; I90-A93 WeakPolarHBondContact O-CB 3.35Å; I90-A93 PolarHBondContact O-N 2.92Å; I91-A93 VanDerWaalsContact C-N 3.28Å; I91-A93 PolarHBondContact O-N 2.89Å; A93-M97 WeakPolarHBondContact O-CB 3.4Å; A93-M97 PolarHBondContact O-N 2.76Å
94I89.7Confident83.2Confident14 Ų1450.9 Ų50.97%0.07228%0.281CS..Hα-helixtrans-64.2-50.9174.6-65.8166.7000110.6F30 I90 I91 S96 M97 L98 A149F30-I94 HydrophobicContact CD2-CG1 3.7Å; F30-I94 HydrophobicContact CE2-CD1 4.37Å; F30-I94 HydrophobicContact CE2-CG1 3.72Å; I90-I94 HydrophobicContact CG2-CD1 4.01Å; I90-I94 HydrophobicContact CG2-CG1 4.48Å; I90-I94 WeakPolarHBondContact O-CG1 3.37Å; I90-I94 PolarHBondContact O-N 3.43Å; I91-I94 PolarHBondContact O-N 3.35Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-S96 PolarHBondContact O-N 2.94Å; I94-M97 WeakPolarHBondContact O-CB 3.32Å; I94-M97 PolarHBondContact O-N 3.21Å; I94-L98 HydrophobicContact CG2-CD1 3.92Å; I94-L98 HydrophobicContact CG2-CG 4.37Å; I94-L98 WeakPolarHBondContact O-CG 3.36Å; I94-L98 PolarHBondContact O-N 3.38Å; I94-A149 HydrophobicContact CG2-CB 3.58Å
95Y88.3Confident81.4Confident28 Ų2849 Ų4911%0.1128%0.277CS..Hα-helixtrans-59.9-42.5178.9-8244.4000111.4I91 M97 L98 G99 V105 I107 P109 A149I91-Y95 HydrophobicContact CG2-CD1 3.9Å; I91-Y95 HydrophobicContact CG2-CE1 3.61Å; I91-Y95 VanDerWaalsContact O-CD1 3.26Å; I91-Y95 WeakPolarHBondContact O-CD1 3.38Å; I91-Y95 PolarHBondContact O-N 2.71Å; Y95-M97 VanDerWaalsContact C-N 3.3Å; Y95-M97 PolarHBondContact O-N 3.38Å; Y95-L98 PolarHBondContact O-N 3.05Å; Y95-G99 PolarHBondContact O-N 2.91Å; Y95-G99 VanDerWaalsContact O-N 3.09Å; Y95-V105 HydrophobicContact CE2-CG1 4.28Å; Y95-V105 WeakPolarHBondContact OH-CG1 3.26Å; Y95-I107 WeakPolarHBondContact CE2-O 3.47Å; Y95-I107 PolarHBondContact OH-O 2.91Å; Y95-P109 HydrophobicContact CD2-CG 3.61Å; Y95-P109 HydrophobicContact CE2-CG 3.97Å; Y95-P109 HydrophobicContact CG-CG 4Å; Y95-A149 HydrophobicContact CE1-CB 4.43Å
96S89.7Confident80.2Confident39 Ų3952.7 Ų52.727%0.27329%0.293SS..Hα-helixtrans-58.6-42.3173.8176.70000111.7N26 R92 I94N26-S96 PolarHBondContact N-O 3Å; N26-S96 CarbonylContact O-C 3.57Å; N26-S96 PolarHBondContact O-OG 3.41Å; N26-S96 VanDerWaalsContact O-OG 3.1Å; R92-S96 VanDerWaalsContact O-CB 3.22Å; R92-S96 WeakPolarHBondContact O-CB 3.46Å; R92-S96 PolarHBondContact O-N 3.44Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-S96 PolarHBondContact O-N 2.94Å
97M89.1Confident79.5Confident15 Ų1555.1 Ų55.17%0.07431%0.305CS..Hα-helixtrans-68.2-39.3179.6-179.9178.973.500112.8F22 G25 N26 A27 F30 A93 I94 Y95 G99F22-M97 HydrophobicContact CB-CG 4.2Å; F22-M97 HydrophobicContact CD1-CG 4.03Å; F22-M97 HydrophobicContact CD2-CG 3.95Å; F22-M97 HydrophobicContact CD2-SD 3.94Å; F22-M97 HydrophobicContact CE1-CE 4.18Å; F22-M97 HydrophobicContact CE1-CG 4.4Å; F22-M97 HydrophobicContact CE1-SD 4.48Å; F22-M97 HydrophobicContact CE2-CE 4.26Å; F22-M97 HydrophobicContact CE2-CG 4.33Å; F22-M97 HydrophobicContact CE2-SD 3.81Å; F22-M97 HydrophobicContact CG-CG 3.79Å; F22-M97 HydrophobicContact CG-SD 4.35Å; F22-M97 HydrophobicContact CZ-CE 3.94Å; F22-M97 HydrophobicContact CZ-SD 4.1Å; G25-M97 WeakPolarHBondContact CA-O 3.5Å; N26-M97 WeakPolarHBondContact O-CA 3.27Å; N26-M97 PolarHBondContact O-N 3.4Å; A27-M97 HydrophobicContact CB-CG 3.83Å; A27-M97 HydrophobicContact CB-SD 4.25Å; F30-M97 HydrophobicContact CB-CB 4.21Å; F30-M97 HydrophobicContact CB-SD 3.91Å; F30-M97 HydrophobicContact CD1-CE 3.83Å; F30-M97 HydrophobicContact CD1-SD 3.3Å; F30-M97 WeakPolarHBondContact CD1-SD 3.11Å; F30-M97 HydrophobicContact CE1-CE 4Å; F30-M97 HydrophobicContact CE1-SD 3.96Å; F30-M97 HydrophobicContact CG-CE 4.09Å; F30-M97 HydrophobicContact CG-SD 3.71Å; F30-M97 HydrophobicContact CZ-CE 4.43Å; A93-M97 WeakPolarHBondContact O-CB 3.4Å; A93-M97 PolarHBondContact O-N 2.76Å; I94-M97 WeakPolarHBondContact O-CB 3.32Å; I94-M97 PolarHBondContact O-N 3.21Å; Y95-M97 VanDerWaalsContact C-N 3.3Å; Y95-M97 PolarHBondContact O-N 3.38Å; M97-G99 VanDerWaalsContact C-N 3.31Å
98L84.8Confident79.2Confident39 Ų3957.8 Ų57.820%0.20432%0.324CS..Hα-helixtrans-74.5-23.4-179.6-64.7176.4000112.8F22 I94 Y95 N102 T103 A149F22-L98 HydrophobicContact CE1-CD2 4.13Å; I94-L98 HydrophobicContact CG2-CD1 3.92Å; I94-L98 HydrophobicContact CG2-CG 4.37Å; I94-L98 WeakPolarHBondContact O-CG 3.36Å; I94-L98 PolarHBondContact O-N 3.38Å; Y95-L98 PolarHBondContact O-N 3.05Å; L98-N102 WeakPolarHBondContact O-CB 3.37Å; L98-N102 PolarHBondContact O-ND2 3.43Å; L98-T103 HydrophobicContact CD1-CG2 4.38Å; L98-A149 HydrophobicContact CD1-CB 3.84Å
99G79.6Confident79Confident8 Ų858 Ų588%0.08233%0.326CS..  trans81.6158.3-178.100000112.3Y95 M97 D101Y95-G99 PolarHBondContact O-N 2.91Å; Y95-G99 VanDerWaalsContact O-N 3.09Å; M97-G99 VanDerWaalsContact C-N 3.31Å; G99-D101 PolarHBondContact O-N 2.87Å
100T62.7Low78.9Confident130 Ų13056.9 Ų56.980%0.79832%0.321SS*.THydrogen-bonded Turntrans-69.6-15.7-174.149.30000114.2
101D57.1Low78.7Confident153 Ų15359.1 Ų59.182%0.81834%0.339SS*.THydrogen-bonded Turntrans-95-14.7-176.3-73.4-10.9000113.6G99G99-D101 PolarHBondContact O-N 2.87Å
102N51.8Low78.6Confident115 Ų11559.6 Ų59.662%0.61534%0.341SS*.THydrogen-bonded Turntrans-93.7-9.7179.4-77.9-40.2000114.1L98L98-N102 WeakPolarHBondContact O-CB 3.37Å; L98-N102 PolarHBondContact O-ND2 3.43Å
103T51.4Low78.6Confident29 Ų2954.1 Ų54.118%0.17832%0.321CS..  trans-109.898.2177.257.20000108.7L98 V105L98-T103 HydrophobicContact CD1-CG2 4.38Å; T103-V105 VanDerWaalsContact CB-CG2 3.46Å; T103-V105 HydrophobicContact CG2-CG2 3.91Å; T103-V105 PolarHBondContact O-N 2.87Å
104A52.2Low78.7Confident95 Ų9557.7 Ų57.779%0.78534%0.338SS*.  trans-65.736.4154.800000111D106A104-D106 PolarHBondContact O-N 2.79Å
105V59Low78.8Confident26 Ų2660 Ų6016%0.15835%0.348CS..  trans-98.999.3-170.4-175.30000106.4Y95 T103 I107Y95-V105 HydrophobicContact CE2-CG1 4.28Å; Y95-V105 WeakPolarHBondContact OH-CG1 3.26Å; T103-V105 VanDerWaalsContact CB-CG2 3.46Å; T103-V105 HydrophobicContact CG2-CG2 3.91Å; T103-V105 PolarHBondContact O-N 2.87Å; V105-I107 HydrophobicContact CG1-CB 4.17Å; V105-I107 PolarHBondContact O-N 2.93Å
106D71.5Confident79Confident171 Ų17158.7 Ų58.791%0.91434%0.343SS*.  trans-64.6-1.2177.1-74.8-31.4000113.5A104A104-D106 PolarHBondContact O-N 2.79Å
107I83.5Confident79.2Confident61 Ų6156.9 Ų56.931%0.31333%0.33SS..SBendtrans-110.2125-173.1-53-179.2000109.4Y95 V105 A111 R112Y95-I107 WeakPolarHBondContact CE2-O 3.47Å; Y95-I107 PolarHBondContact OH-O 2.91Å; V105-I107 HydrophobicContact CG1-CB 4.17Å; V105-I107 PolarHBondContact O-N 2.93Å; I107-A111 HydrophobicContact CG2-CB 3.48Å; I107-A111 VanDerWaalsContact CG2-CB 3.48Å; I107-R112 HydrophobicContact CG2-CB 4.18Å
108S89Confident79.4Confident56 Ų5660.9 Ų60.939%0.39235%0.352SS..  trans-63.9155.2176.987.90000111.4E110 A111 R112S108-E110 WeakPolarHBondContact CB-OE2 3.3Å; S108-E110 PolarHBondContact O-N 3.32Å; S108-E110 VanDerWaalsContact O-N 3.12Å; S108-E110 PolarHBondContact OG-N 3.08Å; S108-E110 PolarHBondContact OG-OE2 3.32Å; S108-A111 PolarHBondContact O-N 3.06Å; S108-A111 VanDerWaalsContact O-N 3.11Å; S108-A111 PolarHBondContact OG-N 3.2Å; S108-R112 PolarHBondContact O-N 2.83Å
109P89.9Confident79.8Confident23 Ų2363.1 Ų63.115%0.14936%0.36CS..Hα-helixtrans-50.4-36.9174.7-2935.3000113.7I91 R92 Y95 A113I91-P109 HydrophobicContact CG2-CB 3.93Å; R92-P109 HydrophobicContact CB-CB 4.38Å; R92-P109 HydrophobicContact CG-CB 3.49Å; R92-P109 VanDerWaalsContact CG-CB 3.49Å; R92-P109 HydrophobicContact CG-CG 3.93Å; Y95-P109 HydrophobicContact CD2-CG 3.61Å; Y95-P109 HydrophobicContact CE2-CG 3.97Å; Y95-P109 HydrophobicContact CG-CG 4Å; P109-A113 WeakPolarHBondContact O-CB 3.35Å; P109-A113 PolarHBondContact O-N 3.36Å
110E93.8Very high80.4Confident71 Ų7162.8 Ų62.833%0.33236%0.356SS..Hα-helixtrans-68.7-47.1179.3-5773.9-163.400111.6V88 R92 S108 R112 A113 E114V88-E110 HydrophobicContact CG1-CG 4.08Å; R92-E110 IonicContact CZ-OE1 3.93Å; R92-E110 IonicContact NE-OE1 3.29Å; R92-E110 PolarHBondContact NE-OE1 2.93Å; R92-E110 IonicContact NH2-OE1 3.54Å; R92-E110 PolarHBondContact NH2-OE1 3.02Å; S108-E110 WeakPolarHBondContact CB-OE2 3.3Å; S108-E110 PolarHBondContact O-N 3.32Å; S108-E110 VanDerWaalsContact O-N 3.12Å; S108-E110 PolarHBondContact OG-N 3.08Å; S108-E110 PolarHBondContact OG-OE2 3.32Å; E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 PolarHBondContact O-N 3.37Å; E110-A113 PolarHBondContact O-N 3.28Å; E110-E114 PolarHBondContact O-N 3.12Å
111A92.2Very high82Confident48 Ų4857.3 Ų57.340%0.39732%0.322SS..Hα-helixtrans-65.6-36.2177.800000111.4I107 S108 E115I107-A111 HydrophobicContact CG2-CB 3.48Å; I107-A111 VanDerWaalsContact CG2-CB 3.48Å; S108-A111 PolarHBondContact O-N 3.06Å; S108-A111 VanDerWaalsContact O-N 3.11Å; S108-A111 PolarHBondContact OG-N 3.2Å; A111-E115 WeakPolarHBondContact O-CB 3.47Å; A111-E115 PolarHBondContact O-N 3.41Å
112R90.3Very high83.6Confident12 Ų1255.9 Ų55.95%0.04531%0.31CS..Hα-helixtrans-66.5-42.2174.2-177.758.363.194.2-1.2111.7I91 I107 S108 E110 I116I91-R112 HydrophobicContact CD1-CG 4.4Å; I91-R112 HydrophobicContact CG2-CB 4.4Å; I91-R112 HydrophobicContact CG2-CG 4.36Å; I107-R112 HydrophobicContact CG2-CB 4.18Å; S108-R112 PolarHBondContact O-N 2.83Å; E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 PolarHBondContact O-N 3.37Å; R112-I116 HydrophobicContact CG-CD1 4.04Å; R112-I116 WeakPolarHBondContact O-CD1 3.26Å; R112-I116 VanDerWaalsContact O-CG1 3.3Å; R112-I116 WeakPolarHBondContact O-CG1 3.39Å; R112-I116 PolarHBondContact O-N 3.1Å; R112-I116 VanDerWaalsContact O-N 3.16Å
113A92.9Very high85.7Confident3 Ų354.6 Ų54.63%0.02530%0.304CS..Hα-helixtrans-61-48.1175.500000111.3M87 V88 I91 P109 E110 E115 I116 F117M87-A113 HydrophobicContact CG-CB 4.04Å; M87-A113 HydrophobicContact SD-CB 4.31Å; V88-A113 HydrophobicContact CB-CB 4.23Å; V88-A113 HydrophobicContact CG2-CB 3.37Å; I91-A113 HydrophobicContact CD1-CB 3.74Å; P109-A113 WeakPolarHBondContact O-CB 3.35Å; P109-A113 PolarHBondContact O-N 3.36Å; E110-A113 PolarHBondContact O-N 3.28Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 3Å; A113-I116 PolarHBondContact O-N 3.22Å; A113-F117 WeakPolarHBondContact O-CB 3.34Å; A113-F117 PolarHBondContact O-N 3.25Å
114E93.8Very high87.8Confident76 Ų7656.1 Ų56.136%0.35533%0.325SS..Hα-helixtrans-61.6-43.4-179.4-160.565.6-150.100111.5R84 E110 I116 F117 D118R84-E114 IonicContact CZ-OE1 3.57Å; R84-E114 IonicContact NE-OE1 2.78Å; R84-E114 PolarHBondContact NE-OE1 2.87Å; R84-E114 IonicContact NE-OE2 3.81Å; R84-E114 IonicContact NH2-OE1 2.83Å; E110-E114 PolarHBondContact O-N 3.12Å; E114-I116 VanDerWaalsContact C-N 3.33Å; E114-I116 PolarHBondContact O-N 3.21Å; E114-F117 PolarHBondContact O-N 3.04Å; E114-D118 WeakPolarHBondContact O-CB 3.44Å; E114-D118 PolarHBondContact O-N 3.4Å
115E91.9Very high89.9Confident62 Ų6255.9 Ų55.929%0.2931%0.31SS..Hα-helixtrans-59.4-42.8177.3-173.4-170.8170.100112.5A111 A113 K119 M146A111-E115 WeakPolarHBondContact O-CB 3.47Å; A111-E115 PolarHBondContact O-N 3.41Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-E115 PolarHBondContact O-N 3Å; E115-K119 HydrophobicContact CG-CD 4.49Å; E115-K119 WeakPolarHBondContact O-CD 3.5Å; E115-K119 VanDerWaalsContact O-CG 3.28Å; E115-K119 WeakPolarHBondContact O-CG 3.21Å; E115-K119 PolarHBondContact O-N 3.3Å; E115-K119 IonicContact OE1-NZ 2.72Å; E115-K119 PolarHBondContact OE1-NZ 2.98Å; E115-M146 WeakPolarHBondContact OE1-CE 3.39Å
116I92Very high91.7Very high0 Ų056 Ų560%032%0.318CS..Hα-helixtrans-68.8-45.3178.3-66.4166.1000109.9M87 I91 R112 A113 E114 K119 M120 L143 M146 L147M87-I116 HydrophobicContact CE-CG2 3.92Å; M87-I116 HydrophobicContact SD-CB 3.9Å; M87-I116 HydrophobicContact SD-CG2 3.8Å; I91-I116 HydrophobicContact CD1-CD1 3.93Å; R112-I116 HydrophobicContact CG-CD1 4.04Å; R112-I116 WeakPolarHBondContact O-CD1 3.26Å; R112-I116 VanDerWaalsContact O-CG1 3.3Å; R112-I116 WeakPolarHBondContact O-CG1 3.39Å; R112-I116 PolarHBondContact O-N 3.1Å; R112-I116 VanDerWaalsContact O-N 3.16Å; A113-I116 PolarHBondContact O-N 3.22Å; E114-I116 VanDerWaalsContact C-N 3.33Å; E114-I116 PolarHBondContact O-N 3.21Å; I116-K119 PolarHBondContact O-N 3.11Å; I116-M120 HydrophobicContact CG2-CE 4.04Å; I116-M120 HydrophobicContact CG2-SD 4.01Å; I116-M120 WeakPolarHBondContact O-CG 3.29Å; I116-M120 PolarHBondContact O-N 3.47Å; I116-L143 HydrophobicContact CG2-CD2 4.46Å; I116-M146 HydrophobicContact CD1-CB 3.91Å; I116-M146 HydrophobicContact CG1-CB 4.02Å; I116-M146 HydrophobicContact CG1-SD 4.49Å; I116-L147 HydrophobicContact CD1-CD2 4.16Å; I116-L147 HydrophobicContact CD1-CG 4.44Å; I116-L147 HydrophobicContact CG2-CD2 3.99Å; I116-L147 HydrophobicContact CG2-CG 4.42Å
117F94.7Very high92.9Very high1 Ų149.7 Ų49.70%0.00429%0.285CS..Hα-helixtrans-62.1-49.8-176.7-151.2-67.1000111.3I82 R84 M87 A113 E114 K119 M120 D121 G126 L128I82-F117 WeakPolarHBondContact O-CE2 3.46Å; I82-F117 WeakPolarHBondContact O-CZ 3.26Å; R84-F117 HydrophobicContact CB-CD2 4.21Å; R84-F117 HydrophobicContact CB-CE2 4.19Å; R84-F117 HydrophobicContact CG-CB 4.36Å; R84-F117 HydrophobicContact CG-CD1 3.96Å; R84-F117 HydrophobicContact CG-CD2 3.46Å; R84-F117 VanDerWaalsContact CG-CD2 3.46Å; R84-F117 HydrophobicContact CG-CE1 4.09Å; R84-F117 HydrophobicContact CG-CE2 3.57Å; R84-F117 HydrophobicContact CG-CG 3.64Å; R84-F117 HydrophobicContact CG-CZ 3.85Å; R84-F117 VanDerWaalsContact N-CE2 3.31Å; R84-F117 VanDerWaalsContact NH2-CD1 3.35Å; M87-F117 HydrophobicContact CB-CD2 4.4Å; M87-F117 HydrophobicContact CE-CB 4.4Å; M87-F117 HydrophobicContact CE-CD2 3.69Å; M87-F117 HydrophobicContact CE-CE2 4.38Å; M87-F117 HydrophobicContact CE-CG 4.37Å; M87-F117 HydrophobicContact SD-CB 4.05Å; M87-F117 HydrophobicContact SD-CD2 3.92Å; M87-F117 HydrophobicContact SD-CG 4.47Å; A113-F117 WeakPolarHBondContact O-CB 3.34Å; A113-F117 PolarHBondContact O-N 3.25Å; E114-F117 PolarHBondContact O-N 3.04Å; F117-K119 PolarHBondContact O-N 2.99Å; F117-M120 PolarHBondContact O-N 2.66Å; F117-D121 HydrophobicContact CD1-CB 3.67Å; F117-D121 HydrophobicContact CE1-CB 3.69Å; F117-D121 WeakPolarHBondContact CE1-OD2 3.41Å; F117-D121 VanDerWaalsContact O-CB 3.28Å; F117-D121 WeakPolarHBondContact O-CB 3.41Å; F117-D121 PolarHBondContact O-N 2.78Å; F117-G126 WeakPolarHBondContact CZ-O 3.42Å; F117-L128 HydrophobicContact CD1-CD2 4.08Å; F117-L128 HydrophobicContact CD1-CG 4.24Å; F117-L128 HydrophobicContact CD2-CD1 4.21Å; F117-L128 HydrophobicContact CD2-CG 4.25Å; F117-L128 HydrophobicContact CE1-CD2 3.77Å; F117-L128 HydrophobicContact CE1-CG 3.81Å; F117-L128 HydrophobicContact CE2-CD1 4.21Å; F117-L128 HydrophobicContact CE2-CG 3.86Å; F117-L128 HydrophobicContact CG-CD1 4.48Å; F117-L128 HydrophobicContact CG-CG 4.46Å; F117-L128 HydrophobicContact CZ-CD1 4.46Å; F117-L128 HydrophobicContact CZ-CD2 4.15Å; F117-L128 HydrophobicContact CZ-CG 3.65Å
118D93.1Very high93.5Very high99 Ų9946.8 Ų46.853%0.52927%0.27SS..Hα-helixtrans-63.5-24.6-178.9-75.7-8.7000113R84 E114R84-D118 IonicContact CZ-OD1 3.12Å; R84-D118 IonicContact NH2-OD1 2.66Å; R84-D118 PolarHBondContact NH2-OD1 2.83Å; E114-D118 WeakPolarHBondContact O-CB 3.44Å; E114-D118 PolarHBondContact O-N 3.4Å
119K92.5Very high93.9Very high86 Ų8646.2 Ų46.237%0.37426%0.264SS..Hα-helixtrans-80.2-28174.4-74.5174.6-175173.90113.1E115 I116 F117 L143E115-K119 HydrophobicContact CG-CD 4.49Å; E115-K119 WeakPolarHBondContact O-CD 3.5Å; E115-K119 VanDerWaalsContact O-CG 3.28Å; E115-K119 WeakPolarHBondContact O-CG 3.21Å; E115-K119 PolarHBondContact O-N 3.3Å; E115-K119 IonicContact OE1-NZ 2.72Å; E115-K119 PolarHBondContact OE1-NZ 2.98Å; I116-K119 PolarHBondContact O-N 3.11Å; F117-K119 PolarHBondContact O-N 2.99Å; K119-L143 HydrophobicContact CB-CD1 4.04Å; K119-L143 HydrophobicContact CB-CD2 3.88Å; K119-L143 HydrophobicContact CD-CD2 3.46Å; K119-L143 VanDerWaalsContact CD-CD2 3.46Å; K119-L143 HydrophobicContact CD-CG 4.26Å; K119-L143 HydrophobicContact CG-CD2 4.33Å
120M93.9Very high94.1Very high2 Ų250 Ų501%0.0128%0.275CS..Hα-helixtrans-96.7-30.1-176.5-68.5-172.7173.900113.5I116 F117 E122 L128 F133 L143 L147I116-M120 HydrophobicContact CG2-CE 4.04Å; I116-M120 HydrophobicContact CG2-SD 4.01Å; I116-M120 WeakPolarHBondContact O-CG 3.29Å; I116-M120 PolarHBondContact O-N 3.47Å; F117-M120 PolarHBondContact O-N 2.66Å; M120-E122 PolarHBondContact O-N 3.42Å; M120-L128 HydrophobicContact CB-CD1 3.76Å; M120-L128 HydrophobicContact CB-CD2 3.62Å; M120-L128 HydrophobicContact CB-CG 4.35Å; M120-L128 HydrophobicContact CG-CD1 4.46Å; M120-L128 HydrophobicContact SD-CD1 3.96Å; M120-F133 HydrophobicContact SD-CD2 4.09Å; M120-L143 HydrophobicContact CE-CB 3.92Å; M120-L143 HydrophobicContact CE-CD1 3.89Å; M120-L143 HydrophobicContact CE-CD2 4.44Å; M120-L143 HydrophobicContact CE-CG 4.32Å; M120-L143 HydrophobicContact CG-CD1 4.02Å; M120-L147 HydrophobicContact CE-CD1 4Å
121D96Very high94.1Very high15 Ų1554.3 Ų54.38%0.0830%0.296CS..  trans-77.270.6-178.6-174.21.2000110.4R84 F117 N123 G124 D125 G126 L128R84-D121 IonicContact CZ-OD2 3.75Å; R84-D121 IonicContact NH1-OD2 3.21Å; R84-D121 PolarHBondContact NH1-OD2 2.99Å; R84-D121 IonicContact NH2-OD2 3.56Å; F117-D121 HydrophobicContact CD1-CB 3.67Å; F117-D121 HydrophobicContact CE1-CB 3.69Å; F117-D121 WeakPolarHBondContact CE1-OD2 3.41Å; F117-D121 VanDerWaalsContact O-CB 3.28Å; F117-D121 WeakPolarHBondContact O-CB 3.41Å; F117-D121 PolarHBondContact O-N 2.78Å; D121-N123 PolarHBondContact O-N 3.34Å; D121-N123 PolarHBondContact OD1-OD1 3.43Å; D121-G124 PolarHBondContact O-N 3.2Å; D121-G124 WeakPolarHBondContact OD1-CA 3.31Å; D121-G124 PolarHBondContact OD1-N 3.37Å; D121-D125 PolarHBondContact OD1-N 3.09Å; D121-G126 WeakPolarHBondContact OD2-CA 3.32Å; D121-G126 PolarHBondContact OD2-N 2.75Å; D121-L128 HydrophobicContact CB-CD2 3.65Å; D121-L128 VanDerWaalsContact N-CD2 3.32Å
122E91.1Very high94.3Very high122 Ų12253.1 Ų53.157%0.5728%0.282SS*.SBendtrans-62.9-30.8-174.9-67.6-173.8174.700112.8M120 K135M120-E122 PolarHBondContact O-N 3.42Å; E122-K135 WeakPolarHBondContact OE1-CE 3.29Å; E122-K135 IonicContact OE1-NZ 2.68Å; E122-K135 PolarHBondContact OE1-NZ 3.14Å; E122-K135 IonicContact OE2-NZ 2.82Å; E122-K135 PolarHBondContact OE2-NZ 3.31Å
123N94.9Very high94.4Very high89 Ų8952.6 Ų52.648%0.47628%0.28SS..SBendtrans-90.8-17-175.97727.7000112.7D121 D125 E132D121-N123 PolarHBondContact O-N 3.34Å; D121-N123 PolarHBondContact OD1-OD1 3.43Å; N123-D125 PolarHBondContact ND2-OD2 3.1Å; N123-D125 WeakPolarHBondContact OD1-CB 3.35Å; N123-D125 PolarHBondContact OD1-N 2.96Å; N123-D125 PolarHBondContact OD1-OD1 3.31Å; N123-D125 PolarHBondContact OD1-OD2 3.45Å; N123-E132 VanDerWaalsContact CG-OE1 3.27Å; N123-E132 PolarHBondContact ND2-OE1 2.93Å
124G94.9Very high94.4Very high61 Ų6154.8 Ų54.863%0.62929%0.29SS*.  trans69.825.917800000114.3D121 G126D121-G124 PolarHBondContact O-N 3.2Å; D121-G124 WeakPolarHBondContact OD1-CA 3.31Å; D121-G124 PolarHBondContact OD1-N 3.37Å; G124-G126 VanDerWaalsContact C-N 3.3Å
125D96.8Very high94.3Very high89 Ų8954.8 Ų54.848%0.47629%0.289SS..SBendtrans-82.9-9.3-17973.313000113.1D121 N123 V127D121-D125 PolarHBondContact OD1-N 3.09Å; N123-D125 PolarHBondContact ND2-OD2 3.1Å; N123-D125 WeakPolarHBondContact OD1-CB 3.35Å; N123-D125 PolarHBondContact OD1-N 2.96Å; N123-D125 PolarHBondContact OD1-OD1 3.31Å; N123-D125 PolarHBondContact OD1-OD2 3.45Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.46Å; D125-V127 PolarHBondContact OD1-N 3.09Å
126G96.3Very high94.3Very high30 Ų3052.2 Ų52.231%0.30928%0.28SS..SBendtrans94.9-1.3175.600000114.7R84 F117 D121 G124R84-G126 PolarHBondContact NH1-O 3.25Å; F117-G126 WeakPolarHBondContact CZ-O 3.42Å; D121-G126 WeakPolarHBondContact OD2-CA 3.32Å; D121-G126 PolarHBondContact OD2-N 2.75Å; G124-G126 VanDerWaalsContact C-N 3.3Å
127V97.2Very high94.2Very high37 Ų3752.4 Ų52.422%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-127.8152.4177.3-63.20000110.4T81 E83 D125T81-V127 HydrophobicContact CG2-CG2 4.21Å; E83-V127 HydrophobicContact CG-CG1 4.34Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.46Å; D125-V127 PolarHBondContact OD1-N 3.09Å
128L97.2Very high93.9Very high0 Ų057.1 Ų57.10%030%0.304CS..EExtended strand (participates in β ladder)trans-101.9119.9168.7-57.1179.5000109.8T81 I82 M87 F117 M120 D121 F133T81-L128 CarbonylContact C-O 3.49Å; T81-L128 VanDerWaalsContact CA-O 3.27Å; T81-L128 WeakPolarHBondContact CA-O 3.42Å; I82-L128 HydrophobicContact CB-CB 4.21Å; I82-L128 PolarHBondContact N-O 3.02Å; I82-L128 PolarHBondContact O-N 2.93Å; M87-L128 HydrophobicContact CE-CD1 3.46Å; M87-L128 VanDerWaalsContact CE-CD1 3.46Å; F117-L128 HydrophobicContact CD1-CD2 4.08Å; F117-L128 HydrophobicContact CD1-CG 4.24Å; F117-L128 HydrophobicContact CD2-CD1 4.21Å; F117-L128 HydrophobicContact CD2-CG 4.25Å; F117-L128 HydrophobicContact CE1-CD2 3.77Å; F117-L128 HydrophobicContact CE1-CG 3.81Å; F117-L128 HydrophobicContact CE2-CD1 4.21Å; F117-L128 HydrophobicContact CE2-CG 3.86Å; F117-L128 HydrophobicContact CG-CD1 4.48Å; F117-L128 HydrophobicContact CG-CG 4.46Å; F117-L128 HydrophobicContact CZ-CD1 4.46Å; F117-L128 HydrophobicContact CZ-CD2 4.15Å; F117-L128 HydrophobicContact CZ-CG 3.65Å; M120-L128 HydrophobicContact CB-CD1 3.76Å; M120-L128 HydrophobicContact CB-CD2 3.62Å; M120-L128 HydrophobicContact CB-CG 4.35Å; M120-L128 HydrophobicContact CG-CD1 4.46Å; M120-L128 HydrophobicContact SD-CD1 3.96Å; D121-L128 HydrophobicContact CB-CD2 3.65Å; D121-L128 VanDerWaalsContact N-CD2 3.32Å; L128-F133 HydrophobicContact CD1-CD2 4.5Å
129T96.4Very high93.7Very high44 Ų4459.1 Ų59.127%0.2731%0.31SS..EExtended strand (participates in β ladder)trans-68.5161.2165.163.30000110.6E131 E132 F133T129-E131 PolarHBondContact O-N 2.87Å; T129-E132 WeakPolarHBondContact CB-OE2 3.42Å; T129-E132 WeakPolarHBondContact CG2-OE2 3.46Å; T129-E132 PolarHBondContact N-OE2 3.16Å; T129-E132 PolarHBondContact O-N 3.22Å; T129-E132 WeakPolarHBondContact OG1-CG 3.15Å; T129-E132 PolarHBondContact OG1-N 3.38Å; T129-E132 PolarHBondContact OG1-OE2 3.35Å; T129-F133 PolarHBondContact O-N 2.88Å
130R93.5Very high93.4Very high102 Ų10257.5 Ų57.539%0.38531%0.306SS..Hα-helixtrans-56.2-36.5172.7-61.1-175-170.7-179.35.6112E68 C71 M134E68-R130 IonicContact OE1-CZ 3.78Å; E68-R130 IonicContact OE1-NE 2.94Å; E68-R130 IonicContact OE1-NH1 3.76Å; E68-R130 PolarHBondContact OE1-NH1 3.23Å; C71-R130 HydrophobicContact CB-CG 4.49Å; R130-M134 VanDerWaalsContact O-CB 3.29Å; R130-M134 WeakPolarHBondContact O-CB 3.21Å; R130-M134 WeakPolarHBondContact O-CG 3.42Å; R130-M134 PolarHBondContact O-N 2.96Å
131E94.3Very high93Very high163 Ų16362.3 Ų62.376%0.76234%0.339SS*.Hα-helixtrans-66.3-46.2179.8-65.9177.4-176.400111.3T129 M134 K135T129-E131 PolarHBondContact O-N 2.87Å; E131-M134 PolarHBondContact O-N 3.33Å; E131-K135 WeakPolarHBondContact O-CB 3.2Å; E131-K135 PolarHBondContact O-N 3.29Å
132E95.7Very high92.3Very high22 Ų2265.4 Ų65.410%0.10335%0.353CS..Hα-helixtrans-61.6-46175.1-76.4156.1154.500111.8N123 T129 K135 G136N123-E132 VanDerWaalsContact CG-OE1 3.27Å; N123-E132 PolarHBondContact ND2-OE1 2.93Å; T129-E132 WeakPolarHBondContact CB-OE2 3.42Å; T129-E132 WeakPolarHBondContact CG2-OE2 3.46Å; T129-E132 PolarHBondContact N-OE2 3.16Å; T129-E132 PolarHBondContact O-N 3.22Å; T129-E132 WeakPolarHBondContact OG1-CG 3.15Å; T129-E132 PolarHBondContact OG1-N 3.38Å; T129-E132 PolarHBondContact OG1-OE2 3.35Å; E132-K135 PolarHBondContact O-N 3.04Å; E132-G136 PolarHBondContact O-N 3.47Å
133F94Very high91.8Very high1 Ų159.9 Ų59.90%0.00433%0.328CS..Hα-helixtrans-62-47.9177.9-174.6-84.4000112A70 C71 Y74 I82 M120 L128 T129 C137 L147A70-F133 HydrophobicContact CB-CE1 4.11Å; A70-F133 HydrophobicContact CB-CZ 4.32Å; C71-F133 WeakPolarHBondContact SG-CD1 3.47Å; Y74-F133 AromaticContact CD2-CE2 3.86Å; Y74-F133 HydrophobicContact CD2-CE2 3.86Å; Y74-F133 AromaticContact CD2-CZ 3.76Å; Y74-F133 HydrophobicContact CD2-CZ 3.76Å; Y74-F133 HydrophobicContact CE2-CE2 4.23Å; Y74-F133 HydrophobicContact CE2-CZ 4Å; Y74-F133 HydrophobicContact CG-CE2 4.29Å; I82-F133 HydrophobicContact CD1-CB 4.26Å; I82-F133 HydrophobicContact CD1-CD2 3.46Å; I82-F133 VanDerWaalsContact CD1-CD2 3.46Å; I82-F133 HydrophobicContact CD1-CE2 3.96Å; I82-F133 HydrophobicContact CD1-CG 3.96Å; M120-F133 HydrophobicContact SD-CD2 4.09Å; L128-F133 HydrophobicContact CD1-CD2 4.5Å; T129-F133 PolarHBondContact O-N 2.88Å; F133-C137 VanDerWaalsContact CE1-SG 3.6Å; F133-C137 WeakPolarHBondContact O-CB 3.44Å; F133-C137 PolarHBondContact O-N 3.29Å; F133-C137 PolarHBondContact O-SG 2.8Å; F133-L147 HydrophobicContact CE2-CD1 3.99Å; F133-L147 HydrophobicContact CE2-CD2 4.16Å; F133-L147 HydrophobicContact CZ-CD1 3.74Å; F133-L147 HydrophobicContact CZ-CD2 4.44Å
134M92.2Very high91.3Very high49 Ų4960 Ų6024%0.24132%0.324CS..Hα-helixtrans-63.5-44.9179.1-74.8-176.774.900111.4E64 L67 R130 E131 C137 M138E64-M134 HydrophobicContact CB-CE 4.12Å; E64-M134 HydrophobicContact CG-CE 4.39Å; L67-M134 HydrophobicContact CB-CG 4.37Å; R130-M134 VanDerWaalsContact O-CB 3.29Å; R130-M134 WeakPolarHBondContact O-CB 3.21Å; R130-M134 WeakPolarHBondContact O-CG 3.42Å; R130-M134 PolarHBondContact O-N 2.96Å; E131-M134 PolarHBondContact O-N 3.33Å; M134-C137 PolarHBondContact O-N 3.37Å; M134-M138 VanDerWaalsContact O-CB 3.3Å; M134-M138 WeakPolarHBondContact O-CB 3.03Å; M134-M138 WeakPolarHBondContact O-CG 3.32Å; M134-M138 PolarHBondContact O-N 2.91Å
135K92.6Very high90.7Very high76 Ų7658 Ų5833%0.3330%0.301SS..Hα-helixtrans-60.2-51.9177.5-175.2-172.1175.6-163.20110.8E122 E131 E132 C137 M138 E139E122-K135 WeakPolarHBondContact OE1-CE 3.29Å; E122-K135 IonicContact OE1-NZ 2.68Å; E122-K135 PolarHBondContact OE1-NZ 3.14Å; E122-K135 IonicContact OE2-NZ 2.82Å; E122-K135 PolarHBondContact OE2-NZ 3.31Å; E131-K135 WeakPolarHBondContact O-CB 3.2Å; E131-K135 PolarHBondContact O-N 3.29Å; E132-K135 PolarHBondContact O-N 3.04Å; K135-C137 VanDerWaalsContact C-N 3.32Å; K135-C137 PolarHBondContact O-N 2.89Å; K135-M138 PolarHBondContact O-N 3.23Å; K135-M138 VanDerWaalsContact O-N 3.12Å; K135-E139 VanDerWaalsContact CE-OE1 3.24Å; K135-E139 WeakPolarHBondContact CE-OE1 3.43Å; K135-E139 VanDerWaalsContact CE-OE2 3.29Å; K135-E139 WeakPolarHBondContact CE-OE2 3.27Å; K135-E139 HydrophobicContact CG-CG 4.2Å; K135-E139 WeakPolarHBondContact CG-OE1 3.48Å; K135-E139 WeakPolarHBondContact O-CB 3.22Å; K135-E139 WeakPolarHBondContact O-CG 3.47Å; K135-E139 PolarHBondContact O-N 3Å
136G91.8Very high89.6Confident9 Ų954.3 Ų54.39%0.09328%0.281CS..Hα-helixtrans-56.7-43.7178.700000112.8E132 M138 D140E132-G136 PolarHBondContact O-N 3.47Å; G136-M138 PolarHBondContact O-N 3.02Å; G136-D140 WeakPolarHBondContact O-CB 3.5Å; G136-D140 PolarHBondContact O-N 3.35Å; G136-D140 VanDerWaalsContact O-N 3.17Å
137C90.2Very high88.5Confident4 Ų453.4 Ų53.43%0.02727%0.269CS..Hα-helixtrans-70.9-27.9178.2-67.80000114.6L67 F133 M134 K135 L147L67-C137 HydrophobicContact CD1-CB 4.01Å; L67-C137 HydrophobicContact CD2-CB 3.53Å; L67-C137 HydrophobicContact CG-CB 4.44Å; F133-C137 VanDerWaalsContact CE1-SG 3.6Å; F133-C137 WeakPolarHBondContact O-CB 3.44Å; F133-C137 PolarHBondContact O-N 3.29Å; F133-C137 PolarHBondContact O-SG 2.8Å; M134-C137 PolarHBondContact O-N 3.37Å; K135-C137 VanDerWaalsContact C-N 3.32Å; K135-C137 PolarHBondContact O-N 2.89Å; C137-L147 WeakPolarHBondContact SG-CD1 3.41Å
138M87.7Confident87.2Confident99 Ų9956.8 Ų56.849%0.48829%0.285SS..Hα-helixtrans-86.7-34.6-178.1-72.8-69-78.100112.2E64 L67 M134 K135 G136E64-M138 WeakPolarHBondContact OE1-CE 3.15Å; L67-M138 HydrophobicContact CD1-CG 3.5Å; L67-M138 HydrophobicContact CD1-SD 3.49Å; L67-M138 WeakPolarHBondContact CD1-SD 3.44Å; M134-M138 VanDerWaalsContact O-CB 3.3Å; M134-M138 WeakPolarHBondContact O-CB 3.03Å; M134-M138 WeakPolarHBondContact O-CG 3.32Å; M134-M138 PolarHBondContact O-N 2.91Å; K135-M138 PolarHBondContact O-N 3.23Å; K135-M138 VanDerWaalsContact O-N 3.12Å; G136-M138 PolarHBondContact O-N 3.02Å
139E88.3Confident85.6Confident141 Ų14157.5 Ų57.566%0.65929%0.292SS*.Hα-helixtrans-85-26.9-178.4-67.3-176.1176.600112.7K135K135-E139 VanDerWaalsContact CE-OE1 3.24Å; K135-E139 WeakPolarHBondContact CE-OE1 3.43Å; K135-E139 VanDerWaalsContact CE-OE2 3.29Å; K135-E139 WeakPolarHBondContact CE-OE2 3.27Å; K135-E139 HydrophobicContact CG-CG 4.2Å; K135-E139 WeakPolarHBondContact CG-OE1 3.48Å; K135-E139 WeakPolarHBondContact O-CB 3.22Å; K135-E139 WeakPolarHBondContact O-CG 3.47Å; K135-E139 PolarHBondContact O-N 3Å
140D87.2Confident84Confident53 Ų5360.3 Ų60.328%0.28331%0.305SS..  trans-125.6106-175.6-170.3-31.3000111.7G136 Q142 L143 K144G136-D140 WeakPolarHBondContact O-CB 3.5Å; G136-D140 PolarHBondContact O-N 3.35Å; G136-D140 VanDerWaalsContact O-N 3.17Å; D140-Q142 PolarHBondContact O-N 2.94Å; D140-Q142 VanDerWaalsContact OD1-CA 3.27Å; D140-Q142 WeakPolarHBondContact OD1-CA 3.01Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.48Å; D140-Q142 PolarHBondContact OD1-N 2.88Å; D140-L143 HydrophobicContact CB-CB 3.91Å; D140-L143 HydrophobicContact CB-CD1 3.8Å; D140-L143 HydrophobicContact CB-CG 3.83Å; D140-L143 PolarHBondContact O-N 3.49Å; D140-L143 PolarHBondContact OD1-N 3.3Å; D140-K144 PolarHBondContact O-N 3.44Å; D140-K144 VanDerWaalsContact O-N 3.11Å
141S84.4Confident81.9Confident102 Ų10260 Ų6071%0.71331%0.311SS*.Hα-helixtrans-64.8-28.2176.654.30000113.2A145S141-A145 WeakPolarHBondContact O-CB 3.44Å; S141-A145 PolarHBondContact O-N 3.18Å
142Q82.4Confident79.4Confident81 Ų8155 Ų5538%0.37929%0.293SS..Hα-helixtrans-71.7-42.7176.6-174.8-178.90.300110.2D140 K144 A145 M146 P152D140-Q142 PolarHBondContact O-N 2.94Å; D140-Q142 VanDerWaalsContact OD1-CA 3.27Å; D140-Q142 WeakPolarHBondContact OD1-CA 3.01Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.48Å; D140-Q142 PolarHBondContact OD1-N 2.88Å; Q142-K144 VanDerWaalsContact C-N 3.3Å; Q142-K144 PolarHBondContact O-N 3.34Å; Q142-A145 PolarHBondContact O-N 3.24Å; Q142-M146 HydrophobicContact CG-CE 3.86Å; Q142-M146 HydrophobicContact CG-CG 4.46Å; Q142-M146 HydrophobicContact CG-SD 4.21Å; Q142-M146 VanDerWaalsContact NE2-CE 3.3Å; Q142-M146 WeakPolarHBondContact O-CB 3.33Å; Q142-M146 WeakPolarHBondContact O-CG 3.33Å; Q142-M146 PolarHBondContact O-N 3.29Å; Q142-P152 HydrophobicContact CG-CB 4.28Å; Q142-P152 HydrophobicContact CG-CG 4.14Å
143L80.7Confident76.8Confident5 Ų560.8 Ų60.83%0.02633%0.329CS..Hα-helixtrans-58.3-44.8172.5-77.6-177.4000111.7I116 K119 M120 D140 A145 M146 L147I116-L143 HydrophobicContact CG2-CD2 4.46Å; K119-L143 HydrophobicContact CB-CD1 4.04Å; K119-L143 HydrophobicContact CB-CD2 3.88Å; K119-L143 HydrophobicContact CD-CD2 3.46Å; K119-L143 VanDerWaalsContact CD-CD2 3.46Å; K119-L143 HydrophobicContact CD-CG 4.26Å; K119-L143 HydrophobicContact CG-CD2 4.33Å; M120-L143 HydrophobicContact CE-CB 3.92Å; M120-L143 HydrophobicContact CE-CD1 3.89Å; M120-L143 HydrophobicContact CE-CD2 4.44Å; M120-L143 HydrophobicContact CE-CG 4.32Å; M120-L143 HydrophobicContact CG-CD1 4.02Å; D140-L143 HydrophobicContact CB-CB 3.91Å; D140-L143 HydrophobicContact CB-CD1 3.8Å; D140-L143 HydrophobicContact CB-CG 3.83Å; D140-L143 PolarHBondContact O-N 3.49Å; D140-L143 PolarHBondContact OD1-N 3.3Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.8Å; L143-M146 HydrophobicContact CD2-SD 4.33Å; L143-M146 WeakPolarHBondContact O-CB 3.14Å; L143-M146 PolarHBondContact O-N 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.37Å
144K83Confident74.2Confident92 Ų9273.2 Ų73.240%0.439%0.387SS..Hα-helixtrans-60.2-42.6175.9-174.3178.5179.4175.70112.5D140 Q142 L148D140-K144 PolarHBondContact O-N 3.44Å; D140-K144 VanDerWaalsContact O-N 3.11Å; Q142-K144 VanDerWaalsContact C-N 3.3Å; Q142-K144 PolarHBondContact O-N 3.34Å; K144-L148 WeakPolarHBondContact O-CG 3.45Å; K144-L148 PolarHBondContact O-N 3.08Å
145A82.2Confident73.3Confident18 Ų1874.4 Ų74.415%0.14940%0.395CS..Hα-helixtrans-66.4-43.4176.400000111.7S141 Q142 L143 L147 L148 A149 D150S141-A145 WeakPolarHBondContact O-CB 3.44Å; S141-A145 PolarHBondContact O-N 3.18Å; Q142-A145 PolarHBondContact O-N 3.24Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.8Å; A145-L147 VanDerWaalsContact C-N 3.26Å; A145-L147 PolarHBondContact O-N 3Å; A145-L148 CarbonylContact O-C 3.55Å; A145-L148 WeakPolarHBondContact O-CA 3.37Å; A145-L148 PolarHBondContact O-N 2.96Å; A145-A149 PolarHBondContact O-N 3.42Å; A145-D150 CarbonylContact C-O 3.46Å; A145-D150 WeakPolarHBondContact CB-O 3.23Å; A145-D150 PolarHBondContact O-N 3.29Å; A145-D150 VanDerWaalsContact O-N 3.17Å; A145-D150 VanDerWaalsContact O-O 3.1Å
146M74Confident72.2Confident12 Ų1274.3 Ų74.36%0.05940%0.398CS..Hα-helixtrans-57.1-37.6177.1-76.6173.5167.100112.7E115 I116 Q142 L143 A149E115-M146 WeakPolarHBondContact OE1-CE 3.39Å; I116-M146 HydrophobicContact CD1-CB 3.91Å; I116-M146 HydrophobicContact CG1-CB 4.02Å; I116-M146 HydrophobicContact CG1-SD 4.49Å; Q142-M146 HydrophobicContact CG-CE 3.86Å; Q142-M146 HydrophobicContact CG-CG 4.46Å; Q142-M146 HydrophobicContact CG-SD 4.21Å; Q142-M146 VanDerWaalsContact NE2-CE 3.3Å; Q142-M146 WeakPolarHBondContact O-CB 3.33Å; Q142-M146 WeakPolarHBondContact O-CG 3.33Å; Q142-M146 PolarHBondContact O-N 3.29Å; L143-M146 HydrophobicContact CD2-SD 4.33Å; L143-M146 WeakPolarHBondContact O-CB 3.14Å; L143-M146 PolarHBondContact O-N 3.32Å; M146-A149 PolarHBondContact O-N 3.19Å
147L74.6Confident71.2Confident12 Ų1277.9 Ų77.96%0.06342%0.415CS..Hα-helixtrans-66.5-35.4174.5-73.7168.7000112.9Y74 I116 M120 F133 C137 L143 A145 A149Y74-L147 HydrophobicContact CE1-CD2 4.12Å; Y74-L147 HydrophobicContact CE2-CD2 3.94Å; Y74-L147 VanDerWaalsContact OH-CD2 3.27Å; Y74-L147 WeakPolarHBondContact OH-CD2 3.36Å; Y74-L147 PolarHBondContact OH-O 3.46Å; I116-L147 HydrophobicContact CD1-CD2 4.16Å; I116-L147 HydrophobicContact CD1-CG 4.44Å; I116-L147 HydrophobicContact CG2-CD2 3.99Å; I116-L147 HydrophobicContact CG2-CG 4.42Å; M120-L147 HydrophobicContact CE-CD1 4Å; F133-L147 HydrophobicContact CE2-CD1 3.99Å; F133-L147 HydrophobicContact CE2-CD2 4.16Å; F133-L147 HydrophobicContact CZ-CD1 3.74Å; F133-L147 HydrophobicContact CZ-CD2 4.44Å; C137-L147 WeakPolarHBondContact SG-CD1 3.41Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 3.37Å; A145-L147 VanDerWaalsContact C-N 3.26Å; A145-L147 PolarHBondContact O-N 3Å; L147-A149 PolarHBondContact O-N 3.29Å
148L69Low70Confident107 Ų10782.3 Ų82.356%0.5644%0.438SS*.THydrogen-bonded Turntrans-80.8-1.7179.2-63.5175.5000112.9K144 A145 D150K144-L148 WeakPolarHBondContact O-CG 3.45Å; K144-L148 PolarHBondContact O-N 3.08Å; A145-L148 CarbonylContact O-C 3.55Å; A145-L148 WeakPolarHBondContact O-CA 3.37Å; A145-L148 PolarHBondContact O-N 2.96Å; L148-D150 HydrophobicContact CB-CB 4.5Å; L148-D150 PolarHBondContact O-N 3.46Å
149A64.2Low68.9Low16 Ų1681.3 Ų81.313%0.13244%0.435CS..THydrogen-bonded Turntrans54.323.4-168.600000113.4I94 Y95 L98 A145 M146 L147I94-A149 HydrophobicContact CG2-CB 3.58Å; Y95-A149 HydrophobicContact CE1-CB 4.43Å; L98-A149 HydrophobicContact CD1-CB 3.84Å; A145-A149 PolarHBondContact O-N 3.42Å; M146-A149 PolarHBondContact O-N 3.19Å; L147-A149 PolarHBondContact O-N 3.29Å
150D62.7Low67.6Low102 Ų10277.3 Ų77.355%0.54542%0.42SS..PPolyproline II helixtrans-88126.8167.2-78.6-27.3000107.5A145 L148A145-D150 CarbonylContact C-O 3.46Å; A145-D150 WeakPolarHBondContact CB-O 3.23Å; A145-D150 PolarHBondContact O-N 3.29Å; A145-D150 VanDerWaalsContact O-N 3.17Å; A145-D150 VanDerWaalsContact O-O 3.1Å; L148-D150 HydrophobicContact CB-CB 4.5Å; L148-D150 PolarHBondContact O-N 3.46Å
151D49.4Very low66.3Low95 Ų9579 Ų7951%0.50843%0.429SS..PPolyproline II helixtrans-65.4139.1171.2-74.7-39.1000109.5V153D151-V153 PolarHBondContact O-N 2.99Å
152P41.6Very low64.9Low59 Ų5977.2 Ų77.238%0.38341%0.407SS..PPolyproline II helixtrans-58.8128.1172.624.4-32000109.3Q142 E154Q142-P152 HydrophobicContact CG-CB 4.28Å; Q142-P152 HydrophobicContact CG-CG 4.14Å; P152-E154 PolarHBondContact O-N 2.71Å
153V41.5Very low63.4Low144 Ų14476.9 Ų76.987%0.87341%0.41SS*.PPolyproline II helixtrans-67.2119.2169.5-173.90000107.2D151D151-V153 PolarHBondContact O-N 2.99Å
154E38Very low61.8Low261 Ų26183.5 Ų83.5100%1.2245%0.445SS*.  trans-55.10171.8-71.6-170.3159.900113.1P152P152-E154 PolarHBondContact O-N 2.71Å

Retrieved 154 of 154 residues in 36.3 ms (Link to these results)

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